smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1SCC[N@@H+](Cc2ccc(Cl)cc2O)[C@@H]1C ZINC001474369533 937855565 /nfs/dbraw/zinc/85/55/65/937855565.db2.gz MNPIWEDAZZRZJP-NXEZZACHSA-N 1 1 271.813 3.371 20 10 CGCDMO COc1ccc(C[N@@H+](C)CCc2ccc(F)cc2)c(O)c1 ZINC000092162172 926802973 /nfs/dbraw/zinc/80/29/73/926802973.db2.gz YLSJCSDIAGEEEC-UHFFFAOYSA-N 1 1 289.350 3.214 20 10 CGCDMO C[C@@H](C[NH2+]Cc1cc(F)c(F)cc1O)CC(F)F ZINC001474595352 937207160 /nfs/dbraw/zinc/20/71/60/937207160.db2.gz SMENVPKAXSCGGB-SSDOTTSWSA-N 1 1 265.250 3.051 20 10 CGCDMO COc1ccc2c(c1)CC[N@H+](Cc1ccc(C)cc1O)CC2 ZINC001462108889 937617927 /nfs/dbraw/zinc/61/79/27/937617927.db2.gz BKKONCMOEBCPMD-UHFFFAOYSA-N 1 1 297.398 3.310 20 10 CGCDMO C[C@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1c(O)cccc1F ZINC001334031659 932763010 /nfs/dbraw/zinc/76/30/10/932763010.db2.gz DXZOLAQRQSKPGS-QEYWKRMJSA-N 1 1 271.282 3.226 20 10 CGCDMO C[C@H]1CC2(C[N@H+]1Cc1ccc(Cl)cc1O)CCOCC2 ZINC001462370313 937636014 /nfs/dbraw/zinc/63/60/14/937636014.db2.gz YGAPWUBDGIOTDM-LBPRGKRZSA-N 1 1 295.810 3.437 20 10 CGCDMO CCCOc1ccc(CNCC[N@@H+]2CCC[C@H]2C)cc1C ZINC001308292028 933090473 /nfs/dbraw/zinc/09/04/73/933090473.db2.gz CPXUURGWIDYYTI-MRXNPFEDSA-N 1 1 290.451 3.358 20 10 CGCDMO CCCOc1ccc(CNCC[N@H+]2CCC[C@H]2C)cc1C ZINC001308292028 933090475 /nfs/dbraw/zinc/09/04/75/933090475.db2.gz CPXUURGWIDYYTI-MRXNPFEDSA-N 1 1 290.451 3.358 20 10 CGCDMO C[C@H]1CCC[C@H]1C[NH2+]Cc1cc(F)c(F)cc1O ZINC001308716143 933164861 /nfs/dbraw/zinc/16/48/61/933164861.db2.gz QFLHFXTUIOUVNE-UWVGGRQHSA-N 1 1 255.308 3.196 20 10 CGCDMO CC[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H]1CCOC1 ZINC001320479792 934053228 /nfs/dbraw/zinc/05/32/28/934053228.db2.gz ARWADEVHZCTPOD-KRWDZBQOSA-N 1 1 288.435 3.145 20 10 CGCDMO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2O)C1 ZINC001325314290 934903518 /nfs/dbraw/zinc/90/35/18/934903518.db2.gz WPIKSCBDICKTID-MVWJERBFSA-N 1 1 269.772 3.264 20 10 CGCDMO CC[N@H+](Cc1ccc(N)cc1)C[C@H](O)c1ccc(C)cc1 ZINC001336116592 936175784 /nfs/dbraw/zinc/17/57/84/936175784.db2.gz GQTJAMLXGJRGGA-SFHVURJKSA-N 1 1 284.403 3.133 20 10 CGCDMO Nc1ccc(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC001336120443 936176788 /nfs/dbraw/zinc/17/67/88/936176788.db2.gz ZAORSBLPRMDVCK-LBPRGKRZSA-N 1 1 288.288 3.135 20 10 CGCDMO CC[N@H+](Cc1c(C)cc(OC)cc1O)CC(C)C ZINC001474381732 937856172 /nfs/dbraw/zinc/85/61/72/937856172.db2.gz OHPVMIHFYKZNFJ-UHFFFAOYSA-N 1 1 251.370 3.187 20 10 CGCDMO CCC[C@]1(COC)CCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC001474478486 937862499 /nfs/dbraw/zinc/86/24/99/937862499.db2.gz HBORUBMTEOBICV-MRXNPFEDSA-N 1 1 299.361 3.452 20 10 CGCDMO CCC[C@]1(COC)CCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC001474478486 937862501 /nfs/dbraw/zinc/86/25/01/937862501.db2.gz HBORUBMTEOBICV-MRXNPFEDSA-N 1 1 299.361 3.452 20 10 CGCDMO CCOC[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001474574710 937868091 /nfs/dbraw/zinc/86/80/91/937868091.db2.gz LGBOXWSANKGWIT-LBPRGKRZSA-N 1 1 285.334 3.061 20 10 CGCDMO CCOC[C@@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001474574710 937868093 /nfs/dbraw/zinc/86/80/93/937868093.db2.gz LGBOXWSANKGWIT-LBPRGKRZSA-N 1 1 285.334 3.061 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@H](C)OCC23CCC3)cc1Cl ZINC001474612714 937870258 /nfs/dbraw/zinc/87/02/58/937870258.db2.gz PLFXYMIURONESX-LBPRGKRZSA-N 1 1 295.810 3.497 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@H](C)OCC23CCC3)cc1Cl ZINC001474612714 937870260 /nfs/dbraw/zinc/87/02/60/937870260.db2.gz PLFXYMIURONESX-LBPRGKRZSA-N 1 1 295.810 3.497 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@H](C(C)(C)O)C2)c1 ZINC001474697978 937875612 /nfs/dbraw/zinc/87/56/12/937875612.db2.gz HNIFJRRNMMAKNO-INIZCTEOSA-N 1 1 291.435 3.499 20 10 CGCDMO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1c(O)cccc1F ZINC001474716233 937876594 /nfs/dbraw/zinc/87/65/94/937876594.db2.gz FYZWBKIDTXVCMO-LSDHHAIUSA-N 1 1 281.371 3.215 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCCO[C@@H](C)C2)c1 ZINC001560683846 938269811 /nfs/dbraw/zinc/26/98/11/938269811.db2.gz ORPMABRZCNGSHN-ZDUSSCGKSA-N 1 1 263.381 3.126 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C)CCS1 ZINC001560685321 938269974 /nfs/dbraw/zinc/26/99/74/938269974.db2.gz PSHPRPMFVWJGPH-INIZCTEOSA-N 1 1 278.465 3.388 20 10 CGCDMO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092874801 345860553 /nfs/dbraw/zinc/86/05/53/345860553.db2.gz URMXDUFBTRNPFG-CRAIPNDOSA-N 1 1 288.435 3.144 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](C3CC3)C2)cc1OC ZINC000288697904 371743844 /nfs/dbraw/zinc/74/38/44/371743844.db2.gz UICLSVLBJLRKIC-ZDUSSCGKSA-N 1 1 291.391 3.031 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1CCCSC1 ZINC000293765391 372474746 /nfs/dbraw/zinc/47/47/46/372474746.db2.gz ZMBSJTMPCXJYBR-VIFPVBQESA-N 1 1 275.776 3.170 20 10 CGCDMO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000293924041 372526272 /nfs/dbraw/zinc/52/62/72/372526272.db2.gz GXZMBJPSUSNYSI-SFHVURJKSA-N 1 1 297.398 3.406 20 10 CGCDMO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000297573497 373274685 /nfs/dbraw/zinc/27/46/85/373274685.db2.gz GUZVBVGXYGFRSW-CQSZACIVSA-N 1 1 298.434 3.136 20 10 CGCDMO CC[N@@H+](CCc1nccs1)Cc1cc(F)ccc1O ZINC000180221933 373978598 /nfs/dbraw/zinc/97/85/98/373978598.db2.gz OGJOIDPLVUMLRQ-UHFFFAOYSA-N 1 1 280.368 3.052 20 10 CGCDMO CCC[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC000180318881 373991122 /nfs/dbraw/zinc/99/11/22/373991122.db2.gz SUYJRQDBMMPYQU-LBPRGKRZSA-N 1 1 269.772 3.047 20 10 CGCDMO CCC[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC000180318881 373991126 /nfs/dbraw/zinc/99/11/26/373991126.db2.gz SUYJRQDBMMPYQU-LBPRGKRZSA-N 1 1 269.772 3.047 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245848055 376918101 /nfs/dbraw/zinc/91/81/01/376918101.db2.gz LSHQUSAVYIGHFI-FZMZJTMJSA-N 1 1 281.783 3.047 20 10 CGCDMO Cc1[nH+]ccn1CCSc1ncc(-c2ccccc2)n1C ZINC000270626323 378377871 /nfs/dbraw/zinc/37/78/71/378377871.db2.gz FJPPSDOSJBVPFW-UHFFFAOYSA-N 1 1 298.415 3.384 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C)cc2)c1 ZINC000273364905 378742335 /nfs/dbraw/zinc/74/23/35/378742335.db2.gz DXSQUZWOTHSVKQ-CYBMUJFWSA-N 1 1 299.370 3.338 20 10 CGCDMO CCCC[N@@H+](CCCCCO)Cc1ccccc1O ZINC000282392344 379910810 /nfs/dbraw/zinc/91/08/10/379910810.db2.gz GXQPDEJTZWYBHY-UHFFFAOYSA-N 1 1 265.397 3.157 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H]1CCCN1CC)c1ccc(F)cc1O ZINC000285685516 380153453 /nfs/dbraw/zinc/15/34/53/380153453.db2.gz OESWJATWTAELAV-DZGCQCFKSA-N 1 1 280.387 3.056 20 10 CGCDMO Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3c[nH]nc32)c(O)c1C ZINC000363865390 382258600 /nfs/dbraw/zinc/25/86/00/382258600.db2.gz NDIWTQCLLHPRQC-WFASDCNBSA-N 1 1 285.391 3.460 20 10 CGCDMO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)cc1 ZINC000368105562 382365477 /nfs/dbraw/zinc/36/54/77/382365477.db2.gz UDYAHSXMSPDCHZ-DZGCQCFKSA-N 1 1 298.434 3.074 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@H]2C2CCC2)c1O ZINC000092781095 392233026 /nfs/dbraw/zinc/23/30/26/392233026.db2.gz WJRCMUYEMUGKQX-AWEZNQCLSA-N 1 1 261.365 3.165 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1C ZINC000121211269 392410689 /nfs/dbraw/zinc/41/06/89/392410689.db2.gz JNUGQZMJLGZTGU-AWEZNQCLSA-N 1 1 285.391 3.112 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000372176460 392591136 /nfs/dbraw/zinc/59/11/36/392591136.db2.gz SESAFGJLLRIVJM-HOTGVXAUSA-N 1 1 297.398 3.404 20 10 CGCDMO CCN(CC)c1ccc(CNCCC[NH+]2CCCC2)cc1 ZINC000020129182 171017542 /nfs/dbraw/zinc/01/75/42/171017542.db2.gz LXFHEZKAKVVCOU-UHFFFAOYSA-N 1 1 289.467 3.108 20 10 CGCDMO C[C@H]([NH2+]CCCN(C)C)c1ccc(N2CCCCC2)cc1 ZINC000151951807 261057390 /nfs/dbraw/zinc/05/73/90/261057390.db2.gz BJZRDLLUAFHELZ-INIZCTEOSA-N 1 1 289.467 3.279 20 10 CGCDMO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(F)cc1O ZINC000184944450 262034989 /nfs/dbraw/zinc/03/49/89/262034989.db2.gz QECMIIFZNDSZLA-HWPZZCPQSA-N 1 1 293.313 3.055 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc(F)cc1O ZINC000185121594 262043017 /nfs/dbraw/zinc/04/30/17/262043017.db2.gz BNIXNPSBPLJQRG-SNVBAGLBSA-N 1 1 293.313 3.014 20 10 CGCDMO C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccc(F)cc1O ZINC000185327879 262050593 /nfs/dbraw/zinc/05/05/93/262050593.db2.gz ANNFZSGWTDYOSA-BZNIZROVSA-N 1 1 281.371 3.123 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)CCN(C)C)c1ccc(C)cc1O ZINC000280058453 522686882 /nfs/dbraw/zinc/68/68/82/522686882.db2.gz KENXMRMYQGMEJB-ZFWWWQNUSA-N 1 1 264.413 3.082 20 10 CGCDMO CC(C)[N@H+](Cc1ccon1)Cc1ccc(N(C)C)cc1 ZINC000265899731 328167073 /nfs/dbraw/zinc/16/70/73/328167073.db2.gz HSFIGMWBJXLXCM-UHFFFAOYSA-N 1 1 273.380 3.151 20 10 CGCDMO CC(C)[N@@H+](Cc1ccon1)Cc1ccc(N(C)C)cc1 ZINC000265899731 328167075 /nfs/dbraw/zinc/16/70/75/328167075.db2.gz HSFIGMWBJXLXCM-UHFFFAOYSA-N 1 1 273.380 3.151 20 10 CGCDMO Cc1cccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)c1O ZINC000289562247 328255482 /nfs/dbraw/zinc/25/54/82/328255482.db2.gz RWCXUDIGCYQSSR-OAHLLOKOSA-N 1 1 271.364 3.151 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000377835314 329031211 /nfs/dbraw/zinc/03/12/11/329031211.db2.gz SKFGOSHKAYMXNQ-HZPDHXFCSA-N 1 1 289.419 3.339 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)C(C)(C)CC)c1O ZINC000211414650 521331260 /nfs/dbraw/zinc/33/12/60/521331260.db2.gz OCXZYSYDKHPUFY-UHFFFAOYSA-N 1 1 251.370 3.411 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2C)c1 ZINC000273428396 522137485 /nfs/dbraw/zinc/13/74/85/522137485.db2.gz UZIZTIJNINLZRD-ZDUSSCGKSA-N 1 1 299.370 3.338 20 10 CGCDMO COCc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)o1 ZINC000269379050 522970899 /nfs/dbraw/zinc/97/08/99/522970899.db2.gz WYZVEATZBXNCPB-UHFFFAOYSA-N 1 1 288.391 3.124 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000278423275 524744435 /nfs/dbraw/zinc/74/44/35/524744435.db2.gz RXEJSTCVCZJVSC-JTQLQIEISA-N 1 1 289.297 3.175 20 10 CGCDMO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cccc(Cl)c1O ZINC000289866973 524904771 /nfs/dbraw/zinc/90/47/71/524904771.db2.gz VQWGWIJFCKPPHK-JSGCOSHPSA-N 1 1 294.826 3.104 20 10 CGCDMO COc1cccc(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)c1O ZINC000291523988 525932531 /nfs/dbraw/zinc/93/25/31/525932531.db2.gz JKZNHWMVAHLEIG-HNNXBMFYSA-N 1 1 261.365 3.021 20 10 CGCDMO Cc1csc(C[NH2+][C@@H](C)c2ccc(F)cc2O)n1 ZINC000062747902 526359771 /nfs/dbraw/zinc/35/97/71/526359771.db2.gz DRDKOYRPGDVJSF-VIFPVBQESA-N 1 1 266.341 3.147 20 10 CGCDMO Oc1cccc(Cl)c1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000129995666 526362398 /nfs/dbraw/zinc/36/23/98/526362398.db2.gz XIWOMEQVUPQNPQ-LLVKDONJSA-N 1 1 281.783 3.047 20 10 CGCDMO CCCC[C@@H](C(=O)OC)[N@@H+](CCC)Cc1ccccc1O ZINC000743870584 572694540 /nfs/dbraw/zinc/69/45/40/572694540.db2.gz YEOHTVLXLVCOIX-HNNXBMFYSA-N 1 1 293.407 3.336 20 10 CGCDMO C[C@@H]([NH2+]CC(C)(C)CO)c1cc(Cl)c(Cl)cc1O ZINC000774263543 627970003 /nfs/dbraw/zinc/97/00/03/627970003.db2.gz AQEUFXYLQWUHQB-MRVPVSSYSA-N 1 1 292.206 3.368 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](CC(C)C)C2)cc1OC ZINC000160329153 617969136 /nfs/dbraw/zinc/96/91/36/617969136.db2.gz OZFSPOFGJRGFBF-ZDUSSCGKSA-N 1 1 293.407 3.277 20 10 CGCDMO COC[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160193982 617615500 /nfs/dbraw/zinc/61/55/00/617615500.db2.gz PGAOLWWMAMMAFC-AWEZNQCLSA-N 1 1 289.419 3.129 20 10 CGCDMO C[C@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(N(C)C)cc1 ZINC000247146637 617838333 /nfs/dbraw/zinc/83/83/33/617838333.db2.gz REKWXJJEGQCISP-QILLFSRXSA-N 1 1 289.467 3.276 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C)C2)cc1 ZINC000158129425 618616960 /nfs/dbraw/zinc/61/69/60/618616960.db2.gz ZNSAIRQVKJEYQE-CVEARBPZSA-N 1 1 289.467 3.135 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc(N(C)C)cc1 ZINC000158180050 618619810 /nfs/dbraw/zinc/61/98/10/618619810.db2.gz LHADGTQBCDQMAF-MAUKXSAKSA-N 1 1 289.467 3.135 20 10 CGCDMO C[C@H]([NH2+]CCF)c1cc(Cl)c(Cl)cc1O ZINC000309160215 618642905 /nfs/dbraw/zinc/64/29/05/618642905.db2.gz YQJULLUATUFXAT-LURJTMIESA-N 1 1 252.116 3.319 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CC[C@@H]2C)c1 ZINC000309779333 618768532 /nfs/dbraw/zinc/76/85/32/618768532.db2.gz MNINQNBSAASOFZ-JOYOIKCWSA-N 1 1 284.197 3.351 20 10 CGCDMO C[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc(F)cc1O ZINC000185095600 625299768 /nfs/dbraw/zinc/29/97/68/625299768.db2.gz GRPZEPOXVRURGI-QFYYESIMSA-N 1 1 293.313 3.055 20 10 CGCDMO CC(C)(C)[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000163868960 618891700 /nfs/dbraw/zinc/89/17/00/618891700.db2.gz PTNVGHDMOJYAPW-GFCCVEGCSA-N 1 1 251.345 3.399 20 10 CGCDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000163868960 618891703 /nfs/dbraw/zinc/89/17/03/618891703.db2.gz PTNVGHDMOJYAPW-GFCCVEGCSA-N 1 1 251.345 3.399 20 10 CGCDMO CSCCCC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000168783819 618914198 /nfs/dbraw/zinc/91/41/98/618914198.db2.gz ULHHIUAPLWHREP-JTQLQIEISA-N 1 1 257.374 3.325 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)C[C@@H]2C)c1O ZINC000169084537 618915512 /nfs/dbraw/zinc/91/55/12/618915512.db2.gz UNDOEAWMQTZYJS-UWVGGRQHSA-N 1 1 269.772 3.285 20 10 CGCDMO C[N@H+](CCCOCc1ccccc1)c1ccc(N)cc1 ZINC000310024412 619072663 /nfs/dbraw/zinc/07/26/63/619072663.db2.gz UAMOVJQHGJYYPZ-UHFFFAOYSA-N 1 1 270.376 3.312 20 10 CGCDMO C[N@@H+](CCCOCc1ccccc1)c1ccc(N)cc1 ZINC000310024412 619072665 /nfs/dbraw/zinc/07/26/65/619072665.db2.gz UAMOVJQHGJYYPZ-UHFFFAOYSA-N 1 1 270.376 3.312 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCSCC[C@H]1C ZINC000840941809 619234145 /nfs/dbraw/zinc/23/41/45/619234145.db2.gz MLBOQOGHDZNKRJ-CQSZACIVSA-N 1 1 278.465 3.388 20 10 CGCDMO C[C@H]([NH2+]CCOc1ccccc1)c1ccc(F)cc1O ZINC000062748302 619282875 /nfs/dbraw/zinc/28/28/75/619282875.db2.gz AHZUOGVECZJADR-LBPRGKRZSA-N 1 1 275.323 3.261 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC[C@@H](C3CCC3)C2)c(O)c1 ZINC000840976762 619308428 /nfs/dbraw/zinc/30/84/28/619308428.db2.gz FLDMPCNLWQSJFZ-CQSZACIVSA-N 1 1 275.392 3.413 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1c(C)ccnc1N ZINC000893870959 619325612 /nfs/dbraw/zinc/32/56/12/619325612.db2.gz HJAAEKNGGJKGFS-UHFFFAOYSA-N 1 1 298.434 3.060 20 10 CGCDMO CCCC[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000894557345 619571053 /nfs/dbraw/zinc/57/10/53/619571053.db2.gz YWKKPQIDEHBMFA-GFCCVEGCSA-N 1 1 281.396 3.420 20 10 CGCDMO COc1ccc(C[N@H+]2CC(C)(C)C[C@@H]2C)c(O)c1OC ZINC000894923222 619684533 /nfs/dbraw/zinc/68/45/33/619684533.db2.gz UFARFVXGFQOSMR-NSHDSACASA-N 1 1 279.380 3.030 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895841579 619891928 /nfs/dbraw/zinc/89/19/28/619891928.db2.gz CXODFKSGUABEOI-AEFFLSMTSA-N 1 1 288.435 3.062 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1Cl ZINC000895841569 619892251 /nfs/dbraw/zinc/89/22/51/619892251.db2.gz CSGYCARCMSSWRK-MLGOLLRUSA-N 1 1 295.810 3.355 20 10 CGCDMO COc1cccc(C)c1C[NH2+]Cc1c(O)cccc1F ZINC000896636906 620041509 /nfs/dbraw/zinc/04/15/09/620041509.db2.gz GMEGMCZERONQLW-UHFFFAOYSA-N 1 1 275.323 3.138 20 10 CGCDMO C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cc(Cl)c(Cl)cc1O ZINC000841757793 620404171 /nfs/dbraw/zinc/40/41/71/620404171.db2.gz APCSDUIDVMCALH-UVPNAGLESA-N 1 1 290.190 3.263 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1c(O)cccc1F ZINC000926944584 620553322 /nfs/dbraw/zinc/55/33/22/620553322.db2.gz HULUEMUTBKLOAK-XHNCKOQMSA-N 1 1 277.261 3.380 20 10 CGCDMO C[C@H]([NH2+]C[C@]1(C)CCCCO1)c1ccc(F)cc1O ZINC000927016055 620561805 /nfs/dbraw/zinc/56/18/05/620561805.db2.gz DXQILBGHDCQTCS-NHYWBVRUSA-N 1 1 267.344 3.141 20 10 CGCDMO COC[C@@H](C[NH2+][C@H](C)c1c(O)cccc1F)C(C)C ZINC000927096382 620574753 /nfs/dbraw/zinc/57/47/53/620574753.db2.gz WQKZYPDARCKOAG-VXGBXAGGSA-N 1 1 269.360 3.101 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)c(O)cc1C ZINC000902651276 621392710 /nfs/dbraw/zinc/39/27/10/621392710.db2.gz DOHLUOGRYCUNFR-JSGCOSHPSA-N 1 1 261.365 3.084 20 10 CGCDMO C[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1c(O)cccc1F ZINC000903281210 621660976 /nfs/dbraw/zinc/66/09/76/621660976.db2.gz YYHKRNKHCWUGJL-YGNMJOSFSA-N 1 1 279.355 3.140 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCCOC[C@H]2C)cc1 ZINC000769458244 625569851 /nfs/dbraw/zinc/56/98/51/625569851.db2.gz ZPSZXOQQQWAXDB-OAHLLOKOSA-N 1 1 276.424 3.144 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)CC2CCSCC2)cc1 ZINC000876511254 622735142 /nfs/dbraw/zinc/73/51/42/622735142.db2.gz CBYCPVHBTWOKMR-UHFFFAOYSA-N 1 1 278.465 3.328 20 10 CGCDMO CCCc1[nH+]ccn1Cc1ccc(N(C)CC)cc1 ZINC000157969424 622990292 /nfs/dbraw/zinc/99/02/92/622990292.db2.gz UHBIHWNIBGEHTE-UHFFFAOYSA-N 1 1 257.381 3.340 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H](O)Cc1ccccc1 ZINC000170779251 623099085 /nfs/dbraw/zinc/09/90/85/623099085.db2.gz MBNCUSOLLXBRNK-GOSISDBHSA-N 1 1 299.414 3.208 20 10 CGCDMO CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000153671492 624016167 /nfs/dbraw/zinc/01/61/67/624016167.db2.gz LZTPBCQXDVKNJE-UHFFFAOYSA-N 1 1 288.435 3.288 20 10 CGCDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cc(F)ccc1O ZINC000180138001 624721281 /nfs/dbraw/zinc/72/12/81/624721281.db2.gz KNJPULXGOJRNAY-GFCCVEGCSA-N 1 1 289.350 3.300 20 10 CGCDMO COC(=O)C1([N@@H+](C)Cc2cccc(C)c2O)CCCCC1 ZINC000180208666 624728689 /nfs/dbraw/zinc/72/86/89/624728689.db2.gz INPRBUQMPRITNI-UHFFFAOYSA-N 1 1 291.391 3.008 20 10 CGCDMO CCCCC[N@@H+](CCCOC)Cc1ccccc1O ZINC000180878654 624780754 /nfs/dbraw/zinc/78/07/54/624780754.db2.gz GZEULPIUXMPWCO-UHFFFAOYSA-N 1 1 265.397 3.421 20 10 CGCDMO Cc1cccc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)c1O ZINC000181924419 624912836 /nfs/dbraw/zinc/91/28/36/624912836.db2.gz JODPMHJWNKRMFI-SFHVURJKSA-N 1 1 297.398 3.144 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c1O ZINC000070384275 625002252 /nfs/dbraw/zinc/00/22/52/625002252.db2.gz GTUWJBWVJLJQAT-AOOOYVTPSA-N 1 1 297.395 3.060 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c1O ZINC000070384275 625002254 /nfs/dbraw/zinc/00/22/54/625002254.db2.gz GTUWJBWVJLJQAT-AOOOYVTPSA-N 1 1 297.395 3.060 20 10 CGCDMO CC(C)CN1CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000183406059 625070630 /nfs/dbraw/zinc/07/06/30/625070630.db2.gz OEDNRAYRXIWKJV-CQSZACIVSA-N 1 1 276.424 3.163 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CCCC2(C)C)c1O ZINC000184686197 625261542 /nfs/dbraw/zinc/26/15/42/625261542.db2.gz IPZMMIJSOBCLIH-UHFFFAOYSA-N 1 1 269.772 3.429 20 10 CGCDMO C[C@H]([NH2+]CC(C)(C)N1CCCCC1)c1ccc(F)cc1O ZINC000184847625 625277267 /nfs/dbraw/zinc/27/72/67/625277267.db2.gz YPTBVSPUXVXZKY-ZDUSSCGKSA-N 1 1 294.414 3.446 20 10 CGCDMO COc1cc(C[N@H+]2CCCC3(CC3)C2)c(O)cc1C ZINC000184860151 625277366 /nfs/dbraw/zinc/27/73/66/625277366.db2.gz ODEGQFUQJHEUJW-UHFFFAOYSA-N 1 1 261.365 3.085 20 10 CGCDMO CCCc1ncc(C[NH2+]Cc2ccc3c(c2)CCCO3)o1 ZINC000922161630 625976394 /nfs/dbraw/zinc/97/63/94/625976394.db2.gz DFRQNXVRHMIWHQ-UHFFFAOYSA-N 1 1 286.375 3.242 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(C)cc(C)c2O)CCS1 ZINC000164428661 626086746 /nfs/dbraw/zinc/08/67/46/626086746.db2.gz NSHSEEVJPDGJSP-CQSZACIVSA-N 1 1 265.422 3.336 20 10 CGCDMO C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)c1ccc(F)cc1O ZINC000756626299 626154612 /nfs/dbraw/zinc/15/46/12/626154612.db2.gz CAXODBTXWNYANJ-LLVKDONJSA-N 1 1 297.370 3.304 20 10 CGCDMO CCc1cc(C[N@H+]2CC[C@H](OC)C2)c(O)c(C(C)(C)C)c1 ZINC000751946992 626412820 /nfs/dbraw/zinc/41/28/20/626412820.db2.gz LVGQMERMXWHXHD-HNNXBMFYSA-N 1 1 291.435 3.473 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](N3CCCCC3)C2)c1 ZINC000754726959 626585183 /nfs/dbraw/zinc/58/51/83/626585183.db2.gz YHSRKCFBIRNMKG-QGZVFWFLSA-N 1 1 288.435 3.069 20 10 CGCDMO Cc1cc(C)c(O)c(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000754726959 626585184 /nfs/dbraw/zinc/58/51/84/626585184.db2.gz YHSRKCFBIRNMKG-QGZVFWFLSA-N 1 1 288.435 3.069 20 10 CGCDMO C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1cccnc1 ZINC000756355648 626695202 /nfs/dbraw/zinc/69/52/02/626695202.db2.gz QFIJFJGBLIUYOA-UWVGGRQHSA-N 1 1 278.302 3.477 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC=CCC2)c1 ZINC000756476392 626708339 /nfs/dbraw/zinc/70/83/39/626708339.db2.gz UEPVSQXZTNXGAL-STQMWFEESA-N 1 1 289.375 3.186 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1O)C1CCOCC1 ZINC000756630374 626721861 /nfs/dbraw/zinc/72/18/61/626721861.db2.gz VHGDJQONBDOUJI-ABAIWWIYSA-N 1 1 281.371 3.387 20 10 CGCDMO Cc1ncc(CC[NH2+][C@@H](C)c2ccc(F)cc2O)s1 ZINC000756763010 626730238 /nfs/dbraw/zinc/73/02/38/626730238.db2.gz WOCWBKHUFZMXOA-VIFPVBQESA-N 1 1 280.368 3.190 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC(F)(F)C2)c1 ZINC000756851252 626737852 /nfs/dbraw/zinc/73/78/52/626737852.db2.gz QXWHIPBREFWSOY-GXSJLCMTSA-N 1 1 299.317 3.017 20 10 CGCDMO C[N@@H+](CCCOC(C)(C)C)Cc1ccccc1O ZINC000756858573 626738591 /nfs/dbraw/zinc/73/85/91/626738591.db2.gz AEWWAKHWXNLMHA-UHFFFAOYSA-N 1 1 251.370 3.029 20 10 CGCDMO Oc1c(Cl)cccc1CN1CC[NH2+]CC12CCCCC2 ZINC000843054504 626774033 /nfs/dbraw/zinc/77/40/33/626774033.db2.gz OPEOUMDJGNDADD-UHFFFAOYSA-N 1 1 294.826 3.154 20 10 CGCDMO COC(C)(C)C[N@@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000758405094 626842097 /nfs/dbraw/zinc/84/20/97/626842097.db2.gz LMXLAEDOGLGADL-UHFFFAOYSA-N 1 1 295.423 3.252 20 10 CGCDMO CC[N@@H+](CCC1CC1)Cc1cc(C)cc(OC)c1O ZINC000760537231 626977345 /nfs/dbraw/zinc/97/73/45/626977345.db2.gz DSBWMQSFAIXAOB-UHFFFAOYSA-N 1 1 263.381 3.331 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC[C@H]2c2ccccc2)cc1OC ZINC000768438664 627479775 /nfs/dbraw/zinc/47/97/75/627479775.db2.gz DJEAWBZAXWQRNN-HNNXBMFYSA-N 1 1 299.370 3.356 20 10 CGCDMO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000768463965 627481202 /nfs/dbraw/zinc/48/12/02/627481202.db2.gz YCVPNHKGBNLERK-SUMWQHHRSA-N 1 1 289.419 3.006 20 10 CGCDMO Cc1cc(O)c(C[N@H+](Cc2ccccc2)C[C@@H](C)O)cc1C ZINC000768893871 627506853 /nfs/dbraw/zinc/50/68/53/627506853.db2.gz UBJWDFGIUHMVHY-MRXNPFEDSA-N 1 1 299.414 3.392 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](C)CC2)c1 ZINC000769148812 627525708 /nfs/dbraw/zinc/52/57/08/627525708.db2.gz SJLDUJXZBKEQNO-ZDUSSCGKSA-N 1 1 263.381 3.413 20 10 CGCDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(OCC)cc2O)C1 ZINC000769423192 627551185 /nfs/dbraw/zinc/55/11/85/627551185.db2.gz PKTVEARNCGKAGQ-CQSZACIVSA-N 1 1 293.407 3.039 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCS[C@@H](C)[C@H]2C)c(O)c1 ZINC000769445572 627552957 /nfs/dbraw/zinc/55/29/57/627552957.db2.gz GUFZBRUUUHZWOD-NEPJUHHUSA-N 1 1 281.421 3.117 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000769450807 627554425 /nfs/dbraw/zinc/55/44/25/627554425.db2.gz HFSQLGLUJWBPHP-KRWDZBQOSA-N 1 1 283.371 3.280 20 10 CGCDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769470725 627557376 /nfs/dbraw/zinc/55/73/76/627557376.db2.gz OGOOKDCQRZUCNG-NEPJUHHUSA-N 1 1 250.361 3.122 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)[C@@H]1C ZINC000770284226 627611469 /nfs/dbraw/zinc/61/14/69/627611469.db2.gz OBUTUVNUSPHCJL-VXGBXAGGSA-N 1 1 250.361 3.122 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCCC[C@H](SC)C1 ZINC000770346141 627614215 /nfs/dbraw/zinc/61/42/15/627614215.db2.gz DCUXFPKAYCYYKU-LBPRGKRZSA-N 1 1 281.421 3.118 20 10 CGCDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(C)ccc2O)C12CCC2 ZINC000770352218 627615153 /nfs/dbraw/zinc/61/51/53/627615153.db2.gz MXYUAXBKJNSDFN-IRXDYDNUSA-N 1 1 289.419 3.480 20 10 CGCDMO CCC[C@H]1C[N@@H+](Cc2ccc(N(C)CC)cc2)CCO1 ZINC000773804744 627916621 /nfs/dbraw/zinc/91/66/21/627916621.db2.gz DKIZMXTZTFQXFR-KRWDZBQOSA-N 1 1 276.424 3.144 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](OC(F)F)C2)cc1 ZINC000773830192 627917929 /nfs/dbraw/zinc/91/79/29/627917929.db2.gz FBFYVMSOHAUQKE-OAHLLOKOSA-N 1 1 298.377 3.346 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)Cc2ccsc2)c1 ZINC000775644126 628118205 /nfs/dbraw/zinc/11/82/05/628118205.db2.gz BORNMNVSOJYNKX-UHFFFAOYSA-N 1 1 263.362 3.094 20 10 CGCDMO COCC[N@@H+](Cc1cccc(C)c1O)C1CCCC1 ZINC000775656468 628121136 /nfs/dbraw/zinc/12/11/36/628121136.db2.gz HHFWTFLXEKHDLM-UHFFFAOYSA-N 1 1 263.381 3.092 20 10 CGCDMO COCC[N@@H+](CCc1ccccc1)Cc1cccc(C)c1O ZINC000775656657 628121279 /nfs/dbraw/zinc/12/12/79/628121279.db2.gz LVNMQHHLJRCCEL-UHFFFAOYSA-N 1 1 299.414 3.392 20 10 CGCDMO Cc1cccc(CN2CCC[N@H+](C(C)(C)C)CC2)c1O ZINC000775665534 628123094 /nfs/dbraw/zinc/12/30/94/628123094.db2.gz RUIQGUYXYSFAML-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO Cc1cccc(C[N@@H+]2CCCN(C(C)(C)C)CC2)c1O ZINC000775665534 628123096 /nfs/dbraw/zinc/12/30/96/628123096.db2.gz RUIQGUYXYSFAML-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO Cc1cccc(C[N@H+]2CCCN(C(C)(C)C)CC2)c1O ZINC000775665534 628123099 /nfs/dbraw/zinc/12/30/99/628123099.db2.gz RUIQGUYXYSFAML-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO CC[C@@]1(C)CCC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000775701568 628127475 /nfs/dbraw/zinc/12/74/75/628127475.db2.gz SPXRZXWAWIFEAU-INIZCTEOSA-N 1 1 263.381 3.413 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000775725490 628129347 /nfs/dbraw/zinc/12/93/47/628129347.db2.gz PHLIATVWLMVRJG-INIZCTEOSA-N 1 1 283.371 3.218 20 10 CGCDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2cccc(C)c2O)C1(C)C ZINC000775735543 628130873 /nfs/dbraw/zinc/13/08/73/628130873.db2.gz RPYRJWYKFIKPLZ-WMLDXEAASA-N 1 1 277.408 3.336 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(OC)cn1 ZINC000775935233 628151434 /nfs/dbraw/zinc/15/14/34/628151434.db2.gz JIZUVSSWMWHFLY-UHFFFAOYSA-N 1 1 299.418 3.178 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000776775405 628231136 /nfs/dbraw/zinc/23/11/36/628231136.db2.gz ASZMLJSXPUQBDE-KRWDZBQOSA-N 1 1 289.419 3.400 20 10 CGCDMO COC(=O)c1cc2ccccc2c(C[N@@H+]2CC=CCC2)c1O ZINC000778578016 628359728 /nfs/dbraw/zinc/35/97/28/628359728.db2.gz ZDFQNFFMXOQMKR-UHFFFAOYSA-N 1 1 297.354 3.094 20 10 CGCDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(F)ccc1O ZINC000779025767 628384256 /nfs/dbraw/zinc/38/42/56/628384256.db2.gz HSJOWMIHJCGDLE-GFCCVEGCSA-N 1 1 271.335 3.478 20 10 CGCDMO CC[C@@]1(O)CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000779220145 628394887 /nfs/dbraw/zinc/39/48/87/628394887.db2.gz YJPDWXHMVWFUEU-GOSISDBHSA-N 1 1 288.435 3.024 20 10 CGCDMO CC[C@@]1(O)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000779217830 628394911 /nfs/dbraw/zinc/39/49/11/628394911.db2.gz CMOGAMUIHUYTMM-LJQANCHMSA-N 1 1 297.398 3.406 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH+]2CCCC2)c1 ZINC000781624581 628580894 /nfs/dbraw/zinc/58/08/94/628580894.db2.gz KVRAJGYKKOXXMI-UHFFFAOYSA-N 1 1 270.170 3.059 20 10 CGCDMO Cc1cccc(C[N@@H+]2Cc3ccccc3OC[C@H]2C)c1O ZINC000783598439 628730153 /nfs/dbraw/zinc/73/01/53/628730153.db2.gz RODRQSFHSKBSGD-CQSZACIVSA-N 1 1 283.371 3.484 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)[C@H]1CO ZINC000785984165 628906127 /nfs/dbraw/zinc/90/61/27/628906127.db2.gz HHJDNEYZOKWEHK-KDOFPFPSSA-N 1 1 297.398 3.262 20 10 CGCDMO CC(C)[C@@H](O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788662899 629070909 /nfs/dbraw/zinc/07/09/09/629070909.db2.gz DZWGOENGLBYNND-CABZTGNLSA-N 1 1 291.313 3.079 20 10 CGCDMO C[C@@H](O)CCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000789348170 629126570 /nfs/dbraw/zinc/12/65/70/629126570.db2.gz LSYGYFKGKSXQDV-CQSZACIVSA-N 1 1 289.375 3.148 20 10 CGCDMO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790988879 629246967 /nfs/dbraw/zinc/24/69/67/629246967.db2.gz FQRRWMPBVTVIRT-RNCFNFMXSA-N 1 1 287.762 3.089 20 10 CGCDMO CN(C)c1cc(F)c(C[N@@H+]2CCCOC(C)(C)C2)cc1F ZINC000862246787 629329491 /nfs/dbraw/zinc/32/94/91/629329491.db2.gz NGQUKWVTQWOGRU-UHFFFAOYSA-N 1 1 298.377 3.032 20 10 CGCDMO CN(C)c1cc(F)c(C[N@H+]2CCCOC(C)(C)C2)cc1F ZINC000862246787 629329493 /nfs/dbraw/zinc/32/94/93/629329493.db2.gz NGQUKWVTQWOGRU-UHFFFAOYSA-N 1 1 298.377 3.032 20 10 CGCDMO COC(C)(C)C[N@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000792168760 629343840 /nfs/dbraw/zinc/34/38/40/629343840.db2.gz FQNZVLARGMCSRM-UHFFFAOYSA-N 1 1 275.751 3.042 20 10 CGCDMO COC(C)(C)C[N@@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000792168760 629343845 /nfs/dbraw/zinc/34/38/45/629343845.db2.gz FQNZVLARGMCSRM-UHFFFAOYSA-N 1 1 275.751 3.042 20 10 CGCDMO CCC[N@H+](Cc1cc(F)ccc1O)[C@@H](CC)C(=O)OCC ZINC000792189217 629346543 /nfs/dbraw/zinc/34/65/43/629346543.db2.gz RNKYCTHPQOSXJH-AWEZNQCLSA-N 1 1 297.370 3.085 20 10 CGCDMO CCC[N@@H+](Cc1cc(F)ccc1O)[C@@H](CC)C(=O)OCC ZINC000792189217 629346545 /nfs/dbraw/zinc/34/65/45/629346545.db2.gz RNKYCTHPQOSXJH-AWEZNQCLSA-N 1 1 297.370 3.085 20 10 CGCDMO COc1cccc2c1C[N@@H+](Cc1cc(C)ccc1O)C2 ZINC000862529570 629392815 /nfs/dbraw/zinc/39/28/15/629392815.db2.gz NNTWEUDHJNYIGV-UHFFFAOYSA-N 1 1 269.344 3.225 20 10 CGCDMO CC1(CC[NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000793198435 629426608 /nfs/dbraw/zinc/42/66/08/629426608.db2.gz JCPYUDDRKNGHAJ-UHFFFAOYSA-N 1 1 257.736 3.465 20 10 CGCDMO Cc1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)ncn1 ZINC000794273693 629528303 /nfs/dbraw/zinc/52/83/03/629528303.db2.gz ALRRTDPIQGKLOB-UHFFFAOYSA-N 1 1 298.434 3.262 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(C)cc1O ZINC000794803572 629579758 /nfs/dbraw/zinc/57/97/58/629579758.db2.gz APMNJKBWKZLQCP-ZBFHGGJFSA-N 1 1 276.424 3.083 20 10 CGCDMO CC[C@H]([NH2+]CCN1CCCC[C@H]1C)c1ccc(F)cc1O ZINC000796696082 629815825 /nfs/dbraw/zinc/81/58/25/629815825.db2.gz RXKZHPIVPRFXDB-CJNGLKHVSA-N 1 1 294.414 3.446 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)CN1CCCCC1)c1ccc(F)cc1O ZINC000796698192 629816960 /nfs/dbraw/zinc/81/69/60/629816960.db2.gz WQUUWPRRAMDZJD-CZUORRHYSA-N 1 1 294.414 3.446 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H](C)N1CCCCC1)c1ccc(F)cc1O ZINC000796703402 629817346 /nfs/dbraw/zinc/81/73/46/629817346.db2.gz UINOOERPLQRXSF-CZUORRHYSA-N 1 1 294.414 3.446 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCCO1)c1cccc(C(F)(F)F)c1O ZINC000798179639 630030720 /nfs/dbraw/zinc/03/07/20/630030720.db2.gz IJTNSHFGUTXJHY-VHSXEESVSA-N 1 1 289.297 3.241 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@H](c3ccccn3)C2)c1O ZINC000798965263 630132160 /nfs/dbraw/zinc/13/21/60/630132160.db2.gz QOESGEOXDVZPGC-AWEZNQCLSA-N 1 1 268.360 3.085 20 10 CGCDMO CCCC[N@@H+](Cc1cnc(N)s1)Cc1ccccc1O ZINC000802657764 630403879 /nfs/dbraw/zinc/40/38/79/630403879.db2.gz QXPSQZPXJDGCEY-UHFFFAOYSA-N 1 1 291.420 3.233 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C[C@H](O)C(C)(C)C)C2CC2)cc1 ZINC000808711053 630668984 /nfs/dbraw/zinc/66/89/84/630668984.db2.gz SXWFUCIKRWAXAG-KRWDZBQOSA-N 1 1 290.451 3.124 20 10 CGCDMO CCCC[N@H+](C)C[C@H](C)N[C@@H](C)c1cc(F)ccc1O ZINC000808732591 630673215 /nfs/dbraw/zinc/67/32/15/630673215.db2.gz LHESSQSVTRQRBD-STQMWFEESA-N 1 1 282.403 3.302 20 10 CGCDMO CCCC[N@@H+](C)C[C@H](C)N[C@@H](C)c1cc(F)ccc1O ZINC000808732591 630673218 /nfs/dbraw/zinc/67/32/18/630673218.db2.gz LHESSQSVTRQRBD-STQMWFEESA-N 1 1 282.403 3.302 20 10 CGCDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000809757153 630800744 /nfs/dbraw/zinc/80/07/44/630800744.db2.gz KCADRPPMVIKUOR-HNNXBMFYSA-N 1 1 283.799 3.173 20 10 CGCDMO CCCCN(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000810245161 630859265 /nfs/dbraw/zinc/85/92/65/630859265.db2.gz STDYZDNIGDMFJN-OLZOCXBDSA-N 1 1 282.403 3.302 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)CN(C)C(C)C)c1ccc(F)cc1O ZINC000810253734 630859848 /nfs/dbraw/zinc/85/98/48/630859848.db2.gz BNCOQLRDHZMPNN-IUODEOHRSA-N 1 1 282.403 3.301 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000811513320 631080940 /nfs/dbraw/zinc/08/09/40/631080940.db2.gz GEIHHTUFFKDAOL-INIZCTEOSA-N 1 1 257.377 3.465 20 10 CGCDMO Cc1cc(Cl)cc(CN[C@H](C)C[N@@H+](C)C(C)C)c1O ZINC000811515754 631081398 /nfs/dbraw/zinc/08/13/98/631081398.db2.gz GSQOEJMZDKZSMU-GFCCVEGCSA-N 1 1 284.831 3.172 20 10 CGCDMO Cc1cc(Cl)cc(CN[C@H](C)C[N@H+](C)C(C)C)c1O ZINC000811515754 631081404 /nfs/dbraw/zinc/08/14/04/631081404.db2.gz GSQOEJMZDKZSMU-GFCCVEGCSA-N 1 1 284.831 3.172 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC(C)(C)[C@@H]1C1CC1 ZINC000811513520 631081799 /nfs/dbraw/zinc/08/17/99/631081799.db2.gz JTTQFEWHQUUMJE-HNNXBMFYSA-N 1 1 261.365 3.021 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](CC)[C@H]2CCOC2)cc1F ZINC000812780722 631306687 /nfs/dbraw/zinc/30/66/87/631306687.db2.gz PNMCQMJLJFOARC-HNNXBMFYSA-N 1 1 294.414 3.283 20 10 CGCDMO CC[C@H]1CC[N@H+]1Cc1cc(Br)ccc1O ZINC000814178950 631540002 /nfs/dbraw/zinc/54/00/02/631540002.db2.gz KIPWIOCOUVDGSM-NSHDSACASA-N 1 1 270.170 3.139 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)C[C@H](C)O1 ZINC000815046791 631706561 /nfs/dbraw/zinc/70/65/61/631706561.db2.gz FXOKVVYMPJDCHT-HOCLYGCPSA-N 1 1 276.424 3.060 20 10 CGCDMO Cc1cc(C[N@@H+](CCO)C2CCCCC2)ccc1N(C)C ZINC000815074107 631711014 /nfs/dbraw/zinc/71/10/14/631711014.db2.gz IQYPKDVGTOSZRM-UHFFFAOYSA-N 1 1 290.451 3.188 20 10 CGCDMO Oc1c(CN2CC[NH+](C3CCC3)CC2)ccc2ccccc21 ZINC000816510840 631998575 /nfs/dbraw/zinc/99/85/75/631998575.db2.gz HGUIUOGFZBMVPU-UHFFFAOYSA-N 1 1 296.414 3.216 20 10 CGCDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc2ccccc2c1O ZINC000816515425 632000217 /nfs/dbraw/zinc/00/02/17/632000217.db2.gz ZBNGPJNYMSYJMY-HNNXBMFYSA-N 1 1 299.370 3.073 20 10 CGCDMO CC(C)OCCC[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816514247 632000262 /nfs/dbraw/zinc/00/02/62/632000262.db2.gz RCGDNPCFTSZKNM-UHFFFAOYSA-N 1 1 289.778 3.432 20 10 CGCDMO CC(C)OCCC[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816514247 632000270 /nfs/dbraw/zinc/00/02/70/632000270.db2.gz RCGDNPCFTSZKNM-UHFFFAOYSA-N 1 1 289.778 3.432 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)[C@H]1C ZINC000816519989 632001573 /nfs/dbraw/zinc/00/15/73/632001573.db2.gz CBKIAPARQRZDEF-BDAKNGLRSA-N 1 1 257.736 3.415 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)[C@H]1C ZINC000816519989 632001575 /nfs/dbraw/zinc/00/15/75/632001575.db2.gz CBKIAPARQRZDEF-BDAKNGLRSA-N 1 1 257.736 3.415 20 10 CGCDMO C[N@H+](CCC1CC1)Cc1cc(Cl)c(F)cc1O ZINC000816521608 632003922 /nfs/dbraw/zinc/00/39/22/632003922.db2.gz UWSPUUMCYNPWGL-UHFFFAOYSA-N 1 1 257.736 3.417 20 10 CGCDMO C[N@@H+](CCC1CC1)Cc1cc(Cl)c(F)cc1O ZINC000816521608 632003929 /nfs/dbraw/zinc/00/39/29/632003929.db2.gz UWSPUUMCYNPWGL-UHFFFAOYSA-N 1 1 257.736 3.417 20 10 CGCDMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1cccnc1 ZINC000816531288 632004455 /nfs/dbraw/zinc/00/44/55/632004455.db2.gz MLWRFFJQWSLGTO-SECBINFHSA-N 1 1 280.730 3.431 20 10 CGCDMO CC(C)[NH2+]CCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000817953542 632249374 /nfs/dbraw/zinc/24/93/74/632249374.db2.gz NLYREURUMUQOAU-LLVKDONJSA-N 1 1 270.804 3.084 20 10 CGCDMO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c2c1c(F)ccc2[O-] ZINC000817959054 632255069 /nfs/dbraw/zinc/25/50/69/632255069.db2.gz AYAJKHWYGKFOAI-OXHZDVMGSA-N 1 1 292.398 3.187 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000817971797 632264958 /nfs/dbraw/zinc/26/49/58/632264958.db2.gz QDIKJXCJENJBIL-QKCSRTOESA-N 1 1 282.815 3.227 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1[O-] ZINC000817983057 632273319 /nfs/dbraw/zinc/27/33/19/632273319.db2.gz XSWJWDKYUSHYHB-GVXVVHGQSA-N 1 1 282.815 3.132 20 10 CGCDMO CC[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cc(Cl)ccc1[O-] ZINC000817984611 632274874 /nfs/dbraw/zinc/27/48/74/632274874.db2.gz VOSPDDBPIHQQBU-CQSZACIVSA-N 1 1 282.815 3.228 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@H](OC)C1CC1 ZINC000823025672 633051500 /nfs/dbraw/zinc/05/15/00/633051500.db2.gz KZMINIXEPGXBEE-KRWDZBQOSA-N 1 1 277.408 3.419 20 10 CGCDMO CCC[C@H](CCO)[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000866415497 633128347 /nfs/dbraw/zinc/12/83/47/633128347.db2.gz WOWXMMPLHSDAAF-TZMCWYRMSA-N 1 1 269.360 3.123 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2F)c1 ZINC000866449893 633139718 /nfs/dbraw/zinc/13/97/18/633139718.db2.gz LAHBUEIQGBIFOH-DDTOSNHZSA-N 1 1 295.354 3.110 20 10 CGCDMO C[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccc(F)cc1O ZINC000866566057 633197403 /nfs/dbraw/zinc/19/74/03/633197403.db2.gz XEWAVJHSFLCOTE-QMMMGPOBSA-N 1 1 299.296 3.053 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)c1ccnn1C)c1ccc(F)cc1O ZINC000866615970 633215557 /nfs/dbraw/zinc/21/55/57/633215557.db2.gz YAHFZOMRMNWTSS-ZWNOBZJWSA-N 1 1 277.343 3.067 20 10 CGCDMO c1cc(N2CCCCC2)ccc1C[N@H+](C1CC1)C1COC1 ZINC000824472207 633249492 /nfs/dbraw/zinc/24/94/92/633249492.db2.gz NKZBGFIOMAVRBS-UHFFFAOYSA-N 1 1 286.419 3.040 20 10 CGCDMO c1cc(N2CCCCC2)ccc1C[N@@H+](C1CC1)C1COC1 ZINC000824472207 633249494 /nfs/dbraw/zinc/24/94/94/633249494.db2.gz NKZBGFIOMAVRBS-UHFFFAOYSA-N 1 1 286.419 3.040 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1C ZINC000824714410 633278093 /nfs/dbraw/zinc/27/80/93/633278093.db2.gz DMPNJISXVKJBKF-BBWFWOEESA-N 1 1 289.419 3.134 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824715795 633278822 /nfs/dbraw/zinc/27/88/22/633278822.db2.gz NWIPOUMOOVIUAD-CFVMTHIKSA-N 1 1 295.810 3.171 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)C[C@H]1C ZINC000824815359 633294962 /nfs/dbraw/zinc/29/49/62/633294962.db2.gz MPLARILMGAUTQO-BXUZGUMPSA-N 1 1 283.799 3.211 20 10 CGCDMO CC(C)N1CC[C@H]([N@@H+](C)Cc2c(O)ccc3ccccc32)C1 ZINC000825331675 633347028 /nfs/dbraw/zinc/34/70/28/633347028.db2.gz LAVOHAUDBKHJGU-INIZCTEOSA-N 1 1 298.430 3.460 20 10 CGCDMO CC(C)[N@@H+]1CC[C@H](N(C)Cc2c(O)ccc3ccccc32)C1 ZINC000825331675 633347031 /nfs/dbraw/zinc/34/70/31/633347031.db2.gz LAVOHAUDBKHJGU-INIZCTEOSA-N 1 1 298.430 3.460 20 10 CGCDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2c(O)ccc3ccccc32)C1 ZINC000825331675 633347034 /nfs/dbraw/zinc/34/70/34/633347034.db2.gz LAVOHAUDBKHJGU-INIZCTEOSA-N 1 1 298.430 3.460 20 10 CGCDMO C[C@@]1(C2CC2)C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000826877185 633439940 /nfs/dbraw/zinc/43/99/40/633439940.db2.gz CEMCZLOKUXUFIM-HNNXBMFYSA-N 1 1 281.783 3.047 20 10 CGCDMO C[C@@]1(C2CC2)C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000826877185 633439943 /nfs/dbraw/zinc/43/99/43/633439943.db2.gz CEMCZLOKUXUFIM-HNNXBMFYSA-N 1 1 281.783 3.047 20 10 CGCDMO Cc1cc(C[N@@H+](C)CCCCO)ccc1N1CCCCC1 ZINC000829152751 633704722 /nfs/dbraw/zinc/70/47/22/633704722.db2.gz USUDODIYURMGSY-UHFFFAOYSA-N 1 1 290.451 3.190 20 10 CGCDMO C[C@@H]1Cc2c([nH+]cn2Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000830918591 633897769 /nfs/dbraw/zinc/89/77/69/633897769.db2.gz GCMLVKDJKUHDHM-UONOGXRCSA-N 1 1 283.419 3.368 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](F)C2)c1O ZINC000846120519 636147574 /nfs/dbraw/zinc/14/75/74/636147574.db2.gz RFLFPXUHBDIRTO-GFCCVEGCSA-N 1 1 257.736 3.288 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](F)C2)c1O ZINC000846120519 636147577 /nfs/dbraw/zinc/14/75/77/636147577.db2.gz RFLFPXUHBDIRTO-GFCCVEGCSA-N 1 1 257.736 3.288 20 10 CGCDMO CCCOc1ccc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)cc1C ZINC000873078493 634242923 /nfs/dbraw/zinc/24/29/23/634242923.db2.gz KNQCBKYWQLHVAO-MRXNPFEDSA-N 1 1 299.418 3.154 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ncccc2OC)cc1 ZINC000834905442 634281954 /nfs/dbraw/zinc/28/19/54/634281954.db2.gz HLJISXMMYNZNSJ-CQSZACIVSA-N 1 1 299.418 3.397 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cc(Cl)ccc1[O-] ZINC000873245092 634299289 /nfs/dbraw/zinc/29/92/89/634299289.db2.gz PHBFXVCCEDMHJF-YPMHNXCESA-N 1 1 296.842 3.474 20 10 CGCDMO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)C1CC[NH2+]CC1 ZINC000873269471 634312694 /nfs/dbraw/zinc/31/26/94/634312694.db2.gz QFMSDPLIWLAOIY-GYSYKLTISA-N 1 1 292.398 3.057 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)Cc2cccn2C)cc1 ZINC000835026009 634324438 /nfs/dbraw/zinc/32/44/38/634324438.db2.gz NRFXPHVMAAOXEZ-ALCCZGGFSA-N 1 1 283.419 3.236 20 10 CGCDMO C[C@H](O)C[C@H]1CCC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835028153 634325554 /nfs/dbraw/zinc/32/55/54/634325554.db2.gz KCKWOZKVGMYDMZ-IWAYODKASA-N 1 1 288.435 3.001 20 10 CGCDMO C[C@@H]1CSCC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835027765 634325694 /nfs/dbraw/zinc/32/56/94/634325694.db2.gz GTOKHHUFOOCBCQ-ZRUQZJFASA-N 1 1 276.449 3.203 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)Cc2ccc[nH]2)cc1 ZINC000835027641 634325960 /nfs/dbraw/zinc/32/59/60/634325960.db2.gz FRRXZBQBRLBHLK-AATRIKPKSA-N 1 1 269.392 3.226 20 10 CGCDMO CC(C)[N@H+](C)CCCNC/C=C/c1ccc(N(C)C)cc1 ZINC000835035743 634326804 /nfs/dbraw/zinc/32/68/04/634326804.db2.gz KLSGQTDHDGDSHT-SOFGYWHQSA-N 1 1 289.467 3.086 20 10 CGCDMO CC(C)[N@@H+](C)CCCNC/C=C/c1ccc(N(C)C)cc1 ZINC000835035743 634326807 /nfs/dbraw/zinc/32/68/07/634326807.db2.gz KLSGQTDHDGDSHT-SOFGYWHQSA-N 1 1 289.467 3.086 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835046926 634333108 /nfs/dbraw/zinc/33/31/08/634333108.db2.gz AHTQTISVGDOWMX-WLPBJKJWSA-N 1 1 288.435 3.267 20 10 CGCDMO COC[C@@H]1CCCC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835055074 634339441 /nfs/dbraw/zinc/33/94/41/634339441.db2.gz QJULJQWNVYNDIL-DKFQHHCZSA-N 1 1 288.435 3.267 20 10 CGCDMO C[N@@H+](CCCC[NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000835064140 634343650 /nfs/dbraw/zinc/34/36/50/634343650.db2.gz USUQZMXQXGGYNI-UHFFFAOYSA-N 1 1 282.815 3.010 20 10 CGCDMO Cc1ccc(C[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)c(O)c1 ZINC000877471294 635050190 /nfs/dbraw/zinc/05/01/90/635050190.db2.gz UPCFKQOQZYULIC-NSHDSACASA-N 1 1 289.379 3.232 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCC=C(Br)C2)c(O)c1 ZINC000877500166 635062587 /nfs/dbraw/zinc/06/25/87/635062587.db2.gz CUUHKBZKZGCVMQ-UHFFFAOYSA-N 1 1 282.181 3.185 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC=C(Br)C2)c(O)c1 ZINC000877500166 635062593 /nfs/dbraw/zinc/06/25/93/635062593.db2.gz CUUHKBZKZGCVMQ-UHFFFAOYSA-N 1 1 282.181 3.185 20 10 CGCDMO Cc1ccc(C[N@@H+](Cc2cccnc2)C2CC2)c(O)c1 ZINC000877530159 635074610 /nfs/dbraw/zinc/07/46/10/635074610.db2.gz DNSFXYWIAFZNPG-UHFFFAOYSA-N 1 1 268.360 3.260 20 10 CGCDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(C)cc1O ZINC000877531516 635075576 /nfs/dbraw/zinc/07/55/76/635075576.db2.gz OHSAJGOLQZZSJR-CYBMUJFWSA-N 1 1 253.411 3.274 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000877538552 635078344 /nfs/dbraw/zinc/07/83/44/635078344.db2.gz DIDXWAIXRNNQOF-NSHDSACASA-N 1 1 255.308 3.178 20 10 CGCDMO CC[N@@H+](Cc1ccc(C)cc1O)[C@H]1CCOC(C)(C)C1 ZINC000877538568 635078573 /nfs/dbraw/zinc/07/85/73/635078573.db2.gz DTCXXNVKQBTBIF-HNNXBMFYSA-N 1 1 277.408 3.480 20 10 CGCDMO Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(O)c1 ZINC000877542110 635080655 /nfs/dbraw/zinc/08/06/55/635080655.db2.gz VNQMPRNUSODUEE-IAGOWNOFSA-N 1 1 287.403 3.234 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840936044 635086189 /nfs/dbraw/zinc/08/61/89/635086189.db2.gz DMWSKPOEOXZGBE-LBPRGKRZSA-N 1 1 283.799 3.355 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000840940368 635086483 /nfs/dbraw/zinc/08/64/83/635086483.db2.gz ZISXSZVCQGPBNT-MRXNPFEDSA-N 1 1 284.407 3.121 20 10 CGCDMO C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CS1 ZINC000840958808 635094033 /nfs/dbraw/zinc/09/40/33/635094033.db2.gz OFOQJRWXSYHJOB-CBAPKCEASA-N 1 1 275.776 3.168 20 10 CGCDMO C[C@H]1C[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CS1 ZINC000840959827 635094182 /nfs/dbraw/zinc/09/41/82/635094182.db2.gz ZQRTZQJBBPWNQC-JGVFFNPUSA-N 1 1 275.776 3.168 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000840959606 635094286 /nfs/dbraw/zinc/09/42/86/635094286.db2.gz YYKSOMCEGIZBEH-DLBZAZTESA-N 1 1 283.371 3.009 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccccc2O)CCN1Cc1ccccc1 ZINC000840963796 635095147 /nfs/dbraw/zinc/09/51/47/635095147.db2.gz VTKAMZOJANSTQY-MRXNPFEDSA-N 1 1 296.414 3.099 20 10 CGCDMO CCCC[C@H](CN)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000841029215 635109030 /nfs/dbraw/zinc/10/90/30/635109030.db2.gz MDXYWNIHDXETCZ-QGZVFWFLSA-N 1 1 289.467 3.284 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCC[C@@H](OC(C)C)C2)c(O)c1 ZINC000877609515 635110700 /nfs/dbraw/zinc/11/07/00/635110700.db2.gz BLVGYDNNMQLJNX-OAHLLOKOSA-N 1 1 263.381 3.090 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c(O)c1 ZINC000877652708 635132410 /nfs/dbraw/zinc/13/24/10/635132410.db2.gz LVLNBUKIJWTBKB-KGLIPLIRSA-N 1 1 263.406 3.171 20 10 CGCDMO Cc1ccc(O)c(CN2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000877674182 635142352 /nfs/dbraw/zinc/14/23/52/635142352.db2.gz NMASXQDYIYTZPX-UHFFFAOYSA-N 1 1 288.435 3.151 20 10 CGCDMO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841743939 635223049 /nfs/dbraw/zinc/22/30/49/635223049.db2.gz DLWKSTNHGBJIAX-QWRGUYRKSA-N 1 1 298.814 3.001 20 10 CGCDMO CC(C)(O)[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000877836224 635236444 /nfs/dbraw/zinc/23/64/44/635236444.db2.gz QEXTUDDXUMJWPE-HNNXBMFYSA-N 1 1 285.387 3.138 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000842613185 635417813 /nfs/dbraw/zinc/41/78/13/635417813.db2.gz WOLCDBQTFTYMRJ-NVXWUHKLSA-N 1 1 289.419 3.400 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(C)c(C)cc2O)[C@@H](C)CO1 ZINC000844729339 635957458 /nfs/dbraw/zinc/95/74/58/635957458.db2.gz HSXRYMFUESTGKS-ZFWWWQNUSA-N 1 1 263.381 3.008 20 10 CGCDMO C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000844904293 635981028 /nfs/dbraw/zinc/98/10/28/635981028.db2.gz HAMIUWSNTOMECS-UHFFFAOYSA-N 1 1 290.794 3.055 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC[C@H]2C(C)C)c1O ZINC000211578130 636107905 /nfs/dbraw/zinc/10/79/05/636107905.db2.gz BQZUUQUWWCKSSQ-AWEZNQCLSA-N 1 1 263.381 3.411 20 10 CGCDMO CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)[C@@H]1CCCOC1 ZINC000846052637 636138882 /nfs/dbraw/zinc/13/88/82/636138882.db2.gz PLPWBGVTYOJTTR-SUQGKYDKSA-N 1 1 288.435 3.267 20 10 CGCDMO CCc1cccc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)c1O ZINC000848885801 636673572 /nfs/dbraw/zinc/67/35/72/636673572.db2.gz SFFNSIBACWPHNF-HNNXBMFYSA-N 1 1 285.391 3.405 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c1O ZINC000848902979 636682631 /nfs/dbraw/zinc/68/26/31/636682631.db2.gz VZVHZQUHYVAECV-MRXNPFEDSA-N 1 1 296.414 3.414 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CC(C)(C)O1 ZINC000133112064 636874113 /nfs/dbraw/zinc/87/41/13/636874113.db2.gz SIJGVYLRUFIASH-SNVBAGLBSA-N 1 1 269.772 3.045 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CC(C)(C)O1 ZINC000133112064 636874117 /nfs/dbraw/zinc/87/41/17/636874117.db2.gz SIJGVYLRUFIASH-SNVBAGLBSA-N 1 1 269.772 3.045 20 10 CGCDMO CCC(CC)[N@@H+](CCOC)Cc1cc(C)ccc1O ZINC000133483598 636903891 /nfs/dbraw/zinc/90/38/91/636903891.db2.gz KQFBUALOVJNAET-UHFFFAOYSA-N 1 1 265.397 3.338 20 10 CGCDMO C[C@H]([NH2+]CCC(C)(C)F)c1cc(F)cc(F)c1O ZINC000850530699 637108274 /nfs/dbraw/zinc/10/82/74/637108274.db2.gz BUINANKEXJJHLJ-QMMMGPOBSA-N 1 1 261.287 3.459 20 10 CGCDMO Oc1c(Br)cccc1C[NH2+]Cc1ccoc1 ZINC000136401335 637335368 /nfs/dbraw/zinc/33/53/68/637335368.db2.gz YJZLGHTXBFUFNH-UHFFFAOYSA-N 1 1 282.137 3.038 20 10 CGCDMO CCC[N@@H+](CCO[C@H]1CC1(F)F)Cc1ccccc1O ZINC000851792089 637505496 /nfs/dbraw/zinc/50/54/96/637505496.db2.gz KJOOCJMOUFKUDT-AWEZNQCLSA-N 1 1 285.334 3.028 20 10 CGCDMO C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1c(O)cccc1F ZINC000886528329 637555125 /nfs/dbraw/zinc/55/51/25/637555125.db2.gz KHUHJFPZHSUKOE-SJKOYZFVSA-N 1 1 289.350 3.090 20 10 CGCDMO C[C@@H]([NH2+]C[C@@]1(C)CCCS1)c1c(O)cccc1F ZINC000886538506 637564012 /nfs/dbraw/zinc/56/40/12/637564012.db2.gz JFEHGOZDGFKVCD-QMTHXVAHSA-N 1 1 269.385 3.468 20 10 CGCDMO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886549116 637576747 /nfs/dbraw/zinc/57/67/47/637576747.db2.gz BTCMDXCWQWMSMN-PWSUYJOCSA-N 1 1 295.379 3.285 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1c(O)cccc1F ZINC000886555684 637579432 /nfs/dbraw/zinc/57/94/32/637579432.db2.gz YVPXSDFSZGAXDD-GHMZBOCLSA-N 1 1 267.344 3.140 20 10 CGCDMO C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1c(O)cccc1F ZINC000886559751 637581189 /nfs/dbraw/zinc/58/11/89/637581189.db2.gz CTIVFFWIBBTTCZ-GMTAPVOTSA-N 1 1 267.344 3.138 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1c(O)cccc1F ZINC000886601405 637598332 /nfs/dbraw/zinc/59/83/32/637598332.db2.gz RUUGHAJPCQGLIV-OCCSQVGLSA-N 1 1 292.398 3.199 20 10 CGCDMO Cc1ccc(C[NH2+][C@@H](C)c2c(O)cccc2F)nc1C ZINC000886623483 637614040 /nfs/dbraw/zinc/61/40/40/637614040.db2.gz FFWDSZZXRIMOFP-LBPRGKRZSA-N 1 1 274.339 3.394 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1c(O)cccc1F ZINC000886636138 637621042 /nfs/dbraw/zinc/62/10/42/637621042.db2.gz GPZDJSXNBABEQF-NWDGAFQWSA-N 1 1 280.387 3.055 20 10 CGCDMO C[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1c(O)cccc1F ZINC000886639575 637624532 /nfs/dbraw/zinc/62/45/32/637624532.db2.gz GLIMDKYBZNYQQA-BDAKNGLRSA-N 1 1 259.271 3.227 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)cc1 ZINC000852322430 637635155 /nfs/dbraw/zinc/63/51/55/637635155.db2.gz JEVNDBIYKGXALQ-GOSISDBHSA-N 1 1 288.435 3.144 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)ccc1N(C)C ZINC000886818646 637704774 /nfs/dbraw/zinc/70/47/74/637704774.db2.gz HRSFBKKEZYRPEA-FUHWJXTLSA-N 1 1 288.435 3.062 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1ccc(F)cc1O ZINC000927032769 638834045 /nfs/dbraw/zinc/83/40/45/638834045.db2.gz PIOQBIQRXSEHGK-JFGNBEQYSA-N 1 1 269.385 3.466 20 10 CGCDMO CC[N@@H+](Cc1ccoc1)Cc1ccc(N(C)C)cc1 ZINC000156847004 639984533 /nfs/dbraw/zinc/98/45/33/639984533.db2.gz CNQGRFAFVBJMOI-UHFFFAOYSA-N 1 1 258.365 3.368 20 10 CGCDMO CSCCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000191123123 640291569 /nfs/dbraw/zinc/29/15/69/640291569.db2.gz SJQBRRQAPGNCFP-UHFFFAOYSA-N 1 1 263.765 3.027 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCS[C@@H](C)CC2)cc1C ZINC000191664366 640326289 /nfs/dbraw/zinc/32/62/89/640326289.db2.gz GYLGJZUJRLRSJK-ZDUSSCGKSA-N 1 1 265.422 3.336 20 10 CGCDMO CCOc1cccc(CNc2[nH+]cccc2C)c1O ZINC000083430426 640596356 /nfs/dbraw/zinc/59/63/56/640596356.db2.gz ORRARWZNZVXZTC-UHFFFAOYSA-N 1 1 258.321 3.106 20 10 CGCDMO CC[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000091919363 640726536 /nfs/dbraw/zinc/72/65/36/640726536.db2.gz JJQDILBJXQKNQJ-INIZCTEOSA-N 1 1 288.435 3.145 20 10 CGCDMO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000092017213 640729055 /nfs/dbraw/zinc/72/90/55/640729055.db2.gz OOXKRSAQVAQPOT-CVEARBPZSA-N 1 1 288.435 3.286 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)Cc2ccoc2C)c1O ZINC000092438597 640737848 /nfs/dbraw/zinc/73/78/48/640737848.db2.gz XSLOFZAKTCLUDQ-UHFFFAOYSA-N 1 1 275.348 3.324 20 10 CGCDMO Cc1cccc(CNc2nc(C)[nH+]c(C)c2C)c1O ZINC001160771437 806302049 /nfs/dbraw/zinc/30/20/49/806302049.db2.gz VJVSUDBPVHVDOR-UHFFFAOYSA-N 1 1 257.337 3.028 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C)C2)c1O ZINC000037322638 798865896 /nfs/dbraw/zinc/86/58/96/798865896.db2.gz OYSSWBCZQQORBG-SNVBAGLBSA-N 1 1 281.783 3.480 20 10 CGCDMO C[C@H]1C[C@H](C)[N@H+](Cc2cccc(Br)c2O)C1 ZINC000161296530 799080060 /nfs/dbraw/zinc/08/00/60/799080060.db2.gz RMSZWHDIHKMYFU-UWVGGRQHSA-N 1 1 284.197 3.385 20 10 CGCDMO C[C@H]1C[C@H](C)[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000161296530 799080067 /nfs/dbraw/zinc/08/00/67/799080067.db2.gz RMSZWHDIHKMYFU-UWVGGRQHSA-N 1 1 284.197 3.385 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000246733579 799153184 /nfs/dbraw/zinc/15/31/84/799153184.db2.gz NZUBLPJRDSCGQA-GOEBONIOSA-N 1 1 275.392 3.010 20 10 CGCDMO CC(C)[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCCO1 ZINC000394506748 799497069 /nfs/dbraw/zinc/49/70/69/799497069.db2.gz WFJBYXKFPDXTAQ-HNNXBMFYSA-N 1 1 283.799 3.293 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1ccc(F)cc1O ZINC000688885156 799757607 /nfs/dbraw/zinc/75/76/07/799757607.db2.gz SLIVOWDEKXAJLQ-NTZNESFSSA-N 1 1 267.344 3.140 20 10 CGCDMO C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccc(F)cc1O ZINC000689225082 799762258 /nfs/dbraw/zinc/76/22/58/799762258.db2.gz NBDMCFFXUGOEST-PELKAZGASA-N 1 1 259.271 3.227 20 10 CGCDMO CC1(C)CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000707136454 799973020 /nfs/dbraw/zinc/97/30/20/799973020.db2.gz RVJFSUZYXIOCMO-UHFFFAOYSA-N 1 1 284.197 3.387 20 10 CGCDMO C[C@@H]1CCC[N@H+]1Cc1c(O)cccc1Br ZINC000707171899 799975542 /nfs/dbraw/zinc/97/55/42/799975542.db2.gz OCEGQHSRQFFILR-SECBINFHSA-N 1 1 270.170 3.139 20 10 CGCDMO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708435309 799988738 /nfs/dbraw/zinc/98/87/38/799988738.db2.gz ZLUCDVHUVLSXDZ-LBPRGKRZSA-N 1 1 295.251 3.445 20 10 CGCDMO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708435309 799988727 /nfs/dbraw/zinc/98/87/27/799988727.db2.gz ZLUCDVHUVLSXDZ-LBPRGKRZSA-N 1 1 295.251 3.445 20 10 CGCDMO C[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708435309 799988735 /nfs/dbraw/zinc/98/87/35/799988735.db2.gz ZLUCDVHUVLSXDZ-LBPRGKRZSA-N 1 1 295.251 3.445 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCCC12CC2 ZINC000708410380 799988918 /nfs/dbraw/zinc/98/89/18/799988918.db2.gz YBJYDAQHZGSKBU-GFCCVEGCSA-N 1 1 253.292 3.093 20 10 CGCDMO CC(C)(C[NH3+])C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000714484407 800124676 /nfs/dbraw/zinc/12/46/76/800124676.db2.gz CXRQDIGCVZICOX-UHFFFAOYSA-N 1 1 296.842 3.243 20 10 CGCDMO C[C@@H](Cc1ccccn1)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001256427415 806894237 /nfs/dbraw/zinc/89/42/37/806894237.db2.gz WNGWREDCMHRSMJ-HNNXBMFYSA-N 1 1 283.419 3.211 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CC[C@@H](OC)C1)c1ccc(F)cc1O ZINC001117114006 802434635 /nfs/dbraw/zinc/43/46/35/802434635.db2.gz ZJWQLWXAAQVUBZ-BZPMIXESSA-N 1 1 267.344 3.140 20 10 CGCDMO CC[N@@H+](Cc1cnc2cc(C)ccn12)Cc1ccccc1O ZINC001136891139 803659488 /nfs/dbraw/zinc/65/94/88/803659488.db2.gz KGHBXAXFLJDBNN-UHFFFAOYSA-N 1 1 295.386 3.370 20 10 CGCDMO CC[N@H+](Cc1c(C)nn(C)c1Cl)Cc1ccccc1O ZINC001137750311 803767548 /nfs/dbraw/zinc/76/75/48/803767548.db2.gz RSLWWUQDIUGASQ-UHFFFAOYSA-N 1 1 293.798 3.110 20 10 CGCDMO CC[N@@H+](Cc1c(C)nn(C)c1Cl)Cc1ccccc1O ZINC001137750311 803767555 /nfs/dbraw/zinc/76/75/55/803767555.db2.gz RSLWWUQDIUGASQ-UHFFFAOYSA-N 1 1 293.798 3.110 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2c(O)cccc2F)CCC[C@@H]1C ZINC001137831759 803778002 /nfs/dbraw/zinc/77/80/02/803778002.db2.gz MKJSONBQXXXGDH-RYUDHWBXSA-N 1 1 251.345 3.399 20 10 CGCDMO C[C@H]1C[N@H+](Cc2c(O)cccc2F)CCC[C@@H]1C ZINC001137831759 803778004 /nfs/dbraw/zinc/77/80/04/803778004.db2.gz MKJSONBQXXXGDH-RYUDHWBXSA-N 1 1 251.345 3.399 20 10 CGCDMO C[C@@H]1CCC[N@H+](Cc2c(O)cccc2F)C[C@H]1C ZINC001137831760 803778746 /nfs/dbraw/zinc/77/87/46/803778746.db2.gz MKJSONBQXXXGDH-VXGBXAGGSA-N 1 1 251.345 3.399 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2c(O)cccc2F)C[C@H]1C ZINC001137831760 803778751 /nfs/dbraw/zinc/77/87/51/803778751.db2.gz MKJSONBQXXXGDH-VXGBXAGGSA-N 1 1 251.345 3.399 20 10 CGCDMO [O-]c1cccc(F)c1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC001137839120 803779795 /nfs/dbraw/zinc/77/97/95/803779795.db2.gz RRVMEKWBPBPGFH-OAHLLOKOSA-N 1 1 257.308 3.478 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC001137839120 803779799 /nfs/dbraw/zinc/77/97/99/803779799.db2.gz RRVMEKWBPBPGFH-OAHLLOKOSA-N 1 1 257.308 3.478 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC001137839120 803779804 /nfs/dbraw/zinc/77/98/04/803779804.db2.gz RRVMEKWBPBPGFH-OAHLLOKOSA-N 1 1 257.308 3.478 20 10 CGCDMO Cc1cc(C[N@@H+]2CC[C@@H](O)C[C@@H]2C)c(C)n1-c1ccccc1 ZINC001137858176 803785463 /nfs/dbraw/zinc/78/54/63/803785463.db2.gz ZNWODWVINPJADP-IFXJQAMLSA-N 1 1 298.430 3.439 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccncn1 ZINC001138222124 803874500 /nfs/dbraw/zinc/87/45/00/803874500.db2.gz HIOGYXQMVLGMHW-UHFFFAOYSA-N 1 1 296.418 3.099 20 10 CGCDMO Cc1c(CN2CC[N@H+]3CCCC[C@@H]3C2)c2ccccc2n1C ZINC001138256782 803881845 /nfs/dbraw/zinc/88/18/45/803881845.db2.gz KMZYFGPESGVXCV-MRXNPFEDSA-N 1 1 297.446 3.157 20 10 CGCDMO CSCC[N@@H+](C)Cc1c(C)n(C)c2ccccc21 ZINC001138259347 803884012 /nfs/dbraw/zinc/88/40/12/803884012.db2.gz GOJQSQGPTZZFCG-UHFFFAOYSA-N 1 1 262.422 3.282 20 10 CGCDMO Oc1c(C[N@H+]2C[C@H]3CC[C@@H]2C3)cc2c3c1CCCN3CCC2 ZINC001138339579 803899506 /nfs/dbraw/zinc/89/95/06/803899506.db2.gz HPOWPPPDDZKQRF-XJKSGUPXSA-N 1 1 298.430 3.075 20 10 CGCDMO CC[N@@H+](Cc1cnc2[nH]ccc2c1)Cc1ccccc1O ZINC001138737290 804026391 /nfs/dbraw/zinc/02/63/91/804026391.db2.gz GAGWDOPWWXDMSA-UHFFFAOYSA-N 1 1 281.359 3.291 20 10 CGCDMO CCCC[C@H]1C[C@H](NCc2ccc3c(c2)CCO3)CC[NH2+]1 ZINC001246199186 804205429 /nfs/dbraw/zinc/20/54/29/804205429.db2.gz KDBYVWVDWQZMCI-DLBZAZTESA-N 1 1 288.435 3.022 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@](C)(F)[C@@H](F)C2)ccc1N(C)C ZINC001139669615 804245016 /nfs/dbraw/zinc/24/50/16/804245016.db2.gz DLUNKFJSEUKREA-HOTGVXAUSA-N 1 1 282.378 3.333 20 10 CGCDMO Cc1cc(C[N@H+]2CC3CCC2CC3)ccc1N(C)C ZINC001139673512 804247025 /nfs/dbraw/zinc/24/70/25/804247025.db2.gz SIFMVMUJJFUEJS-UHFFFAOYSA-N 1 1 258.409 3.435 20 10 CGCDMO COc1ncc(Cl)cc1C[N@H+](C)Cc1ccccc1O ZINC001139749374 804273671 /nfs/dbraw/zinc/27/36/71/804273671.db2.gz XCRQADTUJKQJKC-UHFFFAOYSA-N 1 1 292.766 3.081 20 10 CGCDMO COc1ncc(Cl)cc1C[N@@H+](C)Cc1ccccc1O ZINC001139749374 804273680 /nfs/dbraw/zinc/27/36/80/804273680.db2.gz XCRQADTUJKQJKC-UHFFFAOYSA-N 1 1 292.766 3.081 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001140057408 804364784 /nfs/dbraw/zinc/36/47/84/804364784.db2.gz GKILFOAVTBIQHK-LBPRGKRZSA-N 1 1 277.261 3.101 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCC3(C2)CCOCC3)c1O ZINC001140179694 804396844 /nfs/dbraw/zinc/39/68/44/804396844.db2.gz MHTQCIGZZAZYCH-UHFFFAOYSA-N 1 1 275.392 3.012 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001140339190 804420517 /nfs/dbraw/zinc/42/05/17/804420517.db2.gz UUYFZWWXVYNSJS-ABAIWWIYSA-N 1 1 281.783 3.047 20 10 CGCDMO Cc1nc2c(s1)C[N@H+](Cc1c(O)cccc1Cl)CC2 ZINC001140341191 804420745 /nfs/dbraw/zinc/42/07/45/804420745.db2.gz BKGWDFWDRAMTJV-UHFFFAOYSA-N 1 1 294.807 3.369 20 10 CGCDMO Cc1nc2c(s1)C[N@@H+](Cc1c(O)cccc1Cl)CC2 ZINC001140341191 804420747 /nfs/dbraw/zinc/42/07/47/804420747.db2.gz BKGWDFWDRAMTJV-UHFFFAOYSA-N 1 1 294.807 3.369 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001140463082 804441231 /nfs/dbraw/zinc/44/12/31/804441231.db2.gz RWHSMNPTVDSVSP-XHDPSFHLSA-N 1 1 281.783 3.047 20 10 CGCDMO CC1(C)[C@@H]2C[N@H+](Cc3ccc(Cl)cc3O)C[C@@H]21 ZINC001140465868 804443815 /nfs/dbraw/zinc/44/38/15/804443815.db2.gz SSFGFAUZJPDASS-TXEJJXNPSA-N 1 1 251.757 3.133 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H]2COCc2ccccc2)c1 ZINC001140621291 804476199 /nfs/dbraw/zinc/47/61/99/804476199.db2.gz URTIZQUCDRAWIA-SFHVURJKSA-N 1 1 297.398 3.492 20 10 CGCDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc(C)ccc1O ZINC001140621330 804476845 /nfs/dbraw/zinc/47/68/45/804476845.db2.gz WIFMBTVTPNEXCP-HNNXBMFYSA-N 1 1 263.381 3.090 20 10 CGCDMO COc1cc2c(cc1OC)C[NH+](Cc1cc(C)ccc1O)C2 ZINC001140624228 804478676 /nfs/dbraw/zinc/47/86/76/804478676.db2.gz LUTJJWQLOXQSBY-UHFFFAOYSA-N 1 1 299.370 3.234 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c1O ZINC001140742649 804502488 /nfs/dbraw/zinc/50/24/88/804502488.db2.gz TXRHQXVTFPOOAR-OAHLLOKOSA-N 1 1 284.359 3.138 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CCC[C@](C)(F)CC2)c1O ZINC001140742640 804503075 /nfs/dbraw/zinc/50/30/75/804503075.db2.gz TVBWYLBAXYXRRJ-HNNXBMFYSA-N 1 1 267.344 3.120 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2Cl)CCCO1 ZINC001140921538 804548799 /nfs/dbraw/zinc/54/87/99/804548799.db2.gz HJQFEGMVTOUIJC-GFCCVEGCSA-N 1 1 282.815 3.017 20 10 CGCDMO CN(C)c1ccc(C[NH+]2CC(C)(C)C2)c(Cl)c1 ZINC001140921786 804549638 /nfs/dbraw/zinc/54/96/38/804549638.db2.gz PZWQPKBWEWNPFR-UHFFFAOYSA-N 1 1 252.789 3.248 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2Cl)[C@@H](C)C1 ZINC001140927520 804551377 /nfs/dbraw/zinc/55/13/77/804551377.db2.gz SWFCOBINNGCTQN-WFASDCNBSA-N 1 1 296.842 3.405 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@](C)(F)CC2)c(O)c1 ZINC001140948157 804555734 /nfs/dbraw/zinc/55/57/34/804555734.db2.gz VWUZMYUMZRHZLX-HNNXBMFYSA-N 1 1 251.345 3.415 20 10 CGCDMO Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(C)cc3O)C2)nc1 ZINC001140954448 804558767 /nfs/dbraw/zinc/55/87/67/804558767.db2.gz RWUZTMKYFVXXAO-INIZCTEOSA-N 1 1 298.386 3.057 20 10 CGCDMO Cc1cccc(C[N@H+](C)Cc2ccc3c(c2)OCCN3C)c1 ZINC001141141019 804596917 /nfs/dbraw/zinc/59/69/17/804596917.db2.gz SCJQYLXBLADWHW-UHFFFAOYSA-N 1 1 296.414 3.456 20 10 CGCDMO C[N@@H+](Cc1cccc(Cl)c1)Cc1cc(O)ccc1O ZINC001141158782 804600415 /nfs/dbraw/zinc/60/04/15/804600415.db2.gz NEYZFLBHAUCRAM-UHFFFAOYSA-N 1 1 277.751 3.383 20 10 CGCDMO CC1(C)C[N@@H+](Cc2cc(O)ccc2O)Cc2ccccc21 ZINC001141159167 804600663 /nfs/dbraw/zinc/60/06/63/804600663.db2.gz APVILKYWHMQAEP-UHFFFAOYSA-N 1 1 283.371 3.391 20 10 CGCDMO COc1ccc2c(c1)C[N@H+](Cc1cc(O)ccc1O)CCC2 ZINC001141162467 804601217 /nfs/dbraw/zinc/60/12/17/804601217.db2.gz SSFQLXAAWRRBFG-UHFFFAOYSA-N 1 1 299.370 3.055 20 10 CGCDMO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142525041 804731787 /nfs/dbraw/zinc/73/17/87/804731787.db2.gz UUIQQOWVSYCHHC-VHSXEESVSA-N 1 1 255.308 3.291 20 10 CGCDMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142525041 804731785 /nfs/dbraw/zinc/73/17/85/804731785.db2.gz UUIQQOWVSYCHHC-VHSXEESVSA-N 1 1 255.308 3.291 20 10 CGCDMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142525041 804731790 /nfs/dbraw/zinc/73/17/90/804731790.db2.gz UUIQQOWVSYCHHC-VHSXEESVSA-N 1 1 255.308 3.291 20 10 CGCDMO CC[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142527058 804734192 /nfs/dbraw/zinc/73/41/92/804734192.db2.gz IYIFYYWDAYBYNR-JTQLQIEISA-N 1 1 255.308 3.292 20 10 CGCDMO CC[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142527058 804734197 /nfs/dbraw/zinc/73/41/97/804734197.db2.gz IYIFYYWDAYBYNR-JTQLQIEISA-N 1 1 255.308 3.292 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccnc3[nH]ccc32)cc1 ZINC001142883942 804780303 /nfs/dbraw/zinc/78/03/03/804780303.db2.gz SRBQSPQKMCFRME-UHFFFAOYSA-N 1 1 294.402 3.261 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CCCC[C@](C)(O)C2)c1O ZINC001143104600 804801048 /nfs/dbraw/zinc/80/10/48/804801048.db2.gz WBKCGLFKMIYYEU-SFHVURJKSA-N 1 1 291.435 3.427 20 10 CGCDMO C[N@@H+](Cc1cccc(C(C)(C)C)c1O)C1CCOCC1 ZINC001143103314 804801964 /nfs/dbraw/zinc/80/19/64/804801964.db2.gz ACWQMMMESSNBGS-UHFFFAOYSA-N 1 1 277.408 3.301 20 10 CGCDMO CN(C)C[C@@H]1CCC[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143110513 804804260 /nfs/dbraw/zinc/80/42/60/804804260.db2.gz HODLIPUIXGXSAW-HNNXBMFYSA-N 1 1 290.451 3.216 20 10 CGCDMO C[NH+](C)C[C@@H]1CCCN1Cc1cccc(C(C)(C)C)c1O ZINC001143110513 804804266 /nfs/dbraw/zinc/80/42/66/804804266.db2.gz HODLIPUIXGXSAW-HNNXBMFYSA-N 1 1 290.451 3.216 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1cccc3cc[nH]c31)CC2 ZINC001144718597 805038781 /nfs/dbraw/zinc/03/87/81/805038781.db2.gz SKGBOVCBSDXJSZ-UHFFFAOYSA-N 1 1 278.355 3.432 20 10 CGCDMO Oc1cc(F)c(F)cc1Nc1cc[nH+]cc1C(F)(F)F ZINC001249593528 805185115 /nfs/dbraw/zinc/18/51/15/805185115.db2.gz PUCPEESFZIHPJI-UHFFFAOYSA-N 1 1 290.191 3.250 20 10 CGCDMO CC[N@@H+](Cc1ccc(OC)c(C)n1)Cc1ccccc1O ZINC001249906360 805296206 /nfs/dbraw/zinc/29/62/06/805296206.db2.gz DNRJZBRWKDAICN-UHFFFAOYSA-N 1 1 286.375 3.126 20 10 CGCDMO COc1cc(C[N@@H+](C)Cc2ccccc2O)cnc1Cl ZINC001249930907 805312538 /nfs/dbraw/zinc/31/25/38/805312538.db2.gz AFBWQSNHWFRJQE-UHFFFAOYSA-N 1 1 292.766 3.081 20 10 CGCDMO Cc1cc(C[NH+]2CC(C)(C)C2)c(O)cc1Br ZINC001250120256 805428098 /nfs/dbraw/zinc/42/80/98/805428098.db2.gz AAINDIQCWLLAEE-UHFFFAOYSA-N 1 1 284.197 3.305 20 10 CGCDMO CC[C@H](C)[NH2+]Cc1cc(Cl)c2cccnc2c1O ZINC001257430115 807152588 /nfs/dbraw/zinc/15/25/88/807152588.db2.gz FFYJBKMAWTUYFT-VIFPVBQESA-N 1 1 264.756 3.482 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@@H]1CCCSC1 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COCC1(C[NH2+]Cc2cc(F)cc(F)c2O)CCCCC1 ZINC001202677732 812150520 /nfs/dbraw/zinc/15/05/20/812150520.db2.gz YCVWTLJWFXBOOE-UHFFFAOYSA-N 1 1 299.361 3.357 20 10 CGCDMO C[C@H]1CN(Cc2ccccc2O)CC[N@H+]1C1CCCCC1 ZINC001203562719 812394051 /nfs/dbraw/zinc/39/40/51/812394051.db2.gz OZUBWDWWPMAGEJ-HNNXBMFYSA-N 1 1 288.435 3.231 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@H](C)[C@H](C)C2)c(O)c1 ZINC001203621313 812409315 /nfs/dbraw/zinc/40/93/15/812409315.db2.gz SOWSXKQCYRUNCH-QWHCGFSZSA-N 1 1 263.381 3.269 20 10 CGCDMO C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(O)cc1O ZINC001204281058 812596875 /nfs/dbraw/zinc/59/68/75/812596875.db2.gz OVEWWVGWWPXDJL-LBPRGKRZSA-N 1 1 269.344 3.045 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@@H](c3ccccc3)C2)cc(O)c1O ZINC001204343841 812615704 /nfs/dbraw/zinc/61/57/04/812615704.db2.gz TTXUFRHSAITKOI-OAHLLOKOSA-N 1 1 299.370 3.096 20 10 CGCDMO COc1cc(C[N@@H+](C)Cc2ccccc2C)cc(O)c1O ZINC001204343568 812616130 /nfs/dbraw/zinc/61/61/30/812616130.db2.gz TZHGLCGLYHVROF-UHFFFAOYSA-N 1 1 287.359 3.047 20 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/nfs/dbraw/zinc/28/70/43/813287043.db2.gz RXAYSZCOQDTZRW-LJQANCHMSA-N 1 1 298.430 3.496 20 10 CGCDMO Cc1cc(Cl)ncc1C[N@H+](C)Cc1ccccc1O ZINC001209634446 814102245 /nfs/dbraw/zinc/10/22/45/814102245.db2.gz SABIHESRPYRFFC-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO CCOc1ccc(-c2[nH+]ccc3c2ccn3C)c(C)n1 ZINC001222086419 816344280 /nfs/dbraw/zinc/34/42/80/816344280.db2.gz KHTLAQWNWJUPLV-UHFFFAOYSA-N 1 1 267.332 3.342 20 10 CGCDMO CCCC[NH+]1CCN(Cc2c(O)ccc3ccccc32)CC1 ZINC001231590112 818130012 /nfs/dbraw/zinc/13/00/12/818130012.db2.gz KDADRUXNUDBNCD-UHFFFAOYSA-N 1 1 298.430 3.463 20 10 CGCDMO Cc1cccc(C[NH+]2CC(Oc3ccccc3F)C2)c1O ZINC001231593607 818131412 /nfs/dbraw/zinc/13/14/12/818131412.db2.gz KFQGKHVNEKLNRZ-UHFFFAOYSA-N 1 1 287.334 3.103 20 10 CGCDMO Cc1cccc(C[N@@H+]2CCN(C)[C@H](c3ccccc3)C2)c1O ZINC001231593909 818131645 /nfs/dbraw/zinc/13/16/45/818131645.db2.gz WQAZIENZHLLUQB-SFHVURJKSA-N 1 1 296.414 3.189 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@@H](Oc3ccncc3)C2)c1O ZINC001231595519 818133986 /nfs/dbraw/zinc/13/39/86/818133986.db2.gz XZRDUPSJNXSXJS-QGZVFWFLSA-N 1 1 298.386 3.139 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@@H](c3ccncc3)C2)c(O)c1 ZINC001231843797 818186481 /nfs/dbraw/zinc/18/64/81/818186481.db2.gz AUMIKSNUTLPKSY-MRXNPFEDSA-N 1 1 282.387 3.394 20 10 CGCDMO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC001231870334 818194434 /nfs/dbraw/zinc/19/44/34/818194434.db2.gz UVYMPYIRFFUNKK-AWEZNQCLSA-N 1 1 281.783 3.298 20 10 CGCDMO CC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC001231870334 818194439 /nfs/dbraw/zinc/19/44/39/818194439.db2.gz UVYMPYIRFFUNKK-AWEZNQCLSA-N 1 1 281.783 3.298 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCC[C@]1(C)O ZINC001231909652 818209094 /nfs/dbraw/zinc/20/90/94/818209094.db2.gz GXUFOGSBIJOQJN-ABAIWWIYSA-N 1 1 283.799 3.029 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cc(OC)ccn1 ZINC001231969655 818219963 /nfs/dbraw/zinc/21/99/63/818219963.db2.gz OVNJIZJJSHSVCT-UHFFFAOYSA-N 1 1 299.418 3.178 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232261269 818295906 /nfs/dbraw/zinc/29/59/06/818295906.db2.gz YDYVPXFDLYPPGS-JTQLQIEISA-N 1 1 269.772 3.373 20 10 CGCDMO CCC[N@H+](Cc1ccc(N(C)C)cc1O)CC1CC1 ZINC001232835188 818451748 /nfs/dbraw/zinc/45/17/48/818451748.db2.gz YXDSIHSAZSIILO-UHFFFAOYSA-N 1 1 262.397 3.080 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2O)C[C@H]1C ZINC001232834855 818451861 /nfs/dbraw/zinc/45/18/61/818451861.db2.gz OSTUFCNUHJBBGJ-UONOGXRCSA-N 1 1 276.424 3.326 20 10 CGCDMO Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233011744 818500494 /nfs/dbraw/zinc/50/04/94/818500494.db2.gz BZJKQHKNHKHKOJ-HNNXBMFYSA-N 1 1 299.370 3.449 20 10 CGCDMO CCOC(=O)c1c(C[N@@H+](C)C(C)C)c2ccccc2n1C ZINC001233270668 818560080 /nfs/dbraw/zinc/56/00/80/818560080.db2.gz VWTQISOITCMUJD-UHFFFAOYSA-N 1 1 288.391 3.195 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCCCC23COC3)c1 ZINC001233286412 818568093 /nfs/dbraw/zinc/56/80/93/818568093.db2.gz STKHEXIAZVZWIZ-UHFFFAOYSA-N 1 1 289.419 3.445 20 10 CGCDMO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001233286803 818568822 /nfs/dbraw/zinc/56/88/22/818568822.db2.gz JGVUYYDSBRDUNE-YJBOKZPZSA-N 1 1 289.419 3.443 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)CC23CC3)c1O ZINC001233290770 818569718 /nfs/dbraw/zinc/56/97/18/818569718.db2.gz VGCKBQSOXKRHNQ-JTQLQIEISA-N 1 1 281.783 3.429 20 10 CGCDMO CCCOC1CC[NH+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233334669 818585562 /nfs/dbraw/zinc/58/55/62/818585562.db2.gz PIGLXUXFJLGOEU-UHFFFAOYSA-N 1 1 285.334 3.061 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233416171 818615458 /nfs/dbraw/zinc/61/54/58/818615458.db2.gz YNWNNUQOEBJZBP-SECBINFHSA-N 1 1 259.271 3.253 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233416171 818615461 /nfs/dbraw/zinc/61/54/61/818615461.db2.gz YNWNNUQOEBJZBP-SECBINFHSA-N 1 1 259.271 3.253 20 10 CGCDMO C[N@H+](Cc1cc(O)c(O)cc1O)Cc1ccccc1Cl ZINC001233485438 818624944 /nfs/dbraw/zinc/62/49/44/818624944.db2.gz VXXQTCFRCAFXPB-UHFFFAOYSA-N 1 1 293.750 3.089 20 10 CGCDMO C[N@@H+](Cc1cc(O)c(O)cc1O)Cc1ccccc1Cl ZINC001233485438 818624950 /nfs/dbraw/zinc/62/49/50/818624950.db2.gz VXXQTCFRCAFXPB-UHFFFAOYSA-N 1 1 293.750 3.089 20 10 CGCDMO C[N@@H+](Cc1ccc(C(C)(C)C)cc1O)[C@H]1CC[C@H](O)CC1 ZINC001235676944 819136329 /nfs/dbraw/zinc/13/63/29/819136329.db2.gz YCWOGBYXFGDFBC-WKILWMFISA-N 1 1 291.435 3.425 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c(O)c1 ZINC001235677413 819138821 /nfs/dbraw/zinc/13/88/21/819138821.db2.gz DPFOFJUVTJQWKY-GJZGRUSLSA-N 1 1 289.419 3.158 20 10 CGCDMO CC(C)(C)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c(O)c1 ZINC001235681854 819140455 /nfs/dbraw/zinc/14/04/55/819140455.db2.gz LPMRJLSLWQNHCU-GASCZTMLSA-N 1 1 287.403 3.386 20 10 CGCDMO Cc1ccc([C@]2(C)C[N@@H+](Cc3ccc(N)cc3)CCO2)cc1 ZINC001235947983 819237769 /nfs/dbraw/zinc/23/77/69/819237769.db2.gz JGWBULQPCUEFGX-IBGZPJMESA-N 1 1 296.414 3.325 20 10 CGCDMO CCc1ccc(C[N@H+]2CC[C@](C)(F)[C@H](F)C2)c(O)c1 ZINC001236783896 819593518 /nfs/dbraw/zinc/59/35/18/819593518.db2.gz PNWLEEMILXTQLF-CABCVRRESA-N 1 1 269.335 3.227 20 10 CGCDMO CO[C@H]1CCC[N@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236792556 819596292 /nfs/dbraw/zinc/59/62/92/819596292.db2.gz FCNNHMCNNKJXKE-JTQLQIEISA-N 1 1 290.190 3.310 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236792556 819596296 /nfs/dbraw/zinc/59/62/96/819596296.db2.gz FCNNHMCNNKJXKE-JTQLQIEISA-N 1 1 290.190 3.310 20 10 CGCDMO COc1ccc(C[NH+]2CCCCCC2)c(O)c1Cl ZINC001236801078 819599902 /nfs/dbraw/zinc/59/99/02/819599902.db2.gz FMPLTQBJEGKKOD-UHFFFAOYSA-N 1 1 269.772 3.430 20 10 CGCDMO COc1cc(O)c(C[N@H+](C)C2CC(F)(F)C2)c(Cl)c1 ZINC001236797810 819600353 /nfs/dbraw/zinc/60/03/53/819600353.db2.gz JJJFAKBRISUAAH-UHFFFAOYSA-N 1 1 291.725 3.284 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)C2CC(F)(F)C2)c(Cl)c1 ZINC001236797810 819600357 /nfs/dbraw/zinc/60/03/57/819600357.db2.gz JJJFAKBRISUAAH-UHFFFAOYSA-N 1 1 291.725 3.284 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC[C@H](C)[C@@H]2C)c(O)c1 ZINC001236813363 819603756 /nfs/dbraw/zinc/60/37/56/819603756.db2.gz JCWZFLKCRVVCKE-AAEUAGOBSA-N 1 1 263.381 3.330 20 10 CGCDMO COc1ccc(C[N@H+]2CC[C@@H](OC)C[C@H]2C)c(O)c1Cl ZINC001236817775 819605824 /nfs/dbraw/zinc/60/58/24/819605824.db2.gz HISWFECBALBHDA-ZYHUDNBSSA-N 1 1 299.798 3.054 20 10 CGCDMO COc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)c(O)c1Cl ZINC001236817775 819605826 /nfs/dbraw/zinc/60/58/26/819605826.db2.gz HISWFECBALBHDA-ZYHUDNBSSA-N 1 1 299.798 3.054 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc3ccccc3cc2O)C[C@]1(C)O ZINC001236826187 819608009 /nfs/dbraw/zinc/60/80/09/819608009.db2.gz HXOCYZBFNKYFBV-ACJLOTCBSA-N 1 1 285.387 3.138 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2cc3ccccc3cc2O)[C@H]1CO ZINC001236827140 819609293 /nfs/dbraw/zinc/60/92/93/819609293.db2.gz PWJCHAWADCYVMP-GUYCJALGSA-N 1 1 285.387 3.138 20 10 CGCDMO CC(C)c1ccc(C[N@H+](C)CCN2CCCC2)c(O)c1 ZINC001237049645 819652694 /nfs/dbraw/zinc/65/26/94/819652694.db2.gz QSCKYYLKUBACCJ-UHFFFAOYSA-N 1 1 276.424 3.043 20 10 CGCDMO CC(C)c1ccc(C[N@@H+](C)CCN2CCCC2)c(O)c1 ZINC001237049645 819652697 /nfs/dbraw/zinc/65/26/97/819652697.db2.gz QSCKYYLKUBACCJ-UHFFFAOYSA-N 1 1 276.424 3.043 20 10 CGCDMO CC(C)c1ccc(CN2CC[C@@H]([N@H+](C)C(C)C)C2)c(O)c1 ZINC001237055392 819655124 /nfs/dbraw/zinc/65/51/24/819655124.db2.gz OANRWTRPWZHGSW-QGZVFWFLSA-N 1 1 290.451 3.430 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](N(C)C(C)C)C2)c(O)c1 ZINC001237055392 819655132 /nfs/dbraw/zinc/65/51/32/819655132.db2.gz OANRWTRPWZHGSW-QGZVFWFLSA-N 1 1 290.451 3.430 20 10 CGCDMO CC(C)c1ccc(C[N@@H+]2CC[C@@H](N(C)C(C)C)C2)c(O)c1 ZINC001237055392 819655149 /nfs/dbraw/zinc/65/51/49/819655149.db2.gz OANRWTRPWZHGSW-QGZVFWFLSA-N 1 1 290.451 3.430 20 10 CGCDMO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1c(O)ccc(Cl)c1Cl ZINC001237078561 819662746 /nfs/dbraw/zinc/66/27/46/819662746.db2.gz UQVLNBYCZSPPAR-IUCAKERBSA-N 1 1 290.190 3.044 20 10 CGCDMO C[C@H]1CC[C@@H](CO)[N@H+]1Cc1c(O)ccc(Cl)c1Cl ZINC001237078561 819662749 /nfs/dbraw/zinc/66/27/49/819662749.db2.gz UQVLNBYCZSPPAR-IUCAKERBSA-N 1 1 290.190 3.044 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)CC2OC=CC2=S)cc1 ZINC001237186910 819691560 /nfs/dbraw/zinc/69/15/60/819691560.db2.gz VSBBSMCMMJGVSE-UHFFFAOYSA-N 1 1 276.405 3.266 20 10 CGCDMO Cc1c(C[N@H+]2CCNC3=CCCC[C@H]32)c2ccccc2n1C ZINC001237220123 819700661 /nfs/dbraw/zinc/70/06/61/819700661.db2.gz QTBHAWQQEVLKTH-LJQANCHMSA-N 1 1 295.430 3.328 20 10 CGCDMO Cc1c(CN2CC[NH2+]C3=CCCC[C@H]32)c2ccccc2n1C ZINC001237220123 819700666 /nfs/dbraw/zinc/70/06/66/819700666.db2.gz QTBHAWQQEVLKTH-LJQANCHMSA-N 1 1 295.430 3.328 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCNC2=CCCC[C@H]21 ZINC001237224257 819702499 /nfs/dbraw/zinc/70/24/99/819702499.db2.gz CHXAUYZXUCQDCQ-GOSISDBHSA-N 1 1 294.398 3.387 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1ccccc1NC(C)=O ZINC001237411980 819747375 /nfs/dbraw/zinc/74/73/75/819747375.db2.gz FKQXNBAAYFYUEV-UHFFFAOYSA-N 1 1 298.386 3.373 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@H](C)C2)cc1Br ZINC001237677899 819803572 /nfs/dbraw/zinc/80/35/72/819803572.db2.gz RSNWVKKGAMFTFQ-VIFPVBQESA-N 1 1 284.197 3.305 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)C2CC2)cc1Br ZINC001237677516 819803723 /nfs/dbraw/zinc/80/37/23/819803723.db2.gz OEQMFFXFBRHHAU-UHFFFAOYSA-N 1 1 270.170 3.057 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@@H](C)[C@@H](C)C2)c(O)c(OC)c1 ZINC001237675641 819804888 /nfs/dbraw/zinc/80/48/88/819804888.db2.gz ZSQWAPFJPMGDIS-OLZOCXBDSA-N 1 1 293.407 3.277 20 10 CGCDMO C[N@H+](Cc1cc(F)cc(Cl)c1[O-])C[C@@H]1CCCCO1 ZINC001237798435 819846369 /nfs/dbraw/zinc/84/63/69/819846369.db2.gz FKQXBUWGQHFODX-LBPRGKRZSA-N 1 1 287.762 3.186 20 10 CGCDMO C[C@H]1C[C@H]2C[N@H+](Cc3cc(F)c(Cl)cc3O)CC[C@H]2O1 ZINC001237939542 819890552 /nfs/dbraw/zinc/89/05/52/819890552.db2.gz YFJOJDWBSXHQRJ-CCUNJIBTSA-N 1 1 299.773 3.184 20 10 CGCDMO C[C@H]1C[C@H]2C[N@@H+](Cc3cc(F)c(Cl)cc3O)CC[C@H]2O1 ZINC001237939542 819890565 /nfs/dbraw/zinc/89/05/65/819890565.db2.gz YFJOJDWBSXHQRJ-CCUNJIBTSA-N 1 1 299.773 3.184 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCS[C@H](C(C)C)C2)c(O)c1 ZINC001461944844 937608462 /nfs/dbraw/zinc/60/84/62/937608462.db2.gz WQPOMDVCMXVAEQ-INIZCTEOSA-N 1 1 295.448 3.283 20 10 CGCDMO Cc1ccc(C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c(O)c1 ZINC001462333146 937633330 /nfs/dbraw/zinc/63/33/30/937633330.db2.gz OCNPFJIUEZKYEG-ZDUSSCGKSA-N 1 1 293.407 3.110 20 10 CGCDMO COC[C@H](CC(C)(C)C)[NH2+]Cc1cc(F)c(F)cc1O ZINC001462385389 937637206 /nfs/dbraw/zinc/63/72/06/937637206.db2.gz GWKNVLYJWMFPJY-NSHDSACASA-N 1 1 287.350 3.211 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCO[C@@H](C(F)F)CC2)c1 ZINC001462511157 937646120 /nfs/dbraw/zinc/64/61/20/937646120.db2.gz VTHZHHKLHMEORF-OAHLLOKOSA-N 1 1 299.361 3.372 20 10 CGCDMO CCOC(=O)C[N@@H+](Cc1ccc(Cl)cc1O)CC(C)C ZINC001308559180 933133415 /nfs/dbraw/zinc/13/34/15/933133415.db2.gz CYRVFVVDJBCLKT-UHFFFAOYSA-N 1 1 299.798 3.067 20 10 CGCDMO CCOC(=O)C[N@H+](Cc1ccc(Cl)cc1O)CC(C)C ZINC001308559180 933133418 /nfs/dbraw/zinc/13/34/18/933133418.db2.gz CYRVFVVDJBCLKT-UHFFFAOYSA-N 1 1 299.798 3.067 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cc1Cl ZINC001308730954 933165817 /nfs/dbraw/zinc/16/58/17/933165817.db2.gz DHUKUBCPFVMKJP-BDJLRTHQSA-N 1 1 295.810 3.353 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cc1Cl ZINC001308730954 933165819 /nfs/dbraw/zinc/16/58/19/933165819.db2.gz DHUKUBCPFVMKJP-BDJLRTHQSA-N 1 1 295.810 3.353 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(C(C)C)ccc2O)C[C@@H]1C ZINC001308774966 933174098 /nfs/dbraw/zinc/17/40/98/933174098.db2.gz XAIGEMZHLZTJQD-SUMWQHHRSA-N 1 1 277.408 3.372 20 10 CGCDMO CC(C)OC(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC001318529133 933740857 /nfs/dbraw/zinc/74/08/57/933740857.db2.gz MLGQOUJRVGAQJW-UHFFFAOYSA-N 1 1 291.391 3.088 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N(C)C)c1ccc(F)cc1O ZINC001320410420 934045467 /nfs/dbraw/zinc/04/54/67/934045467.db2.gz BDWMWQSBMQDBPC-NILFDRSVSA-N 1 1 280.387 3.055 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](O)C23CCCC3)cc1 ZINC001324214303 934472836 /nfs/dbraw/zinc/47/28/36/934472836.db2.gz SXLRRJHJIBOJTQ-QGZVFWFLSA-N 1 1 288.435 3.022 20 10 CGCDMO CCOC(=O)C[N@H+](CCC(C)(C)C)Cc1ccccc1O ZINC001473572387 937811959 /nfs/dbraw/zinc/81/19/59/937811959.db2.gz OSYDKGXIIHMCDS-UHFFFAOYSA-N 1 1 293.407 3.194 20 10 CGCDMO CCOC(=O)C[N@@H+](CCC(C)(C)C)Cc1ccccc1O ZINC001473572387 937811961 /nfs/dbraw/zinc/81/19/61/937811961.db2.gz OSYDKGXIIHMCDS-UHFFFAOYSA-N 1 1 293.407 3.194 20 10 CGCDMO CS[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001327953023 935102022 /nfs/dbraw/zinc/10/20/22/935102022.db2.gz SKZPDBTUBFNLCV-MRXNPFEDSA-N 1 1 276.449 3.224 20 10 CGCDMO Cc1cc(C[N@@H+](C)CCC(F)(F)F)ccc1N(C)C ZINC001330327770 935286319 /nfs/dbraw/zinc/28/63/19/935286319.db2.gz LLMOCFIYQVQZHB-UHFFFAOYSA-N 1 1 274.330 3.445 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCS1 ZINC001330639677 935306021 /nfs/dbraw/zinc/30/60/21/935306021.db2.gz UYJHAVRIUPNSOH-CQSZACIVSA-N 1 1 276.449 3.224 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)c1c(O)cccc1F ZINC001332365913 935463104 /nfs/dbraw/zinc/46/31/04/935463104.db2.gz SEJHMWAMZYCLRO-AXFHLTTASA-N 1 1 255.308 3.463 20 10 CGCDMO C[N@@H+](CCCF)Cc1cc2c(cc1O)CCCC2 ZINC001333332280 935526776 /nfs/dbraw/zinc/52/67/76/935526776.db2.gz BSAVHPATGRVDAE-UHFFFAOYSA-N 1 1 251.345 3.062 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC[C@H]2C2CC2)c(O)c1 ZINC001474335996 937852419 /nfs/dbraw/zinc/85/24/19/937852419.db2.gz OCVQZYFHCBCETE-HNNXBMFYSA-N 1 1 261.365 3.084 20 10 CGCDMO Cc1ccc(C[N@H+](C)C2Cc3ccccc3C2)c(O)c1 ZINC001474366386 937854887 /nfs/dbraw/zinc/85/48/87/937854887.db2.gz OIRVDFHXZMPWGF-UHFFFAOYSA-N 1 1 267.372 3.300 20 10 CGCDMO Cc1ccc(C[N@H+]2CCSC[C@@H]2C2CCC2)c(O)c1 ZINC001474588481 937868699 /nfs/dbraw/zinc/86/86/99/937868699.db2.gz LZHMMICXWGYAIS-OAHLLOKOSA-N 1 1 277.433 3.418 20 10 CGCDMO CCCCC1([NH2+]Cc2cc(F)c(F)cc2O)CC1 ZINC001474744163 937878368 /nfs/dbraw/zinc/87/83/68/937878368.db2.gz FTOIIQZICZAIAD-UHFFFAOYSA-N 1 1 255.308 3.483 20 10 CGCDMO CCCC[N@@H+](CCCCC(=O)OC)Cc1ccccc1O ZINC001559790618 938235927 /nfs/dbraw/zinc/23/59/27/938235927.db2.gz YIELZEZDOORHSU-UHFFFAOYSA-N 1 1 293.407 3.338 20 10 CGCDMO CCN(C)c1ccc(C[N@H+](C)CCN2CCCCC2)cc1 ZINC001559956029 938239908 /nfs/dbraw/zinc/23/99/08/938239908.db2.gz JYNZEKAKQFEXED-UHFFFAOYSA-N 1 1 289.467 3.060 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)CCN2CCCCC2)cc1 ZINC001559956029 938239909 /nfs/dbraw/zinc/23/99/09/938239909.db2.gz JYNZEKAKQFEXED-UHFFFAOYSA-N 1 1 289.467 3.060 20 10 CGCDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092874800 345860593 /nfs/dbraw/zinc/86/05/93/345860593.db2.gz URMXDUFBTRNPFG-YJBOKZPZSA-N 1 1 288.435 3.144 20 10 CGCDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cccc(F)c1O ZINC000290627185 346425443 /nfs/dbraw/zinc/42/54/43/346425443.db2.gz XRMNKWXZVPJQMR-CQSZACIVSA-N 1 1 289.354 3.208 20 10 CGCDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cccc(F)c1O ZINC000290627185 346425446 /nfs/dbraw/zinc/42/54/46/346425446.db2.gz XRMNKWXZVPJQMR-CQSZACIVSA-N 1 1 289.354 3.208 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](OCC(C)C)C2)c1 ZINC000091964634 370084004 /nfs/dbraw/zinc/08/40/04/370084004.db2.gz PUJUAKRVHFCFKZ-INIZCTEOSA-N 1 1 293.407 3.038 20 10 CGCDMO CCCO[C@H]1CCC[N@@H+](Cc2cc(C)ccc2O)CC1 ZINC000093317541 370117944 /nfs/dbraw/zinc/11/79/44/370117944.db2.gz XTXUNDVZPGCTCS-INIZCTEOSA-N 1 1 277.408 3.482 20 10 CGCDMO C[C@@H]1C[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000293660812 372439993 /nfs/dbraw/zinc/43/99/93/372439993.db2.gz PPJJWUGDMAGTIV-NXEZZACHSA-N 1 1 287.762 3.089 20 10 CGCDMO CSC(C)(C)C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000168813172 372621140 /nfs/dbraw/zinc/62/11/40/372621140.db2.gz BNLFXYNPKPFXSC-SECBINFHSA-N 1 1 257.374 3.324 20 10 CGCDMO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2c(C)cc(C)cc2O)n[nH]1 ZINC000294678354 372665922 /nfs/dbraw/zinc/66/59/22/372665922.db2.gz HZLRMWRQXIBUPX-JSGCOSHPSA-N 1 1 287.407 3.322 20 10 CGCDMO C[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H](CO)c1ccccc1 ZINC000295062893 372690299 /nfs/dbraw/zinc/69/02/99/372690299.db2.gz OOIGFCSWVBYPFP-HNNXBMFYSA-N 1 1 291.778 3.211 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)CC1CCOCC1 ZINC000171827244 372837973 /nfs/dbraw/zinc/83/79/73/372837973.db2.gz HAGUGOBPVFNTRN-UHFFFAOYSA-N 1 1 263.381 3.031 20 10 CGCDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccnc(N)c1 ZINC000298141103 373289017 /nfs/dbraw/zinc/28/90/17/373289017.db2.gz OFOFMJILNAVTNG-UHFFFAOYSA-N 1 1 298.434 3.140 20 10 CGCDMO CC(C)[N@@H+](Cc1ccno1)Cc1ccc(N(C)C)cc1 ZINC000298770004 373405661 /nfs/dbraw/zinc/40/56/61/373405661.db2.gz CCFULZFWAMRJHG-UHFFFAOYSA-N 1 1 273.380 3.151 20 10 CGCDMO CCCO[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC000180135649 373968483 /nfs/dbraw/zinc/96/84/83/373968483.db2.gz ZYMFAXFVWLXRGX-HNNXBMFYSA-N 1 1 281.371 3.312 20 10 CGCDMO COc1cc(O)c(C[N@H+]2C[C@@H](C)CC[C@@H]2C)cc1OC ZINC000180310560 373988857 /nfs/dbraw/zinc/98/88/57/373988857.db2.gz CEFPVEQPPKEKEV-RYUDHWBXSA-N 1 1 279.380 3.030 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](C)C[C@H](C)c2nccs2)c1 ZINC000183259352 374393817 /nfs/dbraw/zinc/39/38/17/374393817.db2.gz KFQYZKRHAQUAJE-LBPRGKRZSA-N 1 1 276.405 3.393 20 10 CGCDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1ccccc1O ZINC000183287762 374398344 /nfs/dbraw/zinc/39/83/44/374398344.db2.gz OSWPSTZIOJXFQZ-UHFFFAOYSA-N 1 1 286.331 3.241 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000248907890 377427129 /nfs/dbraw/zinc/42/71/29/377427129.db2.gz XFEYAXQVSREDKR-IINYFYTJSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000248907890 377427136 /nfs/dbraw/zinc/42/71/36/377427136.db2.gz XFEYAXQVSREDKR-IINYFYTJSA-N 1 1 299.773 3.186 20 10 CGCDMO COc1cccc(C[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)c1O ZINC000271112467 378454600 /nfs/dbraw/zinc/45/46/00/378454600.db2.gz AECIHGVFXFWJIO-KKNUOHPOSA-N 1 1 287.403 3.411 20 10 CGCDMO Cc1[nH+]ccn1CCCOc1ccc(N2CCCC2)cc1 ZINC000271184616 378474332 /nfs/dbraw/zinc/47/43/32/378474332.db2.gz DKCTUYJJIWSDIF-UHFFFAOYSA-N 1 1 285.391 3.261 20 10 CGCDMO Cc1cccc(C[N@H+](C)[C@@H](CCO)c2ccccc2)c1O ZINC000271880341 378509961 /nfs/dbraw/zinc/50/99/61/378509961.db2.gz VAMUFCGKPOQFGO-KRWDZBQOSA-N 1 1 285.387 3.256 20 10 CGCDMO C[N@@H+](Cc1cc(F)ccc1O)[C@@H](CCO)c1ccccc1 ZINC000272298783 378607509 /nfs/dbraw/zinc/60/75/09/378607509.db2.gz PGRXKDSNXZXGNB-INIZCTEOSA-N 1 1 289.350 3.087 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2O)CCCO1 ZINC000281206540 379824472 /nfs/dbraw/zinc/82/44/72/379824472.db2.gz JJSFKUFBBKZVQP-CYBMUJFWSA-N 1 1 299.798 3.055 20 10 CGCDMO Cc1cccc(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)c1O ZINC000281268353 379826423 /nfs/dbraw/zinc/82/64/23/379826423.db2.gz NPTCDXNUNSPDKY-MRXNPFEDSA-N 1 1 285.391 3.161 20 10 CGCDMO CCCC[N@@H+](Cc1ccc(CO)o1)Cc1ccccc1O ZINC000282922779 380011893 /nfs/dbraw/zinc/01/18/93/380011893.db2.gz FHCHGDNLIZSFAL-UHFFFAOYSA-N 1 1 289.375 3.280 20 10 CGCDMO CCC[N@@H+](CCc1cnn(CC)c1)Cc1ccccc1O ZINC000285236678 380144103 /nfs/dbraw/zinc/14/41/03/380144103.db2.gz YJTSZEKORKLKSV-UHFFFAOYSA-N 1 1 287.407 3.063 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000285331888 380148761 /nfs/dbraw/zinc/14/87/61/380148761.db2.gz XNKOQCLWPNQCFX-DZGCQCFKSA-N 1 1 281.783 3.189 20 10 CGCDMO CC[C@@H]([NH2+]CC1([C@H](O)C(C)C)CC1)c1ccc(F)cc1O ZINC000286232686 380178749 /nfs/dbraw/zinc/17/87/49/380178749.db2.gz SWOMSLMOAXWRAG-GDBMZVCRSA-N 1 1 295.398 3.369 20 10 CGCDMO CC[C@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(F)cc1O ZINC000286277760 380188214 /nfs/dbraw/zinc/18/82/14/380188214.db2.gz VQJKVKVRKGBJEL-JKSUJKDBSA-N 1 1 289.350 3.306 20 10 CGCDMO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1ccc(F)cc1O ZINC000363845760 382258966 /nfs/dbraw/zinc/25/89/66/382258966.db2.gz BEOVZYYRPAGTCM-SZYCXQDTSA-N 1 1 293.382 3.386 20 10 CGCDMO Cc1ncsc1C[N@H+](C)Cc1cc(C)ccc1O ZINC000179429121 392699861 /nfs/dbraw/zinc/69/98/61/392699861.db2.gz WEQZFIHFYDYQJP-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO CSC1(C[NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000193820426 392886730 /nfs/dbraw/zinc/88/67/30/392886730.db2.gz KESPMNRVRZWKKF-VIFPVBQESA-N 1 1 255.358 3.078 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccc(N(C)C)cc1 ZINC000271511773 393252276 /nfs/dbraw/zinc/25/22/76/393252276.db2.gz NWNDCUZTYIPFEA-BLLLJJGKSA-N 1 1 284.407 3.204 20 10 CGCDMO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCc3c[nH]nc32)c1 ZINC000273521421 393275533 /nfs/dbraw/zinc/27/55/33/393275533.db2.gz UHPLXHZSGARYPD-SMDDNHRTSA-N 1 1 271.364 3.152 20 10 CGCDMO C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(F)cc1O ZINC000185162373 262043428 /nfs/dbraw/zinc/04/34/28/262043428.db2.gz ZSMRMEPXKCLCTK-QFYYESIMSA-N 1 1 293.313 3.055 20 10 CGCDMO C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccc(F)cc1O ZINC000185327899 262050682 /nfs/dbraw/zinc/05/06/82/262050682.db2.gz ANNFZSGWTDYOSA-MEDUHNTESA-N 1 1 281.371 3.123 20 10 CGCDMO C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc(F)cc1O ZINC000185454062 262054832 /nfs/dbraw/zinc/05/48/32/262054832.db2.gz ZIDMHZPBRRSCTG-YVEFUNNKSA-N 1 1 289.350 3.090 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1O ZINC000367689373 267109907 /nfs/dbraw/zinc/10/99/07/267109907.db2.gz UXCXDEFYVJWUJM-JKSUJKDBSA-N 1 1 289.419 3.339 20 10 CGCDMO CCO[C@@]1(C)C[C@H]1[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000527983418 330298459 /nfs/dbraw/zinc/29/84/59/330298459.db2.gz XMMISFMFJZSETA-YUELXQCFSA-N 1 1 267.344 3.140 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@](C)(O)CC2)cc1 ZINC000279667996 520890945 /nfs/dbraw/zinc/89/09/45/520890945.db2.gz MWJGYKPVCQXAOF-SFHVURJKSA-N 1 1 290.451 3.270 20 10 CGCDMO CCN(CC)c1ccc(C[NH2+]Cc2cc(C)no2)cc1 ZINC000044986164 520907237 /nfs/dbraw/zinc/90/72/37/520907237.db2.gz HSVANXAARWQCRP-UHFFFAOYSA-N 1 1 273.380 3.119 20 10 CGCDMO CCC[N@@H+](CCC1CCOCC1)Cc1ccccc1O ZINC000292540803 521651086 /nfs/dbraw/zinc/65/10/86/521651086.db2.gz GMUCBCRUDUBPEA-UHFFFAOYSA-N 1 1 277.408 3.421 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)c1nnc(C)o1 ZINC000076074287 521690949 /nfs/dbraw/zinc/69/09/49/521690949.db2.gz JWEDEGMSCQYJSV-NSHDSACASA-N 1 1 275.352 3.057 20 10 CGCDMO CCSc1cc(C[NH2+]Cc2cccc(F)c2O)ccn1 ZINC000275135633 521733930 /nfs/dbraw/zinc/73/39/30/521733930.db2.gz MHPIKMJYOQBVAD-UHFFFAOYSA-N 1 1 292.379 3.328 20 10 CGCDMO COc1cc(C[N@@H+](C)Cc2cc(C)ccc2O)ccc1O ZINC000125989355 522349363 /nfs/dbraw/zinc/34/93/63/522349363.db2.gz MRAWRYJUXXLYHJ-UHFFFAOYSA-N 1 1 287.359 3.047 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)c1ccc(C)cc1O ZINC000280026506 522736722 /nfs/dbraw/zinc/73/67/22/522736722.db2.gz HSRKRSAUEHVYMP-WBMJQRKESA-N 1 1 287.407 3.404 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)cc1C ZINC000280450844 525316237 /nfs/dbraw/zinc/31/62/37/525316237.db2.gz LHZBVLZQTRRYSH-ZBFHGGJFSA-N 1 1 277.408 3.134 20 10 CGCDMO C[C@@H]([NH2+]Cc1nccs1)c1ccc(N(C)C)cc1 ZINC000041012659 525564062 /nfs/dbraw/zinc/56/40/62/525564062.db2.gz BHRPRSLTYRESPJ-LLVKDONJSA-N 1 1 261.394 3.060 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000057100682 526356731 /nfs/dbraw/zinc/35/67/31/526356731.db2.gz LTTVFKLYGCMALR-WMZOPIPTSA-N 1 1 283.371 3.299 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291054986 526357122 /nfs/dbraw/zinc/35/71/22/526357122.db2.gz HKEWIAGDGWDZAP-HNNXBMFYSA-N 1 1 293.370 3.189 20 10 CGCDMO Cc1nc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cs1 ZINC000036915396 527064500 /nfs/dbraw/zinc/06/45/00/527064500.db2.gz OFMCDPMZVWVXAB-NSHDSACASA-N 1 1 275.421 3.368 20 10 CGCDMO CC1(C[N@@H+](Cc2ccccc2O)C2CCCC2)COC1 ZINC000743848692 572688452 /nfs/dbraw/zinc/68/84/52/572688452.db2.gz XVJVNQHIYQNANS-UHFFFAOYSA-N 1 1 275.392 3.173 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCCSC1)c1cc(F)cc(F)c1O ZINC000806177921 617818392 /nfs/dbraw/zinc/81/83/92/617818392.db2.gz ABEHEKYLEWRQJV-UWVGGRQHSA-N 1 1 287.375 3.464 20 10 CGCDMO Oc1c(F)cccc1C[NH+]1CCC(C(F)F)CC1 ZINC000307882972 618154918 /nfs/dbraw/zinc/15/49/18/618154918.db2.gz VALAWTQXHKGLIA-UHFFFAOYSA-N 1 1 259.271 3.008 20 10 CGCDMO COc1ccc(C[N@@H+](C2CC2)C2CCCC2)c(O)c1OC ZINC000891600758 618241236 /nfs/dbraw/zinc/24/12/36/618241236.db2.gz XCFLCTHYCQLISX-UHFFFAOYSA-N 1 1 291.391 3.316 20 10 CGCDMO COc1ccc(C[N@@H+]([C@H](C)C2CC2)C2CC2)c(O)c1OC ZINC000891669163 618244914 /nfs/dbraw/zinc/24/49/14/618244914.db2.gz WADKDIRJRABXIY-LLVKDONJSA-N 1 1 291.391 3.172 20 10 CGCDMO Cn1cc(C[N@@H+](C)Cc2ccccc2O)c(C2CCCC2)n1 ZINC000891713424 618254557 /nfs/dbraw/zinc/25/45/57/618254557.db2.gz DCTOALYHVXXDML-UHFFFAOYSA-N 1 1 299.418 3.415 20 10 CGCDMO CC[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000091929874 618369763 /nfs/dbraw/zinc/36/97/63/618369763.db2.gz SQYKBBIKXFCRLH-JTQLQIEISA-N 1 1 284.197 3.387 20 10 CGCDMO CC[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000091929874 618369771 /nfs/dbraw/zinc/36/97/71/618369771.db2.gz SQYKBBIKXFCRLH-JTQLQIEISA-N 1 1 284.197 3.387 20 10 CGCDMO COc1ccc(C[N@@H+](C)[C@@H](C)C2(C)CC2)c(O)c1OC ZINC000892217267 618600390 /nfs/dbraw/zinc/60/03/90/618600390.db2.gz CWWXHVRFPPOSCM-NSHDSACASA-N 1 1 279.380 3.030 20 10 CGCDMO C[C@H]([NH2+]Cc1cccc(F)c1O)c1ccsc1 ZINC000158761529 618734647 /nfs/dbraw/zinc/73/46/47/618734647.db2.gz AZXRBULUNOZCRI-VIFPVBQESA-N 1 1 251.326 3.444 20 10 CGCDMO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2O)C[C@@H]1C ZINC000158783782 618734695 /nfs/dbraw/zinc/73/46/95/618734695.db2.gz VZYYZRQMINAAEC-NTZNESFSSA-N 1 1 251.345 3.446 20 10 CGCDMO Cc1cccc(CC[NH2+][C@@H](C)c2ccc(F)cc2O)n1 ZINC000279957374 618761136 /nfs/dbraw/zinc/76/11/36/618761136.db2.gz CDGICRTWZNEKOQ-LBPRGKRZSA-N 1 1 274.339 3.128 20 10 CGCDMO CCc1cnc(CC[NH2+][C@H](C)c2ccc(F)cc2O)s1 ZINC000185583281 619062459 /nfs/dbraw/zinc/06/24/59/619062459.db2.gz UKGVASGKSYHXNQ-SNVBAGLBSA-N 1 1 294.395 3.444 20 10 CGCDMO C[C@H]1SCC[N@@H+](Cc2cc(Cl)ccc2O)[C@@H]1C ZINC000093500529 619202185 /nfs/dbraw/zinc/20/21/85/619202185.db2.gz GFMYWZMJYBOLPD-NXEZZACHSA-N 1 1 271.813 3.371 20 10 CGCDMO COc1cccc(CC[NH2+][C@@H](C)c2ccc(F)cc2O)c1 ZINC000185040381 619222151 /nfs/dbraw/zinc/22/21/51/619222151.db2.gz UHMZJMCVVDTWCF-LBPRGKRZSA-N 1 1 289.350 3.433 20 10 CGCDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894600704 619584117 /nfs/dbraw/zinc/58/41/17/619584117.db2.gz KTRUIVLYUFTVMT-XCBNKYQSSA-N 1 1 295.251 3.443 20 10 CGCDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894600704 619584121 /nfs/dbraw/zinc/58/41/21/619584121.db2.gz KTRUIVLYUFTVMT-XCBNKYQSSA-N 1 1 295.251 3.443 20 10 CGCDMO CC[N@H+](Cc1ccncc1)Cc1cc(F)cc(F)c1O ZINC000894762682 619628504 /nfs/dbraw/zinc/62/85/04/619628504.db2.gz XLXGLTLZHKLWRC-UHFFFAOYSA-N 1 1 278.302 3.088 20 10 CGCDMO CC[N@@H+](Cc1ccncc1)Cc1cc(F)cc(F)c1O ZINC000894762682 619628511 /nfs/dbraw/zinc/62/85/11/619628511.db2.gz XLXGLTLZHKLWRC-UHFFFAOYSA-N 1 1 278.302 3.088 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@@H](C2CC2)O1 ZINC000793220111 619706287 /nfs/dbraw/zinc/70/62/87/619706287.db2.gz RATWOMGDYVSWBN-BMIGLBTASA-N 1 1 281.783 3.045 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1Cl ZINC000895841567 619891792 /nfs/dbraw/zinc/89/17/92/619891792.db2.gz CSGYCARCMSSWRK-BLLLJJGKSA-N 1 1 295.810 3.355 20 10 CGCDMO [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895847219 619896472 /nfs/dbraw/zinc/89/64/72/619896472.db2.gz NBISRYUNVZUYJN-YGRLFVJLSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895847219 619896473 /nfs/dbraw/zinc/89/64/73/619896473.db2.gz NBISRYUNVZUYJN-YGRLFVJLSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895847219 619896475 /nfs/dbraw/zinc/89/64/75/619896475.db2.gz NBISRYUNVZUYJN-YGRLFVJLSA-N 1 1 299.773 3.186 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000896453949 620009148 /nfs/dbraw/zinc/00/91/48/620009148.db2.gz QXZYDYDQHARTNY-GFCCVEGCSA-N 1 1 291.338 3.180 20 10 CGCDMO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1c(O)cccc1F ZINC000896637536 620041414 /nfs/dbraw/zinc/04/14/14/620041414.db2.gz OOFDSUGKFOTUGS-LBPRGKRZSA-N 1 1 289.350 3.348 20 10 CGCDMO CSC(C)(C)CC[NH2+]Cc1c(O)cccc1F ZINC000896639913 620041535 /nfs/dbraw/zinc/04/15/35/620041535.db2.gz ZGIYXSSKWGVWRU-UHFFFAOYSA-N 1 1 257.374 3.153 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)c1O ZINC000897269454 620175666 /nfs/dbraw/zinc/17/56/66/620175666.db2.gz GETCSFFDRKZXBS-INIZCTEOSA-N 1 1 289.419 3.339 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)Cc2cccc(=O)[nH]2)c(Cl)c1 ZINC000897391222 620282544 /nfs/dbraw/zinc/28/25/44/620282544.db2.gz JEUAMBQUNKJQRJ-UHFFFAOYSA-N 1 1 292.766 3.087 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2cccc(=O)[nH]2)c(Cl)c1 ZINC000897391222 620282546 /nfs/dbraw/zinc/28/25/46/620282546.db2.gz JEUAMBQUNKJQRJ-UHFFFAOYSA-N 1 1 292.766 3.087 20 10 CGCDMO CCc1ccc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000841040439 620518732 /nfs/dbraw/zinc/51/87/32/620518732.db2.gz MRFBJFWXPLYVMI-IBGZPJMESA-N 1 1 297.446 3.105 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000898516176 620594856 /nfs/dbraw/zinc/59/48/56/620594856.db2.gz NNWOETNWCKNQIR-ZBFHGGJFSA-N 1 1 275.392 3.031 20 10 CGCDMO CC[C@H]([NH2+]CC1(C2(O)CCC2)CC1)c1ccc(F)cc1O ZINC000903258444 621646018 /nfs/dbraw/zinc/64/60/18/621646018.db2.gz VWNLACYQXQYMEV-AWEZNQCLSA-N 1 1 293.382 3.267 20 10 CGCDMO C[C@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccc(F)cc1O ZINC000903280141 621660306 /nfs/dbraw/zinc/66/03/06/621660306.db2.gz BCRBCDICRWNSBZ-BSROQFBASA-N 1 1 279.355 3.140 20 10 CGCDMO C[C@@H]([NH2+][C@@H](c1ncccn1)C1CC1)c1ccc(N(C)C)cc1 ZINC000903334335 621690088 /nfs/dbraw/zinc/69/00/88/621690088.db2.gz XSHOJDUHKRPUTQ-CXAGYDPISA-N 1 1 296.418 3.345 20 10 CGCDMO C[C@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1c(O)cccc1F ZINC000903367290 621716516 /nfs/dbraw/zinc/71/65/16/621716516.db2.gz HAPHNKLUPWRHKR-MQIPJXDCSA-N 1 1 291.366 3.141 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@H](C)CC2)cc1C(C)C ZINC000905742157 622103382 /nfs/dbraw/zinc/10/33/82/622103382.db2.gz ZVFDIRUOLOCAQW-CQSZACIVSA-N 1 1 277.408 3.435 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@]3(CCOC3)C2)cc1C(C)C ZINC000151284665 622758597 /nfs/dbraw/zinc/75/85/97/622758597.db2.gz VBJWMLAAQIEAFN-SFHVURJKSA-N 1 1 289.419 3.436 20 10 CGCDMO CC[N@@H+](Cc1cc(C)cc(OC)c1O)C1CCCC1 ZINC000164118023 622815491 /nfs/dbraw/zinc/81/54/91/622815491.db2.gz IPOHUEBWPRQLNY-UHFFFAOYSA-N 1 1 263.381 3.474 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c1O ZINC000164242529 622821515 /nfs/dbraw/zinc/82/15/15/622821515.db2.gz QDVMIBKGROSKDO-ZFWWWQNUSA-N 1 1 275.392 3.474 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c1 ZINC000164345525 622829458 /nfs/dbraw/zinc/82/94/58/622829458.db2.gz CDRRZMIQHFHZDY-STQMWFEESA-N 1 1 265.422 3.335 20 10 CGCDMO CC(C)C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1O)N(C)C ZINC000062745407 623264724 /nfs/dbraw/zinc/26/47/24/623264724.db2.gz UNCIAYSXDASZMA-TZMCWYRMSA-N 1 1 282.403 3.158 20 10 CGCDMO C[N@@H+](CC1=CCSC1)Cc1c(O)cccc1Cl ZINC000827805350 623470720 /nfs/dbraw/zinc/47/07/20/623470720.db2.gz IZBKROJFXIFJCR-UHFFFAOYSA-N 1 1 269.797 3.151 20 10 CGCDMO CC[N@H+](Cc1ccc(N2CCOCC2)cc1)CC(C)C ZINC000153690742 624022143 /nfs/dbraw/zinc/02/21/43/624022143.db2.gz NOUMIUBPVYYDPY-UHFFFAOYSA-N 1 1 276.424 3.001 20 10 CGCDMO CCC(CC)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000153904401 624123775 /nfs/dbraw/zinc/12/37/75/624123775.db2.gz ZABRTKARVIEEFL-UHFFFAOYSA-N 1 1 290.451 3.391 20 10 CGCDMO CC(C)OCC[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000917075568 624233342 /nfs/dbraw/zinc/23/33/42/624233342.db2.gz ZZFKNJNDTIKXPC-UHFFFAOYSA-N 1 1 278.440 3.388 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(C)cc1 ZINC000179579640 624666502 /nfs/dbraw/zinc/66/65/02/624666502.db2.gz QLKSMOSVTZSIHD-GOSISDBHSA-N 1 1 285.387 3.256 20 10 CGCDMO CCC[N@H+](Cc1cc(OC)ccc1O)C[C@H]1CCCCO1 ZINC000180068564 624714752 /nfs/dbraw/zinc/71/47/52/624714752.db2.gz QLFAWZAUMKRUJP-MRXNPFEDSA-N 1 1 293.407 3.182 20 10 CGCDMO Cc1cccc(C[N@@H+](CC(=O)OC(C)(C)C)C(C)C)c1O ZINC000180485625 624752754 /nfs/dbraw/zinc/75/27/54/624752754.db2.gz DTNSGJDXIBWCDZ-UHFFFAOYSA-N 1 1 293.407 3.253 20 10 CGCDMO Cc1cccc(C[N@H+](CC(=O)OC(C)(C)C)C(C)C)c1O ZINC000180485625 624752760 /nfs/dbraw/zinc/75/27/60/624752760.db2.gz DTNSGJDXIBWCDZ-UHFFFAOYSA-N 1 1 293.407 3.253 20 10 CGCDMO CC(C)(/C=C\Cl)[NH2+]Cc1cc(F)cc(F)c1O ZINC000922645635 626023710 /nfs/dbraw/zinc/02/37/10/626023710.db2.gz TZFDQGNJFLSFDI-ARJAWSKDSA-N 1 1 261.699 3.291 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@@H]2CC2(Cl)Cl)cc1 ZINC000838523517 626234175 /nfs/dbraw/zinc/23/41/75/626234175.db2.gz XTDDLWLDVFTRRS-LBPRGKRZSA-N 1 1 287.234 3.378 20 10 CGCDMO CCN(CC)c1ccc(C[NH+]2CC(C)(COC)C2)cc1F ZINC000839143887 626323672 /nfs/dbraw/zinc/32/36/72/626323672.db2.gz PAJHMVRFCHPYDE-UHFFFAOYSA-N 1 1 294.414 3.140 20 10 CGCDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000839170676 626324870 /nfs/dbraw/zinc/32/48/70/626324870.db2.gz RUDKOUSKSVDNPK-QGZVFWFLSA-N 1 1 276.424 3.144 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000753589574 626457297 /nfs/dbraw/zinc/45/72/97/626457297.db2.gz JSUAVRFGGRFHPA-LBPRGKRZSA-N 1 1 263.381 3.269 20 10 CGCDMO COC[C@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)C(C)C ZINC000754382690 626570250 /nfs/dbraw/zinc/57/02/50/626570250.db2.gz FPJJTNGHHZTIBQ-AWEZNQCLSA-N 1 1 299.798 3.009 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)CCS1 ZINC000754882372 626592394 /nfs/dbraw/zinc/59/23/94/626592394.db2.gz LLQCTAJSQXJOGL-GFCCVEGCSA-N 1 1 288.416 3.268 20 10 CGCDMO CC[NH+](CC)CCCN[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756339598 626693591 /nfs/dbraw/zinc/69/35/91/626693591.db2.gz CTIIICDFXBJKFQ-OCCSQVGLSA-N 1 1 294.414 3.401 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCC(C)C)c1 ZINC000756370875 626697653 /nfs/dbraw/zinc/69/76/53/626697653.db2.gz KNZGVZVXLWNUAZ-GFCCVEGCSA-N 1 1 279.380 3.266 20 10 CGCDMO C[C@H]([NH2+]CCOc1ccccc1)c1cc(F)cc(F)c1O ZINC000756370442 626697736 /nfs/dbraw/zinc/69/77/36/626697736.db2.gz IPEUNWAJGCLYBD-NSHDSACASA-N 1 1 293.313 3.400 20 10 CGCDMO CCCCOCC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756503425 626710715 /nfs/dbraw/zinc/71/07/15/626710715.db2.gz LJEQJRMZJRKDQJ-SNVBAGLBSA-N 1 1 273.323 3.138 20 10 CGCDMO Cc1ccn2cc(C[NH2+][C@@H](C)c3ccc(F)cc3O)nc2c1 ZINC000756534691 626713031 /nfs/dbraw/zinc/71/30/31/626713031.db2.gz MRXKQZCYFOHXJY-LBPRGKRZSA-N 1 1 299.349 3.338 20 10 CGCDMO C[C@H]([NH2+]CCN1[C@H](C)CCC[C@@H]1C)c1ccc(F)cc1O ZINC000756556990 626714338 /nfs/dbraw/zinc/71/43/38/626714338.db2.gz ZAJPOHGPRSBOEQ-MJBXVCDLSA-N 1 1 294.414 3.445 20 10 CGCDMO C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1cc(F)cc(F)c1O ZINC000756586722 626718665 /nfs/dbraw/zinc/71/86/65/626718665.db2.gz TZAGUWSYFFEYMZ-MEBBXXQBSA-N 1 1 293.313 3.055 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)C(C)C)c1 ZINC000756595088 626719104 /nfs/dbraw/zinc/71/91/04/626719104.db2.gz TUSYQDKQIRKBKU-VXGBXAGGSA-N 1 1 279.380 3.122 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1ccc(F)cc1O ZINC000756637016 626722907 /nfs/dbraw/zinc/72/29/07/626722907.db2.gz YTOSZGXEBDRJNJ-NWDGAFQWSA-N 1 1 274.339 3.208 20 10 CGCDMO C[C@H]([NH2+][C@H](CO)c1cccc(F)c1)c1ccc(F)cc1O ZINC000756710159 626727042 /nfs/dbraw/zinc/72/70/42/626727042.db2.gz BKGVQSFKRBRBFJ-ZUZCIYMTSA-N 1 1 293.313 3.055 20 10 CGCDMO C[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1ccc(F)cc1O ZINC000756710156 626727319 /nfs/dbraw/zinc/72/73/19/626727319.db2.gz BKGVQSFKRBRBFJ-BMIGLBTASA-N 1 1 293.313 3.055 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000839634646 626768693 /nfs/dbraw/zinc/76/86/93/626768693.db2.gz DYRIBXGMUKXECD-RBUKOAKNSA-N 1 1 296.414 3.061 20 10 CGCDMO CC(C)(C)C1=CC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000758357399 626838800 /nfs/dbraw/zinc/83/88/00/626838800.db2.gz HTOLKAYQBDKTKM-UHFFFAOYSA-N 1 1 289.375 3.299 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC2(CCC2)C[C@@H]1C ZINC000763650191 627172197 /nfs/dbraw/zinc/17/21/97/627172197.db2.gz YHWXNGSPIARHBZ-LBPRGKRZSA-N 1 1 261.365 3.165 20 10 CGCDMO CCC[N@@H+](Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000768292287 627472817 /nfs/dbraw/zinc/47/28/17/627472817.db2.gz YLTWTBBRLKXRBN-UHFFFAOYSA-N 1 1 250.361 3.266 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000768355339 627475991 /nfs/dbraw/zinc/47/59/91/627475991.db2.gz NKIRLWADOJXCSJ-SFHVURJKSA-N 1 1 281.403 3.485 20 10 CGCDMO CCCC[N@@H+](Cc1cc(OC)c(C)cc1O)C1CC1 ZINC000768441388 627480785 /nfs/dbraw/zinc/48/07/85/627480785.db2.gz KRMSXHPZKQYPQR-UHFFFAOYSA-N 1 1 263.381 3.474 20 10 CGCDMO CC[C@]1(C)CC[N@@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768463027 627481100 /nfs/dbraw/zinc/48/11/00/627481100.db2.gz FBRVJHMDAUXJKP-MRXNPFEDSA-N 1 1 263.381 3.331 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H](CC)C2)c(O)c1 ZINC000768844718 627503130 /nfs/dbraw/zinc/50/31/30/627503130.db2.gz CXPOPWAMSBYGIT-CYBMUJFWSA-N 1 1 263.381 3.413 20 10 CGCDMO C[C@@H]1COCCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000769457677 627555103 /nfs/dbraw/zinc/55/51/03/627555103.db2.gz OMCOKGLLVFMQJJ-MRXNPFEDSA-N 1 1 288.435 3.288 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000770371939 627615794 /nfs/dbraw/zinc/61/57/94/627615794.db2.gz CVUZBJLOOAXMHU-QWHCGFSZSA-N 1 1 295.810 3.294 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000773756975 627911162 /nfs/dbraw/zinc/91/11/62/627911162.db2.gz XYFBWJHFDJQQLW-MAUKXSAKSA-N 1 1 289.467 3.057 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@](CC)(CO)C2)cc1 ZINC000773862880 627920934 /nfs/dbraw/zinc/92/09/34/627920934.db2.gz KGHKMBLRGGPOJV-SFHVURJKSA-N 1 1 290.451 3.127 20 10 CGCDMO COc1c(O)c(C[NH2+]C[C@@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000775015681 628053808 /nfs/dbraw/zinc/05/38/08/628053808.db2.gz VKRXBXBEUKGJKG-SNVBAGLBSA-N 1 1 296.367 3.081 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)c1 ZINC000775203261 628071754 /nfs/dbraw/zinc/07/17/54/628071754.db2.gz BVXCHIOBHSHWMU-UHFFFAOYSA-N 1 1 287.407 3.353 20 10 CGCDMO Cc1cccc(C[N@H+](Cc2ccccc2)C[C@@H](C)O)c1O ZINC000775658917 628121055 /nfs/dbraw/zinc/12/10/55/628121055.db2.gz SAPXCXCYCQEXFS-OAHLLOKOSA-N 1 1 285.387 3.084 20 10 CGCDMO C[N@H+](Cc1c(O)cccc1Cl)C[C@@H]1CCCC[C@@H]1O ZINC000779152508 628391004 /nfs/dbraw/zinc/39/10/04/628391004.db2.gz BBSJGTUWQZBJJG-FZMZJTMJSA-N 1 1 283.799 3.029 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)CC2(O)CCCCCC2)cc1 ZINC000779203783 628394405 /nfs/dbraw/zinc/39/44/05/628394405.db2.gz JVVYXJIGXPEZSK-UHFFFAOYSA-N 1 1 290.451 3.270 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](C)C3(CCC3)C2)c1 ZINC000779603836 628418039 /nfs/dbraw/zinc/41/80/39/628418039.db2.gz DZFQYCXIOSDFFG-ZDUSSCGKSA-N 1 1 275.392 3.413 20 10 CGCDMO CCC[N@H+](C)Cc1cc(C)cc(Br)c1O ZINC000781898362 628603484 /nfs/dbraw/zinc/60/34/84/628603484.db2.gz YEHNIUSXFCXLPA-UHFFFAOYSA-N 1 1 272.186 3.305 20 10 CGCDMO CCC[N@@H+](C)Cc1cc(C)cc(Br)c1O ZINC000781898362 628603485 /nfs/dbraw/zinc/60/34/85/628603485.db2.gz YEHNIUSXFCXLPA-UHFFFAOYSA-N 1 1 272.186 3.305 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCSC1)c1cc(F)cc(F)c1O ZINC000790494409 629213610 /nfs/dbraw/zinc/21/36/10/629213610.db2.gz DMSHNBKFJLNPJR-BDAKNGLRSA-N 1 1 273.348 3.074 20 10 CGCDMO C[C@H]1C[C@@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000790980869 629245750 /nfs/dbraw/zinc/24/57/50/629245750.db2.gz GGTSCZQMTIWKCA-UWVGGRQHSA-N 1 1 287.762 3.089 20 10 CGCDMO C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@H]1CCCOC1 ZINC000790988779 629246823 /nfs/dbraw/zinc/24/68/23/629246823.db2.gz AQPNSQCJKMTZCI-UWVGGRQHSA-N 1 1 287.762 3.089 20 10 CGCDMO C[N@@H+](CCC1CC1)Cc1c(O)cccc1Br ZINC000862253731 629331352 /nfs/dbraw/zinc/33/13/52/629331352.db2.gz RAWLEWWFUGDYPN-UHFFFAOYSA-N 1 1 284.197 3.387 20 10 CGCDMO CC1(C)[C@@H]2C[N@@H+](Cc3c(O)ccc(Cl)c3F)C[C@@H]21 ZINC000792166875 629343731 /nfs/dbraw/zinc/34/37/31/629343731.db2.gz UZBVQDQRLNGTMI-AOOOYVTPSA-N 1 1 269.747 3.273 20 10 CGCDMO CC1(C)[C@@H]2C[N@H+](Cc3c(O)ccc(Cl)c3F)C[C@@H]21 ZINC000792166875 629343734 /nfs/dbraw/zinc/34/37/34/629343734.db2.gz UZBVQDQRLNGTMI-AOOOYVTPSA-N 1 1 269.747 3.273 20 10 CGCDMO CN(C)c1cc(F)c(C[N@H+](C)CC2=CCSC2)cc1F ZINC000862417717 629368468 /nfs/dbraw/zinc/36/84/68/629368468.db2.gz GZPZYPKRDWEPOO-UHFFFAOYSA-N 1 1 298.402 3.136 20 10 CGCDMO CN(C)c1cc(F)c(C[N@@H+](C)CC2=CCSC2)cc1F ZINC000862417717 629368474 /nfs/dbraw/zinc/36/84/74/629368474.db2.gz GZPZYPKRDWEPOO-UHFFFAOYSA-N 1 1 298.402 3.136 20 10 CGCDMO CCC[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)OCC ZINC000862435266 629371818 /nfs/dbraw/zinc/37/18/18/629371818.db2.gz TWERWGVALORLNN-NSHDSACASA-N 1 1 289.778 3.480 20 10 CGCDMO C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000862482371 629384611 /nfs/dbraw/zinc/38/46/11/629384611.db2.gz GXWPIHCOOHUYMN-HNNXBMFYSA-N 1 1 298.430 3.367 20 10 CGCDMO C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000862482371 629384613 /nfs/dbraw/zinc/38/46/13/629384613.db2.gz GXWPIHCOOHUYMN-HNNXBMFYSA-N 1 1 298.430 3.367 20 10 CGCDMO OC[C@]12CCC[C@H]1C[N@@H+](Cc1ccc3ccccc3c1O)C2 ZINC000862528931 629391236 /nfs/dbraw/zinc/39/12/36/629391236.db2.gz MDEJPXGQVHBBHX-QFBILLFUSA-N 1 1 297.398 3.140 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCc3c(O)cccc3C2)c(O)c1 ZINC000862530307 629392936 /nfs/dbraw/zinc/39/29/36/629392936.db2.gz ZGLDGLZCYAOXMD-UHFFFAOYSA-N 1 1 299.370 3.055 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1 ZINC000793230947 629433278 /nfs/dbraw/zinc/43/32/78/629433278.db2.gz IVJYURNYUYKVGP-PWSUYJOCSA-N 1 1 273.298 3.473 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000863294682 629527036 /nfs/dbraw/zinc/52/70/36/629527036.db2.gz BFOCJEOICDBFHS-CABCVRRESA-N 1 1 277.433 3.479 20 10 CGCDMO C[C@@H]1CSC[C@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000796482026 629788589 /nfs/dbraw/zinc/78/85/89/629788589.db2.gz JXOLVIYQZRHKIH-GMSGAONNSA-N 1 1 275.776 3.026 20 10 CGCDMO CC[C@@H]([NH2+]CCN1CCCCCC1)c1ccc(F)cc1O ZINC000796683793 629814422 /nfs/dbraw/zinc/81/44/22/629814422.db2.gz PGLJUZFFWILNLE-MRXNPFEDSA-N 1 1 294.414 3.448 20 10 CGCDMO CC[C@@H]([NH2+]CCN(C)[C@@H](C)CC)c1ccc(F)cc1O ZINC000796745965 629824101 /nfs/dbraw/zinc/82/41/01/629824101.db2.gz UJEGUIHKGXAGIN-SWLSCSKDSA-N 1 1 282.403 3.302 20 10 CGCDMO CC[C@@H]([NH2+]Cc1ncccc1F)c1ccc(F)cc1O ZINC000796840267 629845934 /nfs/dbraw/zinc/84/59/34/629845934.db2.gz MMYYGGOHSNQVQT-CYBMUJFWSA-N 1 1 278.302 3.306 20 10 CGCDMO CCCC[N@@H+](Cc1cnc(C)nc1)Cc1ccccc1O ZINC000801595594 630346429 /nfs/dbraw/zinc/34/64/29/630346429.db2.gz PAXDAZGVGCWKKK-UHFFFAOYSA-N 1 1 285.391 3.293 20 10 CGCDMO Cc1cc(NCc2cc(Cl)cc(Cl)c2O)cc[nH+]1 ZINC000808090311 630621608 /nfs/dbraw/zinc/62/16/08/630621608.db2.gz YNFQEQKIXNLDAB-UHFFFAOYSA-N 1 1 283.158 3.436 20 10 CGCDMO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cccc(C)c1O ZINC000809644429 630773254 /nfs/dbraw/zinc/77/32/54/630773254.db2.gz ZCNCNPAEGFKLGQ-SFHVURJKSA-N 1 1 299.414 3.474 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000809728674 630793579 /nfs/dbraw/zinc/79/35/79/630793579.db2.gz FHSVHQOVUQHJIY-OAHLLOKOSA-N 1 1 284.359 3.133 20 10 CGCDMO Cc1cccc(C[NH2+]C2(C(F)F)CCCC2)c1O ZINC000809789777 630811137 /nfs/dbraw/zinc/81/11/37/630811137.db2.gz FLPQMGXMMTZXHO-UHFFFAOYSA-N 1 1 255.308 3.368 20 10 CGCDMO CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000810253685 630860175 /nfs/dbraw/zinc/86/01/75/630860175.db2.gz AFQIQOPFFVJMHE-OUCADQQQSA-N 1 1 294.414 3.398 20 10 CGCDMO CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000810253685 630860180 /nfs/dbraw/zinc/86/01/80/630860180.db2.gz AFQIQOPFFVJMHE-OUCADQQQSA-N 1 1 294.414 3.398 20 10 CGCDMO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2O)[C@@H]1[C@H]1CCCO1 ZINC000811510323 631078046 /nfs/dbraw/zinc/07/80/46/631078046.db2.gz CENWMUDWTHOCQU-HUUCEWRRSA-N 1 1 295.810 3.435 20 10 CGCDMO CCCC[N@@H+](CC)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876527580 634850666 /nfs/dbraw/zinc/85/06/66/634850666.db2.gz BBOJWQKRSSICAA-UHFFFAOYSA-N 1 1 290.451 3.270 20 10 CGCDMO Cc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)ccc1N(C)C ZINC000815102201 631717718 /nfs/dbraw/zinc/71/77/18/631717718.db2.gz HEPMETZQIIASQG-KBXCAEBGSA-N 1 1 288.435 3.060 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@H](c3ccccn3)C2)ccc1N(C)C ZINC000815107951 631718922 /nfs/dbraw/zinc/71/89/22/631718922.db2.gz PQWCNHYWFMTZGO-KRWDZBQOSA-N 1 1 295.430 3.446 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](OC)C[C@H]2C)cc1 ZINC000815107953 631719308 /nfs/dbraw/zinc/71/93/08/631719308.db2.gz PTIQVKBVZHPGNQ-PBHICJAKSA-N 1 1 276.424 3.142 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)CCCO1 ZINC000815108145 631719347 /nfs/dbraw/zinc/71/93/47/631719347.db2.gz RMUVLENYBCPNBU-MRXNPFEDSA-N 1 1 276.424 3.062 20 10 CGCDMO Oc1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)c1Cl ZINC000815122714 631722877 /nfs/dbraw/zinc/72/28/77/631722877.db2.gz OVOKLRFRYVZFSP-UHFFFAOYSA-N 1 1 289.762 3.270 20 10 CGCDMO COCC[C@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815572961 631797870 /nfs/dbraw/zinc/79/78/70/631797870.db2.gz UCHWEMSIIMZQPV-VHSXEESVSA-N 1 1 291.313 3.487 20 10 CGCDMO Cc1cc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)[nH]n1 ZINC000815581837 631800306 /nfs/dbraw/zinc/80/03/06/631800306.db2.gz QPSUPYWZNOUXFM-VIFPVBQESA-N 1 1 299.296 3.293 20 10 CGCDMO CCC[N@H+](Cc1cc(Cl)c(F)cc1O)CC(C)(C)O ZINC000816504484 631995477 /nfs/dbraw/zinc/99/54/77/631995477.db2.gz OZRYACAEFYJIFJ-UHFFFAOYSA-N 1 1 289.778 3.168 20 10 CGCDMO CCC[N@@H+](Cc1cc(Cl)c(F)cc1O)CC(C)(C)O ZINC000816504484 631995484 /nfs/dbraw/zinc/99/54/84/631995484.db2.gz OZRYACAEFYJIFJ-UHFFFAOYSA-N 1 1 289.778 3.168 20 10 CGCDMO Oc1c(C[N@H+]2CC[C@]3(CCOC3)C2)ccc2ccccc21 ZINC000816518958 632001834 /nfs/dbraw/zinc/00/18/34/632001834.db2.gz SZXHLJCIWFZMQW-SFHVURJKSA-N 1 1 283.371 3.158 20 10 CGCDMO Oc1c(C[N@H+]2CC[C@@]3(CCOC3)C2)ccc2ccccc21 ZINC000816518957 632003135 /nfs/dbraw/zinc/00/31/35/632003135.db2.gz SZXHLJCIWFZMQW-GOSISDBHSA-N 1 1 283.371 3.158 20 10 CGCDMO Oc1ccccc1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816545111 632007814 /nfs/dbraw/zinc/00/78/14/632007814.db2.gz DQVCNPZEBOKYHJ-UHFFFAOYSA-N 1 1 281.714 3.180 20 10 CGCDMO CO[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)C(C)(C)C ZINC000816554348 632009874 /nfs/dbraw/zinc/00/98/74/632009874.db2.gz WBHMFUHHVUNREU-CYBMUJFWSA-N 1 1 289.778 3.335 20 10 CGCDMO CC(C)(C)C[C@@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816558161 632011683 /nfs/dbraw/zinc/01/16/83/632011683.db2.gz OYCITFMWCQVEEK-JTQLQIEISA-N 1 1 289.778 3.071 20 10 CGCDMO CC[C@H](CSC)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816560757 632012918 /nfs/dbraw/zinc/01/29/18/632012918.db2.gz ZQGPDGSQCHIVBH-SECBINFHSA-N 1 1 277.792 3.416 20 10 CGCDMO Oc1c(C[N@H+]2CC[C@@H](n3cccn3)C2)ccc2ccccc21 ZINC000816617423 632024092 /nfs/dbraw/zinc/02/40/92/632024092.db2.gz YTLDGKCPYBKAFE-MRXNPFEDSA-N 1 1 293.370 3.189 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H](C)[C@H]2C)c1 ZINC000816648980 632035968 /nfs/dbraw/zinc/03/59/68/632035968.db2.gz RNQMJYYPQGHZLE-NXEZZACHSA-N 1 1 284.197 3.303 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H](C)[C@H]2C)c1 ZINC000816648980 632035976 /nfs/dbraw/zinc/03/59/76/632035976.db2.gz RNQMJYYPQGHZLE-NXEZZACHSA-N 1 1 284.197 3.303 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000816666667 632040111 /nfs/dbraw/zinc/04/01/11/632040111.db2.gz SROANKNXTXHFIH-JKSUJKDBSA-N 1 1 293.794 3.189 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000816666667 632040115 /nfs/dbraw/zinc/04/01/15/632040115.db2.gz SROANKNXTXHFIH-JKSUJKDBSA-N 1 1 293.794 3.189 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000816666664 632040374 /nfs/dbraw/zinc/04/03/74/632040374.db2.gz SROANKNXTXHFIH-CVEARBPZSA-N 1 1 293.794 3.189 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000816666664 632040378 /nfs/dbraw/zinc/04/03/78/632040378.db2.gz SROANKNXTXHFIH-CVEARBPZSA-N 1 1 293.794 3.189 20 10 CGCDMO Cc1ccc([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)o1 ZINC000817938689 632239458 /nfs/dbraw/zinc/23/94/58/632239458.db2.gz PUWDELWFIJWUSM-XJKSGUPXSA-N 1 1 287.407 3.005 20 10 CGCDMO CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817944568 632241710 /nfs/dbraw/zinc/24/17/10/632241710.db2.gz HAXOFCJCKMEDGQ-JOYOIKCWSA-N 1 1 289.206 3.102 20 10 CGCDMO CC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000817969197 632262978 /nfs/dbraw/zinc/26/29/78/632262978.db2.gz RNNAAADUOZYDRU-TZMCWYRMSA-N 1 1 282.815 3.228 20 10 CGCDMO C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc2ccccc2c1[O-] ZINC000817971670 632264897 /nfs/dbraw/zinc/26/48/97/632264897.db2.gz OVPGKUBBVWQQME-DCGLDWPTSA-N 1 1 284.403 3.194 20 10 CGCDMO C[C@H](N)[C@H](C)[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000817977135 632269008 /nfs/dbraw/zinc/26/90/08/632269008.db2.gz CEKJELUENLAWHA-RLFYNMQTSA-N 1 1 298.430 3.391 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCCCNC1)c1cc2c(cc1O)CCCC2 ZINC000817983903 632272858 /nfs/dbraw/zinc/27/28/58/632272858.db2.gz LCJIODJEOKTCJO-BBRMVZONSA-N 1 1 288.435 3.064 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(F)cc1O ZINC000866632666 633221929 /nfs/dbraw/zinc/22/19/29/633221929.db2.gz AYWAVRXITZSEOW-KBPBESRZSA-N 1 1 289.354 3.304 20 10 CGCDMO COC[C@]1(C)CC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000824582594 633261839 /nfs/dbraw/zinc/26/18/39/633261839.db2.gz AUGSQHXBLOOQRA-OAHLLOKOSA-N 1 1 283.799 3.212 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H]2C2CC2)c1 ZINC000824651008 633268452 /nfs/dbraw/zinc/26/84/52/633268452.db2.gz RXYVTVZKRLLUNN-ZDUSSCGKSA-N 1 1 296.208 3.447 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H]2C2CC2)c1 ZINC000824651008 633268467 /nfs/dbraw/zinc/26/84/67/633268467.db2.gz RXYVTVZKRLLUNN-ZDUSSCGKSA-N 1 1 296.208 3.447 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H]2C2CC2)c1 ZINC000824651007 633269059 /nfs/dbraw/zinc/26/90/59/633269059.db2.gz RXYVTVZKRLLUNN-CYBMUJFWSA-N 1 1 296.208 3.447 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H]2C2CC2)c1 ZINC000824651007 633269061 /nfs/dbraw/zinc/26/90/61/633269061.db2.gz RXYVTVZKRLLUNN-CYBMUJFWSA-N 1 1 296.208 3.447 20 10 CGCDMO CS[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000824683637 633272295 /nfs/dbraw/zinc/27/22/95/633272295.db2.gz SVGNSIZSQFBXSF-GFCCVEGCSA-N 1 1 271.813 3.291 20 10 CGCDMO Cc1cccc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c1O ZINC000824941585 633308721 /nfs/dbraw/zinc/30/87/21/633308721.db2.gz PUZATDWHCQHUJA-HZPDHXFCSA-N 1 1 257.377 3.321 20 10 CGCDMO C[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)c2nccn21 ZINC000825017555 633318613 /nfs/dbraw/zinc/31/86/13/633318613.db2.gz ULSHAYKUZVPOCN-SKDRFNHKSA-N 1 1 277.755 3.038 20 10 CGCDMO CO[C@H]([C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000825098250 633327953 /nfs/dbraw/zinc/32/79/53/633327953.db2.gz DZZLFQAWEFWHJK-RMLUDKJBSA-N 1 1 287.762 3.088 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@]3(CCSC3)C2)c1 ZINC000825214980 633336176 /nfs/dbraw/zinc/33/61/76/633336176.db2.gz CGQFOEZIBDELQB-MRXNPFEDSA-N 1 1 293.432 3.120 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)CC2=CCCOC2)cc1Cl ZINC000827189761 633469496 /nfs/dbraw/zinc/46/94/96/633469496.db2.gz NQEHVGRITSOPPD-UHFFFAOYSA-N 1 1 281.783 3.133 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872261052 634093185 /nfs/dbraw/zinc/09/31/85/634093185.db2.gz YSEIIWAUFJOZQD-INIZCTEOSA-N 1 1 275.392 3.316 20 10 CGCDMO Oc1ccc2ccncc2c1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000872712535 634193400 /nfs/dbraw/zinc/19/34/00/634193400.db2.gz RGZZOIFCUFJQMP-GASCZTMLSA-N 1 1 280.371 3.338 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cnccc1C)c1ccc(F)cc1O ZINC000834885936 634266861 /nfs/dbraw/zinc/26/68/61/634266861.db2.gz GSYNTCGMVXFAQN-OAHLLOKOSA-N 1 1 274.339 3.476 20 10 CGCDMO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1ccc(F)cc1O ZINC000834894949 634271673 /nfs/dbraw/zinc/27/16/73/634271673.db2.gz NEFDFPHMKSCKSZ-NRUUGDAUSA-N 1 1 275.327 3.084 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)[C@H](OC)C1CC1)c1ccc(F)cc1O ZINC000834903981 634279940 /nfs/dbraw/zinc/27/99/40/634279940.db2.gz MQPNFCBXFUUUDQ-FSBGKCOPSA-N 1 1 281.371 3.386 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)[C@H](CO)C(C)(C)C)cc1 ZINC000835028654 634326189 /nfs/dbraw/zinc/32/61/89/634326189.db2.gz OJWCXHZNIPXSSX-IWAYRVGRSA-N 1 1 290.451 3.105 20 10 CGCDMO CC(C)[N@@H+](C/C=C/c1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000835056657 634340387 /nfs/dbraw/zinc/34/03/87/634340387.db2.gz WNXAXMVEZKHLJW-DUMMIQTOSA-N 1 1 288.435 3.265 20 10 CGCDMO CCCN1CCC([N@H+](C)Cc2ccc(C)cc2O)CC1 ZINC000876623572 634869747 /nfs/dbraw/zinc/86/97/47/634869747.db2.gz MAPOSYDTRGEMBK-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO CCCN1CCC([N@@H+](C)Cc2ccc(C)cc2O)CC1 ZINC000876623572 634869751 /nfs/dbraw/zinc/86/97/51/634869751.db2.gz MAPOSYDTRGEMBK-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO Cc1cnc(CC[N@H+](C)Cc2ccc(C)cc2O)s1 ZINC000876780288 634897913 /nfs/dbraw/zinc/89/79/13/634897913.db2.gz UALFYGBCCMVLGF-UHFFFAOYSA-N 1 1 276.405 3.140 20 10 CGCDMO Cc1cccc(O)c1C[N@H+](C)C[C@H](C)c1nccs1 ZINC000877316439 635024738 /nfs/dbraw/zinc/02/47/38/635024738.db2.gz ZSIKNDHSWYAYHG-LBPRGKRZSA-N 1 1 276.405 3.393 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000877486343 635056657 /nfs/dbraw/zinc/05/66/57/635056657.db2.gz ICVPISUWLUNPNC-JQWIXIFHSA-N 1 1 273.298 3.473 20 10 CGCDMO COC[C@@H]1CCC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840918004 635083284 /nfs/dbraw/zinc/08/32/84/635083284.db2.gz NQMYXTGXRQWKQW-GFCCVEGCSA-N 1 1 283.799 3.212 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCCCC[C@H]1CCO ZINC000840943509 635089828 /nfs/dbraw/zinc/08/98/28/635089828.db2.gz SWDONKWSESJVEJ-KRWDZBQOSA-N 1 1 290.451 3.188 20 10 CGCDMO Cc1cc(O)c(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)c(Cl)c1 ZINC000840949798 635091134 /nfs/dbraw/zinc/09/11/34/635091134.db2.gz CEAJIGWRIMXSGL-ZWNOBZJWSA-N 1 1 291.782 3.346 20 10 CGCDMO CC[N@@H+](Cc1occc1C)Cc1cc(F)ccc1O ZINC000840969201 635095899 /nfs/dbraw/zinc/09/58/99/635095899.db2.gz ANZCYYFSYGRBBR-UHFFFAOYSA-N 1 1 263.312 3.455 20 10 CGCDMO COc1ccc2c(c1)C[N@H+](Cc1ccc(C)cc1O)C2 ZINC000877619001 635115606 /nfs/dbraw/zinc/11/56/06/635115606.db2.gz LQNCNVKEYIQFNE-UHFFFAOYSA-N 1 1 269.344 3.225 20 10 CGCDMO Cc1cc(O)c(CN[C@H]2CC[NH2+]C3(CCC3)C2)c(Cl)c1 ZINC000841089708 635120694 /nfs/dbraw/zinc/12/06/94/635120694.db2.gz KFKPRAAPCGZLPX-LBPRGKRZSA-N 1 1 294.826 3.118 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000877642936 635128454 /nfs/dbraw/zinc/12/84/54/635128454.db2.gz YCNSSUPPSDPEGJ-HDICACEKSA-N 1 1 287.403 3.093 20 10 CGCDMO Cc1cccc(CN2CCC(C)([NH+]3CCCC3)CC2)c1O ZINC000877675039 635142271 /nfs/dbraw/zinc/14/22/71/635142271.db2.gz URBAXINOQGNRGP-UHFFFAOYSA-N 1 1 288.435 3.151 20 10 CGCDMO CCOCOc1ccc(C[N@H+]2Cc3cccc(O)c3C2)cc1 ZINC000877703171 635155804 /nfs/dbraw/zinc/15/58/04/635155804.db2.gz UQXSRLBIPWBAJK-UHFFFAOYSA-N 1 1 299.370 3.281 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)cc1F ZINC000877737512 635171569 /nfs/dbraw/zinc/17/15/69/635171569.db2.gz GSRIGGIGHLJAPT-UONOGXRCSA-N 1 1 294.439 3.077 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1ccc(Cl)cc1O ZINC000841753284 635227319 /nfs/dbraw/zinc/22/73/19/635227319.db2.gz GBPZQILZIFDBIR-WOPDTQHZSA-N 1 1 283.799 3.369 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc(Cl)cc1O ZINC000841753472 635227447 /nfs/dbraw/zinc/22/74/47/635227447.db2.gz UIIKIFDYRSUSPC-WDMOLILDSA-N 1 1 283.799 3.247 20 10 CGCDMO C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1[O-] ZINC000841758615 635231271 /nfs/dbraw/zinc/23/12/71/635231271.db2.gz UAEYIYPBZSNBLW-STQMWFEESA-N 1 1 296.842 3.428 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1ccc(Cl)cc1O ZINC000841761238 635232817 /nfs/dbraw/zinc/23/28/17/635232817.db2.gz XIRPUGZUTJGZJE-ZIBATOQPSA-N 1 1 294.826 3.179 20 10 CGCDMO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000842755617 635461558 /nfs/dbraw/zinc/46/15/58/635461558.db2.gz HNFOKYHBSKPTHS-ZJUUUORDSA-N 1 1 289.778 3.071 20 10 CGCDMO COc1ccc(N(C)CC[N@@H+](C)[C@H](C)c2cccnc2)cc1 ZINC000844399886 635890413 /nfs/dbraw/zinc/89/04/13/635890413.db2.gz RRQHGEZPEGEVRI-OAHLLOKOSA-N 1 1 299.418 3.219 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(C)cc(C)c2O)[C@H](C)CO1 ZINC000844732665 635957352 /nfs/dbraw/zinc/95/73/52/635957352.db2.gz QWYWJUZHUZKIOC-HIFRSBDPSA-N 1 1 263.381 3.008 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(C)cc(C)c2O)[C@H](C)CO1 ZINC000844732669 635957589 /nfs/dbraw/zinc/95/75/89/635957589.db2.gz QWYWJUZHUZKIOC-UKRRQHHQSA-N 1 1 263.381 3.008 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c1O ZINC000844746973 635958238 /nfs/dbraw/zinc/95/82/38/635958238.db2.gz QLOWFUKKXIFXIJ-OAHLLOKOSA-N 1 1 297.345 3.330 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846117411 636146673 /nfs/dbraw/zinc/14/66/73/636146673.db2.gz PTAYPAMYLARNIY-GFCCVEGCSA-N 1 1 291.700 3.416 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846117411 636146676 /nfs/dbraw/zinc/14/66/76/636146676.db2.gz PTAYPAMYLARNIY-GFCCVEGCSA-N 1 1 291.700 3.416 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2(C3CCC3)CC2)c1 ZINC000846206560 636158753 /nfs/dbraw/zinc/15/87/53/636158753.db2.gz FBOCPVBNAYUXIV-LLVKDONJSA-N 1 1 289.375 3.162 20 10 CGCDMO CCOc1ccccc1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000882912843 636460662 /nfs/dbraw/zinc/46/06/62/636460662.db2.gz DBVGVKIEDYEGQN-UHFFFAOYSA-N 1 1 293.313 3.359 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C1(c2ccccc2)CC1 ZINC000882990664 636492865 /nfs/dbraw/zinc/49/28/65/636492865.db2.gz UTCSKXRXECSAQE-UHFFFAOYSA-N 1 1 275.298 3.449 20 10 CGCDMO C[C@]1(CC[NH2+]Cc2cc(F)cc(F)c2O)C[C@@]1(F)Cl ZINC000883158087 636560130 /nfs/dbraw/zinc/56/01/30/636560130.db2.gz UIBPKJCZBBWAQC-STQMWFEESA-N 1 1 293.716 3.465 20 10 CGCDMO C[C@@]1(CC[NH2+]Cc2cc(F)cc(F)c2O)CC1(F)F ZINC000883174505 636565721 /nfs/dbraw/zinc/56/57/21/636565721.db2.gz LXDIRDWKNQVRTA-GFCCVEGCSA-N 1 1 277.261 3.195 20 10 CGCDMO CCc1cccc(C[N@@H+](C)Cc2c(C)noc2C)c1O ZINC000848882679 636672441 /nfs/dbraw/zinc/67/24/41/636672441.db2.gz YAIDSXDQYOEYRG-UHFFFAOYSA-N 1 1 274.364 3.191 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@H](OCC(C)C)C2)c1O ZINC000848890879 636677861 /nfs/dbraw/zinc/67/78/61/636677861.db2.gz VGERZXHWOQTXPX-INIZCTEOSA-N 1 1 277.408 3.202 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@](C)(OC)CC2)c1O ZINC000848907910 636685472 /nfs/dbraw/zinc/68/54/72/636685472.db2.gz KUCIVORDULEVMG-QGZVFWFLSA-N 1 1 277.408 3.346 20 10 CGCDMO CN(C)c1ccc(/C=C/C[NH+]2CC3(CC3(F)F)C2)cc1 ZINC000848922839 636693879 /nfs/dbraw/zinc/69/38/79/636693879.db2.gz XKYFLQBZNYEXPI-ONEGZZNKSA-N 1 1 278.346 3.107 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C[C@@H](C)O)C2CC2)cc1F ZINC000848928856 636699864 /nfs/dbraw/zinc/69/98/64/636699864.db2.gz PMDYDLWXHDGLMJ-CYBMUJFWSA-N 1 1 294.414 3.017 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2cccc(F)c2O)CC2(CCCCC2)O1 ZINC000848928817 636700371 /nfs/dbraw/zinc/70/03/71/636700371.db2.gz OIRLMOJBKXJBOQ-CYBMUJFWSA-N 1 1 293.382 3.455 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CC2(CCCCC2)O1 ZINC000848928817 636700380 /nfs/dbraw/zinc/70/03/80/636700380.db2.gz OIRLMOJBKXJBOQ-CYBMUJFWSA-N 1 1 293.382 3.455 20 10 CGCDMO C[C@H](O)C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000848929442 636700755 /nfs/dbraw/zinc/70/07/55/636700755.db2.gz WYJVUGQBSYIXKW-AWEZNQCLSA-N 1 1 297.398 3.404 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)[C@H](C)C(C)(C)C)c1 ZINC000132564946 636820829 /nfs/dbraw/zinc/82/08/29/636820829.db2.gz XXBMDJHYWUPQNB-LLVKDONJSA-N 1 1 251.370 3.267 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)[C@H]2CCC[C@H](C)C2)c1 ZINC000132739654 636833265 /nfs/dbraw/zinc/83/32/65/636833265.db2.gz DUIWVBZFTIWKBB-JSGCOSHPSA-N 1 1 263.381 3.411 20 10 CGCDMO C[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)c1ccccn1 ZINC000850341681 637021063 /nfs/dbraw/zinc/02/10/63/637021063.db2.gz BVMRXBNXGIOVFX-JTQLQIEISA-N 1 1 294.757 3.473 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H](C)C2CC2)c1 ZINC000134748847 637036694 /nfs/dbraw/zinc/03/66/94/637036694.db2.gz JSYIMTDAKOYGFZ-VIFPVBQESA-N 1 1 284.197 3.351 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1ccc(F)cc1O ZINC000850552554 637118977 /nfs/dbraw/zinc/11/89/77/637118977.db2.gz NVRLWXRICPDCKO-QPUJVOFHSA-N 1 1 273.298 3.473 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@]2(C)CC2(C)C)c1 ZINC000850556156 637119763 /nfs/dbraw/zinc/11/97/63/637119763.db2.gz QEQHAQOEVLXYQZ-HWPZZCPQSA-N 1 1 277.364 3.018 20 10 CGCDMO C[C@@H]([NH2+]CCCc1ccco1)c1ccc(F)cc1O ZINC000850569619 637127881 /nfs/dbraw/zinc/12/78/81/637127881.db2.gz KSPBUZPOUQNSKI-LLVKDONJSA-N 1 1 263.312 3.408 20 10 CGCDMO Cc1ccc(OCC[N@H+](C)Cc2ccccc2O)cc1 ZINC000109773374 637267079 /nfs/dbraw/zinc/26/70/79/637267079.db2.gz FKSWUZXLCPZKAJ-UHFFFAOYSA-N 1 1 271.360 3.211 20 10 CGCDMO C[N@@H+](CCCOc1ccc(F)cc1)Cc1ccccc1O ZINC000109771586 637267505 /nfs/dbraw/zinc/26/75/05/637267505.db2.gz SJUFOWBXEMFXRI-UHFFFAOYSA-N 1 1 289.350 3.432 20 10 CGCDMO CC(C)=CCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000851716424 637472376 /nfs/dbraw/zinc/47/23/76/637472376.db2.gz BSRWWTPVAOOKIY-UHFFFAOYSA-N 1 1 288.435 3.311 20 10 CGCDMO Oc1ccccc1C[N@@H+](CC1CC=CC1)C[C@@H]1CCCO1 ZINC000851841901 637519221 /nfs/dbraw/zinc/51/92/21/637519221.db2.gz ZMWOHUCGWZGPPK-KRWDZBQOSA-N 1 1 287.403 3.339 20 10 CGCDMO C[C@H]([NH2+]CCOC1CCCC1)c1c(O)cccc1F ZINC000886516310 637549790 /nfs/dbraw/zinc/54/97/90/637549790.db2.gz BWWSKUGBLNWVTM-NSHDSACASA-N 1 1 267.344 3.141 20 10 CGCDMO C[C@H](NCC[N@@H+](C)C1CCCC1)c1c(O)cccc1F ZINC000886524846 637552759 /nfs/dbraw/zinc/55/27/59/637552759.db2.gz SELSJIUXNAYJEV-LBPRGKRZSA-N 1 1 280.387 3.056 20 10 CGCDMO Cc1noc(C)c1CCC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886539294 637563914 /nfs/dbraw/zinc/56/39/14/637563914.db2.gz XOIBJSODAVBZTD-LLVKDONJSA-N 1 1 292.354 3.420 20 10 CGCDMO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886549114 637575734 /nfs/dbraw/zinc/57/57/34/637575734.db2.gz BTCMDXCWQWMSMN-CMPLNLGQSA-N 1 1 295.379 3.285 20 10 CGCDMO Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2c(O)cccc2F)c1 ZINC000886551074 637576814 /nfs/dbraw/zinc/57/68/14/637576814.db2.gz AWDWRDFWLOBTRH-LRDDRELGSA-N 1 1 289.350 3.224 20 10 CGCDMO C[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1c(O)cccc1F ZINC000886637637 637623792 /nfs/dbraw/zinc/62/37/92/637623792.db2.gz BCLDOFBRILSYJX-FSBGKCOPSA-N 1 1 287.334 3.360 20 10 CGCDMO C[C@@H]([NH2+]CC[C@@H]1CCSC1)c1c(O)cccc1F ZINC000886645107 637626742 /nfs/dbraw/zinc/62/67/42/637626742.db2.gz RJBGDYLZSYSOFP-GHMZBOCLSA-N 1 1 269.385 3.325 20 10 CGCDMO C[C@H]([NH2+]CC[C@@H](O)C1CCCC1)c1c(O)cccc1F ZINC000886650460 637629511 /nfs/dbraw/zinc/62/95/11/637629511.db2.gz XJUAPAHQZQNCOG-SMDDNHRTSA-N 1 1 281.371 3.123 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1c(O)cccc1F ZINC000886703211 637666071 /nfs/dbraw/zinc/66/60/71/637666071.db2.gz PEGFKOYUGCZNBL-RYUDHWBXSA-N 1 1 279.355 3.141 20 10 CGCDMO C[N@@H+](CCCOCCc1ccccc1)Cc1ccccc1O ZINC000111236024 637803852 /nfs/dbraw/zinc/80/38/52/637803852.db2.gz ZWYGETLLBXHCEA-UHFFFAOYSA-N 1 1 299.414 3.473 20 10 CGCDMO c1nc2c(s1)CCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000858358867 638692460 /nfs/dbraw/zinc/69/24/60/638692460.db2.gz APYYIRCJDQWRCQ-ZDUSSCGKSA-N 1 1 286.400 3.245 20 10 CGCDMO CCC(F)(F)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000858508761 638750712 /nfs/dbraw/zinc/75/07/12/638750712.db2.gz YSMBNZGVDVVMQH-VIFPVBQESA-N 1 1 259.296 3.097 20 10 CGCDMO Cc1cc(C[N@@H+]2Cc3ccc(O)cc3C2)ccc1N(C)C ZINC000859477553 639149589 /nfs/dbraw/zinc/14/95/89/639149589.db2.gz DZWPUDNXYOOBJE-UHFFFAOYSA-N 1 1 282.387 3.282 20 10 CGCDMO Cc1cc(C[N@H+]2Cc3ccc(O)cc3C2)ccc1N(C)C ZINC000859477553 639149594 /nfs/dbraw/zinc/14/95/94/639149594.db2.gz DZWPUDNXYOOBJE-UHFFFAOYSA-N 1 1 282.387 3.282 20 10 CGCDMO Cc1cc(C[NH2+][C@@H](c2ncccn2)C2CC2)ccc1N(C)C ZINC000932355038 639320892 /nfs/dbraw/zinc/32/08/92/639320892.db2.gz ADVDMCYRXGQWMB-QGZVFWFLSA-N 1 1 296.418 3.092 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc1OC ZINC000160061288 640087441 /nfs/dbraw/zinc/08/74/41/640087441.db2.gz KQXAOSHJVKNTIX-JSGCOSHPSA-N 1 1 291.391 3.174 20 10 CGCDMO C[N@H+](Cc1nccn1-c1ccccc1)Cc1ccccc1O ZINC000191253549 640297620 /nfs/dbraw/zinc/29/76/20/640297620.db2.gz VSGWJTNOKCPACD-UHFFFAOYSA-N 1 1 293.370 3.210 20 10 CGCDMO C[N@@H+](Cc1nccn1-c1ccccc1)Cc1ccccc1O ZINC000191253549 640297626 /nfs/dbraw/zinc/29/76/26/640297626.db2.gz VSGWJTNOKCPACD-UHFFFAOYSA-N 1 1 293.370 3.210 20 10 CGCDMO C[C@@H](O)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CCCCC1 ZINC000092974200 640752416 /nfs/dbraw/zinc/75/24/16/640752416.db2.gz ODSFNUADTYBKKY-OAHLLOKOSA-N 1 1 290.451 3.268 20 10 CGCDMO CCC[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000093704770 640780064 /nfs/dbraw/zinc/78/00/64/640780064.db2.gz HUUORNLWTMLEAF-CYBMUJFWSA-N 1 1 263.381 3.413 20 10 CGCDMO c1cc(N2CCCC2)ccc1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248746287 640780183 /nfs/dbraw/zinc/78/01/83/640780183.db2.gz DNSCSTPWNSWFFA-MJGOQNOKSA-N 1 1 299.462 3.003 20 10 CGCDMO c1cc(N2CCCC2)ccc1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248746287 640780194 /nfs/dbraw/zinc/78/01/94/640780194.db2.gz DNSCSTPWNSWFFA-MJGOQNOKSA-N 1 1 299.462 3.003 20 10 CGCDMO Oc1cc2c(cc1O)CN(c1cc(C3CC3)cc[nH+]1)CCC2 ZINC001155941689 805626684 /nfs/dbraw/zinc/62/66/84/805626684.db2.gz VKSGFUIKOZIERL-UHFFFAOYSA-N 1 1 296.370 3.323 20 10 CGCDMO Oc1cccc2c1C[N@H+](C1CCC3(CC3)CC1)CC2 ZINC001254445282 806401034 /nfs/dbraw/zinc/40/10/34/806401034.db2.gz JLWYGWREVGSBHH-UHFFFAOYSA-N 1 1 257.377 3.473 20 10 CGCDMO CCCC[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000037322380 798866032 /nfs/dbraw/zinc/86/60/32/798866032.db2.gz DYFKIQCSCYIZSM-UHFFFAOYSA-N 1 1 269.772 3.480 20 10 CGCDMO CCCC[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000037322380 798866038 /nfs/dbraw/zinc/86/60/38/798866038.db2.gz DYFKIQCSCYIZSM-UHFFFAOYSA-N 1 1 269.772 3.480 20 10 CGCDMO CC[C@@H]1CCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000037914573 798879445 /nfs/dbraw/zinc/87/94/45/798879445.db2.gz CEZURTHEGMYBJK-CYBMUJFWSA-N 1 1 265.328 3.108 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCCC1(F)F)c1cc(F)ccc1O ZINC000398212090 799527917 /nfs/dbraw/zinc/52/79/17/799527917.db2.gz SRMAEKWIDGTGJD-UFBFGSQYSA-N 1 1 259.271 3.370 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)c1csnn1)c1ccccc1O ZINC000398468578 799530909 /nfs/dbraw/zinc/53/09/09/799530909.db2.gz MLJATRXAHLCVBF-KOLCDFICSA-N 1 1 263.366 3.046 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC(C)(C)OC[C@@H]2CC)c1O ZINC000403916404 799572413 /nfs/dbraw/zinc/57/24/13/799572413.db2.gz OVKRRMNNMDFXIT-AWEZNQCLSA-N 1 1 293.407 3.180 20 10 CGCDMO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC000700818077 799880609 /nfs/dbraw/zinc/88/06/09/799880609.db2.gz JJJNAWABHYASGL-CABCVRRESA-N 1 1 276.424 3.083 20 10 CGCDMO CCC[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)OCC ZINC000705312110 799946385 /nfs/dbraw/zinc/94/63/85/799946385.db2.gz RZKLFHCEBUIIDU-AAEUAGOBSA-N 1 1 269.360 3.387 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000707128908 799973826 /nfs/dbraw/zinc/97/38/26/799973826.db2.gz CLKAATXTXWDRDA-JTQLQIEISA-N 1 1 284.197 3.387 20 10 CGCDMO CC(C)(C[NH2+]Cc1cc(F)cc(F)c1O)C(C)(F)F ZINC000708501452 799990744 /nfs/dbraw/zinc/99/07/44/799990744.db2.gz GHWWOWWMZFBHLK-UHFFFAOYSA-N 1 1 279.277 3.441 20 10 CGCDMO Cc1cc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)[nH]n1 ZINC001116327183 802330951 /nfs/dbraw/zinc/33/09/51/802330951.db2.gz IQMXSDCSDYNGRG-UHFFFAOYSA-N 1 1 298.434 3.340 20 10 CGCDMO Cc1cc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)[nH]n1 ZINC001116327183 802330959 /nfs/dbraw/zinc/33/09/59/802330959.db2.gz IQMXSDCSDYNGRG-UHFFFAOYSA-N 1 1 298.434 3.340 20 10 CGCDMO C[N@H+](Cc1ccccc1O)Cc1cnccc1Cl ZINC001137238433 803703412 /nfs/dbraw/zinc/70/34/12/803703412.db2.gz WNNPLWCLAATGMS-UHFFFAOYSA-N 1 1 262.740 3.073 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1cnccc1Cl ZINC001137238433 803703415 /nfs/dbraw/zinc/70/34/15/803703415.db2.gz WNNPLWCLAATGMS-UHFFFAOYSA-N 1 1 262.740 3.073 20 10 CGCDMO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c(C)n1-c1ccccc1 ZINC001137854313 803786699 /nfs/dbraw/zinc/78/66/99/803786699.db2.gz QYMVVIVNNSVFJQ-AUUYWEPGSA-N 1 1 298.430 3.297 20 10 CGCDMO c1cc2n(c1)CC[N@@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138220016 803874107 /nfs/dbraw/zinc/87/41/07/803874107.db2.gz XCSPABNQEUPLLL-UHFFFAOYSA-N 1 1 295.430 3.494 20 10 CGCDMO c1cc2n(c1)CC[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138220016 803874113 /nfs/dbraw/zinc/87/41/13/803874113.db2.gz XCSPABNQEUPLLL-UHFFFAOYSA-N 1 1 295.430 3.494 20 10 CGCDMO Cc1c(C[N@H+]2CC[C@@]3(CCOC3)C2)c2ccccc2n1C ZINC001138252519 803878893 /nfs/dbraw/zinc/87/88/93/803878893.db2.gz JOUWPSSNVLQUGT-GOSISDBHSA-N 1 1 284.403 3.099 20 10 CGCDMO Cc1c(C[N@@H+]2CCOC[C@H]2C(C)C)c2ccccc2n1C ZINC001138258396 803883983 /nfs/dbraw/zinc/88/39/83/803883983.db2.gz RCACITWSABTIQZ-SFHVURJKSA-N 1 1 286.419 3.344 20 10 CGCDMO Cc1c(C[N@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c2ccccc2n1C ZINC001138260626 803884201 /nfs/dbraw/zinc/88/42/01/803884201.db2.gz NCJHGNQWZFLGSW-WMLDXEAASA-N 1 1 296.414 3.288 20 10 CGCDMO Cc1c(CN2CCC[C@@H]3C[N@@H+](C)C[C@H]32)c2ccccc2n1C ZINC001138257965 803884679 /nfs/dbraw/zinc/88/46/79/803884679.db2.gz FUNCTPDDLNQMNR-DNVCBOLYSA-N 1 1 297.446 3.013 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138353519 803900021 /nfs/dbraw/zinc/90/00/21/803900021.db2.gz DSKYWTXLYYFDKW-CQSZACIVSA-N 1 1 258.409 3.301 20 10 CGCDMO Cn1ccc2cc(C[N@H+]3CCc4cccc(O)c4C3)ccc21 ZINC001139191686 804153195 /nfs/dbraw/zinc/15/31/95/804153195.db2.gz FQPHWGPBYWXFNV-UHFFFAOYSA-N 1 1 292.382 3.442 20 10 CGCDMO Cc1nc2cc(C)ccn2c1C[N@H+](C)Cc1ccccc1O ZINC001139679962 804249061 /nfs/dbraw/zinc/24/90/61/804249061.db2.gz LDHRIWYIDHDEPW-UHFFFAOYSA-N 1 1 295.386 3.289 20 10 CGCDMO CCCC[NH+]1CCC(N(C)Cc2cc(F)ccc2O)CC1 ZINC001140056050 804361970 /nfs/dbraw/zinc/36/19/70/804361970.db2.gz GGFOHXCCGFEJJO-UHFFFAOYSA-N 1 1 294.414 3.228 20 10 CGCDMO CN(C)c1ccc(C[N@H+](C)Cc2cc(O)ccc2F)cc1 ZINC001140052286 804362176 /nfs/dbraw/zinc/36/21/76/804362176.db2.gz LOZBYTYKWWWNBJ-UHFFFAOYSA-N 1 1 288.366 3.229 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cc(O)ccc2F)cc1 ZINC001140052286 804362181 /nfs/dbraw/zinc/36/21/81/804362181.db2.gz LOZBYTYKWWWNBJ-UHFFFAOYSA-N 1 1 288.366 3.229 20 10 CGCDMO O=C1CC[N@@H+](Cc2c(O)cccc2Cl)[C@H]2CCCC[C@@H]12 ZINC001140337910 804417671 /nfs/dbraw/zinc/41/76/71/804417671.db2.gz MHVBGUDKYYMHPE-RISCZKNCSA-N 1 1 293.794 3.379 20 10 CGCDMO O=C1CC[N@H+](Cc2c(O)cccc2Cl)[C@H]2CCCC[C@@H]12 ZINC001140337910 804417677 /nfs/dbraw/zinc/41/76/77/804417677.db2.gz MHVBGUDKYYMHPE-RISCZKNCSA-N 1 1 293.794 3.379 20 10 CGCDMO O=C1CC[N@@H+](Cc2c(O)cccc2Cl)[C@@H]2CCCC[C@H]12 ZINC001140337911 804418474 /nfs/dbraw/zinc/41/84/74/804418474.db2.gz MHVBGUDKYYMHPE-SMDDNHRTSA-N 1 1 293.794 3.379 20 10 CGCDMO O=C1CC[N@H+](Cc2c(O)cccc2Cl)[C@@H]2CCCC[C@H]12 ZINC001140337911 804418478 /nfs/dbraw/zinc/41/84/78/804418478.db2.gz MHVBGUDKYYMHPE-SMDDNHRTSA-N 1 1 293.794 3.379 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCCC[C@H](F)C1 ZINC001140461636 804442174 /nfs/dbraw/zinc/44/21/74/804442174.db2.gz OHBAYNHZFUYPHF-LBPRGKRZSA-N 1 1 257.736 3.370 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)CC1 ZINC001140466066 804442642 /nfs/dbraw/zinc/44/26/42/804442642.db2.gz VYEAOLBMCLXSHV-CYBMUJFWSA-N 1 1 269.772 3.047 20 10 CGCDMO CC[N@@H+](Cc1cccnc1)Cc1cc(C)ccc1O ZINC001140620924 804476431 /nfs/dbraw/zinc/47/64/31/804476431.db2.gz HLTSKMNICHBIKW-UHFFFAOYSA-N 1 1 256.349 3.118 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CCc3ncc(Cl)cc3C2)c1 ZINC001140623156 804477064 /nfs/dbraw/zinc/47/70/64/804477064.db2.gz HJTVRKPCCWMYIA-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCc3ncc(Cl)cc3C2)c1 ZINC001140623156 804477066 /nfs/dbraw/zinc/47/70/66/804477066.db2.gz HJTVRKPCCWMYIA-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)C[C@@H]2Cc3ccccc3O2)c1 ZINC001140624128 804478306 /nfs/dbraw/zinc/47/83/06/804478306.db2.gz HJTYXBNMHVLULX-INIZCTEOSA-N 1 1 283.371 3.136 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](Oc3ncccc3C)C2)c1 ZINC001140624467 804478704 /nfs/dbraw/zinc/47/87/04/804478704.db2.gz XTWFHOWRGXWUGJ-MRXNPFEDSA-N 1 1 298.386 3.057 20 10 CGCDMO Cc1c(O)ccc(C[N@@H+](C)CCCc2ccccc2)c1O ZINC001140745365 804502945 /nfs/dbraw/zinc/50/29/45/804502945.db2.gz HEAVEZLYIUVKQG-UHFFFAOYSA-N 1 1 285.387 3.471 20 10 CGCDMO CC[C@@H](C)[N@@H+](C)Cc1ccc(N(CC)CC)cc1O ZINC001140852921 804533181 /nfs/dbraw/zinc/53/31/81/804533181.db2.gz FGLYSPYOZLBHJE-CYBMUJFWSA-N 1 1 264.413 3.469 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140921303 804548906 /nfs/dbraw/zinc/54/89/06/804548906.db2.gz APUPOQKVPQBVNU-LLVKDONJSA-N 1 1 252.789 3.248 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@H]2CCCCO2)c(Cl)c1 ZINC001140924943 804550677 /nfs/dbraw/zinc/55/06/77/804550677.db2.gz XSOMCNNSROLSTI-OAHLLOKOSA-N 1 1 296.842 3.407 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2Cl)[C@H](C)C1 ZINC001140927518 804551142 /nfs/dbraw/zinc/55/11/42/804551142.db2.gz SWFCOBINNGCTQN-IUODEOHRSA-N 1 1 296.842 3.405 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@H](c3ccncc3)C2)c(O)c1 ZINC001140949830 804556719 /nfs/dbraw/zinc/55/67/19/804556719.db2.gz MUSAGHMEDJMTEQ-HNNXBMFYSA-N 1 1 268.360 3.085 20 10 CGCDMO Cc1ccc(C[N@@H+](C)Cc2cccc3c2OCO3)c(O)c1 ZINC001140954758 804557548 /nfs/dbraw/zinc/55/75/48/804557548.db2.gz YBORBVILCLBWPB-UHFFFAOYSA-N 1 1 285.343 3.061 20 10 CGCDMO C[N@@H+](Cc1ccc2cccc(O)c2n1)Cc1ccccc1O ZINC001141024322 804573008 /nfs/dbraw/zinc/57/30/08/804573008.db2.gz MFQJBHPPCOBFCW-UHFFFAOYSA-N 1 1 294.354 3.278 20 10 CGCDMO CCC(CC)[N@@H+](CC)Cc1c(O)cc(OC)cc1OC ZINC001141028841 804575167 /nfs/dbraw/zinc/57/51/67/804575167.db2.gz BPRYEKNRNNWEEJ-UHFFFAOYSA-N 1 1 281.396 3.420 20 10 CGCDMO CC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141143949 804597130 /nfs/dbraw/zinc/59/71/30/804597130.db2.gz PLTKQDWJMUHELN-AWEZNQCLSA-N 1 1 274.408 3.137 20 10 CGCDMO C[C@H]1CCCC[N@@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141141510 804597459 /nfs/dbraw/zinc/59/74/59/804597459.db2.gz ZIUCHGOUVUTKQA-AWEZNQCLSA-N 1 1 274.408 3.137 20 10 CGCDMO C[N@H+](Cc1cc(O)ccc1O)Cc1cccc(F)c1F ZINC001141162283 804601999 /nfs/dbraw/zinc/60/19/99/804601999.db2.gz NLWSGFRVRHPHNG-UHFFFAOYSA-N 1 1 279.286 3.008 20 10 CGCDMO C[N@@H+](Cc1cc(O)ccc1O)Cc1cccc(F)c1F ZINC001141162283 804602004 /nfs/dbraw/zinc/60/20/04/804602004.db2.gz NLWSGFRVRHPHNG-UHFFFAOYSA-N 1 1 279.286 3.008 20 10 CGCDMO COc1ccc(C[N@H+](C)Cc2cc(F)c(F)cc2O)cc1 ZINC001142512844 804729342 /nfs/dbraw/zinc/72/93/42/804729342.db2.gz NFAXVHVCXSLVEN-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2cc(F)c(F)cc2O)cc1 ZINC001142512844 804729346 /nfs/dbraw/zinc/72/93/46/804729346.db2.gz NFAXVHVCXSLVEN-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO COC[C@@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143104601 804801191 /nfs/dbraw/zinc/80/11/91/804801191.db2.gz WCBPDLCDXKFINX-CYBMUJFWSA-N 1 1 277.408 3.158 20 10 CGCDMO CN1CCC([N@@H+](C)Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143103686 804801846 /nfs/dbraw/zinc/80/18/46/804801846.db2.gz IVBUDUWDALPGDM-UHFFFAOYSA-N 1 1 290.451 3.216 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CCC[C@@]23CCOC3)c1O ZINC001143112311 804803259 /nfs/dbraw/zinc/80/32/59/804803259.db2.gz PSHYLNSTRXANER-SFHVURJKSA-N 1 1 289.419 3.445 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c1O ZINC001143111926 804804032 /nfs/dbraw/zinc/80/40/32/804804032.db2.gz IJGNHURTQHSCEB-XJKSGUPXSA-N 1 1 289.419 3.301 20 10 CGCDMO CC(=O)[C@@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143112016 804804357 /nfs/dbraw/zinc/80/43/57/804804357.db2.gz IYLMQVUWQLIASS-CYBMUJFWSA-N 1 1 275.392 3.101 20 10 CGCDMO COc1c(F)ccc(C[N@@H+](C)Cc2ccccc2O)c1F ZINC001143329645 804837334 /nfs/dbraw/zinc/83/73/34/804837334.db2.gz YAOAFLUPKSOIJZ-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO Cc1noc2ccc(C[N@H+](C)Cc3ccccc3O)cc12 ZINC001248708892 804972366 /nfs/dbraw/zinc/97/23/66/804972366.db2.gz OVOONSDHBRBSET-UHFFFAOYSA-N 1 1 282.343 3.474 20 10 CGCDMO Cc1nc(C[N@@H+]2CCc3cccc(O)c3C2)ccc1Cl ZINC001248876250 805027146 /nfs/dbraw/zinc/02/71/46/805027146.db2.gz IGDXRQRPHMMODD-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1nc(C[N@H+]2CCc3cccc(O)c3C2)ccc1Cl ZINC001248876250 805027153 /nfs/dbraw/zinc/02/71/53/805027153.db2.gz IGDXRQRPHMMODD-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1cc(C[N@H+](C)C(C)C)c(O)cc1Br ZINC001250116926 805425794 /nfs/dbraw/zinc/42/57/94/805425794.db2.gz IQDKKNXRJQMRKS-UHFFFAOYSA-N 1 1 272.186 3.303 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)C1CCN(c2ccccc2)CC1 ZINC001258515115 807483521 /nfs/dbraw/zinc/48/35/21/807483521.db2.gz HPDIXSQZOYMMCM-UHFFFAOYSA-N 1 1 296.414 3.493 20 10 CGCDMO CC[C@@H](C)OCC[C@H](C)[N@H+]1CCc2cccc(O)c2C1 ZINC001172345058 808244098 /nfs/dbraw/zinc/24/40/98/808244098.db2.gz DNXZTSIRPUZEQW-UONOGXRCSA-N 1 1 277.408 3.344 20 10 CGCDMO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(N2CCCC2)cc1 ZINC001275960359 808978903 /nfs/dbraw/zinc/97/89/03/808978903.db2.gz UAODTUYGDLSFOC-JLYLLQBASA-N 1 1 299.462 3.002 20 10 CGCDMO CCOc1ccc(N2CCC[C@]3(CCC[N@@H+](C)C3)C2)cc1 ZINC001276926122 809045342 /nfs/dbraw/zinc/04/53/42/809045342.db2.gz OADFFLYFCIDLHS-SFHVURJKSA-N 1 1 288.435 3.398 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)Cc2ccccc2)c(O)c1 ZINC001179845083 809951413 /nfs/dbraw/zinc/95/14/13/809951413.db2.gz KBDGNVWUWORBCV-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO COCC[N@@H+](Cc1ccc(Cl)cc1O)C1CCCC1 ZINC001179859202 809952292 /nfs/dbraw/zinc/95/22/92/809952292.db2.gz MQWXXMVTAAEUKP-UHFFFAOYSA-N 1 1 283.799 3.437 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H]1C1CC1 ZINC001180002472 809967416 /nfs/dbraw/zinc/96/74/16/809967416.db2.gz WZVKZDNNJWTHHT-KRWDZBQOSA-N 1 1 258.409 3.435 20 10 CGCDMO Cc1ccc(C[N@@H+]2Cc3ccccc3OC[C@@H]2C)c(O)c1 ZINC001180812212 810022647 /nfs/dbraw/zinc/02/26/47/810022647.db2.gz XGTAMBZZKRHTFZ-AWEZNQCLSA-N 1 1 283.371 3.484 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC001181214288 810043856 /nfs/dbraw/zinc/04/38/56/810043856.db2.gz USFPMVSPSOLMTP-HNNXBMFYSA-N 1 1 297.345 3.109 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC001182204392 810098777 /nfs/dbraw/zinc/09/87/77/810098777.db2.gz QZCVSYPXXPSNGA-OAHLLOKOSA-N 1 1 267.319 3.339 20 10 CGCDMO CN1CCC([N@@H+](Cc2ccccc2O)C2CCCC2)CC1 ZINC001203562955 812394957 /nfs/dbraw/zinc/39/49/57/812394957.db2.gz QVWSUGBVYTZLDZ-UHFFFAOYSA-N 1 1 288.435 3.231 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@@H](C)[C@H](C)C2)c1O ZINC001203586101 812401529 /nfs/dbraw/zinc/40/15/29/812401529.db2.gz YLXWDSGRWNNSAI-CHWSQXEVSA-N 1 1 263.381 3.269 20 10 CGCDMO COc1ccc(C[N@@H+](C)CCc2cccc(F)c2)c(O)c1 ZINC001203634790 812412424 /nfs/dbraw/zinc/41/24/24/812412424.db2.gz VEZKOKSLTHUISS-UHFFFAOYSA-N 1 1 289.350 3.214 20 10 CGCDMO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2O)[C@@](C)(CO)C1 ZINC001203651868 812415222 /nfs/dbraw/zinc/41/52/22/812415222.db2.gz YOTQNAKAPKDMNE-OAHLLOKOSA-N 1 1 283.799 3.029 20 10 CGCDMO CC(C)[N@@H+](CCCCCO)Cc1cc(Cl)ccc1O ZINC001203664543 812422365 /nfs/dbraw/zinc/42/23/65/812422365.db2.gz JUFDKCYTFWMGSO-UHFFFAOYSA-N 1 1 285.815 3.419 20 10 CGCDMO Cc1ccccc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001203708829 812435931 /nfs/dbraw/zinc/43/59/31/812435931.db2.gz QEQCJQAWZCVKMM-UHFFFAOYSA-N 1 1 253.345 3.259 20 10 CGCDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(O)c(O)c2)cc1 ZINC001203879713 812478649 /nfs/dbraw/zinc/47/86/49/812478649.db2.gz ZAZDIDKTHVMKHN-INIZCTEOSA-N 1 1 299.370 3.444 20 10 CGCDMO CCC[N@@H+](Cc1ccc(N(C)C)cc1)C1CCOCC1 ZINC001203936645 812496069 /nfs/dbraw/zinc/49/60/69/812496069.db2.gz ISPLXLSQUOVVHO-UHFFFAOYSA-N 1 1 276.424 3.144 20 10 CGCDMO CC[N@@H+](Cc1cccc(OC)c1)Cc1ccc(O)cc1O ZINC001204279598 812593539 /nfs/dbraw/zinc/59/35/39/812593539.db2.gz BVCCSMMTAVMSTM-UHFFFAOYSA-N 1 1 287.359 3.129 20 10 CGCDMO Oc1ccc(C[N@H+]2CCC[C@H](c3ccccc3)C2)c(O)c1 ZINC001204274941 812594546 /nfs/dbraw/zinc/59/45/46/812594546.db2.gz JVYXLJOJOYVGBY-HNNXBMFYSA-N 1 1 283.371 3.477 20 10 CGCDMO Oc1ccc(C[N@H+]2CC[C@H]2c2ccccc2)c(O)c1 ZINC001204278903 812594944 /nfs/dbraw/zinc/59/49/44/812594944.db2.gz MMQFPBURUVNLHQ-HNNXBMFYSA-N 1 1 255.317 3.045 20 10 CGCDMO F[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204327395 812614379 /nfs/dbraw/zinc/61/43/79/812614379.db2.gz SCGKBZVRWYSEFV-OAHLLOKOSA-N 1 1 262.372 3.221 20 10 CGCDMO O=C1CCC[C@@H]2C[N@@H+](Cc3ccc(N4CCCC4)cc3)C[C@H]12 ZINC001204329334 812615053 /nfs/dbraw/zinc/61/50/53/812615053.db2.gz MQRTVHZDHJLQGV-AEFFLSMTSA-N 1 1 298.430 3.088 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC001204333289 812616803 /nfs/dbraw/zinc/61/68/03/812616803.db2.gz ARWLZDGYFSMVTJ-OCCSQVGLSA-N 1 1 281.783 3.047 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC001204594035 812684261 /nfs/dbraw/zinc/68/42/61/812684261.db2.gz WIAOQDQIRDTBBJ-HOTGVXAUSA-N 1 1 289.419 3.374 20 10 CGCDMO C[C@H]1CC[C@@H](CN)[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001205064882 812843674 /nfs/dbraw/zinc/84/36/74/812843674.db2.gz ZKHKZYGEMCTPMV-HOCLYGCPSA-N 1 1 297.446 3.217 20 10 CGCDMO C[C@H]1CC[C@@H](C[NH3+])N1Cc1ccc(N(C)C)c2ccccc12 ZINC001205064882 812843701 /nfs/dbraw/zinc/84/37/01/812843701.db2.gz ZKHKZYGEMCTPMV-HOCLYGCPSA-N 1 1 297.446 3.217 20 10 CGCDMO CCc1cccc(C[N@H+]2CCOC3(CCCCC3)C2)c1O ZINC001205642489 813037592 /nfs/dbraw/zinc/03/75/92/813037592.db2.gz KNPWFKMBRNALSV-UHFFFAOYSA-N 1 1 289.419 3.490 20 10 CGCDMO C[C@H]1CC[C@@H](CN)[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001205843082 813103948 /nfs/dbraw/zinc/10/39/48/813103948.db2.gz RDBRUNJARHXALO-GUYCJALGSA-N 1 1 284.403 3.105 20 10 CGCDMO C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc2ccccc2cc1[O-] ZINC001205915843 813131724 /nfs/dbraw/zinc/13/17/24/813131724.db2.gz QVWXYCBBTKRDDQ-BBRMVZONSA-N 1 1 284.403 3.105 20 10 CGCDMO C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc2ccccc2cc1[O-] ZINC001205915843 813131730 /nfs/dbraw/zinc/13/17/30/813131730.db2.gz QVWXYCBBTKRDDQ-BBRMVZONSA-N 1 1 284.403 3.105 20 10 CGCDMO Cc1ccc(C[N@H+]2Cc3ccccc3O[C@H](C)C2)c(O)c1 ZINC001206062908 813186996 /nfs/dbraw/zinc/18/69/96/813186996.db2.gz GCBDZFHEBTXWMP-CQSZACIVSA-N 1 1 283.371 3.484 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccnc1OC ZINC001206595489 813368171 /nfs/dbraw/zinc/36/81/71/813368171.db2.gz FANUBWTXMVDDFF-UHFFFAOYSA-N 1 1 299.418 3.178 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[NH+]1CC(Oc2ccccc2)C1 ZINC001207866151 813664576 /nfs/dbraw/zinc/66/45/76/813664576.db2.gz RFJBBVFTBXQCOL-UHFFFAOYSA-N 1 1 296.414 3.324 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@](C)(CO)C2)cc1 ZINC001209516808 814071701 /nfs/dbraw/zinc/07/17/01/814071701.db2.gz PLGWDDLUCPARMH-IBGZPJMESA-N 1 1 298.430 3.298 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCCN(C)CC2)cc1 ZINC001209519412 814072413 /nfs/dbraw/zinc/07/24/13/814072413.db2.gz RZCYHFFYYAEMBY-UHFFFAOYSA-N 1 1 297.446 3.232 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(CN2CCC[N@@H+](C)CC2)cc1 ZINC001209519412 814072419 /nfs/dbraw/zinc/07/24/19/814072419.db2.gz RZCYHFFYYAEMBY-UHFFFAOYSA-N 1 1 297.446 3.232 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(CN2CCC[N@H+](C)CC2)cc1 ZINC001209519412 814072427 /nfs/dbraw/zinc/07/24/27/814072427.db2.gz RZCYHFFYYAEMBY-UHFFFAOYSA-N 1 1 297.446 3.232 20 10 CGCDMO CC[N@@H+](Cc1ccc(C)[nH]1)Cc1ccc(N(C)C)cc1 ZINC001209575886 814088360 /nfs/dbraw/zinc/08/83/60/814088360.db2.gz OCLUAZFYBKOGJH-UHFFFAOYSA-N 1 1 271.408 3.411 20 10 CGCDMO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC001231586496 818129059 /nfs/dbraw/zinc/12/90/59/818129059.db2.gz IHNPCVKZBSUWDQ-GOSISDBHSA-N 1 1 299.370 3.073 20 10 CGCDMO C[N@@H+](Cc1ccno1)Cc1c(O)ccc2ccccc21 ZINC001231589550 818130448 /nfs/dbraw/zinc/13/04/48/818130448.db2.gz KCOQFOMSYZJRDL-UHFFFAOYSA-N 1 1 268.316 3.165 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001231590687 818131508 /nfs/dbraw/zinc/13/15/08/818131508.db2.gz KRXMMLQJTRRPOI-RDTXWAMCSA-N 1 1 283.371 3.156 20 10 CGCDMO CC(=O)[C@@H]1CCCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC001231590515 818132232 /nfs/dbraw/zinc/13/22/32/818132232.db2.gz GARLVEXAQVQXOP-KRWDZBQOSA-N 1 1 283.371 3.489 20 10 CGCDMO COc1cc(C[N@H+]2Cc3ccccc3C[C@H]2C)c(O)cc1O ZINC001231636916 818143628 /nfs/dbraw/zinc/14/36/28/818143628.db2.gz AOMSNKZMALQTDI-GFCCVEGCSA-N 1 1 299.370 3.053 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@@](C)(F)[C@H](F)C2)c(O)c1 ZINC001231842197 818186450 /nfs/dbraw/zinc/18/64/50/818186450.db2.gz KQMWGXDQMUEQRS-HUUCEWRRSA-N 1 1 269.335 3.281 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCCC[C@@H](F)C2)c(O)c1 ZINC001231842560 818186539 /nfs/dbraw/zinc/18/65/39/818186539.db2.gz OEPUEEHFNQMFNS-CYBMUJFWSA-N 1 1 251.345 3.333 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c(O)c1 ZINC001231846547 818187422 /nfs/dbraw/zinc/18/74/22/818187422.db2.gz NXSUNCZQRIOTIR-CQSZACIVSA-N 1 1 267.319 3.240 20 10 CGCDMO Cc1cc(C)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c(O)c1 ZINC001231845289 818187439 /nfs/dbraw/zinc/18/74/39/818187439.db2.gz XEGBBTMEGGXSQU-BETUJISGSA-N 1 1 281.346 3.486 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001231851372 818189424 /nfs/dbraw/zinc/18/94/24/818189424.db2.gz GJGXRMSQCKIZQI-HUUCEWRRSA-N 1 1 288.435 3.383 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCCC23CC3)cc1Cl ZINC001231868999 818193333 /nfs/dbraw/zinc/19/33/33/818193333.db2.gz LKRASLQNAANOIJ-UHFFFAOYSA-N 1 1 251.757 3.482 20 10 CGCDMO C[C@H]1CC(=O)CC[N@H+]1Cc1ccc2ccccc2c1O ZINC001231879523 818200008 /nfs/dbraw/zinc/20/00/08/818200008.db2.gz GVTKPOINHGGCBM-LBPRGKRZSA-N 1 1 269.344 3.099 20 10 CGCDMO CSCC[N@@H+](C)Cc1ccc2ccccc2c1O ZINC001231882040 818202889 /nfs/dbraw/zinc/20/28/89/818202889.db2.gz FKDCZDJSGKOCQJ-UHFFFAOYSA-N 1 1 261.390 3.340 20 10 CGCDMO CCCCC[NH+]1CCN(Cc2cccc(Cl)c2O)CC1 ZINC001231911470 818210352 /nfs/dbraw/zinc/21/03/52/818210352.db2.gz GPIRBPSZJAUPOO-UHFFFAOYSA-N 1 1 296.842 3.353 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](F)CC2)cc1Cl ZINC001232267138 818297221 /nfs/dbraw/zinc/29/72/21/818297221.db2.gz XMEJYSLWXJSKMJ-LLVKDONJSA-N 1 1 287.762 3.378 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(N)nc1C ZINC001232345494 818324001 /nfs/dbraw/zinc/32/40/01/818324001.db2.gz FJQSBNHSYFIMDY-UHFFFAOYSA-N 1 1 298.434 3.060 20 10 CGCDMO CCC[N@@H+](CC)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232402611 818339852 /nfs/dbraw/zinc/33/98/52/818339852.db2.gz YSUCLWCZROBMOW-UHFFFAOYSA-N 1 1 288.391 3.197 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC(F)(F)CC2)c(O)c1 ZINC001232834693 818451659 /nfs/dbraw/zinc/45/16/59/818451659.db2.gz JVDUSFNLNVDVOR-UHFFFAOYSA-N 1 1 284.350 3.079 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c(O)c1 ZINC001232835661 818452185 /nfs/dbraw/zinc/45/21/85/818452185.db2.gz FJKRPUIIWHNRKI-KGLIPLIRSA-N 1 1 274.408 3.080 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCCC[C@@](C)(O)C2)c1 ZINC001233283928 818566005 /nfs/dbraw/zinc/56/60/05/818566005.db2.gz BAVUWGCUXGJONS-GOSISDBHSA-N 1 1 291.435 3.427 20 10 CGCDMO C[C@H]1C[N@H+](Cc2cc(C(C)(C)C)ccc2O)CCC1=O ZINC001233284272 818567560 /nfs/dbraw/zinc/56/75/60/818567560.db2.gz OCVUQAADJADYEA-LBPRGKRZSA-N 1 1 275.392 3.101 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)ccc2O)CCC1=O ZINC001233284272 818567567 /nfs/dbraw/zinc/56/75/67/818567567.db2.gz OCVUQAADJADYEA-LBPRGKRZSA-N 1 1 275.392 3.101 20 10 CGCDMO C[N@@H+](Cc1cnccn1)Cc1cc(C(C)(C)C)ccc1O ZINC001233286564 818567856 /nfs/dbraw/zinc/56/78/56/818567856.db2.gz ZCROELJYIGGJCC-UHFFFAOYSA-N 1 1 285.391 3.112 20 10 CGCDMO C[N@@H+](Cc1ccncn1)Cc1cc(C(C)(C)C)ccc1O ZINC001233287339 818569278 /nfs/dbraw/zinc/56/92/78/818569278.db2.gz LBEWEICZCWPPOM-UHFFFAOYSA-N 1 1 285.391 3.112 20 10 CGCDMO CCN1CC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C[C@H]1C ZINC001233287563 818571136 /nfs/dbraw/zinc/57/11/36/818571136.db2.gz XBCWNBIUHNBSAD-CQSZACIVSA-N 1 1 290.451 3.216 20 10 CGCDMO CC[N@@H+]1CCN(Cc2cc(C(C)(C)C)ccc2O)C[C@H]1C ZINC001233287563 818571141 /nfs/dbraw/zinc/57/11/41/818571141.db2.gz XBCWNBIUHNBSAD-CQSZACIVSA-N 1 1 290.451 3.216 20 10 CGCDMO CC[N@H+]1CCN(Cc2cc(C(C)(C)C)ccc2O)C[C@H]1C ZINC001233287563 818571145 /nfs/dbraw/zinc/57/11/45/818571145.db2.gz XBCWNBIUHNBSAD-CQSZACIVSA-N 1 1 290.451 3.216 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001233332857 818584540 /nfs/dbraw/zinc/58/45/40/818584540.db2.gz ZXZIXCWRLLBKQL-DTORHVGOSA-N 1 1 289.272 3.148 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001233332857 818584548 /nfs/dbraw/zinc/58/45/48/818584548.db2.gz ZXZIXCWRLLBKQL-DTORHVGOSA-N 1 1 289.272 3.148 20 10 CGCDMO C[N@@H+](Cc1c(O)ccc(F)c1F)CC1CCCC1 ZINC001233335423 818587263 /nfs/dbraw/zinc/58/72/63/818587263.db2.gz URSUJSDGEXOAJW-UHFFFAOYSA-N 1 1 255.308 3.292 20 10 CGCDMO C[N@H+](Cc1c(O)ccc(F)c1F)CC1CCCC1 ZINC001233335423 818587270 /nfs/dbraw/zinc/58/72/70/818587270.db2.gz URSUJSDGEXOAJW-UHFFFAOYSA-N 1 1 255.308 3.292 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)Cc1cccc2nccn21 ZINC001233363479 818596982 /nfs/dbraw/zinc/59/69/82/818596982.db2.gz HZGUDBYYPOAXGE-UHFFFAOYSA-N 1 1 281.359 3.062 20 10 CGCDMO Cc1ncc(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)o1 ZINC001233367224 818597329 /nfs/dbraw/zinc/59/73/29/818597329.db2.gz SGYSLMZVOMBMCU-UHFFFAOYSA-N 1 1 285.391 3.215 20 10 CGCDMO Cc1ncc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)o1 ZINC001233367224 818597332 /nfs/dbraw/zinc/59/73/32/818597332.db2.gz SGYSLMZVOMBMCU-UHFFFAOYSA-N 1 1 285.391 3.215 20 10 CGCDMO CC[N@@H+](Cc1ccc(C(F)(F)F)cc1O)C1CC1 ZINC001233451514 818623454 /nfs/dbraw/zinc/62/34/54/818623454.db2.gz NJHGQBVDRYAHPK-UHFFFAOYSA-N 1 1 259.271 3.395 20 10 CGCDMO C[C@H]1CCC[N@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233726783 818691720 /nfs/dbraw/zinc/69/17/20/818691720.db2.gz HQRNYOOUFMXKCQ-VIFPVBQESA-N 1 1 275.270 3.275 20 10 CGCDMO CN(C)C1(C)C[NH+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234997338 818972274 /nfs/dbraw/zinc/97/22/74/818972274.db2.gz XYFQYLPDAORCTA-UHFFFAOYSA-N 1 1 296.414 3.195 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2O)CC[C@]1(C)O ZINC001235674886 819135685 /nfs/dbraw/zinc/13/56/85/819135685.db2.gz HVYHXXATSWLEQM-UGSOOPFHSA-N 1 1 291.435 3.283 20 10 CGCDMO CCN(CC)CC[N@H+](C)Cc1ccc(C(C)(C)C)cc1O ZINC001235676346 819136226 /nfs/dbraw/zinc/13/62/26/819136226.db2.gz QQYYCWIDTGBHIE-UHFFFAOYSA-N 1 1 292.467 3.463 20 10 CGCDMO CCN(CC)CC[N@@H+](C)Cc1ccc(C(C)(C)C)cc1O ZINC001235676346 819136231 /nfs/dbraw/zinc/13/62/31/819136231.db2.gz QQYYCWIDTGBHIE-UHFFFAOYSA-N 1 1 292.467 3.463 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)c(O)c1 ZINC001235679552 819138052 /nfs/dbraw/zinc/13/80/52/819138052.db2.gz FYBATBKMDYDPPM-HUUCEWRRSA-N 1 1 275.392 3.053 20 10 CGCDMO CC(C)[N@@H+](CCN)Cc1ccc(N(C)C)c2ccccc12 ZINC001235948556 819237348 /nfs/dbraw/zinc/23/73/48/819237348.db2.gz PSBADWDECXAXHN-UHFFFAOYSA-N 1 1 285.435 3.075 20 10 CGCDMO CC(C)N(CC[NH3+])Cc1ccc(N(C)C)c2ccccc12 ZINC001235948556 819237359 /nfs/dbraw/zinc/23/73/59/819237359.db2.gz PSBADWDECXAXHN-UHFFFAOYSA-N 1 1 285.435 3.075 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+](C)Cc2ccccc2O)n1 ZINC001236646585 819559699 /nfs/dbraw/zinc/55/96/99/819559699.db2.gz JPVRORLKTUPDEP-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO CCc1ccc(CN2CCC([N@@H+](C)C3CC3)CC2)c(O)c1 ZINC001236792944 819597181 /nfs/dbraw/zinc/59/71/81/819597181.db2.gz UJJIABXGHRQWJQ-UHFFFAOYSA-N 1 1 288.435 3.013 20 10 CGCDMO CCc1ccc(C[N@H+]2CCC[C@@H]2c2cnccn2)c(O)c1 ZINC001236794261 819598333 /nfs/dbraw/zinc/59/83/33/819598333.db2.gz KEXCIBFFQRISAN-MRXNPFEDSA-N 1 1 283.375 3.082 20 10 CGCDMO COc1cc(O)c(C[NH+]2CCC(F)(F)CC2)c(Cl)c1 ZINC001236798361 819598932 /nfs/dbraw/zinc/59/89/32/819598932.db2.gz NODIILMEOLVMTH-UHFFFAOYSA-N 1 1 291.725 3.285 20 10 CGCDMO COc1ccc(C[N@@H+]2CCCC23CC3)c(O)c1Cl ZINC001236800576 819598984 /nfs/dbraw/zinc/59/89/84/819598984.db2.gz ANWLHNWGSQCZNG-UHFFFAOYSA-N 1 1 267.756 3.183 20 10 CGCDMO COc1ccc(C[N@H+]2CCCC23CC3)c(O)c1Cl ZINC001236800576 819598987 /nfs/dbraw/zinc/59/89/87/819598987.db2.gz ANWLHNWGSQCZNG-UHFFFAOYSA-N 1 1 267.756 3.183 20 10 CGCDMO C[C@H]1CC[C@H](CO)C[N@H+]1Cc1cc2ccccc2cc1O ZINC001236827654 819609194 /nfs/dbraw/zinc/60/91/94/819609194.db2.gz VOSBXCFFJUJLFI-KBPBESRZSA-N 1 1 285.387 3.138 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc3ccccc3cc2O)CCC[C@H]1O ZINC001236826745 819609652 /nfs/dbraw/zinc/60/96/52/819609652.db2.gz MEDRKNNBZKOTDW-SUMWQHHRSA-N 1 1 285.387 3.138 20 10 CGCDMO C[C@]1(O)CCCC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236827561 819609926 /nfs/dbraw/zinc/60/99/26/819609926.db2.gz VDJITTNJRMVRKB-SFHVURJKSA-N 1 1 285.387 3.282 20 10 CGCDMO OC[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cc2O)CC1 ZINC001236827895 819609958 /nfs/dbraw/zinc/60/99/58/819609958.db2.gz WCLSWQZSTATDSF-CQSZACIVSA-N 1 1 285.387 3.140 20 10 CGCDMO C[C@@H]1C[C@H](F)C[N@H+]1Cc1cc2ccccc2cc1O ZINC001236827915 819610082 /nfs/dbraw/zinc/61/00/82/819610082.db2.gz WOGUUHSPLAUGQU-ABAIWWIYSA-N 1 1 259.324 3.478 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2C[C@H](CO)CC[C@H]2C)c(O)c1 ZINC001237044423 819649708 /nfs/dbraw/zinc/64/97/08/819649708.db2.gz CSPWCAVZNIYEHS-ZIAGYGMSSA-N 1 1 277.408 3.108 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c(O)c1 ZINC001237050069 819651565 /nfs/dbraw/zinc/65/15/65/819651565.db2.gz XCHZPNDPURQMJA-KKUMJFAQSA-N 1 1 263.356 3.448 20 10 CGCDMO CCCN1CC[NH+](Cc2ccc(C(C)C)cc2O)CC1 ZINC001237049306 819651723 /nfs/dbraw/zinc/65/17/23/819651723.db2.gz NDUIDCCLQJRFNE-UHFFFAOYSA-N 1 1 276.424 3.043 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](F)C2)c(O)c1 ZINC001237050081 819652010 /nfs/dbraw/zinc/65/20/10/819652010.db2.gz XIOJHZHUADVKLR-AWEZNQCLSA-N 1 1 251.345 3.450 20 10 CGCDMO CC(C)c1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c(O)c1 ZINC001237050395 819652634 /nfs/dbraw/zinc/65/26/34/819652634.db2.gz AGYJUQWFYWHETN-GOSISDBHSA-N 1 1 288.435 3.043 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c(O)c1 ZINC001237050395 819652636 /nfs/dbraw/zinc/65/26/36/819652636.db2.gz AGYJUQWFYWHETN-GOSISDBHSA-N 1 1 288.435 3.043 20 10 CGCDMO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1c(O)ccc(Cl)c1Cl ZINC001237078783 819661951 /nfs/dbraw/zinc/66/19/51/819661951.db2.gz WYRNNTZVUPYBDW-BDAKNGLRSA-N 1 1 290.190 3.044 20 10 CGCDMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1c(O)ccc(Cl)c1Cl ZINC001237078783 819661956 /nfs/dbraw/zinc/66/19/56/819661956.db2.gz WYRNNTZVUPYBDW-BDAKNGLRSA-N 1 1 290.190 3.044 20 10 CGCDMO COC[C@H]1CCCC[N@H+]1Cc1c(O)ccc(F)c1Cl ZINC001237122127 819673516 /nfs/dbraw/zinc/67/35/16/819673516.db2.gz SERURHLVXTYFST-SNVBAGLBSA-N 1 1 287.762 3.186 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237127020 819673948 /nfs/dbraw/zinc/67/39/48/819673948.db2.gz SFAYVEYQLAZKDX-JTQLQIEISA-N 1 1 287.762 3.186 20 10 CGCDMO C[N@@H+](Cc1cc(C(F)(F)F)ccc1O)C1CCOCC1 ZINC001237134772 819674740 /nfs/dbraw/zinc/67/47/40/819674740.db2.gz CCXHMNGRGXGJOM-UHFFFAOYSA-N 1 1 289.297 3.022 20 10 CGCDMO CSCC[N@@H+](C)Cc1cc(C(F)(F)F)ccc1O ZINC001237146871 819678719 /nfs/dbraw/zinc/67/87/19/819678719.db2.gz XBOGSKVRIRZFIW-UHFFFAOYSA-N 1 1 279.327 3.206 20 10 CGCDMO CCCCCC[NH+]1CCN(Cc2c(C)cccc2O)CC1 ZINC001237489033 819762640 /nfs/dbraw/zinc/76/26/40/819762640.db2.gz DBFOQPFGPHTYKN-UHFFFAOYSA-N 1 1 290.451 3.399 20 10 CGCDMO COc1cc(C[N@H+]2CCC3(CCCC3)C2)c(O)c(OC)c1 ZINC001237675179 819803212 /nfs/dbraw/zinc/80/32/12/819803212.db2.gz BCQXOADRKFFWBK-UHFFFAOYSA-N 1 1 291.391 3.176 20 10 CGCDMO [O-]c1c(Cl)cc(F)cc1C[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001237799177 819845205 /nfs/dbraw/zinc/84/52/05/819845205.db2.gz DSTZZDDWUBNCAB-YGRLFVJLSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@@H+]1CCC[C@H](CF)C1 ZINC001237938231 819889881 /nfs/dbraw/zinc/88/98/81/819889881.db2.gz ZTGIXXJHSWCNRS-SECBINFHSA-N 1 1 275.726 3.366 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@H+]1CCC[C@H](CF)C1 ZINC001237938231 819889892 /nfs/dbraw/zinc/88/98/92/819889892.db2.gz ZTGIXXJHSWCNRS-SECBINFHSA-N 1 1 275.726 3.366 20 10 CGCDMO Cc1cc(F)cc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)c1O ZINC001238058444 819920442 /nfs/dbraw/zinc/92/04/42/819920442.db2.gz SBZMBPKXPUWORG-CABCVRRESA-N 1 1 291.366 3.173 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)c1O ZINC001238058444 819920444 /nfs/dbraw/zinc/92/04/44/819920444.db2.gz SBZMBPKXPUWORG-CABCVRRESA-N 1 1 291.366 3.173 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CCc3sccc3C2)c1O ZINC001238064462 819920718 /nfs/dbraw/zinc/92/07/18/819920718.db2.gz PKYHAKYHUIDNIJ-UHFFFAOYSA-N 1 1 277.364 3.460 20 10 CGCDMO CC[C@@]1(O)CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001352875106 937051941 /nfs/dbraw/zinc/05/19/41/937051941.db2.gz DIGNEJMDDVGVJL-GOSISDBHSA-N 1 1 288.435 3.024 20 10 CGCDMO Cc1csc(C[C@@H]2CC[N@@H+](Cc3ccc(N)cc3)C2)n1 ZINC001356083577 937152754 /nfs/dbraw/zinc/15/27/54/937152754.db2.gz TVHPGDIJEPXXRA-AWEZNQCLSA-N 1 1 287.432 3.098 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CCCN(CC)C1)c1ccccc1O ZINC000155480541 928253419 /nfs/dbraw/zinc/25/34/19/928253419.db2.gz IPOBFUOGBURYDQ-HOCLYGCPSA-N 1 1 276.424 3.165 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c(O)c1 ZINC000179951377 932015978 /nfs/dbraw/zinc/01/59/78/932015978.db2.gz UAQMMBVIXKUOKV-NSHDSACASA-N 1 1 289.297 3.175 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCCC2(CC2)C1 ZINC001462124867 937619693 /nfs/dbraw/zinc/61/96/93/937619693.db2.gz DTMGBOSXZOPMJO-UHFFFAOYSA-N 1 1 251.757 3.422 20 10 CGCDMO CCn1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2O)c1 ZINC001462096254 937617389 /nfs/dbraw/zinc/61/73/89/937617389.db2.gz MSUVBZUUNJWGET-UHFFFAOYSA-N 1 1 278.783 3.499 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C)[C@@H](CC)CO1 ZINC001462415254 937639025 /nfs/dbraw/zinc/63/90/25/937639025.db2.gz PGGOLHIFMGDZPF-FUHWJXTLSA-N 1 1 290.451 3.450 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)[C@@H](C)C(C)C)c(O)c1 ZINC001308613984 933143575 /nfs/dbraw/zinc/14/35/75/933143575.db2.gz KWTWVMFHRZSSNF-LBPRGKRZSA-N 1 1 251.370 3.186 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+](CCN(C)C)CC(C)C ZINC001308746471 933169066 /nfs/dbraw/zinc/16/90/66/933169066.db2.gz DKOMUSYAPTYKJI-UHFFFAOYSA-N 1 1 291.483 3.081 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)[C@H]2CCCC[C@H]2C)cc1OC ZINC001308755617 933171649 /nfs/dbraw/zinc/17/16/49/933171649.db2.gz UXCGMNLYNOZZBG-OCCSQVGLSA-N 1 1 293.407 3.420 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@@H+](C)CC2=CCCOC2)c1 ZINC001308855642 933190310 /nfs/dbraw/zinc/19/03/10/933190310.db2.gz QXGKEXQVKFMTBU-UHFFFAOYSA-N 1 1 275.392 3.294 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1cccc3c1CCC3)C2 ZINC001308910919 933202370 /nfs/dbraw/zinc/20/23/70/933202370.db2.gz QRIIIKDKYICRSA-UHFFFAOYSA-N 1 1 265.356 3.397 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]CCc1ccc(F)c(F)c1 ZINC001308947956 933209515 /nfs/dbraw/zinc/20/95/15/933209515.db2.gz JNNHKPZUMOWAJN-UHFFFAOYSA-N 1 1 281.277 3.142 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CCC[C@H](F)C1 ZINC001331287853 935365919 /nfs/dbraw/zinc/36/59/19/935365919.db2.gz CHLMJDONDMKZGR-ONGXEEELSA-N 1 1 259.271 3.041 20 10 CGCDMO CC(C)c1ccc(O)c(C[NH+]2CCN(CC3CC3)CC2)c1 ZINC001474337172 937852823 /nfs/dbraw/zinc/85/28/23/937852823.db2.gz UVIPKGMGBNTYGR-UHFFFAOYSA-N 1 1 288.435 3.043 20 10 CGCDMO CC[N@H+](CCc1ccccn1)Cc1cc(F)c(F)cc1O ZINC001474366435 937854619 /nfs/dbraw/zinc/85/46/19/937854619.db2.gz QHOMKIHWPCWUAP-UHFFFAOYSA-N 1 1 292.329 3.130 20 10 CGCDMO CC[N@@H+](CCc1ccccn1)Cc1cc(F)c(F)cc1O ZINC001474366435 937854621 /nfs/dbraw/zinc/85/46/21/937854621.db2.gz QHOMKIHWPCWUAP-UHFFFAOYSA-N 1 1 292.329 3.130 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)CCC(F)(F)F)c(O)c1 ZINC001474382095 937856337 /nfs/dbraw/zinc/85/63/37/937856337.db2.gz BRIRGHRUCCDJKO-UHFFFAOYSA-N 1 1 277.286 3.093 20 10 CGCDMO CN(C)c1ccc(C[N@H+](Cc2ncccc2F)C2CC2)cc1 ZINC001474414442 937858520 /nfs/dbraw/zinc/85/85/20/937858520.db2.gz FLROXSIAYTYPCB-UHFFFAOYSA-N 1 1 299.393 3.451 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](Cc2ncccc2F)C2CC2)cc1 ZINC001474414442 937858522 /nfs/dbraw/zinc/85/85/22/937858522.db2.gz FLROXSIAYTYPCB-UHFFFAOYSA-N 1 1 299.393 3.451 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)Cc2ccc(O)cc2)c(O)c1 ZINC001474502967 937863128 /nfs/dbraw/zinc/86/31/28/937863128.db2.gz GRODQGKZINCDOS-UHFFFAOYSA-N 1 1 287.359 3.047 20 10 CGCDMO Oc1cc(Cl)ccc1C[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC001560732204 938273123 /nfs/dbraw/zinc/27/31/23/938273123.db2.gz GILKVHORXRXFGA-HIFRSBDPSA-N 1 1 281.783 3.093 20 10 CGCDMO CCc1cccc(C[N@@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c1O ZINC001560835036 938278789 /nfs/dbraw/zinc/27/87/89/938278789.db2.gz YHEYDQVSRBWGRX-JKSUJKDBSA-N 1 1 289.419 3.344 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC001560886069 938281919 /nfs/dbraw/zinc/28/19/19/938281919.db2.gz UAFLDOMLWHRFCF-LLVKDONJSA-N 1 1 267.319 3.292 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC001560886069 938281921 /nfs/dbraw/zinc/28/19/21/938281921.db2.gz UAFLDOMLWHRFCF-LLVKDONJSA-N 1 1 267.319 3.292 20 10 CGCDMO CCO[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2F)C12CCCC2 ZINC001561016023 938289637 /nfs/dbraw/zinc/28/96/37/938289637.db2.gz MVWATKNKCBLCIV-CVEARBPZSA-N 1 1 293.382 3.359 20 10 CGCDMO Nc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cc1 ZINC001580443656 962728193 /nfs/dbraw/zinc/72/81/93/962728193.db2.gz WECDLGJPYOWDIS-KRWDZBQOSA-N 1 1 286.419 3.050 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)C2CCCC2)c1[O-] ZINC000037323013 260159662 /nfs/dbraw/zinc/15/96/62/260159662.db2.gz LZDJJEKJGIGPNW-UHFFFAOYSA-N 1 1 265.328 3.108 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)C2CCCC2)c1O ZINC000037323013 260159664 /nfs/dbraw/zinc/15/96/64/260159664.db2.gz LZDJJEKJGIGPNW-UHFFFAOYSA-N 1 1 265.328 3.108 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)C2CCCC2)c1O ZINC000037323013 260159669 /nfs/dbraw/zinc/15/96/69/260159669.db2.gz LZDJJEKJGIGPNW-UHFFFAOYSA-N 1 1 265.328 3.108 20 10 CGCDMO CC[N@H+]1CC[C@H](N(C)Cc2c(O)cccc2Cl)[C@H](C)C1 ZINC000130492465 371037702 /nfs/dbraw/zinc/03/77/02/371037702.db2.gz PNWUFUDLQWQYJY-DOMZBBRYSA-N 1 1 296.842 3.208 20 10 CGCDMO Cc1cc(NCc2c(O)ccc3c2CCCC3)nc(C)[nH+]1 ZINC000132958745 371215309 /nfs/dbraw/zinc/21/53/09/371215309.db2.gz NKYFHZJJXSLHQX-UHFFFAOYSA-N 1 1 283.375 3.290 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1O ZINC000156038950 371958626 /nfs/dbraw/zinc/95/86/26/371958626.db2.gz SJUXMKDJEHMAGN-OCCSQVGLSA-N 1 1 261.365 3.165 20 10 CGCDMO COC1(CC[NH2+][C@@H](C)c2ccc(F)cc2O)CCC1 ZINC000293747538 372468341 /nfs/dbraw/zinc/46/83/41/372468341.db2.gz PYDCMRZGGCQAMO-NSHDSACASA-N 1 1 267.344 3.141 20 10 CGCDMO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2c(C)cc(C)cc2O)n[nH]1 ZINC000294678358 372665407 /nfs/dbraw/zinc/66/54/07/372665407.db2.gz HZLRMWRQXIBUPX-OCCSQVGLSA-N 1 1 287.407 3.322 20 10 CGCDMO CCOC(C)(C)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294749609 372669816 /nfs/dbraw/zinc/66/98/16/372669816.db2.gz RILMUXOBYMIFLC-UHFFFAOYSA-N 1 1 275.751 3.089 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCSC1 ZINC000294811613 372672107 /nfs/dbraw/zinc/67/21/07/372672107.db2.gz WTYHNTZFIIHGSP-QMMMGPOBSA-N 1 1 275.776 3.027 20 10 CGCDMO C[N@@H+](Cc1c(O)cccc1Cl)[C@H](CO)c1ccccc1 ZINC000295097447 372692723 /nfs/dbraw/zinc/69/27/23/372692723.db2.gz SGKQKBDVALZXOM-OAHLLOKOSA-N 1 1 291.778 3.211 20 10 CGCDMO CCCOc1ccc(C[N@H+]2CC[C@H](SC)C2)c(O)c1 ZINC000295126450 372694148 /nfs/dbraw/zinc/69/41/48/372694148.db2.gz XKISFNYOUWUKKN-AWEZNQCLSA-N 1 1 281.421 3.118 20 10 CGCDMO COCCc1cc[nH+]c(N[C@@H]2CCc3cccc(O)c32)c1 ZINC000297340822 373268156 /nfs/dbraw/zinc/26/81/56/373268156.db2.gz OMNNBCBRWYXKEG-CQSZACIVSA-N 1 1 284.359 3.076 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000179950847 373945023 /nfs/dbraw/zinc/94/50/23/373945023.db2.gz TYAHOJGDLONGTF-LLVKDONJSA-N 1 1 259.271 3.167 20 10 CGCDMO Cc1cccc(C[N@H+]2CCSC(C)(C)C2)c1O ZINC000180315741 373990169 /nfs/dbraw/zinc/99/01/69/373990169.db2.gz DTMAWOVMIKTFOM-UHFFFAOYSA-N 1 1 251.395 3.028 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)c1cnccn1 ZINC000184590040 374542437 /nfs/dbraw/zinc/54/24/37/374542437.db2.gz FKEOJVGIVWGAQP-CYBMUJFWSA-N 1 1 271.364 3.155 20 10 CGCDMO Cc1ccc(O)c(C[NH2+]Cc2nnc(C(C)(C)C)s2)c1 ZINC000268170726 378049694 /nfs/dbraw/zinc/04/96/94/378049694.db2.gz GOVSQESZLWBONR-UHFFFAOYSA-N 1 1 291.420 3.139 20 10 CGCDMO Oc1ccc(F)cc1C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000272310281 378610428 /nfs/dbraw/zinc/61/04/28/378610428.db2.gz RIVDUKIUVTVLAQ-KRWDZBQOSA-N 1 1 287.334 3.105 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000272310281 378610433 /nfs/dbraw/zinc/61/04/33/378610433.db2.gz RIVDUKIUVTVLAQ-KRWDZBQOSA-N 1 1 287.334 3.105 20 10 CGCDMO CN(C)c1cccc(C[N@H+](C)Cc2cccc(F)c2O)c1 ZINC000272363566 378620187 /nfs/dbraw/zinc/62/01/87/378620187.db2.gz FSFJNGUXHGFNPY-UHFFFAOYSA-N 1 1 288.366 3.229 20 10 CGCDMO CN(C)c1cccc(C[N@@H+](C)Cc2cccc(F)c2O)c1 ZINC000272363566 378620194 /nfs/dbraw/zinc/62/01/94/378620194.db2.gz FSFJNGUXHGFNPY-UHFFFAOYSA-N 1 1 288.366 3.229 20 10 CGCDMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000273392150 378743801 /nfs/dbraw/zinc/74/38/01/378743801.db2.gz KDCVWQUSYUUYNF-ZDUSSCGKSA-N 1 1 287.382 3.480 20 10 CGCDMO CCCC[N@@H+](Cc1cocn1)Cc1ccccc1O ZINC000282966725 380018897 /nfs/dbraw/zinc/01/88/97/380018897.db2.gz IIXWLMJVGIMIIE-UHFFFAOYSA-N 1 1 260.337 3.183 20 10 CGCDMO CC[C@H]([NH2+]CCc1cccnc1)c1ccc(F)cc1O ZINC000285478485 380147389 /nfs/dbraw/zinc/14/73/89/380147389.db2.gz BIVYKWSPPHLDEA-HNNXBMFYSA-N 1 1 274.339 3.210 20 10 CGCDMO CC[C@H]([NH2+]C1CCSCC1)c1ccc(F)cc1O ZINC000286334179 380197028 /nfs/dbraw/zinc/19/70/28/380197028.db2.gz XZWMPZMECNFMRC-ZDUSSCGKSA-N 1 1 269.385 3.468 20 10 CGCDMO CC[C@H]([NH2+]CCc1ccncc1)c1ccc(F)cc1O ZINC000285904229 380152864 /nfs/dbraw/zinc/15/28/64/380152864.db2.gz CVXYAFDIASCYGR-HNNXBMFYSA-N 1 1 274.339 3.210 20 10 CGCDMO CC[C@@H]([NH2+][C@H]1CCSC1)c1ccc(F)cc1O ZINC000286045093 380159134 /nfs/dbraw/zinc/15/91/34/380159134.db2.gz JYYRYGCHYAAPEB-CMPLNLGQSA-N 1 1 255.358 3.078 20 10 CGCDMO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccc(F)cc1O ZINC000363845759 382258656 /nfs/dbraw/zinc/25/86/56/382258656.db2.gz BEOVZYYRPAGTCM-SQWYCQTGSA-N 1 1 293.382 3.386 20 10 CGCDMO Oc1c(F)cccc1C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000367350932 382344948 /nfs/dbraw/zinc/34/49/48/382344948.db2.gz ZCCJCXXRFHKZMK-CQSZACIVSA-N 1 1 287.334 3.015 20 10 CGCDMO CC[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(C)cc1O ZINC000368101818 382365533 /nfs/dbraw/zinc/36/55/33/382365533.db2.gz LQOPYDXADKEGER-TZMCWYRMSA-N 1 1 285.391 3.022 20 10 CGCDMO Cc1cnc(CC[N@H+](C)Cc2cc(C)ccc2O)s1 ZINC000093807347 392238637 /nfs/dbraw/zinc/23/86/37/392238637.db2.gz HDIHZGLRUGWHMS-UHFFFAOYSA-N 1 1 276.405 3.140 20 10 CGCDMO CCC(CC)[N@@H+](CCOC)Cc1cc(OC)ccc1O ZINC000133488933 392462877 /nfs/dbraw/zinc/46/28/77/392462877.db2.gz QTRCCSOZUKWLHT-UHFFFAOYSA-N 1 1 281.396 3.038 20 10 CGCDMO Oc1c(F)cccc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000160245200 392581793 /nfs/dbraw/zinc/58/17/93/392581793.db2.gz VFSZPTYJAGASSR-UHFFFAOYSA-N 1 1 277.261 3.306 20 10 CGCDMO CC(C)[N@H+](C)CCCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000221913549 393008687 /nfs/dbraw/zinc/00/86/87/393008687.db2.gz QTMWHPDOBKXVQK-HNNXBMFYSA-N 1 1 277.456 3.134 20 10 CGCDMO CC(C)[N@@H+](C)CCCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000221913549 393008699 /nfs/dbraw/zinc/00/86/99/393008699.db2.gz QTMWHPDOBKXVQK-HNNXBMFYSA-N 1 1 277.456 3.134 20 10 CGCDMO Cc1ccc(O)c([C@H](C)[NH2+]CCCN2CCCCC2)c1 ZINC000035628826 172308215 /nfs/dbraw/zinc/30/82/15/172308215.db2.gz LJGCMFMRIVYVIM-HNNXBMFYSA-N 1 1 276.424 3.227 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000272540570 263006239 /nfs/dbraw/zinc/00/62/39/263006239.db2.gz PAOFQTUCKLYDLT-OAHLLOKOSA-N 1 1 283.371 3.293 20 10 CGCDMO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC000368141841 267148403 /nfs/dbraw/zinc/14/84/03/267148403.db2.gz HAOAXZBIOIWCFP-MEBBXXQBSA-N 1 1 273.307 3.143 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000368739004 267200661 /nfs/dbraw/zinc/20/06/61/267200661.db2.gz FPAIVUOXVJYDBO-INIZCTEOSA-N 1 1 275.392 3.092 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)cc1C ZINC000369684633 267259845 /nfs/dbraw/zinc/25/98/45/267259845.db2.gz WJRCKYITVLAUEY-OAHLLOKOSA-N 1 1 299.418 3.122 20 10 CGCDMO CC(=O)c1cc(F)cc(C[NH+]2CCC3(CC3)CC2)c1O ZINC000376800497 268019374 /nfs/dbraw/zinc/01/93/74/268019374.db2.gz ZUBFUNCIFXCWAV-UHFFFAOYSA-N 1 1 277.339 3.110 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@@H]2c2ccncc2)c1O ZINC000289979760 295297275 /nfs/dbraw/zinc/29/72/75/295297275.db2.gz ZQSOOWJHZILSHD-OAHLLOKOSA-N 1 1 284.359 3.133 20 10 CGCDMO COCC[N@@H+](Cc1ccccc1)Cc1cccc(F)c1[O-] ZINC000272286198 328199732 /nfs/dbraw/zinc/19/97/32/328199732.db2.gz NMTYRFTUNLPDLB-UHFFFAOYSA-N 1 1 289.350 3.180 20 10 CGCDMO COCC[N@@H+](Cc1ccccc1)Cc1cccc(F)c1O ZINC000272286198 328199734 /nfs/dbraw/zinc/19/97/34/328199734.db2.gz NMTYRFTUNLPDLB-UHFFFAOYSA-N 1 1 289.350 3.180 20 10 CGCDMO CCCO[C@@H]1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000179573282 329209801 /nfs/dbraw/zinc/20/98/01/329209801.db2.gz AJDDYCPTWPINJL-OAHLLOKOSA-N 1 1 263.381 3.173 20 10 CGCDMO CC1(C)[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)[C@H]2CCO[C@H]21 ZINC000293754464 328277590 /nfs/dbraw/zinc/27/75/90/328277590.db2.gz YLRRDJNUUHWMHT-OWYVNGRQSA-N 1 1 299.773 3.088 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCOC[C@@H]2c2ccccc2)c1 ZINC000378342677 329046675 /nfs/dbraw/zinc/04/66/75/329046675.db2.gz PZENLGCCXICGSS-QGZVFWFLSA-N 1 1 283.371 3.274 20 10 CGCDMO COCCC1CC[NH+]([C@@H](C)c2ccc(F)cc2O)CC1 ZINC000527933936 330297814 /nfs/dbraw/zinc/29/78/14/330297814.db2.gz JKSMMNKBNDIYRW-LBPRGKRZSA-N 1 1 281.371 3.341 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2nccs2)cc1 ZINC000128140705 520284234 /nfs/dbraw/zinc/28/42/34/520284234.db2.gz JFYWCHJIICANCX-GFCCVEGCSA-N 1 1 275.421 3.450 20 10 CGCDMO CCO[C@H](C[NH2+]Cc1cccc(F)c1O)c1ccccc1 ZINC000278607509 520520880 /nfs/dbraw/zinc/52/08/80/520520880.db2.gz GFZONXYTUKFKHS-MRXNPFEDSA-N 1 1 289.350 3.399 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1 ZINC000292884120 521148005 /nfs/dbraw/zinc/14/80/05/521148005.db2.gz YBMFJVFPUAQRST-CABCVRRESA-N 1 1 297.345 3.268 20 10 CGCDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H](C)C(C)C ZINC000278272280 521330654 /nfs/dbraw/zinc/33/06/54/521330654.db2.gz RVCBHTWBDWRIIR-NSHDSACASA-N 1 1 296.367 3.175 20 10 CGCDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H](C)C(C)C ZINC000278272280 521330658 /nfs/dbraw/zinc/33/06/58/521330658.db2.gz RVCBHTWBDWRIIR-NSHDSACASA-N 1 1 296.367 3.175 20 10 CGCDMO CC[N@H+](Cc1cccc(F)c1O)[C@@H]1CCOC(C)(C)C1 ZINC000291604759 521350456 /nfs/dbraw/zinc/35/04/56/521350456.db2.gz QQSZGYOKKIGXQT-CYBMUJFWSA-N 1 1 281.371 3.311 20 10 CGCDMO CC[N@@H+](Cc1cccc(F)c1O)[C@@H]1CCOC(C)(C)C1 ZINC000291604759 521350462 /nfs/dbraw/zinc/35/04/62/521350462.db2.gz QQSZGYOKKIGXQT-CYBMUJFWSA-N 1 1 281.371 3.311 20 10 CGCDMO Cc1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)ncn1 ZINC000292204684 524670061 /nfs/dbraw/zinc/67/00/61/524670061.db2.gz PAZOVFGVHUWJFV-UHFFFAOYSA-N 1 1 296.418 3.016 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC23CCOCC3)c1O ZINC000365820432 524861880 /nfs/dbraw/zinc/86/18/80/524861880.db2.gz XMZXKAJJEFSGHE-UHFFFAOYSA-N 1 1 281.783 3.109 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1C ZINC000291848017 525317793 /nfs/dbraw/zinc/31/77/93/525317793.db2.gz HKQCBVXPQVGMPX-CABCVRRESA-N 1 1 281.346 3.486 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000289851590 525343409 /nfs/dbraw/zinc/34/34/09/525343409.db2.gz QAOKELXIYVFSFB-INIZCTEOSA-N 1 1 268.360 3.433 20 10 CGCDMO C[C@@H]([NH2+]C[C@H](C)N(C)C)c1cc(Cl)c(Cl)cc1O ZINC000278890102 525490079 /nfs/dbraw/zinc/49/00/79/525490079.db2.gz YNUAZTZYCJHXFL-DTWKUNHWSA-N 1 1 291.222 3.300 20 10 CGCDMO CC(C)[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)CCS1 ZINC000743395712 572656910 /nfs/dbraw/zinc/65/69/10/572656910.db2.gz LFFWVDMZUGARPD-QGZVFWFLSA-N 1 1 291.460 3.454 20 10 CGCDMO CC[N@H+](Cc1ncc(C)o1)Cc1ccc(N(C)C)cc1 ZINC000743840174 572686756 /nfs/dbraw/zinc/68/67/56/572686756.db2.gz ZUSGOXXZJOMKPC-UHFFFAOYSA-N 1 1 273.380 3.071 20 10 CGCDMO CC[N@@H+](Cc1ncc(C)o1)Cc1ccc(N(C)C)cc1 ZINC000743840174 572686757 /nfs/dbraw/zinc/68/67/57/572686757.db2.gz ZUSGOXXZJOMKPC-UHFFFAOYSA-N 1 1 273.380 3.071 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1C ZINC000747831409 572950576 /nfs/dbraw/zinc/95/05/76/572950576.db2.gz MJXJZVIIQHWSHQ-HOTGVXAUSA-N 1 1 289.419 3.258 20 10 CGCDMO Cc1cnc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000750282917 573107804 /nfs/dbraw/zinc/10/78/04/573107804.db2.gz APHBWBKRJAWZGH-UHFFFAOYSA-N 1 1 298.434 3.262 20 10 CGCDMO CCC[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160393856 618036274 /nfs/dbraw/zinc/03/62/74/618036274.db2.gz LFAVTYNJVJWBAR-ZDUSSCGKSA-N 1 1 293.407 3.422 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)Cc2ccccc2F)c1 ZINC000160730532 618137175 /nfs/dbraw/zinc/13/71/75/618137175.db2.gz PTDWYIHYRSPRKL-UHFFFAOYSA-N 1 1 259.324 3.472 20 10 CGCDMO C[C@H]([NH2+]CCc1cn2ccccc2n1)c1ccc(F)cc1O ZINC000184969500 625284808 /nfs/dbraw/zinc/28/48/08/625284808.db2.gz KFWVTRSKRZNXAE-LBPRGKRZSA-N 1 1 299.349 3.072 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)c1O ZINC000161842365 618722933 /nfs/dbraw/zinc/72/29/33/618722933.db2.gz VMMWPODUQLXCPK-QWRGUYRKSA-N 1 1 279.355 3.212 20 10 CGCDMO CC[C@@H](C)C[N@@H+](C)Cc1cc(OC)c(C)cc1O ZINC000179442742 618784450 /nfs/dbraw/zinc/78/44/50/618784450.db2.gz OOYTWIRFWUMYRB-LLVKDONJSA-N 1 1 251.370 3.187 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1cc(Cl)c(Cl)cc1O ZINC000193003985 618791754 /nfs/dbraw/zinc/79/17/54/618791754.db2.gz YQFCVUYPKHCJLI-MKCWBWRRSA-N 1 1 290.190 3.263 20 10 CGCDMO COc1ccc(CCC[N@@H+](C)Cc2ccccc2O)cc1 ZINC000179561980 618795134 /nfs/dbraw/zinc/79/51/34/618795134.db2.gz VOXRRVVTAJJYIJ-UHFFFAOYSA-N 1 1 285.387 3.465 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCS[C@H]1C)c1ccc(F)cc1O ZINC000310544423 618799469 /nfs/dbraw/zinc/79/94/69/618799469.db2.gz DFBJOXPBWULMLD-AUTRQRHGSA-N 1 1 255.358 3.076 20 10 CGCDMO COc1ccc(O)c(C[N@@H+]2Cc3ccccc3O[C@H](C)C2)c1 ZINC000014990069 619110325 /nfs/dbraw/zinc/11/03/25/619110325.db2.gz FPTFKTUYCUYPPG-CYBMUJFWSA-N 1 1 299.370 3.184 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](CCO)Cc1ccccc1 ZINC000840907460 619113426 /nfs/dbraw/zinc/11/34/26/619113426.db2.gz FCVDUQOULHRGRY-UHFFFAOYSA-N 1 1 298.430 3.056 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1O)[C@@H]1CCCO1 ZINC000248521367 619182825 /nfs/dbraw/zinc/18/28/25/619182825.db2.gz RNENWFHOEHYREA-DGFSRKRXSA-N 1 1 267.344 3.140 20 10 CGCDMO CCCC[N@@H+](CCOC)Cc1cc(OCC)ccc1O ZINC000093323080 619184139 /nfs/dbraw/zinc/18/41/39/619184139.db2.gz QPLOGARUSOOTHM-UHFFFAOYSA-N 1 1 281.396 3.039 20 10 CGCDMO COc1cccc(C[N@H+]2C[C@@H](C)CCC[C@@H]2C)c1O ZINC000093509256 619202411 /nfs/dbraw/zinc/20/24/11/619202411.db2.gz POTODADVWBDOCS-STQMWFEESA-N 1 1 263.381 3.411 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)c1O ZINC000184683572 619220097 /nfs/dbraw/zinc/22/00/97/619220097.db2.gz SSVROCNIMBFCPL-SNVBAGLBSA-N 1 1 299.798 3.054 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)c1O ZINC000184683572 619220100 /nfs/dbraw/zinc/22/01/00/619220100.db2.gz SSVROCNIMBFCPL-SNVBAGLBSA-N 1 1 299.798 3.054 20 10 CGCDMO Cc1ncc(C[N@H+](C)Cc2cc(F)cc(F)c2[O-])s1 ZINC000893966114 619341517 /nfs/dbraw/zinc/34/15/17/619341517.db2.gz HFBKPJNKLHCDPB-UHFFFAOYSA-N 1 1 284.331 3.067 20 10 CGCDMO COCC[N@@H+](Cc1ccccc1O)[C@H]1CC[C@H](C)C1 ZINC000792192488 619609134 /nfs/dbraw/zinc/60/91/34/619609134.db2.gz KZJGFQWIOWRBLE-ZFWWWQNUSA-N 1 1 263.381 3.029 20 10 CGCDMO CCCOc1ccc(C[NH2+][C@@H](C)c2nnc(C)[nH]2)cc1C ZINC000894776950 619630080 /nfs/dbraw/zinc/63/00/80/619630080.db2.gz GKYDEBLHRTZYJN-LBPRGKRZSA-N 1 1 288.395 3.061 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1 ZINC000793231093 619709228 /nfs/dbraw/zinc/70/92/28/619709228.db2.gz KSQCIWOKXCKOEH-SKDRFNHKSA-N 1 1 289.297 3.174 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC12CCCC2 ZINC000895133756 619746997 /nfs/dbraw/zinc/74/69/97/619746997.db2.gz OQVBZHQXZKMOMH-UHFFFAOYSA-N 1 1 253.292 3.189 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC12CCCC2 ZINC000895133756 619747000 /nfs/dbraw/zinc/74/70/00/619747000.db2.gz OQVBZHQXZKMOMH-UHFFFAOYSA-N 1 1 253.292 3.189 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895844429 619892774 /nfs/dbraw/zinc/89/27/74/619892774.db2.gz FOTGYTBAMMZKMT-MEBBXXQBSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895844429 619892775 /nfs/dbraw/zinc/89/27/75/619892775.db2.gz FOTGYTBAMMZKMT-MEBBXXQBSA-N 1 1 299.773 3.186 20 10 CGCDMO Cc1ccc(C[N@H+]2CCS[C@@H](C(F)(F)F)C2)c(O)c1 ZINC000896454199 620009490 /nfs/dbraw/zinc/00/94/90/620009490.db2.gz VASBNKAPXZSRMN-GFCCVEGCSA-N 1 1 291.338 3.180 20 10 CGCDMO CCCCOC(=O)[C@H](C)[N@@H+](CCC)Cc1ccccc1O ZINC000303956516 620196140 /nfs/dbraw/zinc/19/61/40/620196140.db2.gz XOCFQVDPEOFXLP-AWEZNQCLSA-N 1 1 293.407 3.336 20 10 CGCDMO Oc1cc2c(cc1CNc1ccc(C3CC3)c[nH+]1)OCO2 ZINC000897712410 620422054 /nfs/dbraw/zinc/42/20/54/620422054.db2.gz OLXQCHFFMVXEBF-UHFFFAOYSA-N 1 1 284.315 3.005 20 10 CGCDMO Cc1cccc(C[NH2+]Cc2nc(C(C)(C)C)co2)c1O ZINC000897945097 620453519 /nfs/dbraw/zinc/45/35/19/620453519.db2.gz ZBTUFUTXGOIBLB-UHFFFAOYSA-N 1 1 274.364 3.276 20 10 CGCDMO CC(C)C[C@H](C[NH3+])[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841037659 620474737 /nfs/dbraw/zinc/47/47/37/620474737.db2.gz CQDGDYTYZHHCEO-LLVKDONJSA-N 1 1 291.222 3.162 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH2+]C/C=C/Cl)c1 ZINC000898433063 620587180 /nfs/dbraw/zinc/58/71/80/620587180.db2.gz KVDJPDNVSAIHAC-NSCUHMNNSA-N 1 1 290.588 3.305 20 10 CGCDMO NC1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000902404316 621308086 /nfs/dbraw/zinc/30/80/86/621308086.db2.gz DOLCGLPVLDPHKS-QGZVFWFLSA-N 1 1 296.414 3.147 20 10 CGCDMO Oc1cccc(Cl)c1CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960082 621837528 /nfs/dbraw/zinc/83/75/28/621837528.db2.gz WPSWSYHEOFBXSX-MRXNPFEDSA-N 1 1 294.826 3.011 20 10 CGCDMO COc1cc(C)cc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c1O ZINC000164415977 622834402 /nfs/dbraw/zinc/83/44/02/622834402.db2.gz YRQKAXMUMACRCN-TXEJJXNPSA-N 1 1 281.421 3.035 20 10 CGCDMO CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2O)C1 ZINC000230664441 623262428 /nfs/dbraw/zinc/26/24/28/623262428.db2.gz VZXWLUPHWUHEAU-MVWJERBFSA-N 1 1 269.385 3.466 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000245911376 623881397 /nfs/dbraw/zinc/88/13/97/623881397.db2.gz FXAKSAAZWQIZCU-HIFRSBDPSA-N 1 1 281.396 3.391 20 10 CGCDMO CC[N@@H+](CCOC)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000921046550 624565613 /nfs/dbraw/zinc/56/56/13/624565613.db2.gz LYGWNSIMMXVXIH-UHFFFAOYSA-N 1 1 279.424 3.466 20 10 CGCDMO C[N@H+](Cc1cc(F)ccc1O)Cc1ccccc1F ZINC000179883839 624694934 /nfs/dbraw/zinc/69/49/34/624694934.db2.gz DUFDUHANRGXGIM-UHFFFAOYSA-N 1 1 263.287 3.302 20 10 CGCDMO CS[C@H]1CCCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000180763279 624771132 /nfs/dbraw/zinc/77/11/32/624771132.db2.gz ATNAWHLRBGGSLB-AWEZNQCLSA-N 1 1 265.422 3.418 20 10 CGCDMO C[N@@H+](CCC(=O)c1ccccc1)Cc1ccccc1O ZINC000182652080 625024043 /nfs/dbraw/zinc/02/40/43/625024043.db2.gz QZKZOPIOPGBCNX-UHFFFAOYSA-N 1 1 269.344 3.097 20 10 CGCDMO C[N@@H+](CCOc1ccccc1)Cc1cc(F)ccc1O ZINC000183244569 625057281 /nfs/dbraw/zinc/05/72/81/625057281.db2.gz HVTIFGGJGGXCNC-UHFFFAOYSA-N 1 1 275.323 3.042 20 10 CGCDMO CC[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000184679634 625261851 /nfs/dbraw/zinc/26/18/51/625261851.db2.gz LZMYKGJRWSMYQR-SECBINFHSA-N 1 1 257.761 3.285 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](CCC2(O)CCC2)C2CC2)cc1 ZINC000839467329 626354518 /nfs/dbraw/zinc/35/45/18/626354518.db2.gz DCHDFVKSITUGAG-UHFFFAOYSA-N 1 1 288.435 3.022 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000751945359 626412716 /nfs/dbraw/zinc/41/27/16/626412716.db2.gz MJNRMGWSVSHYNP-AWEZNQCLSA-N 1 1 277.408 3.219 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000754738796 626585829 /nfs/dbraw/zinc/58/58/29/626585829.db2.gz GCSXQBKDJJTFPO-ZBFHGGJFSA-N 1 1 275.392 3.010 20 10 CGCDMO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000756454840 626706775 /nfs/dbraw/zinc/70/67/75/626706775.db2.gz ONRWXHXGFLLYDZ-SRVKXCTJSA-N 1 1 279.380 3.264 20 10 CGCDMO CO[C@]1(C)C[C@H]([NH2+][C@H](C)c2ccc(F)cc2O)C1(C)C ZINC000756628777 626721844 /nfs/dbraw/zinc/72/18/44/626721844.db2.gz XMVXXVZTDBLESK-FUEDEBDSSA-N 1 1 281.371 3.386 20 10 CGCDMO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000756651814 626724599 /nfs/dbraw/zinc/72/45/99/626724599.db2.gz YKVXOQJPSIHTDE-LALPHHSUSA-N 1 1 291.391 3.408 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)C2CCC2)c1 ZINC000756769804 626730607 /nfs/dbraw/zinc/73/06/07/626730607.db2.gz NRUZVUWJIBRUNM-MNOVXSKESA-N 1 1 277.364 3.018 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC(C)(C)C2)c1 ZINC000756778925 626731416 /nfs/dbraw/zinc/73/14/16/626731416.db2.gz GRAKZABBUSZUKJ-WCQYABFASA-N 1 1 291.391 3.408 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+](C)Cc2ccno2)cc1 ZINC000759643260 626911575 /nfs/dbraw/zinc/91/15/75/626911575.db2.gz LTWUCEFXGJJFMJ-UHFFFAOYSA-N 1 1 273.380 3.153 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccno2)cc1 ZINC000759643260 626911580 /nfs/dbraw/zinc/91/15/80/626911580.db2.gz LTWUCEFXGJJFMJ-UHFFFAOYSA-N 1 1 273.380 3.153 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C[C@H]1C ZINC000766375144 627324101 /nfs/dbraw/zinc/32/41/01/627324101.db2.gz RMJZWWZWNZJPLE-CHWSQXEVSA-N 1 1 270.376 3.418 20 10 CGCDMO CSC[C@H]1CCC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000767774702 627436571 /nfs/dbraw/zinc/43/65/71/627436571.db2.gz KUTWUZLXKZEWBC-CYBMUJFWSA-N 1 1 288.416 3.268 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000768175911 627465843 /nfs/dbraw/zinc/46/58/43/627465843.db2.gz XQCYQFKWQSFVMY-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@H](c3ccco3)C2)c(O)cc1C ZINC000768448666 627480855 /nfs/dbraw/zinc/48/08/55/627480855.db2.gz VDIYPXBJKUYZOT-ZDUSSCGKSA-N 1 1 287.359 3.292 20 10 CGCDMO CC[C@]1(C)CC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000768463712 627481421 /nfs/dbraw/zinc/48/14/21/627481421.db2.gz LNNNEWXQKWULEU-MRXNPFEDSA-N 1 1 279.380 3.031 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](CC)C2)c1 ZINC000768846327 627503583 /nfs/dbraw/zinc/50/35/83/627503583.db2.gz MHYJWFXLUXIFOS-CYBMUJFWSA-N 1 1 263.381 3.413 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000769445588 627552897 /nfs/dbraw/zinc/55/28/97/627552897.db2.gz HFSQLGLUJWBPHP-QGZVFWFLSA-N 1 1 283.371 3.280 20 10 CGCDMO C[N@H+](Cc1ccc[nH]1)Cc1cccc(Br)c1O ZINC000769541593 627564708 /nfs/dbraw/zinc/56/47/08/627564708.db2.gz DOORZBQEIBHRSB-UHFFFAOYSA-N 1 1 295.180 3.115 20 10 CGCDMO C[N@@H+](Cc1ccc[nH]1)Cc1cccc(Br)c1O ZINC000769541593 627564712 /nfs/dbraw/zinc/56/47/12/627564712.db2.gz DOORZBQEIBHRSB-UHFFFAOYSA-N 1 1 295.180 3.115 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)[C@H]1C[C@](C)(OC)C1(C)C ZINC000769548618 627564918 /nfs/dbraw/zinc/56/49/18/627564918.db2.gz IZCGTDMFPLHALJ-RDJZCZTQSA-N 1 1 293.407 3.036 20 10 CGCDMO CC(C)CO[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000770329805 627613867 /nfs/dbraw/zinc/61/38/67/627613867.db2.gz SNWDPKNHFKBOLP-HNNXBMFYSA-N 1 1 294.414 3.139 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@H]1O ZINC000770381245 627616132 /nfs/dbraw/zinc/61/61/32/627616132.db2.gz ORGSIGGZKGJXDE-AUUYWEPGSA-N 1 1 297.398 3.262 20 10 CGCDMO Cc1ncc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000771792223 627731696 /nfs/dbraw/zinc/73/16/96/627731696.db2.gz XVXCOBOSTFXJEJ-UHFFFAOYSA-N 1 1 298.434 3.262 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)Cc1ccccc1 ZINC000771928039 627745965 /nfs/dbraw/zinc/74/59/65/627745965.db2.gz LKJSFYGAMALYCR-UHFFFAOYSA-N 1 1 257.333 3.033 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000773756972 627911058 /nfs/dbraw/zinc/91/10/58/627911058.db2.gz XYFBWJHFDJQQLW-CRAIPNDOSA-N 1 1 289.467 3.057 20 10 CGCDMO COc1c(O)c(C[N@H+](C)[C@@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000774842475 628036595 /nfs/dbraw/zinc/03/65/95/628036595.db2.gz WIFPWMHPZHPYTH-JTQLQIEISA-N 1 1 296.367 3.175 20 10 CGCDMO COc1c(O)c(C[N@@H+](C)[C@@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000774842475 628036597 /nfs/dbraw/zinc/03/65/97/628036597.db2.gz WIFPWMHPZHPYTH-JTQLQIEISA-N 1 1 296.367 3.175 20 10 CGCDMO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccccc1O ZINC000775203285 628071769 /nfs/dbraw/zinc/07/17/69/628071769.db2.gz DWBXUKFWEKGJGP-UHFFFAOYSA-N 1 1 273.380 3.045 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)Cc2ccsc2)cc1OC ZINC000775644152 628118372 /nfs/dbraw/zinc/11/83/72/628118372.db2.gz DLZOMKSTENKJDP-UHFFFAOYSA-N 1 1 293.388 3.103 20 10 CGCDMO Cc1cccc(C[N@H+]2CCc3ccc(O)cc3CC2)c1O ZINC000775666179 628123027 /nfs/dbraw/zinc/12/30/27/628123027.db2.gz UFNAHCMUIJJWQS-UHFFFAOYSA-N 1 1 283.371 3.007 20 10 CGCDMO CCN1CC[C@H]([N@H+](C)Cc2cccc(C)c2O)C[C@@H]1C ZINC000775716390 628128347 /nfs/dbraw/zinc/12/83/47/628128347.db2.gz VREXBFHDFLBGED-HOCLYGCPSA-N 1 1 276.424 3.005 20 10 CGCDMO CCN1CC[C@H]([N@@H+](C)Cc2cccc(C)c2O)C[C@@H]1C ZINC000775716390 628128348 /nfs/dbraw/zinc/12/83/48/628128348.db2.gz VREXBFHDFLBGED-HOCLYGCPSA-N 1 1 276.424 3.005 20 10 CGCDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(C)c2O)C1(C)C ZINC000775715076 628128606 /nfs/dbraw/zinc/12/86/06/628128606.db2.gz BHFBLFNGKOUKOE-LSDHHAIUSA-N 1 1 277.408 3.336 20 10 CGCDMO CCOC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775734426 628130337 /nfs/dbraw/zinc/13/03/37/628130337.db2.gz OZLNVMVUQBVOTG-JTQLQIEISA-N 1 1 287.762 3.043 20 10 CGCDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2cccc(C)c2O)C1(C)C ZINC000775735541 628131613 /nfs/dbraw/zinc/13/16/13/628131613.db2.gz RPYRJWYKFIKPLZ-PBHICJAKSA-N 1 1 277.408 3.336 20 10 CGCDMO C[C@H]([NH2+]Cc1noc2c1CCCC2)c1ccc(N(C)C)cc1 ZINC000775835055 628141029 /nfs/dbraw/zinc/14/10/29/628141029.db2.gz DOIUPJUPIFJDKC-ZDUSSCGKSA-N 1 1 299.418 3.470 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000779000564 628382550 /nfs/dbraw/zinc/38/25/50/628382550.db2.gz WOYBMLDAQLPOGA-KKNUOHPOSA-N 1 1 257.377 3.403 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)cc1 ZINC000780892969 628522844 /nfs/dbraw/zinc/52/28/44/628522844.db2.gz SKETXDZULFNSIS-DOTOQJQBSA-N 1 1 290.451 3.126 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2ccoc2)c1 ZINC000781627213 628580826 /nfs/dbraw/zinc/58/08/26/628580826.db2.gz RKDDHUMWZZNVKP-UHFFFAOYSA-N 1 1 296.164 3.346 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)c1 ZINC000781929923 628606488 /nfs/dbraw/zinc/60/64/88/628606488.db2.gz TVXAPYKKSVXKHA-CXAGYDPISA-N 1 1 275.392 3.413 20 10 CGCDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)ccc1O ZINC000785988325 628906023 /nfs/dbraw/zinc/90/60/23/628906023.db2.gz LDHGCYRJTZTLAG-SUNKGSAMSA-N 1 1 283.799 3.027 20 10 CGCDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000788269386 629044087 /nfs/dbraw/zinc/04/40/87/629044087.db2.gz MACHPQVMLMQHJR-DYVFJYSZSA-N 1 1 283.371 3.014 20 10 CGCDMO Cc1ncc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)o1 ZINC000862221878 629325409 /nfs/dbraw/zinc/32/54/09/629325409.db2.gz JBGFTWCSZKFEEO-UHFFFAOYSA-N 1 1 287.407 3.460 20 10 CGCDMO C[C@H](C1CC1)[N@@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862224809 629326433 /nfs/dbraw/zinc/32/64/33/629326433.db2.gz LXJIUYNZEBHISL-SNVBAGLBSA-N 1 1 268.351 3.261 20 10 CGCDMO C[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792156423 629341483 /nfs/dbraw/zinc/34/14/83/629341483.db2.gz DPKNQGNCANXXOP-SECBINFHSA-N 1 1 257.736 3.417 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792156423 629341489 /nfs/dbraw/zinc/34/14/89/629341489.db2.gz DPKNQGNCANXXOP-SECBINFHSA-N 1 1 257.736 3.417 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)[C@@H]1C ZINC000792171098 629343584 /nfs/dbraw/zinc/34/35/84/629343584.db2.gz YCYTUOKUXQFPCZ-RKDXNWHRSA-N 1 1 257.736 3.415 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)[C@@H]1C ZINC000792171098 629343589 /nfs/dbraw/zinc/34/35/89/629343589.db2.gz YCYTUOKUXQFPCZ-RKDXNWHRSA-N 1 1 257.736 3.415 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H](C)C1(F)F ZINC000862442263 629373966 /nfs/dbraw/zinc/37/39/66/629373966.db2.gz HDPCKYWAGNTGRC-AOOOYVTPSA-N 1 1 273.298 3.254 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)C2CC2)c(C(F)(F)F)c1 ZINC000792788064 629382111 /nfs/dbraw/zinc/38/21/11/629382111.db2.gz VTIGEXKLSAIFMO-UHFFFAOYSA-N 1 1 272.314 3.366 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cc1C ZINC000793220084 629430452 /nfs/dbraw/zinc/43/04/52/629430452.db2.gz QYCTVXITHVSIOF-CXAGYDPISA-N 1 1 275.392 3.008 20 10 CGCDMO CCCc1nc(C)c(C[N@@H+](C)Cc2ccccc2O)o1 ZINC000794411776 629540924 /nfs/dbraw/zinc/54/09/24/629540924.db2.gz NJLYHQPSQIJSKR-UHFFFAOYSA-N 1 1 274.364 3.273 20 10 CGCDMO CCCCN(C)CC[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000796761207 629828578 /nfs/dbraw/zinc/82/85/78/629828578.db2.gz ORBPUHDGLXHZME-OAHLLOKOSA-N 1 1 282.403 3.304 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1C[C@@]3(CCCO3)[C@H]1C1CC1)CCC2 ZINC000840094693 630591084 /nfs/dbraw/zinc/59/10/84/630591084.db2.gz MOXCTPACBLZVAD-MOPGFXCFSA-N 1 1 299.414 3.024 20 10 CGCDMO C[C@]1(F)CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000840099394 630592473 /nfs/dbraw/zinc/59/24/73/630592473.db2.gz HJTCAPTYYSOXDP-INIZCTEOSA-N 1 1 263.356 3.205 20 10 CGCDMO CC1(C)CC[C@@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000808422099 630643238 /nfs/dbraw/zinc/64/32/38/630643238.db2.gz XOMJCWCVURVFSN-NSHDSACASA-N 1 1 257.736 3.463 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCCSC1 ZINC000808430535 630644206 /nfs/dbraw/zinc/64/42/06/630644206.db2.gz QSZRWTPVKJKCQR-VIFPVBQESA-N 1 1 289.803 3.418 20 10 CGCDMO CCCCN(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000808733222 630673237 /nfs/dbraw/zinc/67/32/37/630673237.db2.gz STDYZDNIGDMFJN-STQMWFEESA-N 1 1 282.403 3.302 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@H]2c2cccnc2)c1O ZINC000809728568 630792643 /nfs/dbraw/zinc/79/26/43/630792643.db2.gz BTJOPYGZJFWRRH-HNNXBMFYSA-N 1 1 284.359 3.133 20 10 CGCDMO CCCC[N@@H+](CCCO)Cc1cc(Cl)cc(C)c1O ZINC000809751149 630798695 /nfs/dbraw/zinc/79/86/95/630798695.db2.gz BSGQCVUYJZLNSY-UHFFFAOYSA-N 1 1 285.815 3.339 20 10 CGCDMO CCC[N@H+](CC)C[C@H](C)N[C@H](C)c1ccccc1O ZINC000810264215 630862704 /nfs/dbraw/zinc/86/27/04/630862704.db2.gz YRKOTEMBSKPCNS-UONOGXRCSA-N 1 1 264.413 3.163 20 10 CGCDMO CCC[N@@H+](CC)C[C@H](C)N[C@H](C)c1ccccc1O ZINC000810264215 630862708 /nfs/dbraw/zinc/86/27/08/630862708.db2.gz YRKOTEMBSKPCNS-UONOGXRCSA-N 1 1 264.413 3.163 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000811513324 631080553 /nfs/dbraw/zinc/08/05/53/631080553.db2.gz GEIHHTUFFKDAOL-MRXNPFEDSA-N 1 1 257.377 3.465 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC3(CCC3)[C@H]2C(C)C)c1 ZINC000814170842 631536596 /nfs/dbraw/zinc/53/65/96/631536596.db2.gz FCRBKFDPVGLTSL-MRXNPFEDSA-N 1 1 275.392 3.411 20 10 CGCDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815051474 631707481 /nfs/dbraw/zinc/70/74/81/631707481.db2.gz SPMPWKNEQPKREG-MRXNPFEDSA-N 1 1 276.424 3.062 20 10 CGCDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815052373 631708020 /nfs/dbraw/zinc/70/80/20/631708020.db2.gz MLDVEROOKBYEHW-QZTJIDSGSA-N 1 1 290.451 3.186 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@H](C(F)F)C2)ccc1N(C)C ZINC000815079800 631712795 /nfs/dbraw/zinc/71/27/95/631712795.db2.gz WOVZKCONHZNPHV-ZDUSSCGKSA-N 1 1 268.351 3.148 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000815104800 631717826 /nfs/dbraw/zinc/71/78/26/631717826.db2.gz VLDSPDWKFRIYAH-QGZVFWFLSA-N 1 1 284.407 3.203 20 10 CGCDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815105562 631717929 /nfs/dbraw/zinc/71/79/29/631717929.db2.gz GYUGJFDIXPJYNX-GOSISDBHSA-N 1 1 290.451 3.452 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)CCCO1 ZINC000815108143 631718850 /nfs/dbraw/zinc/71/88/50/631718850.db2.gz RMUVLENYBCPNBU-INIZCTEOSA-N 1 1 276.424 3.062 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000815113558 631720388 /nfs/dbraw/zinc/72/03/88/631720388.db2.gz GXIAKOBHXSLFRL-MSOLQXFVSA-N 1 1 288.435 3.286 20 10 CGCDMO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCN(C)C2)c(O)c1 ZINC000815578416 631798931 /nfs/dbraw/zinc/79/89/31/631798931.db2.gz NVMGPCKXRAMTQJ-CABCVRRESA-N 1 1 276.424 3.001 20 10 CGCDMO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815627846 631808931 /nfs/dbraw/zinc/80/89/31/631808931.db2.gz LDNLDKZTKWTVFZ-OPRDCNLKSA-N 1 1 291.313 3.485 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)[C@@H]1C ZINC000816519992 632003221 /nfs/dbraw/zinc/00/32/21/632003221.db2.gz CBKIAPARQRZDEF-RKDXNWHRSA-N 1 1 257.736 3.415 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)[C@@H]1C ZINC000816519992 632003229 /nfs/dbraw/zinc/00/32/29/632003229.db2.gz CBKIAPARQRZDEF-RKDXNWHRSA-N 1 1 257.736 3.415 20 10 CGCDMO CCC(CC)[C@@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816552028 632009297 /nfs/dbraw/zinc/00/92/97/632009297.db2.gz YVPGTCFAOSBARX-AWEZNQCLSA-N 1 1 289.778 3.071 20 10 CGCDMO CC(C)[C@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816564770 632013340 /nfs/dbraw/zinc/01/33/40/632013340.db2.gz PJTUHRGEYQFOAY-QGZVFWFLSA-N 1 1 285.387 3.402 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](CO)CC2)cc1 ZINC000816666641 632039998 /nfs/dbraw/zinc/03/99/98/632039998.db2.gz SIJOHNIWMXICJJ-KRWDZBQOSA-N 1 1 290.451 3.127 20 10 CGCDMO CC[C@@H]([NH2+]CCCC1(O)CCC1)c1ccc(F)cc1O ZINC000817585742 632191422 /nfs/dbraw/zinc/19/14/22/632191422.db2.gz HNLXZTGTGFZRTC-CQSZACIVSA-N 1 1 281.371 3.267 20 10 CGCDMO C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1ccc2c(c1)CCO2 ZINC000817902582 632233057 /nfs/dbraw/zinc/23/30/57/632233057.db2.gz UNHGCQGAFKBHOA-RHSMWYFYSA-N 1 1 288.435 3.022 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817942152 632240397 /nfs/dbraw/zinc/24/03/97/632240397.db2.gz XMEFISKATSTVIL-BDAKNGLRSA-N 1 1 289.206 3.102 20 10 CGCDMO CC[NH2+]CCCN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817943234 632242436 /nfs/dbraw/zinc/24/24/36/632242436.db2.gz LPSCUJNWXYTEIX-MRXNPFEDSA-N 1 1 289.467 3.327 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cc(Cl)ccc1[O-] ZINC000817960391 632256249 /nfs/dbraw/zinc/25/62/49/632256249.db2.gz MUCVREBNBRJFPP-COPLHBTASA-N 1 1 282.815 3.214 20 10 CGCDMO CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817962022 632257585 /nfs/dbraw/zinc/25/75/85/632257585.db2.gz GOMSFJBMGLBAIR-VIFPVBQESA-N 1 1 291.222 3.349 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000817969196 632262474 /nfs/dbraw/zinc/26/24/74/632262474.db2.gz RNNAAADUOZYDRU-OCCSQVGLSA-N 1 1 282.815 3.228 20 10 CGCDMO C[C@@H](N)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000817972693 632265911 /nfs/dbraw/zinc/26/59/11/632265911.db2.gz NUAMXZCJKIAEAL-RHSMWYFYSA-N 1 1 284.403 3.003 20 10 CGCDMO CCC[N@H+](Cc1nc(C(F)F)no1)Cc1ccccc1O ZINC000822653917 632998786 /nfs/dbraw/zinc/99/87/86/632998786.db2.gz GASLULMLUVIYOO-UHFFFAOYSA-N 1 1 297.305 3.125 20 10 CGCDMO CCC[N@@H+](Cc1nc(C(F)F)no1)Cc1ccccc1O ZINC000822653917 632998807 /nfs/dbraw/zinc/99/88/07/632998807.db2.gz GASLULMLUVIYOO-UHFFFAOYSA-N 1 1 297.305 3.125 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2C[C@@H](C)OCC23CCC3)cc1 ZINC000844420992 635896622 /nfs/dbraw/zinc/89/66/22/635896622.db2.gz FLYALFOPUDKVCP-OAHLLOKOSA-N 1 1 288.435 3.286 20 10 CGCDMO C[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1cc(F)ccc1O ZINC000866565828 633196533 /nfs/dbraw/zinc/19/65/33/633196533.db2.gz RWOLSHWNFLRUBI-QMMMGPOBSA-N 1 1 299.296 3.053 20 10 CGCDMO CC[C@H](C[C@H](C)O)[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000866633772 633222544 /nfs/dbraw/zinc/22/25/44/633222544.db2.gz LSXMDGQQZXFRKK-ZKYQVNSYSA-N 1 1 269.360 3.122 20 10 CGCDMO CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000866634676 633223257 /nfs/dbraw/zinc/22/32/57/633223257.db2.gz SQVLIAIMCPVRQW-HOSYDEDBSA-N 1 1 271.788 3.246 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC[C@](C)(F)C2)c(O)c1 ZINC000824472885 633248813 /nfs/dbraw/zinc/24/88/13/633248813.db2.gz ZZIVSNVRYXBPQN-HNNXBMFYSA-N 1 1 267.344 3.115 20 10 CGCDMO Cc1ccccc1CC[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000824554222 633258959 /nfs/dbraw/zinc/25/89/59/633258959.db2.gz CNKRAPQLMZLURL-UHFFFAOYSA-N 1 1 299.370 3.104 20 10 CGCDMO CC[N@H+](Cc1cc(Cl)c(C)cc1O)C[C@@H]1CCCO1 ZINC000824609991 633264546 /nfs/dbraw/zinc/26/45/46/633264546.db2.gz FTPPWESAEWVZPX-ZDUSSCGKSA-N 1 1 283.799 3.355 20 10 CGCDMO Cc1cccc(C[N@@H+]2CC(C)(C)[C@H]2c2nccn2C)c1O ZINC000824620466 633265002 /nfs/dbraw/zinc/26/50/02/633265002.db2.gz QDEHXDIYHYPFGQ-OAHLLOKOSA-N 1 1 285.391 3.017 20 10 CGCDMO Cc1cccc(C[N@H+]2CC(C)(C)[C@H]2c2nccn2C)c1O ZINC000824620466 633265005 /nfs/dbraw/zinc/26/50/05/633265005.db2.gz QDEHXDIYHYPFGQ-OAHLLOKOSA-N 1 1 285.391 3.017 20 10 CGCDMO Cc1cc(Br)cc(C[N@H+]2CC[C@H]2C2CC2)c1O ZINC000824650370 633268812 /nfs/dbraw/zinc/26/88/12/633268812.db2.gz MPZCDRGHYDSQFC-ZDUSSCGKSA-N 1 1 296.208 3.447 20 10 CGCDMO CS[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000824683486 633272222 /nfs/dbraw/zinc/27/22/22/633272222.db2.gz LNRYXJFEKVSSKG-CQSZACIVSA-N 1 1 273.401 3.483 20 10 CGCDMO Oc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824697110 633274440 /nfs/dbraw/zinc/27/44/40/633274440.db2.gz YXZIPUBZYPUESX-INMHGKMJSA-N 1 1 293.382 3.047 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCOCC23CCC3)cc1Cl ZINC000824828458 633297572 /nfs/dbraw/zinc/29/75/72/633297572.db2.gz BRUJVLCOAVQWMT-UHFFFAOYSA-N 1 1 281.783 3.109 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCOCC23CCC3)cc1Cl ZINC000824828458 633297575 /nfs/dbraw/zinc/29/75/75/633297575.db2.gz BRUJVLCOAVQWMT-UHFFFAOYSA-N 1 1 281.783 3.109 20 10 CGCDMO CCC[C@@H](C)[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876582533 634862735 /nfs/dbraw/zinc/86/27/35/634862735.db2.gz RELVKMJZWGMZII-OAHLLOKOSA-N 1 1 290.451 3.268 20 10 CGCDMO CO[C@@H]([C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000825098249 633327910 /nfs/dbraw/zinc/32/79/10/633327910.db2.gz DZZLFQAWEFWHJK-CLAHSXSESA-N 1 1 287.762 3.088 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]CCC2CC[NH+](C)CC2)cc1Cl ZINC000825247532 633339310 /nfs/dbraw/zinc/33/93/10/633339310.db2.gz UHNHHROEDWVIBT-UHFFFAOYSA-N 1 1 296.842 3.176 20 10 CGCDMO COC[C@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2O)CC1 ZINC000825321936 633345763 /nfs/dbraw/zinc/34/57/63/633345763.db2.gz RTTSWIPYVDXDCM-HNNXBMFYSA-N 1 1 277.408 3.258 20 10 CGCDMO CCc1nnc(C[NH2+]Cc2cc(Cl)c(C)cc2O)s1 ZINC000825955987 633392186 /nfs/dbraw/zinc/39/21/86/633392186.db2.gz VUJIMOZZXUKKKJ-UHFFFAOYSA-N 1 1 297.811 3.058 20 10 CGCDMO C[N@H+](Cc1ccc2ccccc2c1O)CC1=CCCOC1 ZINC000827189778 633469551 /nfs/dbraw/zinc/46/95/51/633469551.db2.gz NYMZYVDBLKZOIY-UHFFFAOYSA-N 1 1 283.371 3.324 20 10 CGCDMO CCC[NH+]1CCC(NCc2ccc(N(C)C)cc2C)CC1 ZINC000122651731 633474211 /nfs/dbraw/zinc/47/42/11/633474211.db2.gz QVZFYBCXDRATHG-UHFFFAOYSA-N 1 1 289.467 3.025 20 10 CGCDMO CCCN1CCC([NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000122651731 633474215 /nfs/dbraw/zinc/47/42/15/633474215.db2.gz QVZFYBCXDRATHG-UHFFFAOYSA-N 1 1 289.467 3.025 20 10 CGCDMO COc1ccc2c(c1)CC[N@@H+](Cc1cccc(F)c1O)C2 ZINC000827295998 633480002 /nfs/dbraw/zinc/48/00/02/633480002.db2.gz AILIGLQXNXGSKS-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO COc1ccc2c(c1)CC[N@H+](Cc1cccc(F)c1O)C2 ZINC000827295998 633480007 /nfs/dbraw/zinc/48/00/07/633480007.db2.gz AILIGLQXNXGSKS-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000827377136 633486479 /nfs/dbraw/zinc/48/64/79/633486479.db2.gz QIIRNKIGZBRFTL-WBVHZDCISA-N 1 1 275.392 3.173 20 10 CGCDMO Cc1cc(C[N@H+](CCO)C(C)C)ccc1N1CCCCC1 ZINC000827477056 633493112 /nfs/dbraw/zinc/49/31/12/633493112.db2.gz BAGUCLDNDVUXLQ-UHFFFAOYSA-N 1 1 290.451 3.188 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000827506243 633495506 /nfs/dbraw/zinc/49/55/06/633495506.db2.gz FKGIWYLDKGIQRW-IUCAKERBSA-N 1 1 255.720 3.027 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000827506243 633495507 /nfs/dbraw/zinc/49/55/07/633495507.db2.gz FKGIWYLDKGIQRW-IUCAKERBSA-N 1 1 255.720 3.027 20 10 CGCDMO CCc1cccc(C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)c1O ZINC000828013822 633548095 /nfs/dbraw/zinc/54/80/95/633548095.db2.gz LJQIXKWFNTWKAR-UHFFFAOYSA-N 1 1 299.418 3.262 20 10 CGCDMO CCN(C)c1ccc(CN(C)[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000832779088 634094440 /nfs/dbraw/zinc/09/44/40/634094440.db2.gz UIHVHUQDPXQDRN-SFHVURJKSA-N 1 1 289.467 3.057 20 10 CGCDMO CCN(C)c1ccc(C[N@H+](C)[C@H]2CCN(C(C)C)C2)cc1 ZINC000832779088 634094446 /nfs/dbraw/zinc/09/44/46/634094446.db2.gz UIHVHUQDPXQDRN-SFHVURJKSA-N 1 1 289.467 3.057 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)[C@H]2CCN(C(C)C)C2)cc1 ZINC000832779088 634094449 /nfs/dbraw/zinc/09/44/49/634094449.db2.gz UIHVHUQDPXQDRN-SFHVURJKSA-N 1 1 289.467 3.057 20 10 CGCDMO CN(C)CC[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(C)(C)C ZINC000834589875 634192757 /nfs/dbraw/zinc/19/27/57/634192757.db2.gz OVBIXLYQEZQJMT-GDBMZVCRSA-N 1 1 290.451 3.336 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)c1 ZINC000872723349 634196059 /nfs/dbraw/zinc/19/60/59/634196059.db2.gz XQNIPBNWRKJQGE-UKRRQHHQSA-N 1 1 277.433 3.194 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)Cc2cccn2C)cc1 ZINC000835026011 634324089 /nfs/dbraw/zinc/32/40/89/634324089.db2.gz NRFXPHVMAAOXEZ-FNORWQNLSA-N 1 1 283.419 3.236 20 10 CGCDMO CC[C@H](C)[N@H+](C)CCNC/C=C/c1ccc(N(C)C)cc1 ZINC000835035405 634326777 /nfs/dbraw/zinc/32/67/77/634326777.db2.gz CPEJJZNJUWQKFQ-WAVCKPEOSA-N 1 1 289.467 3.086 20 10 CGCDMO CC[C@H](C)[N@@H+](C)CCNC/C=C/c1ccc(N(C)C)cc1 ZINC000835035405 634326783 /nfs/dbraw/zinc/32/67/83/634326783.db2.gz CPEJJZNJUWQKFQ-WAVCKPEOSA-N 1 1 289.467 3.086 20 10 CGCDMO CC[C@@H](C)[N@H+](C)CCNC/C=C/c1ccc(N(C)C)cc1 ZINC000835035402 634327133 /nfs/dbraw/zinc/32/71/33/634327133.db2.gz CPEJJZNJUWQKFQ-KXPUMZMLSA-N 1 1 289.467 3.086 20 10 CGCDMO CC[C@@H](C)[N@@H+](C)CCNC/C=C/c1ccc(N(C)C)cc1 ZINC000835035402 634327136 /nfs/dbraw/zinc/32/71/36/634327136.db2.gz CPEJJZNJUWQKFQ-KXPUMZMLSA-N 1 1 289.467 3.086 20 10 CGCDMO COC[C@@]1(C)CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835053958 634338145 /nfs/dbraw/zinc/33/81/45/634338145.db2.gz GFJKGJXWXULCMR-QWNKOJSDSA-N 1 1 288.435 3.124 20 10 CGCDMO CC(C)C[C@@H](CO)[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835054504 634338399 /nfs/dbraw/zinc/33/83/99/634338399.db2.gz WEXKXUHQFJFKIG-DKFQHHCZSA-N 1 1 290.451 3.105 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@](C)(O)CC2)cc1 ZINC000835055034 634339245 /nfs/dbraw/zinc/33/92/45/634339245.db2.gz VDQJXPCYMMNGHU-MJICGBHWSA-N 1 1 288.435 3.003 20 10 CGCDMO C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000019913117 634376033 /nfs/dbraw/zinc/37/60/33/634376033.db2.gz OOFOEMYQSLJWMN-ZDUSSCGKSA-N 1 1 296.842 3.400 20 10 CGCDMO C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000019913117 634376045 /nfs/dbraw/zinc/37/60/45/634376045.db2.gz OOFOEMYQSLJWMN-ZDUSSCGKSA-N 1 1 296.842 3.400 20 10 CGCDMO CC[N@@H+](CCC(F)(F)F)Cc1ccc(C)cc1O ZINC000876658067 634876631 /nfs/dbraw/zinc/87/66/31/634876631.db2.gz XXACNWFCFGCEKM-UHFFFAOYSA-N 1 1 261.287 3.475 20 10 CGCDMO Cc1cccc(O)c1C[N@H+](C)[C@@H](CCO)c1ccccc1 ZINC000876739983 634889681 /nfs/dbraw/zinc/88/96/81/634889681.db2.gz LHGRHSIBOSDJDA-KRWDZBQOSA-N 1 1 285.387 3.256 20 10 CGCDMO CO[C@H](C)c1nc(C[NH2+]Cc2ccc(C)cc2O)cs1 ZINC000877074440 634973004 /nfs/dbraw/zinc/97/30/04/634973004.db2.gz KLMGXZQCWWFZNT-LLVKDONJSA-N 1 1 292.404 3.154 20 10 CGCDMO CC[N@H+](Cc1c(O)cc(C)cc1Cl)C[C@@H]1CCCO1 ZINC000840911585 635081842 /nfs/dbraw/zinc/08/18/42/635081842.db2.gz IOJABFITARABIY-LBPRGKRZSA-N 1 1 283.799 3.355 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c(Cl)c1 ZINC000840919353 635082476 /nfs/dbraw/zinc/08/24/76/635082476.db2.gz CSBIPMAQIZSZBI-DOMZBBRYSA-N 1 1 295.810 3.355 20 10 CGCDMO Cc1cc(N(C)C)ccc1CN[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000840935290 635085133 /nfs/dbraw/zinc/08/51/33/635085133.db2.gz KRUZGBBXQMGRFJ-SJORKVTESA-N 1 1 289.467 3.023 20 10 CGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840940779 635086689 /nfs/dbraw/zinc/08/66/89/635086689.db2.gz FKCLWTVXDFQXLO-HNNXBMFYSA-N 1 1 283.799 3.355 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000840940367 635087389 /nfs/dbraw/zinc/08/73/89/635087389.db2.gz ZISXSZVCQGPBNT-INIZCTEOSA-N 1 1 284.407 3.121 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C)[C@@H](C)C1 ZINC000840942448 635088103 /nfs/dbraw/zinc/08/81/03/635088103.db2.gz ODDVUBOSLLOQLD-WMLDXEAASA-N 1 1 276.424 3.060 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c(Cl)c1 ZINC000840943312 635088325 /nfs/dbraw/zinc/08/83/25/635088325.db2.gz LHDZKXHGKQNEAM-GDBMZVCRSA-N 1 1 295.810 3.497 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2c(O)cc(C)cc2Cl)C[C@H]1C ZINC000840949938 635091485 /nfs/dbraw/zinc/09/14/85/635091485.db2.gz DGWOXCISJHQZDJ-IAQYHMDHSA-N 1 1 283.799 3.211 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccccc2O)CCN1Cc1ccccc1 ZINC000840963795 635095313 /nfs/dbraw/zinc/09/53/13/635095313.db2.gz VTKAMZOJANSTQY-INIZCTEOSA-N 1 1 296.414 3.099 20 10 CGCDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000840969180 635096196 /nfs/dbraw/zinc/09/61/96/635096196.db2.gz CCQGLEBZDMHHFF-HNNXBMFYSA-N 1 1 288.435 3.144 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c(O)c1 ZINC000877633830 635124059 /nfs/dbraw/zinc/12/40/59/635124059.db2.gz RZBXVJUYQNJGAH-FUHWJXTLSA-N 1 1 289.419 3.482 20 10 CGCDMO COc1ccc(C)cc1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877704184 635155415 /nfs/dbraw/zinc/15/54/15/635155415.db2.gz ZMYBGFSDQXLMON-UHFFFAOYSA-N 1 1 269.344 3.225 20 10 CGCDMO C[C@H](Cc1cnccn1)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841748649 635223840 /nfs/dbraw/zinc/22/38/40/635223840.db2.gz XYIAAYIIDSGEBO-GHMZBOCLSA-N 1 1 291.782 3.117 20 10 CGCDMO C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841751181 635225213 /nfs/dbraw/zinc/22/52/13/635225213.db2.gz MEUPTKPFIRUBLD-MNOVXSKESA-N 1 1 285.815 3.493 20 10 CGCDMO C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(Cl)cc1O ZINC000841749030 635225432 /nfs/dbraw/zinc/22/54/32/635225432.db2.gz BFIDZRJNSALYPO-GVXVVHGQSA-N 1 1 283.799 3.247 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc(Cl)cc1O ZINC000841754883 635228702 /nfs/dbraw/zinc/22/87/02/635228702.db2.gz NHFYAXAGDPEZHM-COPLHBTASA-N 1 1 283.799 3.247 20 10 CGCDMO CCn1cncc1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841833215 635242563 /nfs/dbraw/zinc/24/25/63/635242563.db2.gz UMGQACAYMJVMOW-UHFFFAOYSA-N 1 1 298.434 3.134 20 10 CGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCO[C@H]1C ZINC000877977873 635301523 /nfs/dbraw/zinc/30/15/23/635301523.db2.gz XAFSPHLHHRARHI-RDJZCZTQSA-N 1 1 290.451 3.388 20 10 CGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCO[C@H]1C ZINC000877977871 635302351 /nfs/dbraw/zinc/30/23/51/635302351.db2.gz XAFSPHLHHRARHI-DOTOQJQBSA-N 1 1 290.451 3.388 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1C ZINC000842612575 635419336 /nfs/dbraw/zinc/41/93/36/635419336.db2.gz JVQIVKQHIDVVKM-RDJZCZTQSA-N 1 1 289.419 3.400 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1cccc2c1CCOC2 ZINC000878243036 635429436 /nfs/dbraw/zinc/42/94/36/635429436.db2.gz YNBOAVKXBABJJV-UHFFFAOYSA-N 1 1 283.371 3.097 20 10 CGCDMO COc1cccc(C[N@H+]2CCc3ccsc3C2)c1O ZINC000127073316 635474107 /nfs/dbraw/zinc/47/41/07/635474107.db2.gz UKMRYIPOEWDRKN-UHFFFAOYSA-N 1 1 275.373 3.021 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c1 ZINC000843416746 635663587 /nfs/dbraw/zinc/66/35/87/635663587.db2.gz VUGBZWWMYIIWFV-KRWDZBQOSA-N 1 1 283.371 3.354 20 10 CGCDMO C[C@@H]([NH2+]Cc1nc2c(o1)CCCC2)c1ccccc1O ZINC000879649708 635826304 /nfs/dbraw/zinc/82/63/04/635826304.db2.gz CUTJEMIXAQHBBM-LLVKDONJSA-N 1 1 272.348 3.110 20 10 CGCDMO C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000844922562 635985294 /nfs/dbraw/zinc/98/52/94/635985294.db2.gz ASCKLBRLAYPBCS-LLVKDONJSA-N 1 1 282.815 3.086 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](OC(C)C)C2)c1 ZINC000846016828 636129929 /nfs/dbraw/zinc/12/99/29/636129929.db2.gz XSMVSGUHNVOUGY-INIZCTEOSA-N 1 1 293.407 3.180 20 10 CGCDMO CCOc1ccc(C[N@H+]2C[C@H](CC)OC[C@@H]2CC)c(O)c1 ZINC000846027785 636132350 /nfs/dbraw/zinc/13/23/50/636132350.db2.gz QVAZJDVLORYSQQ-GJZGRUSLSA-N 1 1 293.407 3.180 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000846117886 636146787 /nfs/dbraw/zinc/14/67/87/636146787.db2.gz SCSZMHWHBUQZFN-CQSZACIVSA-N 1 1 283.318 3.022 20 10 CGCDMO Cc1ccc([C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)c(O)c1 ZINC000846178429 636153865 /nfs/dbraw/zinc/15/38/65/636153865.db2.gz VDMFILJFUMMZAY-HNNXBMFYSA-N 1 1 278.440 3.329 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CC3(CCC3)C2)c1 ZINC000846215157 636160462 /nfs/dbraw/zinc/16/04/62/636160462.db2.gz YVFZOXPJMQOQFS-NSHDSACASA-N 1 1 289.375 3.162 20 10 CGCDMO COc1cccc(CC[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000882893839 636450355 /nfs/dbraw/zinc/45/03/55/636450355.db2.gz DAFKTSBXFKOLHA-UHFFFAOYSA-N 1 1 293.313 3.011 20 10 CGCDMO CC1(C)C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C(C)(C)O1 ZINC000883084469 636535528 /nfs/dbraw/zinc/53/55/28/636535528.db2.gz SAQGRJDQGKFDKU-LBPRGKRZSA-N 1 1 285.334 3.106 20 10 CGCDMO C[C@@]1(C[NH2+]Cc2cc(F)cc(F)c2O)CC1(Cl)Cl ZINC000883134878 636552159 /nfs/dbraw/zinc/55/21/59/636552159.db2.gz MLGLNKHHJSMWDF-NSHDSACASA-N 1 1 296.144 3.344 20 10 CGCDMO CC(C)(C[NH2+]Cc1cc(F)cc(F)c1O)C1(O)CCCC1 ZINC000883139542 636552378 /nfs/dbraw/zinc/55/23/78/636552378.db2.gz PZQDAFJTKJIWKJ-UHFFFAOYSA-N 1 1 299.361 3.091 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(Cl)ccc1[O-] ZINC000848559489 636605733 /nfs/dbraw/zinc/60/57/33/636605733.db2.gz XKARFLJWZSUHMC-GMXVVIOVSA-N 1 1 282.815 3.036 20 10 CGCDMO CC[C@@H]([NH2+]CCc1ccns1)c1ccc(F)cc1O ZINC000883247546 636617115 /nfs/dbraw/zinc/61/71/15/636617115.db2.gz OJLUTFDULKPKAX-CYBMUJFWSA-N 1 1 280.368 3.271 20 10 CGCDMO CCc1cccc(C[N@@H+](C)[C@H](CO)c2ccccc2)c1O ZINC000848916323 636690228 /nfs/dbraw/zinc/69/02/28/636690228.db2.gz SSFHYLZFWKOOMY-QGZVFWFLSA-N 1 1 285.387 3.120 20 10 CGCDMO CCc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1O ZINC000848916102 636690337 /nfs/dbraw/zinc/69/03/37/636690337.db2.gz CQZAUMWCBWQLIB-ROUUACIJSA-N 1 1 297.398 3.263 20 10 CGCDMO C[C@@H]([NH2+]C1CCC2(COC2)CC1)c1ccc(F)cc1O ZINC000883381162 636723137 /nfs/dbraw/zinc/72/31/37/636723137.db2.gz HUFWDBAMSFYDSC-LLVKDONJSA-N 1 1 279.355 3.141 20 10 CGCDMO CC[C@@H](C)[N@@H+](C)Cc1cc(Br)ccc1O ZINC000132518018 636814723 /nfs/dbraw/zinc/81/47/23/636814723.db2.gz HRAKQKFOFWIOBO-SECBINFHSA-N 1 1 272.186 3.385 20 10 CGCDMO CC[N@@H+](Cc1cccc(Br)c1[O-])C(C)C ZINC000132567862 636820060 /nfs/dbraw/zinc/82/00/60/636820060.db2.gz RJLHELNWSFWRRM-UHFFFAOYSA-N 1 1 272.186 3.385 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000133698113 636970450 /nfs/dbraw/zinc/97/04/50/636970450.db2.gz TWYOLEAJCOTVOA-HNNXBMFYSA-N 1 1 283.371 3.390 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2C=CCC2)c1 ZINC000850359009 637027360 /nfs/dbraw/zinc/02/73/60/637027360.db2.gz RVVUGXOPPGRJEG-LLVKDONJSA-N 1 1 282.181 3.271 20 10 CGCDMO CC[C@@H](O)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000850528653 637106707 /nfs/dbraw/zinc/10/67/07/637106707.db2.gz JKRHUZUDONBZSI-JGVFFNPUSA-N 1 1 278.179 3.121 20 10 CGCDMO CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2c([O-])cccc2F)C1 ZINC000886522024 637550802 /nfs/dbraw/zinc/55/08/02/637550802.db2.gz AMSJGLUYZCADRC-KGLIPLIRSA-N 1 1 294.414 3.302 20 10 CGCDMO Cc1noc(C)c1CC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886524605 637552970 /nfs/dbraw/zinc/55/29/70/637552970.db2.gz NJKHMUBIGOBLSS-SNVBAGLBSA-N 1 1 278.327 3.029 20 10 CGCDMO C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1c(O)cccc1F ZINC000886528327 637555228 /nfs/dbraw/zinc/55/52/28/637555228.db2.gz KHUHJFPZHSUKOE-PXAZEXFGSA-N 1 1 289.350 3.090 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1c(O)cccc1F ZINC000886540874 637565757 /nfs/dbraw/zinc/56/57/57/637565757.db2.gz LZWMWTXRXSOZPT-MDHDOXDCSA-N 1 1 279.355 3.140 20 10 CGCDMO C[C@@H](C[NH2+][C@@H](C)c1c(O)cccc1F)c1nccs1 ZINC000886590380 637596820 /nfs/dbraw/zinc/59/68/20/637596820.db2.gz UIBUXPKHMLCREN-UWVGGRQHSA-N 1 1 280.368 3.442 20 10 CGCDMO C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1c(O)cccc1F ZINC000886602981 637600082 /nfs/dbraw/zinc/60/00/82/637600082.db2.gz DQKYRTQMPOIJLN-LBPRGKRZSA-N 1 1 293.382 3.125 20 10 CGCDMO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2c(O)cccc2F)C12CCC2 ZINC000886624801 637614182 /nfs/dbraw/zinc/61/41/82/637614182.db2.gz AEHRWDWKRFCQHG-ZLKJLUDKSA-N 1 1 279.355 3.140 20 10 CGCDMO C[C@@H](C[NH2+][C@@H](C)c1c(O)cccc1F)c1ccccn1 ZINC000886634383 637621137 /nfs/dbraw/zinc/62/11/37/637621137.db2.gz CORVPURZGKRLCH-RYUDHWBXSA-N 1 1 274.339 3.381 20 10 CGCDMO C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1c(O)cccc1F ZINC000886639578 637624456 /nfs/dbraw/zinc/62/44/56/637624456.db2.gz GLIMDKYBZNYQQA-RKDXNWHRSA-N 1 1 259.271 3.227 20 10 CGCDMO C[C@@H]([NH2+]CC[C@H]1CCSC1)c1c(O)cccc1F ZINC000886645108 637626413 /nfs/dbraw/zinc/62/64/13/637626413.db2.gz RJBGDYLZSYSOFP-MNOVXSKESA-N 1 1 269.385 3.325 20 10 CGCDMO C[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCOC1)c1c(O)cccc1F ZINC000886646327 637626530 /nfs/dbraw/zinc/62/65/30/637626530.db2.gz FVXAEIDRMBERFY-BNLOLNQZSA-N 1 1 293.382 3.387 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1c(O)cccc1F ZINC000886649590 637630423 /nfs/dbraw/zinc/63/04/23/637630423.db2.gz DRNMDCNONDBXLL-OXIQGZBJSA-N 1 1 279.355 3.140 20 10 CGCDMO CC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c1cc(Cl)ccc1[O-] ZINC000854230702 638028431 /nfs/dbraw/zinc/02/84/31/638028431.db2.gz XCUZGXJBDYYNSY-KGLIPLIRSA-N 1 1 284.831 3.460 20 10 CGCDMO CC[C@H]([NH2+]CCC(C)(C)[NH3+])c1cc(Cl)ccc1[O-] ZINC000925739306 638591748 /nfs/dbraw/zinc/59/17/48/638591748.db2.gz VENVNIYDMGGOCF-LBPRGKRZSA-N 1 1 270.804 3.214 20 10 CGCDMO C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1cccnc1 ZINC000858088135 638623578 /nfs/dbraw/zinc/62/35/78/638623578.db2.gz RNJWSBBLAVMISF-NSHDSACASA-N 1 1 291.345 3.277 20 10 CGCDMO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)c(O)c1C ZINC000858490085 638739294 /nfs/dbraw/zinc/73/92/94/638739294.db2.gz BAWFSWNVJQZOFA-HOTGVXAUSA-N 1 1 290.451 3.392 20 10 CGCDMO CC[C@H](C)[N@@H+](CC)Cc1ccc(N2CCOCC2)cc1 ZINC000930925304 639087404 /nfs/dbraw/zinc/08/74/04/639087404.db2.gz XKCCYOLULYGSND-HNNXBMFYSA-N 1 1 276.424 3.144 20 10 CGCDMO C[C@@H]1SCC[N@@H+](Cc2cc3c(cc2O)CCC3)[C@H]1C ZINC000118381781 639599467 /nfs/dbraw/zinc/59/94/67/639599467.db2.gz JYSJMPTVKGCDED-RYUDHWBXSA-N 1 1 277.433 3.207 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)Cc2ccccc2)cc1OC ZINC000159458516 640046870 /nfs/dbraw/zinc/04/68/70/640046870.db2.gz ILLJTPLCCFBOFO-UHFFFAOYSA-N 1 1 287.359 3.041 20 10 CGCDMO C[C@@H](NCC[N@@H+]1CCC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000246852848 640696394 /nfs/dbraw/zinc/69/63/94/640696394.db2.gz CQJVENBNDNTXBV-JKSUJKDBSA-N 1 1 289.467 3.135 20 10 CGCDMO C[C@@H](NCC[N@H+]1CCC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000246852848 640696396 /nfs/dbraw/zinc/69/63/96/640696396.db2.gz CQJVENBNDNTXBV-JKSUJKDBSA-N 1 1 289.467 3.135 20 10 CGCDMO C[N@@H+](Cc1cnc(C2CC2)s1)Cc1ccccc1O ZINC000091974648 640728549 /nfs/dbraw/zinc/72/85/49/640728549.db2.gz CRJWLUZAAQAKEQ-UHFFFAOYSA-N 1 1 274.389 3.358 20 10 CGCDMO COc1ccc2c(c1)C[N@H+](Cc1cc(C)ccc1O)CC2 ZINC000092507724 640739294 /nfs/dbraw/zinc/73/92/94/640739294.db2.gz UITOMSQTAPRLQI-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO CCc1nc(C[NH2+]Cc2c(O)cccc2Cl)cs1 ZINC000113339749 640976548 /nfs/dbraw/zinc/97/65/48/640976548.db2.gz DRHCSBALJJJUCZ-UHFFFAOYSA-N 1 1 282.796 3.354 20 10 CGCDMO CCCCC[C@H](O)C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001253536439 806239759 /nfs/dbraw/zinc/23/97/59/806239759.db2.gz HFHGSIWELRZDTK-KRWDZBQOSA-N 1 1 278.440 3.126 20 10 CGCDMO Cc1cc2c(nc[nH+]c2NCc2c(C)cc(C)cc2O)[nH]1 ZINC001160808078 806303871 /nfs/dbraw/zinc/30/38/71/806303871.db2.gz ISKYUJQCOGKCEY-UHFFFAOYSA-N 1 1 282.347 3.201 20 10 CGCDMO CCC[C@@H](C)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000037328804 798866991 /nfs/dbraw/zinc/86/69/91/798866991.db2.gz DNNWEUMHDKGFAS-SNVBAGLBSA-N 1 1 267.344 3.354 20 10 CGCDMO CCC[C@@H](C)[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000037328804 798866995 /nfs/dbraw/zinc/86/69/95/798866995.db2.gz DNNWEUMHDKGFAS-SNVBAGLBSA-N 1 1 267.344 3.354 20 10 CGCDMO CC(C)[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCCO1 ZINC000381146705 799373460 /nfs/dbraw/zinc/37/34/60/799373460.db2.gz RORKTNLUNAFVLK-HNNXBMFYSA-N 1 1 283.799 3.293 20 10 CGCDMO CS[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000394998328 799501549 /nfs/dbraw/zinc/50/15/49/799501549.db2.gz ILCRLPBFIYMVSK-GFCCVEGCSA-N 1 1 299.823 3.186 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccc(F)cc1O ZINC000397982266 799524144 /nfs/dbraw/zinc/52/41/44/799524144.db2.gz SBHDTCZWQYRGEC-FXPVBKGRSA-N 1 1 255.358 3.076 20 10 CGCDMO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCCC1(F)F ZINC000398147051 799526767 /nfs/dbraw/zinc/52/67/67/799526767.db2.gz OGFXGGFYKOBKLA-LLVKDONJSA-N 1 1 261.699 3.323 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCCC1(F)F)c1cc(F)ccc1O ZINC000398212084 799528050 /nfs/dbraw/zinc/52/80/50/799528050.db2.gz SRMAEKWIDGTGJD-PRHODGIISA-N 1 1 259.271 3.370 20 10 CGCDMO CCOc1cccc(C[N@H+]2C[C@H](CC)OC[C@H]2CC)c1O ZINC000403906012 799572270 /nfs/dbraw/zinc/57/22/70/799572270.db2.gz WWPGRYCSRWKPEE-CABCVRRESA-N 1 1 293.407 3.180 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](CCF)C2)c1 ZINC000689870025 799770844 /nfs/dbraw/zinc/77/08/44/799770844.db2.gz YZTJQLCTEHAKTD-CYBMUJFWSA-N 1 1 251.345 3.272 20 10 CGCDMO C[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1O)CC(F)F ZINC000697752936 799848371 /nfs/dbraw/zinc/84/83/71/799848371.db2.gz NOUIPNSTIOEZRT-RKDXNWHRSA-N 1 1 261.287 3.473 20 10 CGCDMO COc1cc(Cl)cc(C[NH2+][C@H](C)c2cscn2)c1O ZINC000697874279 799850389 /nfs/dbraw/zinc/85/03/89/799850389.db2.gz ZFVPHXXFLLAYQC-MRVPVSSYSA-N 1 1 298.795 3.362 20 10 CGCDMO CCCO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000701666419 799893201 /nfs/dbraw/zinc/89/32/01/799893201.db2.gz VNLPCEHMBKTQOE-CYBMUJFWSA-N 1 1 269.772 3.047 20 10 CGCDMO CCC[C@H](C[NH2+][C@H](C)c1ccc(F)cc1O)OCC ZINC000705312111 799946973 /nfs/dbraw/zinc/94/69/73/799946973.db2.gz RZKLFHCEBUIIDU-DGCLKSJQSA-N 1 1 269.360 3.387 20 10 CGCDMO CCc1cccc(C[N@@H+](C)CCOC(C)(C)C)c1O ZINC000708573452 799991303 /nfs/dbraw/zinc/99/13/03/799991303.db2.gz NJRAXDFNSHOEOQ-UHFFFAOYSA-N 1 1 265.397 3.202 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@@H](C3CCCC3)C2)c1O ZINC000708870487 799999749 /nfs/dbraw/zinc/99/97/49/799999749.db2.gz QKCFKYFIOCVWFT-CQSZACIVSA-N 1 1 275.392 3.413 20 10 CGCDMO C[N@H+](C[C@@H]1CC(C)(C)OC1(C)C)c1ccc(N)cc1 ZINC000709703431 800014751 /nfs/dbraw/zinc/01/47/51/800014751.db2.gz UAZLEETWYLDYNV-LBPRGKRZSA-N 1 1 262.397 3.299 20 10 CGCDMO C[N@@H+](C[C@@H]1CC(C)(C)OC1(C)C)c1ccc(N)cc1 ZINC000709703431 800014758 /nfs/dbraw/zinc/01/47/58/800014758.db2.gz UAZLEETWYLDYNV-LBPRGKRZSA-N 1 1 262.397 3.299 20 10 CGCDMO CC[NH+](CC)CC[C@H](C)N(C)Cc1ccc(N(C)C)cc1 ZINC001255973365 806804029 /nfs/dbraw/zinc/80/40/29/806804029.db2.gz ZCIAABNWHNJBDD-INIZCTEOSA-N 1 1 291.483 3.305 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C1CCC=CCC1 ZINC000718029316 800209534 /nfs/dbraw/zinc/20/95/34/800209534.db2.gz KZRLXUMWISEAIQ-UHFFFAOYSA-N 1 1 253.292 3.259 20 10 CGCDMO COc1ccc(C[NH2+]Cc2nc(C)c(C)s2)cc1C ZINC000719561790 800243514 /nfs/dbraw/zinc/24/35/14/800243514.db2.gz QUSXAKFHMAAKKT-UHFFFAOYSA-N 1 1 276.405 3.367 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)[C@@H]1CCCOC1 ZINC000724013660 800353904 /nfs/dbraw/zinc/35/39/04/800353904.db2.gz QZMONXRAJRZAQX-ZOWXZIJZSA-N 1 1 281.371 3.387 20 10 CGCDMO COc1cccc(C[N@@H+](C)[C@@H]2CC[C@H](SC)C2)c1O ZINC001116444861 802351023 /nfs/dbraw/zinc/35/10/23/802351023.db2.gz BQQRBINQYHGDIM-OLZOCXBDSA-N 1 1 281.421 3.117 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)[C@@H]2CC[C@@H](SC)C2)c1O ZINC001119496080 802672108 /nfs/dbraw/zinc/67/21/08/802672108.db2.gz HAAOZMBFZINISQ-ZIAGYGMSSA-N 1 1 295.448 3.425 20 10 CGCDMO COc1ccc(CCC[N@@H+](C)Cc2ccc(N)cc2)cc1 ZINC001120262841 802737432 /nfs/dbraw/zinc/73/74/32/802737432.db2.gz FKPRDTDCODPEPR-UHFFFAOYSA-N 1 1 284.403 3.342 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1cnc3ccccc3c1)CC2 ZINC001137284443 803707713 /nfs/dbraw/zinc/70/77/13/803707713.db2.gz NZXXTWJCMWTCOE-UHFFFAOYSA-N 1 1 290.366 3.499 20 10 CGCDMO C[N@H+](Cc1ccccc1O)Cc1ccc(Cl)nc1F ZINC001137478160 803737080 /nfs/dbraw/zinc/73/70/80/803737080.db2.gz XZQYEWBECCMVKH-UHFFFAOYSA-N 1 1 280.730 3.212 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1ccc(Cl)nc1F ZINC001137478160 803737085 /nfs/dbraw/zinc/73/70/85/803737085.db2.gz XZQYEWBECCMVKH-UHFFFAOYSA-N 1 1 280.730 3.212 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2c(O)cccc2F)CCC1(F)F ZINC001137832020 803777711 /nfs/dbraw/zinc/77/77/11/803777711.db2.gz XCPXPUWKKWAZPN-SNVBAGLBSA-N 1 1 273.298 3.399 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)cccc2F)CCC1(F)F ZINC001137832020 803777716 /nfs/dbraw/zinc/77/77/16/803777716.db2.gz XCPXPUWKKWAZPN-SNVBAGLBSA-N 1 1 273.298 3.399 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001137832687 803777743 /nfs/dbraw/zinc/77/77/43/803777743.db2.gz DIWNPWIVJPBXHM-LBPRGKRZSA-N 1 1 295.251 3.255 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001137832687 803777748 /nfs/dbraw/zinc/77/77/48/803777748.db2.gz DIWNPWIVJPBXHM-LBPRGKRZSA-N 1 1 295.251 3.255 20 10 CGCDMO C[N@H+](CCc1ccccc1)Cc1c(O)cccc1F ZINC001137831518 803778855 /nfs/dbraw/zinc/77/88/55/803778855.db2.gz CGTIAKFPVGZVGU-UHFFFAOYSA-N 1 1 259.324 3.206 20 10 CGCDMO C[N@@H+](CCc1ccccc1)Cc1c(O)cccc1F ZINC001137831518 803778858 /nfs/dbraw/zinc/77/88/58/803778858.db2.gz CGTIAKFPVGZVGU-UHFFFAOYSA-N 1 1 259.324 3.206 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@H](O)[C@H](C)C2)c(C)n1-c1ccccc1 ZINC001137854008 803784071 /nfs/dbraw/zinc/78/40/71/803784071.db2.gz DTRODPBFYOXIQD-KUHUBIRLSA-N 1 1 298.430 3.297 20 10 CGCDMO C[N@H+](Cc1ccccc1O)Cc1cc(F)cc(F)c1F ZINC001137873545 803792109 /nfs/dbraw/zinc/79/21/09/803792109.db2.gz JGFFUKMKYVYNAF-UHFFFAOYSA-N 1 1 281.277 3.442 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1cc(F)cc(F)c1F ZINC001137873545 803792112 /nfs/dbraw/zinc/79/21/12/803792112.db2.gz JGFFUKMKYVYNAF-UHFFFAOYSA-N 1 1 281.277 3.442 20 10 CGCDMO O[C@@H]1CCCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138215603 803875030 /nfs/dbraw/zinc/87/50/30/803875030.db2.gz LCHHMMQCWCWJAU-GOSISDBHSA-N 1 1 288.435 3.024 20 10 CGCDMO Cc1c(C[N@@H+]2C[C@@H](F)C[C@H]2C)c2ccccc2n1C ZINC001138252317 803880598 /nfs/dbraw/zinc/88/05/98/803880598.db2.gz BVLPICIRQVIHLX-YPMHNXCESA-N 1 1 260.356 3.419 20 10 CGCDMO CCCOC1C[NH+](Cc2c(C)n(C)c3ccccc32)C1 ZINC001138256721 803881519 /nfs/dbraw/zinc/88/15/19/803881519.db2.gz HUQNPVVLAWIYIU-UHFFFAOYSA-N 1 1 272.392 3.098 20 10 CGCDMO Cc1c(C[N@H+]2CCC[C@]23CCOC3)c2ccccc2n1C ZINC001138257968 803884181 /nfs/dbraw/zinc/88/41/81/803884181.db2.gz FUQCBBKDCXJMFI-GOSISDBHSA-N 1 1 284.403 3.242 20 10 CGCDMO CN1CCCc2cc(C[N@@H+]3C[C@H]4[C@H](CC4(F)F)C3)ccc21 ZINC001138354393 803901363 /nfs/dbraw/zinc/90/13/63/803901363.db2.gz HZBQNNXRZYMALU-CABCVRRESA-N 1 1 292.373 3.156 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](F)C2)c(OC)c1 ZINC001138386543 803913652 /nfs/dbraw/zinc/91/36/52/803913652.db2.gz QNHSDLFMFPRCRC-CQSZACIVSA-N 1 1 280.387 3.085 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](F)C2)c(OC)c1 ZINC001138386543 803913660 /nfs/dbraw/zinc/91/36/60/803913660.db2.gz QNHSDLFMFPRCRC-CQSZACIVSA-N 1 1 280.387 3.085 20 10 CGCDMO Cc1cc(C[N@@H+]2CC[C@H](C)[C@@](C)(O)CC2)ccc1N(C)C ZINC001139669791 804247299 /nfs/dbraw/zinc/24/72/99/804247299.db2.gz OAEDJQNGRGPVRW-YJBOKZPZSA-N 1 1 290.451 3.044 20 10 CGCDMO CC[N@@H+](Cc1ccc(C)cn1)Cc1ccccc1O ZINC001139842458 804297926 /nfs/dbraw/zinc/29/79/26/804297926.db2.gz HJGGSWOCQBOUIP-UHFFFAOYSA-N 1 1 256.349 3.118 20 10 CGCDMO Oc1cccc(Br)c1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001140101610 804376522 /nfs/dbraw/zinc/37/65/22/804376522.db2.gz YZHKUBFKZHPXEZ-VHSXEESVSA-N 1 1 282.181 3.139 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c1O ZINC001140181498 804396210 /nfs/dbraw/zinc/39/62/10/804396210.db2.gz CFIPBYAYJRJASU-CQSZACIVSA-N 1 1 267.319 3.240 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC001140344962 804420052 /nfs/dbraw/zinc/42/00/52/804420052.db2.gz OHGNJKVINADKMD-CYBMUJFWSA-N 1 1 288.778 3.430 20 10 CGCDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001140466266 804443098 /nfs/dbraw/zinc/44/30/98/804443098.db2.gz DLMXASVCYVCOSD-CQSZACIVSA-N 1 1 283.799 3.435 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)c1 ZINC001140617331 804476396 /nfs/dbraw/zinc/47/63/96/804476396.db2.gz NMILHLLKIANWPR-CYBMUJFWSA-N 1 1 273.298 3.270 20 10 CGCDMO CCCCC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1F ZINC001140662294 804487541 /nfs/dbraw/zinc/48/75/41/804487541.db2.gz MXSUAOVPYNIHRG-UHFFFAOYSA-N 1 1 294.414 3.284 20 10 CGCDMO C[N@H+]1CCC[C@H]1c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256956855 807014925 /nfs/dbraw/zinc/01/49/25/807014925.db2.gz ANDUWMFTQFSXQH-HNNXBMFYSA-N 1 1 294.358 3.294 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@]3(CCO3)C2)c(Cl)c1 ZINC001140926046 804550827 /nfs/dbraw/zinc/55/08/27/804550827.db2.gz YGOBXGFANQRLCM-INIZCTEOSA-N 1 1 294.826 3.161 20 10 CGCDMO COCC[N@@H+](Cc1ccc(N(C)C)cc1Cl)C(C)C ZINC001140923558 804551011 /nfs/dbraw/zinc/55/10/11/804551011.db2.gz DIHBTPSNJXKREB-UHFFFAOYSA-N 1 1 284.831 3.263 20 10 CGCDMO CCCCCN1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC001140949569 804555676 /nfs/dbraw/zinc/55/56/76/804555676.db2.gz FBAAYZMVWXQHKJ-UHFFFAOYSA-N 1 1 276.424 3.008 20 10 CGCDMO CCC[N@@H+](Cc1ccc(C)cc1O)C1CCOCC1 ZINC001140957619 804558289 /nfs/dbraw/zinc/55/82/89/804558289.db2.gz FKQXGXBNFGASBE-UHFFFAOYSA-N 1 1 263.381 3.092 20 10 CGCDMO CC[N@@H+](CCN1CCCCC1)Cc1ccc(C)cc1O ZINC001140950746 804559003 /nfs/dbraw/zinc/55/90/03/804559003.db2.gz GOKDBUBTQFNARH-UHFFFAOYSA-N 1 1 276.424 3.008 20 10 CGCDMO CCN(CC[NH+]1CCCCC1)Cc1ccc(C)cc1O ZINC001140950746 804559005 /nfs/dbraw/zinc/55/90/05/804559005.db2.gz GOKDBUBTQFNARH-UHFFFAOYSA-N 1 1 276.424 3.008 20 10 CGCDMO CC[C@@H]1CCC[N@@H+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141029480 804574525 /nfs/dbraw/zinc/57/45/25/804574525.db2.gz UBKBNXQIJDSPST-GFCCVEGCSA-N 1 1 279.380 3.031 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1 ZINC001141161299 804601175 /nfs/dbraw/zinc/60/11/75/804601175.db2.gz CSFMVRHMCDXLMH-BETUJISGSA-N 1 1 281.355 3.185 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH+]1CC2(C1)CCCC2 ZINC001142508538 804727886 /nfs/dbraw/zinc/72/78/86/804727886.db2.gz CJCOZKJHGCTIPE-UHFFFAOYSA-N 1 1 253.292 3.046 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH+]1CCC2(CC(F)C2)CC1 ZINC001142512690 804728836 /nfs/dbraw/zinc/72/88/36/804728836.db2.gz IHJXLKSVYDZUHZ-UHFFFAOYSA-N 1 1 285.309 3.385 20 10 CGCDMO C[N@H+](CCOc1ccccc1)Cc1cc(F)c(F)cc1O ZINC001142520169 804730396 /nfs/dbraw/zinc/73/03/96/804730396.db2.gz CLLQQTIDFYJVLO-UHFFFAOYSA-N 1 1 293.313 3.181 20 10 CGCDMO C[N@@H+](CCOc1ccccc1)Cc1cc(F)c(F)cc1O ZINC001142520169 804730404 /nfs/dbraw/zinc/73/04/04/804730404.db2.gz CLLQQTIDFYJVLO-UHFFFAOYSA-N 1 1 293.313 3.181 20 10 CGCDMO [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001142524786 804731570 /nfs/dbraw/zinc/73/15/70/804731570.db2.gz KOMGGMXZNQUYEL-YGRLFVJLSA-N 1 1 267.319 3.435 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001142524786 804731573 /nfs/dbraw/zinc/73/15/73/804731573.db2.gz KOMGGMXZNQUYEL-YGRLFVJLSA-N 1 1 267.319 3.435 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001142524786 804731577 /nfs/dbraw/zinc/73/15/77/804731577.db2.gz KOMGGMXZNQUYEL-YGRLFVJLSA-N 1 1 267.319 3.435 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2O)C2(CC2)C1 ZINC001142526976 804731627 /nfs/dbraw/zinc/73/16/27/804731627.db2.gz DOKZHXQOBOBSAQ-VIFPVBQESA-N 1 1 253.292 3.045 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)C2(CC2)C1 ZINC001142526976 804731629 /nfs/dbraw/zinc/73/16/29/804731629.db2.gz DOKZHXQOBOBSAQ-VIFPVBQESA-N 1 1 253.292 3.045 20 10 CGCDMO C[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)[C@H]1C ZINC001142521042 804731655 /nfs/dbraw/zinc/73/16/55/804731655.db2.gz VFEPNVKNDXJPKT-UWVGGRQHSA-N 1 1 255.308 3.291 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)[C@H]1C ZINC001142521042 804731658 /nfs/dbraw/zinc/73/16/58/804731658.db2.gz VFEPNVKNDXJPKT-UWVGGRQHSA-N 1 1 255.308 3.291 20 10 CGCDMO CC[N@@H+](Cc1cccnc1)Cc1cc(F)c(F)cc1[O-] ZINC001142524834 804732194 /nfs/dbraw/zinc/73/21/94/804732194.db2.gz MNEMJJWYCHZMAO-UHFFFAOYSA-N 1 1 278.302 3.088 20 10 CGCDMO CC[N@@H+](Cc1cccnc1)Cc1cc(F)c(F)cc1O ZINC001142524834 804732208 /nfs/dbraw/zinc/73/22/08/804732208.db2.gz MNEMJJWYCHZMAO-UHFFFAOYSA-N 1 1 278.302 3.088 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CC[C@]23CCOC3)c1O ZINC001143117050 804805167 /nfs/dbraw/zinc/80/51/67/804805167.db2.gz QRUUKKXQJMJBII-QGZVFWFLSA-N 1 1 275.392 3.055 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CC[C@@H](C3CCCCC3)C2)c(O)c1 ZINC001144514572 804997627 /nfs/dbraw/zinc/99/76/27/804997627.db2.gz LAACBFQRMWTTPA-CYBMUJFWSA-N 1 1 291.391 3.206 20 10 CGCDMO C[N@@H+](Cc1ccccc1Cl)Cc1c(O)cc(O)cc1O ZINC001144508853 804997795 /nfs/dbraw/zinc/99/77/95/804997795.db2.gz AUUIJDHLKGEZMW-UHFFFAOYSA-N 1 1 293.750 3.089 20 10 CGCDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2c(O)cc(O)cc2O)cc1 ZINC001144509017 804997946 /nfs/dbraw/zinc/99/79/46/804997946.db2.gz HRRJQJIVSFIWND-MRXNPFEDSA-N 1 1 299.370 3.449 20 10 CGCDMO Cc1cc(C[N@@H+]2CC[C@@H](C)C2)c(O)cc1Br ZINC001250120931 805428175 /nfs/dbraw/zinc/42/81/75/805428175.db2.gz VIVBAZZRNLQNGH-SECBINFHSA-N 1 1 284.197 3.305 20 10 CGCDMO COc1ccc2c(c1)C[C@@H]([N@@H+](C)Cc1ccccc1O)C2 ZINC001168285113 807373066 /nfs/dbraw/zinc/37/30/66/807373066.db2.gz ZUOSJCYVWFQFTB-INIZCTEOSA-N 1 1 283.371 3.000 20 10 CGCDMO COc1ccc(N2CCC3(CCC[N@@H+](C)C3)CC2)c(C)c1 ZINC001277019031 809053891 /nfs/dbraw/zinc/05/38/91/809053891.db2.gz SXIJHPRZBZNUKW-UHFFFAOYSA-N 1 1 288.435 3.316 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCc2ccccc21 ZINC001177855184 809826379 /nfs/dbraw/zinc/82/63/79/809826379.db2.gz NKUSPTYZJMVXGM-LBPRGKRZSA-N 1 1 289.325 3.490 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC001180082802 809971868 /nfs/dbraw/zinc/97/18/68/809971868.db2.gz TVEXINRVLRZPLE-CWIOURORSA-N 1 1 270.420 3.498 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CC[C@H](c3ccco3)C2)c(O)c1 ZINC001180267105 809987459 /nfs/dbraw/zinc/98/74/59/809987459.db2.gz OGMMWDWLCGCOHS-ZDUSSCGKSA-N 1 1 287.359 3.292 20 10 CGCDMO CC(C)C[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(F)cc2O)CCO1 ZINC001180325815 809993501 /nfs/dbraw/zinc/99/35/01/809993501.db2.gz BEHNHUBMCAEOQY-STQMWFEESA-N 1 1 299.361 3.354 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CC[C@H](O)C(C)(C)C2)c1 ZINC001180963000 810029784 /nfs/dbraw/zinc/02/97/84/810029784.db2.gz UDXCIMBSKSSDCW-INIZCTEOSA-N 1 1 277.408 3.108 20 10 CGCDMO Oc1c(F)cccc1C[NH2+][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001182865269 810128578 /nfs/dbraw/zinc/12/85/78/810128578.db2.gz WKFSTXGFFSLACN-MXWKQRLJSA-N 1 1 271.282 3.055 20 10 CGCDMO CCc1nnc([C@H](C)[NH2+]Cc2c(C)c3ccccc3n2C)[nH]1 ZINC001201813949 811967822 /nfs/dbraw/zinc/96/78/22/811967822.db2.gz HHOIYOOXFFECLX-LBPRGKRZSA-N 1 1 297.406 3.018 20 10 CGCDMO CCOc1ccc(N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC001203285108 812290778 /nfs/dbraw/zinc/29/07/78/812290778.db2.gz UUNJLKQSWKBHPL-UHFFFAOYSA-N 1 1 286.375 3.001 20 10 CGCDMO CC(=O)c1ccc2c(c1)C[N@H+](Cc1ccccc1O)CC2 ZINC001203558630 812393026 /nfs/dbraw/zinc/39/30/26/812393026.db2.gz QVNIAKRKVAJGCQ-UHFFFAOYSA-N 1 1 281.355 3.153 20 10 CGCDMO O=C1CC[N@@H+](Cc2cc(Cl)ccc2O)[C@H]2CCCC[C@@H]12 ZINC001203648144 812416084 /nfs/dbraw/zinc/41/60/84/812416084.db2.gz FCLWVJSRWISUNA-KGLIPLIRSA-N 1 1 293.794 3.379 20 10 CGCDMO O=C1CC[N@H+](Cc2cc(Cl)ccc2O)[C@H]2CCCC[C@@H]12 ZINC001203648144 812416088 /nfs/dbraw/zinc/41/60/88/812416088.db2.gz FCLWVJSRWISUNA-KGLIPLIRSA-N 1 1 293.794 3.379 20 10 CGCDMO C[N@@H+](CCc1cccnc1)Cc1cc(Cl)ccc1O ZINC001203664175 812422069 /nfs/dbraw/zinc/42/20/69/812422069.db2.gz PRYYVWPRPZRHCH-UHFFFAOYSA-N 1 1 276.767 3.115 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001203664432 812422481 /nfs/dbraw/zinc/42/24/81/812422481.db2.gz FEIOKXILRQLAME-CYBMUJFWSA-N 1 1 295.810 3.294 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2C(C)=O)cc1 ZINC001203943429 812498707 /nfs/dbraw/zinc/49/87/07/812498707.db2.gz AVUBNCALTRLFPI-KRWDZBQOSA-N 1 1 274.408 3.086 20 10 CGCDMO CC[N@@H+](Cc1ccc(O)cc1O)Cc1ccccc1F ZINC001204280353 812594204 /nfs/dbraw/zinc/59/42/04/812594204.db2.gz JYMQXOAOBRWNCP-UHFFFAOYSA-N 1 1 275.323 3.259 20 10 CGCDMO COc1cccc([C@H]2CCC[N@H+]2Cc2ccc(O)cc2O)c1 ZINC001204278874 812594650 /nfs/dbraw/zinc/59/46/50/812594650.db2.gz LHAMWPRHCDZHFJ-QGZVFWFLSA-N 1 1 299.370 3.444 20 10 CGCDMO CC(C)[N@@H+](CC(=O)c1ccccc1)Cc1ccc(O)cc1O ZINC001204280596 812594957 /nfs/dbraw/zinc/59/49/57/812594957.db2.gz LEBXPWCGCFKVST-UHFFFAOYSA-N 1 1 299.370 3.191 20 10 CGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CCCC12CC2 ZINC001204319736 812611540 /nfs/dbraw/zinc/61/15/40/812611540.db2.gz GITJDYXQBMHTHO-UHFFFAOYSA-N 1 1 256.393 3.415 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1Cl ZINC001204615627 812691575 /nfs/dbraw/zinc/69/15/75/812691575.db2.gz KLOJWWXFVUOIJD-TXEJJXNPSA-N 1 1 265.784 3.442 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001204749969 812725018 /nfs/dbraw/zinc/72/50/18/812725018.db2.gz QJALWJSSZIXVFS-HNNXBMFYSA-N 1 1 263.381 3.126 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1O ZINC001204892081 812766739 /nfs/dbraw/zinc/76/67/39/812766739.db2.gz UVQSMCLMMBEVAP-ZFWWWQNUSA-N 1 1 275.392 3.474 20 10 CGCDMO C[C@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C[C@H]1C[NH3+] ZINC001205151008 812887655 /nfs/dbraw/zinc/88/76/55/812887655.db2.gz NDUHSULDHGERSI-WMLDXEAASA-N 1 1 296.414 3.086 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C[C@H]1C[NH3+] ZINC001205151008 812887662 /nfs/dbraw/zinc/88/76/62/812887662.db2.gz NDUHSULDHGERSI-WMLDXEAASA-N 1 1 296.414 3.086 20 10 CGCDMO Cc1cccc2c1CC[N@@H+](Cc1ccc(N)cc1)C2 ZINC001205164991 812894790 /nfs/dbraw/zinc/89/47/90/812894790.db2.gz ZNLBNAVLHONBQP-UHFFFAOYSA-N 1 1 252.361 3.136 20 10 CGCDMO C[C@H]1CC[C@H](CN)[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001205829736 813099995 /nfs/dbraw/zinc/09/99/95/813099995.db2.gz PNVXKOQDLMELRE-DZGCQCFKSA-N 1 1 284.403 3.105 20 10 CGCDMO C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc2ccccc2cc1[O-] ZINC001205915846 813130781 /nfs/dbraw/zinc/13/07/81/813130781.db2.gz QVWXYCBBTKRDDQ-XJKSGUPXSA-N 1 1 284.403 3.105 20 10 CGCDMO C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc2ccccc2cc1[O-] ZINC001205915846 813130784 /nfs/dbraw/zinc/13/07/84/813130784.db2.gz QVWXYCBBTKRDDQ-XJKSGUPXSA-N 1 1 284.403 3.105 20 10 CGCDMO C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC001205916593 813133019 /nfs/dbraw/zinc/13/30/19/813133019.db2.gz UQTLWTHGCUDWIN-DZGCQCFKSA-N 1 1 284.403 3.105 20 10 CGCDMO C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC001205916593 813133024 /nfs/dbraw/zinc/13/30/24/813133024.db2.gz UQTLWTHGCUDWIN-DZGCQCFKSA-N 1 1 284.403 3.105 20 10 CGCDMO C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001206572551 813359948 /nfs/dbraw/zinc/35/99/48/813359948.db2.gz CNMIQPGDLFFFMJ-IBGZPJMESA-N 1 1 298.430 3.496 20 10 CGCDMO C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001206572551 813359958 /nfs/dbraw/zinc/35/99/58/813359958.db2.gz CNMIQPGDLFFFMJ-IBGZPJMESA-N 1 1 298.430 3.496 20 10 CGCDMO Cn1ccc2c1cc[nH+]c2-c1cncc(N2CCCC2)c1 ZINC001242617771 823064418 /nfs/dbraw/zinc/06/44/18/823064418.db2.gz SLZPHGMDBDEYMU-UHFFFAOYSA-N 1 1 278.359 3.236 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@@H+](C)[C@H]2CN3CCC2CC3)c1 ZINC001207252698 813521638 /nfs/dbraw/zinc/52/16/38/813521638.db2.gz RSOYQQISXVWLKH-KRWDZBQOSA-N 1 1 288.435 3.042 20 10 CGCDMO CC(C)c1ccc(O)c(CN(C)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001207252698 813521643 /nfs/dbraw/zinc/52/16/43/813521643.db2.gz RSOYQQISXVWLKH-KRWDZBQOSA-N 1 1 288.435 3.042 20 10 CGCDMO CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1c(O)cccc1F ZINC001207621333 813619356 /nfs/dbraw/zinc/61/93/56/813619356.db2.gz FMQXDOOKJQBMAO-FZMZJTMJSA-N 1 1 251.345 3.446 20 10 CGCDMO C[C@@H]1CC(C[N@@H+](C)Cc2ccccc2O)C[C@@H](C)O1 ZINC001209397031 814013990 /nfs/dbraw/zinc/01/39/90/814013990.db2.gz IMZVRYCOTUHMEH-CHWSQXEVSA-N 1 1 263.381 3.028 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@@](C)(O)C2)cc1 ZINC001209516941 814071476 /nfs/dbraw/zinc/07/14/76/814071476.db2.gz ULCDNFASCYTUAY-GOSISDBHSA-N 1 1 284.403 3.051 20 10 CGCDMO C[N@H+]1CC[C@@H](OC2=CC(=O)C=CC2=NNc2ccccn2)C1 ZINC001227487795 817660140 /nfs/dbraw/zinc/66/01/40/817660140.db2.gz ZPSDZEWOTDVODV-NIVDNSEKSA-N 1 1 298.346 3.286 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@@H+]1Cc2cccnc2C1 ZINC001231587878 818130593 /nfs/dbraw/zinc/13/05/93/818130593.db2.gz IFZXAOVDDDZGIF-UHFFFAOYSA-N 1 1 276.339 3.456 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1Cc2cccnc2C1 ZINC001231587878 818130597 /nfs/dbraw/zinc/13/05/97/818130597.db2.gz IFZXAOVDDDZGIF-UHFFFAOYSA-N 1 1 276.339 3.456 20 10 CGCDMO Cc1cccc(C[N@H+]2CCOC[C@@H]2C2CCCCC2)c1O ZINC001231594415 818131531 /nfs/dbraw/zinc/13/15/31/818131531.db2.gz GPRGVWHGEATIMO-QGZVFWFLSA-N 1 1 289.419 3.482 20 10 CGCDMO Cc1nc2c(s1)C[N@@H+](Cc1cccc(C)c1O)CC2 ZINC001231593184 818132058 /nfs/dbraw/zinc/13/20/58/818132058.db2.gz QIYYBNGTDYKKFD-UHFFFAOYSA-N 1 1 274.389 3.024 20 10 CGCDMO CCC[N@@H+](Cc1cc(OC)c(O)cc1O)[C@H](C)CC ZINC001231634687 818143674 /nfs/dbraw/zinc/14/36/74/818143674.db2.gz QSVMILNBDNZCTF-LLVKDONJSA-N 1 1 267.369 3.117 20 10 CGCDMO CCc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)nc1 ZINC001231642477 818145099 /nfs/dbraw/zinc/14/50/99/818145099.db2.gz BSNKPBXZLCKTLI-UHFFFAOYSA-N 1 1 283.419 3.342 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCC[C@@](C)(F)C2)c(O)c1 ZINC001231841630 818186219 /nfs/dbraw/zinc/18/62/19/818186219.db2.gz CHCSRWNEYPYQJW-OAHLLOKOSA-N 1 1 251.345 3.333 20 10 CGCDMO Cc1cc(C)c(C[N@H+](C)Cc2nccs2)c(O)c1 ZINC001231846835 818187528 /nfs/dbraw/zinc/18/75/28/818187528.db2.gz QTAXJXYKWFDGIX-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO Cc1cc(C)c(C[N@@H+](C)Cc2nccs2)c(O)c1 ZINC001231846835 818187533 /nfs/dbraw/zinc/18/75/33/818187533.db2.gz QTAXJXYKWFDGIX-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)c(O)c1 ZINC001231844510 818187758 /nfs/dbraw/zinc/18/77/58/818187758.db2.gz LRVPXHJHKBJIRF-PBHICJAKSA-N 1 1 275.392 3.010 20 10 CGCDMO Cc1cc(C)c(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)c(O)c1 ZINC001231851059 818188776 /nfs/dbraw/zinc/18/87/76/818188776.db2.gz YSVHTKUYHNBGHC-MRXNPFEDSA-N 1 1 297.398 3.445 20 10 CGCDMO CC[N@@H+](Cc1ccncc1)Cc1ccc(N(C)C)cc1OC ZINC001231849247 818188889 /nfs/dbraw/zinc/18/88/89/818188889.db2.gz QCGFVVIYXPHDOU-UHFFFAOYSA-N 1 1 299.418 3.178 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)cc1Cl ZINC001231867521 818191718 /nfs/dbraw/zinc/19/17/18/818191718.db2.gz NWHLCSAHUUFEEL-DETPVDSQSA-N 1 1 295.810 3.353 20 10 CGCDMO C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1ccc2ccccc2c1O ZINC001231879235 818198831 /nfs/dbraw/zinc/19/88/31/818198831.db2.gz AYEWPZQJWMSPBO-KGLIPLIRSA-N 1 1 285.387 3.138 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)CC[C@@H]1O ZINC001231879372 818199731 /nfs/dbraw/zinc/19/97/31/818199731.db2.gz CYPPANYXRFKGNU-DYVFJYSZSA-N 1 1 285.387 3.138 20 10 CGCDMO Cc1cc(C[N@@H+](C)Cc2ccc3ccccc3c2O)n(C)n1 ZINC001231880688 818200511 /nfs/dbraw/zinc/20/05/11/818200511.db2.gz CRZRLILLYOECMU-UHFFFAOYSA-N 1 1 295.386 3.219 20 10 CGCDMO CCO[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231883721 818201991 /nfs/dbraw/zinc/20/19/91/818201991.db2.gz TUUBIDLFMQNJHA-OAHLLOKOSA-N 1 1 271.360 3.156 20 10 CGCDMO CN(C1CC1)[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231882216 818202198 /nfs/dbraw/zinc/20/21/98/818202198.db2.gz FWPFZYOMFYFAJF-QGZVFWFLSA-N 1 1 296.414 3.214 20 10 CGCDMO C[N@H+](C1CC1)[C@@H]1CCN(Cc2ccc3ccccc3c2O)C1 ZINC001231882216 818202203 /nfs/dbraw/zinc/20/22/03/818202203.db2.gz FWPFZYOMFYFAJF-QGZVFWFLSA-N 1 1 296.414 3.214 20 10 CGCDMO C[N@@H+](C1CC1)[C@@H]1CCN(Cc2ccc3ccccc3c2O)C1 ZINC001231882216 818202209 /nfs/dbraw/zinc/20/22/09/818202209.db2.gz FWPFZYOMFYFAJF-QGZVFWFLSA-N 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FWKASOZNESYYGU-QGZVFWFLSA-N 1 1 298.386 3.441 20 10 CGCDMO CC[C@H]1COCC[N@H+]1Cc1cc2ccccc2cc1O ZINC001236832602 819611438 /nfs/dbraw/zinc/61/14/38/819611438.db2.gz IZQFFCYCRRZOEK-INIZCTEOSA-N 1 1 271.360 3.156 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@H+]1CC[C@H](N2CCCC2)C1 ZINC001236835266 819614812 /nfs/dbraw/zinc/61/48/12/819614812.db2.gz FXQWDLANUZJGIT-SFHVURJKSA-N 1 1 296.414 3.216 20 10 CGCDMO Oc1cc2ccccc2cc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC001236835266 819614815 /nfs/dbraw/zinc/61/48/15/819614815.db2.gz FXQWDLANUZJGIT-SFHVURJKSA-N 1 1 296.414 3.216 20 10 CGCDMO C[N@@H+](Cc1cc2ccccc2cc1O)CC1(C)COC1 ZINC001236839078 819616810 /nfs/dbraw/zinc/61/68/10/819616810.db2.gz DKTWCIKAMZFMKV-UHFFFAOYSA-N 1 1 271.360 3.014 20 10 CGCDMO CC1(C)C[NH+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236929947 819638146 /nfs/dbraw/zinc/63/81/46/819638146.db2.gz ULVXMNVMKWHEFZ-UHFFFAOYSA-N 1 1 294.826 3.018 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)c(O)c1 ZINC001237045823 819651098 /nfs/dbraw/zinc/65/10/98/819651098.db2.gz LJCUWACPCMFLPX-RISCZKNCSA-N 1 1 251.345 3.305 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCc3cc(O)ccc3C2)c(O)c1 ZINC001237049843 819651597 /nfs/dbraw/zinc/65/15/97/819651597.db2.gz LZHFPEIWXUOOAA-UHFFFAOYSA-N 1 1 299.370 3.055 20 10 CGCDMO CC(C)c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3C)c(O)c1 ZINC001237055807 819654090 /nfs/dbraw/zinc/65/40/90/819654090.db2.gz QGJSOIOETATQOQ-RDJZCZTQSA-N 1 1 288.435 3.042 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+](Cc1ccco1)C1CC1 ZINC001237491616 819763559 /nfs/dbraw/zinc/76/35/59/819763559.db2.gz KJSCFSCBZZYBAU-UHFFFAOYSA-N 1 1 257.333 3.458 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001237490814 819764246 /nfs/dbraw/zinc/76/42/46/819764246.db2.gz BNGXILFFRKMKBS-QGZVFWFLSA-N 1 1 289.419 3.482 20 10 CGCDMO COCC[N@@H+](C)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237641354 819795229 /nfs/dbraw/zinc/79/52/29/819795229.db2.gz RZHCABVOARQLLF-UHFFFAOYSA-N 1 1 289.350 3.277 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCCC[C@](C)(O)C2)c1O ZINC001237681940 819806388 /nfs/dbraw/zinc/80/63/88/819806388.db2.gz UQNAEFKPCAOTPA-HNNXBMFYSA-N 1 1 283.799 3.091 20 10 CGCDMO C[N@@H+](Cc1cccc(-c2cc[nH]n2)c1)Cc1ccccc1O ZINC001238203577 819956461 /nfs/dbraw/zinc/95/64/61/819956461.db2.gz MPMSICRIEZDCMH-UHFFFAOYSA-N 1 1 293.370 3.414 20 10 CGCDMO C[C@H]1COc2ccccc2C[N@H+]1Cc1ccc(N)cc1 ZINC001352790630 937049715 /nfs/dbraw/zinc/04/97/15/937049715.db2.gz SKVYMARRXIAJMD-ZDUSSCGKSA-N 1 1 268.360 3.052 20 10 CGCDMO C[N@@H+](CCO)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000217611982 928158079 /nfs/dbraw/zinc/15/80/79/928158079.db2.gz VMYNVQOEQGVXFZ-UHFFFAOYSA-N 1 1 293.451 3.411 20 10 CGCDMO CC[C@](C)([NH2+]Cc1cc(F)c(F)cc1O)C1CC1 ZINC001308869443 928549501 /nfs/dbraw/zinc/54/95/01/928549501.db2.gz LSTJRWBSTHCPAT-AWEZNQCLSA-N 1 1 255.308 3.339 20 10 CGCDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000399505272 928808088 /nfs/dbraw/zinc/80/80/88/928808088.db2.gz LWXQZZWLNNMTAT-HZMBPMFUSA-N 1 1 279.355 3.354 20 10 CGCDMO Cc1ncsc1CCC[N@H+](C)Cc1ccccc1O ZINC001459689099 937496180 /nfs/dbraw/zinc/49/61/80/937496180.db2.gz QRQSWWGSIKGWRO-UHFFFAOYSA-N 1 1 276.405 3.222 20 10 CGCDMO Cc1c2ccccc2n(C)c1CN[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001461637406 937589926 /nfs/dbraw/zinc/58/99/26/937589926.db2.gz ZJFLHYDGXXVICO-OAHLLOKOSA-N 1 1 299.462 3.449 20 10 CGCDMO Cc1c2ccccc2n(C)c1CN[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001461637406 937589929 /nfs/dbraw/zinc/58/99/29/937589929.db2.gz ZJFLHYDGXXVICO-OAHLLOKOSA-N 1 1 299.462 3.449 20 10 CGCDMO COCC[N@H+](Cc1cc(F)cc(F)c1O)[C@@H]1CC[C@@H](C)C1 ZINC001462173289 937622630 /nfs/dbraw/zinc/62/26/30/937622630.db2.gz BOIDWXYUPZKUSI-BXUZGUMPSA-N 1 1 299.361 3.307 20 10 CGCDMO COCC[N@@H+](Cc1cc(F)cc(F)c1O)[C@@H]1CC[C@@H](C)C1 ZINC001462173289 937622632 /nfs/dbraw/zinc/62/26/32/937622632.db2.gz BOIDWXYUPZKUSI-BXUZGUMPSA-N 1 1 299.361 3.307 20 10 CGCDMO CC1(C)CCC[C@](CO)([NH2+]Cc2cc(F)c(F)cc2O)C1 ZINC001462436837 937641315 /nfs/dbraw/zinc/64/13/15/937641315.db2.gz 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/nfs/dbraw/zinc/99/17/83/934991783.db2.gz XVFSMAXTTUCUNY-DGAVXFQQSA-N 1 1 274.408 3.108 20 10 CGCDMO COC1(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)CCC1 ZINC001330576448 935297908 /nfs/dbraw/zinc/29/79/08/935297908.db2.gz AWHUVKMADYYEQD-UHFFFAOYSA-N 1 1 288.435 3.286 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2nccnc2C)cc1 ZINC001330656678 935309053 /nfs/dbraw/zinc/30/90/53/935309053.db2.gz JAFJQZBKVOSQOF-UHFFFAOYSA-N 1 1 298.434 3.263 20 10 CGCDMO OC[C@@H]1CCCCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001331963808 935427010 /nfs/dbraw/zinc/42/70/10/935427010.db2.gz IHMPFGBSOOMLOS-SFHVURJKSA-N 1 1 288.435 3.024 20 10 CGCDMO Cc1ccccc1OCC[N@H+](C)Cc1ccc(N)cc1 ZINC001334754289 936112166 /nfs/dbraw/zinc/11/21/66/936112166.db2.gz OMMINJZHRROQSA-UHFFFAOYSA-N 1 1 270.376 3.088 20 10 CGCDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(N)cc3)C2)cc1 ZINC001335284412 936137365 /nfs/dbraw/zinc/13/73/65/936137365.db2.gz BSTIQPQOFGRUGE-MRXNPFEDSA-N 1 1 282.387 3.267 20 10 CGCDMO C[C@H]1CN(c2ccccc2F)CC[N@H+]1Cc1ccc(N)cc1 ZINC001335290113 936137393 /nfs/dbraw/zinc/13/73/93/936137393.db2.gz SVJUXULMOVARIG-AWEZNQCLSA-N 1 1 299.393 3.119 20 10 CGCDMO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001473799524 937822202 /nfs/dbraw/zinc/82/22/02/937822202.db2.gz DAUZAJKFKVIPHL-LJQANCHMSA-N 1 1 298.430 3.226 20 10 CGCDMO CC[N@@H+](Cc1cc(F)c(N(C)C)cc1F)C1CCC1 ZINC001474361144 937853960 /nfs/dbraw/zinc/85/39/60/937853960.db2.gz YTSVTGQTHCYRGY-UHFFFAOYSA-N 1 1 268.351 3.405 20 10 CGCDMO CC[C@H]1C[N@H+](Cc2c(O)cc(C)cc2Cl)C[C@@H](C)O1 ZINC001474382458 937856316 /nfs/dbraw/zinc/85/63/16/937856316.db2.gz KFLHATMBQKDNJN-NEPJUHHUSA-N 1 1 283.799 3.353 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2c(O)cc(C)cc2Cl)C[C@@H](C)O1 ZINC001474382458 937856317 /nfs/dbraw/zinc/85/63/17/937856317.db2.gz KFLHATMBQKDNJN-NEPJUHHUSA-N 1 1 283.799 3.353 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@@H+](C)CC2(N(C)C)CCC2)c1 ZINC001474458739 937861142 /nfs/dbraw/zinc/86/11/42/937861142.db2.gz KWJDTTPGRKXFKM-UHFFFAOYSA-N 1 1 290.451 3.432 20 10 CGCDMO CC(C)c1ccc(O)c(CN(C)CC2([NH+](C)C)CCC2)c1 ZINC001474458739 937861144 /nfs/dbraw/zinc/86/11/44/937861144.db2.gz KWJDTTPGRKXFKM-UHFFFAOYSA-N 1 1 290.451 3.432 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC001474546797 937866360 /nfs/dbraw/zinc/86/63/60/937866360.db2.gz PNECJYCGTHWHMC-HZPDHXFCSA-N 1 1 293.794 3.189 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC001474546797 937866362 /nfs/dbraw/zinc/86/63/62/937866362.db2.gz PNECJYCGTHWHMC-HZPDHXFCSA-N 1 1 293.794 3.189 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C(=O)OC)[C@H](C)CC ZINC001559570942 938229869 /nfs/dbraw/zinc/22/98/69/938229869.db2.gz HGEINEUCSMUKGI-CZUORRHYSA-N 1 1 293.407 3.192 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C(=O)OC)[C@@H](C)CC ZINC001559570943 938229930 /nfs/dbraw/zinc/22/99/30/938229930.db2.gz HGEINEUCSMUKGI-XJKSGUPXSA-N 1 1 293.407 3.192 20 10 CGCDMO CCC[N@@H+](Cc1cccc(N(C)C)n1)Cc1ccccc1O ZINC001559571176 938229969 /nfs/dbraw/zinc/22/99/69/938229969.db2.gz MNKRMHFYEJTDJV-UHFFFAOYSA-N 1 1 299.418 3.265 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2C[C@H](O)CC(C)(C)C2)c1 ZINC001560970145 938287092 /nfs/dbraw/zinc/28/70/92/938287092.db2.gz LPVWKAWPEFAQIF-OAHLLOKOSA-N 1 1 277.408 3.108 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCc3cc(O)ccc3C2)cc1 ZINC000196271037 957705240 /nfs/dbraw/zinc/70/52/40/957705240.db2.gz IRRXDZWJIDDOKR-UHFFFAOYSA-N 1 1 282.387 3.017 20 10 CGCDMO CCc1cccc(C[N@@H+]2CCNC[C@H]2c2ccccc2)c1O ZINC001578266389 962584954 /nfs/dbraw/zinc/58/49/54/962584954.db2.gz HSQHBTYSFIUAEE-SFHVURJKSA-N 1 1 296.414 3.101 20 10 CGCDMO CCc1cccc(C[N@H+]2CCNC[C@H]2c2ccccc2)c1O ZINC001578266389 962584957 /nfs/dbraw/zinc/58/49/57/962584957.db2.gz HSQHBTYSFIUAEE-SFHVURJKSA-N 1 1 296.414 3.101 20 10 CGCDMO CC[N@@H+](Cc1ccncc1)Cc1cc(Cl)ccc1O ZINC000004676948 368555880 /nfs/dbraw/zinc/55/58/80/368555880.db2.gz XPPKLDWATMUHRS-UHFFFAOYSA-N 1 1 276.767 3.463 20 10 CGCDMO CCC[N@@H+](Cc1cccn1C)Cc1ccccc1O ZINC000092705070 370099414 /nfs/dbraw/zinc/09/94/14/370099414.db2.gz WSHMDJOCWQUXPC-UHFFFAOYSA-N 1 1 258.365 3.143 20 10 CGCDMO C[C@H]([NH2+]C[C@]1(C)CCCS1)c1ccc(F)cc1O ZINC000133979679 371294454 /nfs/dbraw/zinc/29/44/54/371294454.db2.gz LTNQGNJOVJRGDS-HZMBPMFUSA-N 1 1 269.385 3.468 20 10 CGCDMO COCCc1cc[nH+]c(N[C@@H](C)c2cc(C)ccc2O)c1 ZINC000287678317 371692728 /nfs/dbraw/zinc/69/27/28/371692728.db2.gz WCRULPOFYWTIEJ-ZDUSSCGKSA-N 1 1 286.375 3.458 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCC[C@H]1CF ZINC000293920192 372524733 /nfs/dbraw/zinc/52/47/33/372524733.db2.gz GPPRIGMQVCGOFX-ZDUSSCGKSA-N 1 1 259.324 3.479 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+](C)C[C@H]2CCCOC2)c1O ZINC000180070215 373961126 /nfs/dbraw/zinc/96/11/26/373961126.db2.gz XWCVZLXQYYSVIY-GFCCVEGCSA-N 1 1 283.799 3.212 20 10 CGCDMO COc1cc(O)c(C[N@H+]2C[C@H](C)CC[C@@H]2C)cc1OC ZINC000180310543 373988135 /nfs/dbraw/zinc/98/81/35/373988135.db2.gz CEFPVEQPPKEKEV-NEPJUHHUSA-N 1 1 279.380 3.030 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCS[C@H](C)CC2)c1O ZINC000192172095 375705940 /nfs/dbraw/zinc/70/59/40/375705940.db2.gz LPLGBOXKYLYOLP-SNVBAGLBSA-N 1 1 297.395 3.061 20 10 CGCDMO CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000221913608 376223635 /nfs/dbraw/zinc/22/36/35/376223635.db2.gz QTMWHPDOBKXVQK-OAHLLOKOSA-N 1 1 277.456 3.134 20 10 CGCDMO CC(C)[N@H+](C)CCCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000221913608 376223638 /nfs/dbraw/zinc/22/36/38/376223638.db2.gz QTMWHPDOBKXVQK-OAHLLOKOSA-N 1 1 277.456 3.134 20 10 CGCDMO CC(C)[N@@H+](C)CCCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000221913608 376223640 /nfs/dbraw/zinc/22/36/40/376223640.db2.gz QTMWHPDOBKXVQK-OAHLLOKOSA-N 1 1 277.456 3.134 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000228172648 376431065 /nfs/dbraw/zinc/43/10/65/376431065.db2.gz FXFVEVNCMHOBHV-SWLSCSKDSA-N 1 1 261.365 3.165 20 10 CGCDMO C[C@]1(O)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000271220069 378483569 /nfs/dbraw/zinc/48/35/69/378483569.db2.gz OSMJLIMNFFZJAO-SFHVURJKSA-N 1 1 283.371 3.016 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)CCc2nccs2)cc1F ZINC000271222856 378484290 /nfs/dbraw/zinc/48/42/90/378484290.db2.gz PNDXNLUQFWRAAJ-UHFFFAOYSA-N 1 1 293.411 3.023 20 10 CGCDMO Cc1cccc(C[N@H+](C)[C@H](CCO)c2ccccc2)c1O ZINC000271880343 378510524 /nfs/dbraw/zinc/51/05/24/378510524.db2.gz VAMUFCGKPOQFGO-QGZVFWFLSA-N 1 1 285.387 3.256 20 10 CGCDMO C[C@@H]([NH2+]Cc1cccc(N(C)C)c1)c1ccc(F)cc1O ZINC000273361008 378742614 /nfs/dbraw/zinc/74/26/14/378742614.db2.gz AGYPKMVOQHXNNR-GFCCVEGCSA-N 1 1 288.366 3.448 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)[C@@H]1CCCCO1 ZINC000273469413 378749012 /nfs/dbraw/zinc/74/90/12/378749012.db2.gz JJCNVGVABFCDCI-RWSFTLGLSA-N 1 1 267.344 3.140 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]2c2ncc[nH]2)cc1C ZINC000375344286 379493292 /nfs/dbraw/zinc/49/32/92/379493292.db2.gz CSXWOZGRYLROJM-AWEZNQCLSA-N 1 1 271.364 3.069 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+](C)CCCSC)c1O ZINC000281308646 379828385 /nfs/dbraw/zinc/82/83/85/379828385.db2.gz QFKKMGNYBWBTRB-UHFFFAOYSA-N 1 1 289.828 3.239 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1c(F)cncc1F ZINC000285455552 380148282 /nfs/dbraw/zinc/14/82/82/380148282.db2.gz JJDNWXONUBRDNB-SNVBAGLBSA-N 1 1 290.313 3.146 20 10 CGCDMO CC[C@H]([NH2+]Cc1ccnc(OC)c1)c1ccc(F)cc1O ZINC000285545491 380150198 /nfs/dbraw/zinc/15/01/98/380150198.db2.gz GEECOYHHNPESEZ-AWEZNQCLSA-N 1 1 290.338 3.176 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(F)cc1O ZINC000285518118 380151064 /nfs/dbraw/zinc/15/10/64/380151064.db2.gz BAYBGSMUGNCNBI-JSGCOSHPSA-N 1 1 267.344 3.141 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000365624084 382290677 /nfs/dbraw/zinc/29/06/77/382290677.db2.gz SITTXTURUONFQG-DLBZAZTESA-N 1 1 287.403 3.234 20 10 CGCDMO CC[C@@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1ccc(C)cc1O ZINC000366442027 382309125 /nfs/dbraw/zinc/30/91/25/382309125.db2.gz DVCLXTVWIVYVKX-DZGCQCFKSA-N 1 1 285.391 3.022 20 10 CGCDMO CC[C@@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1ccc(C)cc1O ZINC000366442029 382309488 /nfs/dbraw/zinc/30/94/88/382309488.db2.gz DVCLXTVWIVYVKX-UKRRQHHQSA-N 1 1 285.391 3.022 20 10 CGCDMO COc1cccc(C[N@H+]2CCc3cccc(F)c3C2)c1O ZINC000093454287 392237776 /nfs/dbraw/zinc/23/77/76/392237776.db2.gz XXSGZHDJXLHMBW-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO COc1cccc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c1O ZINC000093690198 392239041 /nfs/dbraw/zinc/23/90/41/392239041.db2.gz RGJKEMJLBZWVGY-ZFWWWQNUSA-N 1 1 293.432 3.261 20 10 CGCDMO CCSCC[C@H](C)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000093871055 392241099 /nfs/dbraw/zinc/24/10/99/392241099.db2.gz NQIUSTUKTTYKAO-NSHDSACASA-N 1 1 297.420 3.084 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000372176462 392591926 /nfs/dbraw/zinc/59/19/26/392591926.db2.gz SESAFGJLLRIVJM-JKSUJKDBSA-N 1 1 297.398 3.404 20 10 CGCDMO Cc1ccc([C@@H](C)[NH2+]CCCN2CCC(C)CC2)c(O)c1 ZINC000020146357 171032473 /nfs/dbraw/zinc/03/24/73/171032473.db2.gz WEGQJJVRVNFTAT-MRXNPFEDSA-N 1 1 290.451 3.473 20 10 CGCDMO C[C@H]([NH2+]CCSC(F)(F)F)c1ccc(F)cc1O ZINC000185086334 262040250 /nfs/dbraw/zinc/04/02/50/262040250.db2.gz XYKMXNFYKBXCOR-ZETCQYMHSA-N 1 1 283.290 3.435 20 10 CGCDMO CC[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccccc1O ZINC000186118539 262079867 /nfs/dbraw/zinc/07/98/67/262079867.db2.gz GXAHGBLPNKQFHA-QGZVFWFLSA-N 1 1 288.435 3.307 20 10 CGCDMO C[C@@H]([NH2+]CCCc1ccccn1)c1ccc(F)cc1O ZINC000186140656 262081844 /nfs/dbraw/zinc/08/18/44/262081844.db2.gz BHDAHCMDUXISLF-GFCCVEGCSA-N 1 1 274.339 3.210 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1O ZINC000367689370 267109821 /nfs/dbraw/zinc/10/98/21/267109821.db2.gz UXCXDEFYVJWUJM-HOTGVXAUSA-N 1 1 289.419 3.339 20 10 CGCDMO C[C@H]1COCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000370183744 267296962 /nfs/dbraw/zinc/29/69/62/267296962.db2.gz LXYRBUYDILTHLP-MRXNPFEDSA-N 1 1 288.435 3.145 20 10 CGCDMO CC(C)(C)N1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000296996131 275512894 /nfs/dbraw/zinc/51/28/94/275512894.db2.gz SMJAOHGFKWQSFB-OAHLLOKOSA-N 1 1 288.435 3.232 20 10 CGCDMO CSCCC[N@@H+](C)Cc1cc(C)c(C)cc1O ZINC000281122117 328238841 /nfs/dbraw/zinc/23/88/41/328238841.db2.gz CDBATPFJIRWKBY-UHFFFAOYSA-N 1 1 253.411 3.194 20 10 CGCDMO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000378492627 329052627 /nfs/dbraw/zinc/05/26/27/329052627.db2.gz HIELIZQSIDYXRH-GFCCVEGCSA-N 1 1 278.352 3.325 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1nccs1 ZINC000378492627 329052628 /nfs/dbraw/zinc/05/26/28/329052628.db2.gz HIELIZQSIDYXRH-GFCCVEGCSA-N 1 1 278.352 3.325 20 10 CGCDMO COc1ccccc1[C@@H](C)[NH2+]Cc1cccc(F)c1O ZINC000164933963 331305481 /nfs/dbraw/zinc/30/54/81/331305481.db2.gz FRDZBSFSLKQREI-LLVKDONJSA-N 1 1 275.323 3.391 20 10 CGCDMO Cc1c2ccccc2n(C)c1CNc1[nH]c2ccccc2[nH+]1 ZINC000490087853 332080739 /nfs/dbraw/zinc/08/07/39/332080739.db2.gz OIKHOGRRCFJUEZ-UHFFFAOYSA-N 1 1 290.370 3.397 20 10 CGCDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000292986692 520116536 /nfs/dbraw/zinc/11/65/36/520116536.db2.gz FSJQPNNOKNRKPD-QGZVFWFLSA-N 1 1 290.451 3.310 20 10 CGCDMO CCC[N@H+](Cc1nnc(C(C)C)o1)Cc1ccccc1O ZINC000076293254 521696205 /nfs/dbraw/zinc/69/62/05/521696205.db2.gz BVVKRVRMBSATSY-UHFFFAOYSA-N 1 1 289.379 3.311 20 10 CGCDMO CCC[N@@H+](Cc1nnc(C(C)C)o1)Cc1ccccc1O ZINC000076293254 521696208 /nfs/dbraw/zinc/69/62/08/521696208.db2.gz BVVKRVRMBSATSY-UHFFFAOYSA-N 1 1 289.379 3.311 20 10 CGCDMO CC[C@@H](CSC)[N@H+](C)Cc1cccc(F)c1O ZINC000290289146 522602811 /nfs/dbraw/zinc/60/28/11/522602811.db2.gz AEJPKFPZWAQWEK-NSHDSACASA-N 1 1 257.374 3.105 20 10 CGCDMO CC[C@@H](CSC)[N@@H+](C)Cc1cccc(F)c1O ZINC000290289146 522602819 /nfs/dbraw/zinc/60/28/19/522602819.db2.gz AEJPKFPZWAQWEK-NSHDSACASA-N 1 1 257.374 3.105 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(C)ccc2O)CCS1 ZINC000093502345 523448889 /nfs/dbraw/zinc/44/88/89/523448889.db2.gz DCTROWIHSZFZIF-CYBMUJFWSA-N 1 1 251.395 3.028 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCCO1 ZINC000096810807 524607465 /nfs/dbraw/zinc/60/74/65/524607465.db2.gz KYBFIRGPUXZVGG-ZDUSSCGKSA-N 1 1 271.360 3.156 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1C ZINC000291848043 525319448 /nfs/dbraw/zinc/31/94/48/525319448.db2.gz HKQCBVXPQVGMPX-LSDHHAIUSA-N 1 1 281.346 3.486 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000289851593 525342744 /nfs/dbraw/zinc/34/27/44/525342744.db2.gz QAOKELXIYVFSFB-MRXNPFEDSA-N 1 1 268.360 3.433 20 10 CGCDMO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1ccc(F)cc1O ZINC000290152669 525523551 /nfs/dbraw/zinc/52/35/51/525523551.db2.gz CRZWWJCYJMOKQX-NVGCLXPQSA-N 1 1 289.350 3.304 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)[C@@H](O)c1ccccc1 ZINC000290152677 525608936 /nfs/dbraw/zinc/60/89/36/525608936.db2.gz CRZWWJCYJMOKQX-XWCIJXRUSA-N 1 1 289.350 3.304 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000289730022 526328558 /nfs/dbraw/zinc/32/85/58/526328558.db2.gz HUZBZBYPIARZNV-OAHLLOKOSA-N 1 1 272.323 3.263 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000289730022 526328564 /nfs/dbraw/zinc/32/85/64/526328564.db2.gz HUZBZBYPIARZNV-OAHLLOKOSA-N 1 1 272.323 3.263 20 10 CGCDMO COc1ccc(CNCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1C ZINC000730818420 572377919 /nfs/dbraw/zinc/37/79/19/572377919.db2.gz VGLJARSVMLPJLI-HOTGVXAUSA-N 1 1 290.451 3.356 20 10 CGCDMO C[N@@H+](Cc1c(O)ccc2ccccc21)[C@@H]1CCN(C2CC2)C1 ZINC000732189355 572451351 /nfs/dbraw/zinc/45/13/51/572451351.db2.gz QRSOLZCKEFMFQN-MRXNPFEDSA-N 1 1 296.414 3.214 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)C2Cc3ccccc3C2)cc1 ZINC000733610148 572591501 /nfs/dbraw/zinc/59/15/01/572591501.db2.gz OGRJOSFABOXUJQ-UHFFFAOYSA-N 1 1 280.415 3.352 20 10 CGCDMO CCC[C@H](C(=O)OCC)[N@@H+](CCC)Cc1ccccc1O ZINC000743870689 572694305 /nfs/dbraw/zinc/69/43/05/572694305.db2.gz ZUDZOBBHNHQWCB-OAHLLOKOSA-N 1 1 293.407 3.336 20 10 CGCDMO C[N@@H+](CCc1ccccn1)Cc1cc(Cl)ccc1O ZINC000120801564 617802126 /nfs/dbraw/zinc/80/21/26/617802126.db2.gz NKFUOSCBVGVVCJ-UHFFFAOYSA-N 1 1 276.767 3.115 20 10 CGCDMO CC[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000160272022 617802929 /nfs/dbraw/zinc/80/29/29/617802929.db2.gz USBGKAQJLVJDHR-CYBMUJFWSA-N 1 1 293.407 3.422 20 10 CGCDMO COc1cc(O)c(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1OC ZINC000160367260 618024980 /nfs/dbraw/zinc/02/49/80/618024980.db2.gz RGZONUBCNUKFIR-BETUJISGSA-N 1 1 291.391 3.031 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2ccccc2)c(O)c1OC ZINC000891390684 618182556 /nfs/dbraw/zinc/18/25/56/618182556.db2.gz NZNUYVGZBXDCHW-UHFFFAOYSA-N 1 1 287.359 3.041 20 10 CGCDMO COc1ccc(C[N@@H+](C)[C@H](C)C2(C)CC2)c(O)c1OC ZINC000892217266 618600636 /nfs/dbraw/zinc/60/06/36/618600636.db2.gz CWWXHVRFPPOSCM-LLVKDONJSA-N 1 1 279.380 3.030 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1ccc(F)cc1O ZINC000310544434 618799374 /nfs/dbraw/zinc/79/93/74/618799374.db2.gz DFBJOXPBWULMLD-YGOYTEALSA-N 1 1 255.358 3.076 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])[C@@H](C)[C@@H](C)O1 ZINC000783738357 618917051 /nfs/dbraw/zinc/91/70/51/618917051.db2.gz SAAOBFOCYCNELD-OUAUKWLOSA-N 1 1 269.772 3.043 20 10 CGCDMO C[C@@H]1CN(Cc2cccc(Cl)c2[O-])[C@@H](C)[C@@H](C)O1 ZINC000783738357 618917052 /nfs/dbraw/zinc/91/70/52/618917052.db2.gz SAAOBFOCYCNELD-OUAUKWLOSA-N 1 1 269.772 3.043 20 10 CGCDMO Cc1ccncc1C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000162636853 619120325 /nfs/dbraw/zinc/12/03/25/619120325.db2.gz YDMUHPVRYWUQKD-LLVKDONJSA-N 1 1 260.312 3.086 20 10 CGCDMO Cc1cnn([C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3C)C2)c1 ZINC000840947468 619248935 /nfs/dbraw/zinc/24/89/35/619248935.db2.gz JWIVTDZQFPFBEA-SFHVURJKSA-N 1 1 298.434 3.013 20 10 CGCDMO C[C@H]1C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CS1 ZINC000840959829 619278360 /nfs/dbraw/zinc/27/83/60/619278360.db2.gz ZQRTZQJBBPWNQC-YUMQZZPRSA-N 1 1 275.776 3.168 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000894002607 619349597 /nfs/dbraw/zinc/34/95/97/619349597.db2.gz SXUXKOXMIFHMGE-CYBMUJFWSA-N 1 1 253.292 3.045 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000894002607 619349599 /nfs/dbraw/zinc/34/95/99/619349599.db2.gz SXUXKOXMIFHMGE-CYBMUJFWSA-N 1 1 253.292 3.045 20 10 CGCDMO C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000248518508 619380848 /nfs/dbraw/zinc/38/08/48/619380848.db2.gz PVYZGTHEIPMKMO-MGPQQGTHSA-N 1 1 294.414 3.302 20 10 CGCDMO Cc1ncsc1C[N@H+](C)Cc1cc(C)cc(C)c1O ZINC000178891894 619429897 /nfs/dbraw/zinc/42/98/97/619429897.db2.gz GESOWUCPVYUUME-UHFFFAOYSA-N 1 1 276.405 3.406 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c1O ZINC000894904939 619679355 /nfs/dbraw/zinc/67/93/55/619679355.db2.gz BLOSSAGVEPIJKC-WBVHZDCISA-N 1 1 287.403 3.330 20 10 CGCDMO COc1ccc(C[N@H+]2CC[C@@H](C3CCC3)C2)c(O)c1OC ZINC000894947277 619685990 /nfs/dbraw/zinc/68/59/90/619685990.db2.gz DWRSMGZPPFLZCJ-CYBMUJFWSA-N 1 1 291.391 3.031 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000895585744 619854927 /nfs/dbraw/zinc/85/49/27/619854927.db2.gz ZBRWYYFNHZXWSP-JTQLQIEISA-N 1 1 294.807 3.492 20 10 CGCDMO Cc1ccc(O)c(C[NH2+]C2CCN(CCC(C)C)CC2)c1 ZINC000895581724 619856562 /nfs/dbraw/zinc/85/65/62/619856562.db2.gz RGAXAPYLBBBFKC-UHFFFAOYSA-N 1 1 290.451 3.301 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000896532303 620022593 /nfs/dbraw/zinc/02/25/93/620022593.db2.gz UEYRSGMEEZZWRI-CYBMUJFWSA-N 1 1 288.416 3.303 20 10 CGCDMO C[C@H]([NH2+]Cc1c(O)cccc1F)C1CCSCC1 ZINC000896638918 620041738 /nfs/dbraw/zinc/04/17/38/620041738.db2.gz RWDYFPIQGDEXLC-JTQLQIEISA-N 1 1 269.385 3.153 20 10 CGCDMO C[C@@H]([NH2+]CCc1ccccn1)c1ccc(Cl)cc1O ZINC000841743476 620341432 /nfs/dbraw/zinc/34/14/32/620341432.db2.gz HNORNPPTVBXEQR-LLVKDONJSA-N 1 1 276.767 3.334 20 10 CGCDMO C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1[O-] ZINC000841744133 620345348 /nfs/dbraw/zinc/34/53/48/620345348.db2.gz FIIYFVBTWHLNMT-UBHSHLNASA-N 1 1 294.826 3.323 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1ccc(Cl)cc1O ZINC000841755293 620398780 /nfs/dbraw/zinc/39/87/80/620398780.db2.gz IXYZSNUEWRACHR-LOWVWBTDSA-N 1 1 283.799 3.247 20 10 CGCDMO Cc1cccc(O)c1C[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000897944309 620453370 /nfs/dbraw/zinc/45/33/70/620453370.db2.gz MDTKWTHGEXPVSK-UHFFFAOYSA-N 1 1 274.364 3.276 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000898516174 620595486 /nfs/dbraw/zinc/59/54/86/620595486.db2.gz NNWOETNWCKNQIR-GOEBONIOSA-N 1 1 275.392 3.031 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)c1 ZINC000903317609 621688369 /nfs/dbraw/zinc/68/83/69/621688369.db2.gz MMSKWVWBMUYUGY-TZQJONAQSA-N 1 1 289.375 3.018 20 10 CGCDMO C[C@@H]([NH2+]CCOC1CCSCC1)c1c(O)cccc1F ZINC000903444888 621757532 /nfs/dbraw/zinc/75/75/32/621757532.db2.gz FGOIVDUUKCOUCZ-LLVKDONJSA-N 1 1 299.411 3.094 20 10 CGCDMO C[C@H]([NH2+]CCOC1CCSCC1)c1ccc(F)cc1O ZINC000903446710 621758300 /nfs/dbraw/zinc/75/83/00/621758300.db2.gz RHNZJDNDHJAKEA-NSHDSACASA-N 1 1 299.411 3.094 20 10 CGCDMO C[C@H](NCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000156669701 622832689 /nfs/dbraw/zinc/83/26/89/622832689.db2.gz CQJVENBNDNTXBV-CVEARBPZSA-N 1 1 289.467 3.135 20 10 CGCDMO C[C@H](NCC[N@H+]1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000156669701 622832692 /nfs/dbraw/zinc/83/26/92/622832692.db2.gz CQJVENBNDNTXBV-CVEARBPZSA-N 1 1 289.467 3.135 20 10 CGCDMO Cc1cc(C[N@@H+]2CCOC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000046477894 622976809 /nfs/dbraw/zinc/97/68/09/622976809.db2.gz AQTVQAZHNCFBIF-ZDUSSCGKSA-N 1 1 277.408 3.219 20 10 CGCDMO C[C@H](C1CC1)[N@@H+](C)Cc1cc(Br)ccc1O ZINC000158016772 622992769 /nfs/dbraw/zinc/99/27/69/622992769.db2.gz CXXUNRFEFLCNFH-SECBINFHSA-N 1 1 284.197 3.385 20 10 CGCDMO Cc1c(C[NH2+]Cc2cccc(F)c2O)cccc1[N+](=O)[O-] ZINC000231884559 623347448 /nfs/dbraw/zinc/34/74/48/623347448.db2.gz QIYOJQJXNGJWRM-UHFFFAOYSA-N 1 1 290.294 3.038 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c1O ZINC000155094949 624425549 /nfs/dbraw/zinc/42/55/49/624425549.db2.gz QRKQOLOMXDIEGY-INIZCTEOSA-N 1 1 297.398 3.465 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)Cc2ccc(C)cc2)c1 ZINC000179563916 624666219 /nfs/dbraw/zinc/66/62/19/624666219.db2.gz RYTOZBYXBPRCDA-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cc(F)ccc1O ZINC000180135325 624721378 /nfs/dbraw/zinc/72/13/78/624721378.db2.gz QHPYWIARAWHJDX-NSHDSACASA-N 1 1 275.323 3.430 20 10 CGCDMO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(CN(C)C)CCCC2)c1 ZINC000183950005 625179674 /nfs/dbraw/zinc/17/96/74/625179674.db2.gz WIVDBQRRWXBRDN-OAHLLOKOSA-N 1 1 290.451 3.473 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2C)c1O ZINC000184672466 625261673 /nfs/dbraw/zinc/26/16/73/625261673.db2.gz YTRBYQLBCTUBBM-JTQLQIEISA-N 1 1 269.772 3.429 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C)C2)c1O ZINC000184671953 625262068 /nfs/dbraw/zinc/26/20/68/625262068.db2.gz GTUVKYOOSQSING-SNVBAGLBSA-N 1 1 269.772 3.286 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(C(C)C)c(C)cc2O)CCO1 ZINC000074068105 626086683 /nfs/dbraw/zinc/08/66/83/626086683.db2.gz YIFSOWGROWQVDV-HNNXBMFYSA-N 1 1 277.408 3.435 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000839187699 626327995 /nfs/dbraw/zinc/32/79/95/626327995.db2.gz MOJIZNXSRZFJMG-AEFFLSMTSA-N 1 1 288.435 3.144 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCOC[C@H](C)C2)cc1C(C)C ZINC000753987271 626470874 /nfs/dbraw/zinc/47/08/74/626470874.db2.gz QAWNPSIMISOMKS-CYBMUJFWSA-N 1 1 277.408 3.292 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)c1 ZINC000756342180 626694222 /nfs/dbraw/zinc/69/42/22/626694222.db2.gz OUFNZBRTVOGPHX-HUBLWGQQSA-N 1 1 291.391 3.408 20 10 CGCDMO C[C@H]([NH2+]CCOc1ccccc1F)c1ccc(F)cc1O ZINC000756373174 626697556 /nfs/dbraw/zinc/69/75/56/626697556.db2.gz UOTYLLBMSLOZAB-NSHDSACASA-N 1 1 293.313 3.400 20 10 CGCDMO CCC(CC)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000756556556 626714726 /nfs/dbraw/zinc/71/47/26/626714726.db2.gz OQZMADTXBGCTGO-LLVKDONJSA-N 1 1 279.380 3.266 20 10 CGCDMO CCC[C@H](CC)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000756681172 626726409 /nfs/dbraw/zinc/72/64/09/626726409.db2.gz HSXXRAIITAKFLY-AAEUAGOBSA-N 1 1 279.380 3.408 20 10 CGCDMO C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ccc[nH]1 ZINC000756784457 626732055 /nfs/dbraw/zinc/73/20/55/626732055.db2.gz NLITVJYYRRXMJA-IUCAKERBSA-N 1 1 266.291 3.410 20 10 CGCDMO C[C@H]([NH2+]Cc1cocn1)c1cc2c(cc1O)CCCC2 ZINC000756831323 626735919 /nfs/dbraw/zinc/73/59/19/626735919.db2.gz NNOQPLKTZRRBDF-NSHDSACASA-N 1 1 272.348 3.110 20 10 CGCDMO CCC[N@H+](Cc1ccc(N(C)C)cc1C)C1CCNCC1 ZINC000843045354 626762450 /nfs/dbraw/zinc/76/24/50/626762450.db2.gz VBXFRBXMRSSSIR-UHFFFAOYSA-N 1 1 289.467 3.025 20 10 CGCDMO CCC[N@@H+](Cc1ccc(N(C)C)cc1C)C1CCNCC1 ZINC000843045354 626762455 /nfs/dbraw/zinc/76/24/55/626762455.db2.gz VBXFRBXMRSSSIR-UHFFFAOYSA-N 1 1 289.467 3.025 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCOCC3(CCC3)C2)c1 ZINC000758972217 626868474 /nfs/dbraw/zinc/86/84/74/626868474.db2.gz DGJZDFBZZAKTDB-UHFFFAOYSA-N 1 1 275.392 3.012 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC23CCCC3)c1 ZINC000760040392 626937376 /nfs/dbraw/zinc/93/73/76/626937376.db2.gz JWIWISKFOIYEGQ-XHDPSFHLSA-N 1 1 289.375 3.162 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)c1O ZINC000761215598 627026244 /nfs/dbraw/zinc/02/62/44/627026244.db2.gz HAKJQUMONBNUJF-BXKDBHETSA-N 1 1 287.762 3.234 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)c1O ZINC000761215598 627026247 /nfs/dbraw/zinc/02/62/47/627026247.db2.gz HAKJQUMONBNUJF-BXKDBHETSA-N 1 1 287.762 3.234 20 10 CGCDMO Oc1ccccc1C[N@@H+](Cc1cn[nH]c1)C1CCCCC1 ZINC000768132761 627461798 /nfs/dbraw/zinc/46/17/98/627461798.db2.gz JZKQCTFEAIKNHN-UHFFFAOYSA-N 1 1 285.391 3.450 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)CCC(C)C)c(O)c1 ZINC000768263597 627471607 /nfs/dbraw/zinc/47/16/07/627471607.db2.gz VFCXTQJCRHXHPG-UHFFFAOYSA-N 1 1 251.370 3.269 20 10 CGCDMO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000768430600 627480136 /nfs/dbraw/zinc/48/01/36/627480136.db2.gz QPAZPNXHDNABCI-CQSZACIVSA-N 1 1 288.347 3.034 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000768430600 627480138 /nfs/dbraw/zinc/48/01/38/627480138.db2.gz QPAZPNXHDNABCI-CQSZACIVSA-N 1 1 288.347 3.034 20 10 CGCDMO COc1cc(C[N@@H+](C)[C@@H](C)C2(C)CC2)c(O)cc1C ZINC000768463752 627481251 /nfs/dbraw/zinc/48/12/51/627481251.db2.gz LUAGOXBIPXKYBX-LBPRGKRZSA-N 1 1 263.381 3.330 20 10 CGCDMO CC[C@@]1(C)CC[N@@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768463026 627481357 /nfs/dbraw/zinc/48/13/57/627481357.db2.gz FBRVJHMDAUXJKP-INIZCTEOSA-N 1 1 263.381 3.331 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)CC(C)(C)C)c(O)c1 ZINC000768937052 627510080 /nfs/dbraw/zinc/51/00/80/627510080.db2.gz KTPSZJZIJQOPNW-UHFFFAOYSA-N 1 1 251.370 3.269 20 10 CGCDMO COc1cccc(C[N@@H+](C)CCc2ccccc2F)c1O ZINC000769020837 627518307 /nfs/dbraw/zinc/51/83/07/627518307.db2.gz GVLQZVZMZLZULW-UHFFFAOYSA-N 1 1 289.350 3.214 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)CCC2CC2)c1 ZINC000769416570 627550564 /nfs/dbraw/zinc/55/05/64/627550564.db2.gz CAGXWCOQXZRACH-RYUDHWBXSA-N 1 1 291.391 3.408 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CCN(C)CC23CCCCC3)c1 ZINC000769548135 627565007 /nfs/dbraw/zinc/56/50/07/627565007.db2.gz FPRNODABNCTZCB-UHFFFAOYSA-N 1 1 288.435 3.151 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC3(CC3)C2)cc1F ZINC000770677082 627636838 /nfs/dbraw/zinc/63/68/38/627636838.db2.gz VQBHRWFRTDCSIJ-UHFFFAOYSA-N 1 1 262.372 3.268 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@]2(C)CCCO)cc1 ZINC000773825122 627917747 /nfs/dbraw/zinc/91/77/47/627917747.db2.gz WOJKJAGMQHITHH-SFHVURJKSA-N 1 1 290.451 3.270 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@](CC)(CO)C2)cc1 ZINC000773862878 627921312 /nfs/dbraw/zinc/92/13/12/627921312.db2.gz KGHKMBLRGGPOJV-GOSISDBHSA-N 1 1 290.451 3.127 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCOCC[C@H]2C)cc1C(C)C ZINC000774660786 628013434 /nfs/dbraw/zinc/01/34/34/628013434.db2.gz PUHDTMLFISPYIT-CQSZACIVSA-N 1 1 277.408 3.435 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cc(Cl)ccc1O ZINC000775492202 628100410 /nfs/dbraw/zinc/10/04/10/628100410.db2.gz NHVMMIUKKUCYDK-WFASDCNBSA-N 1 1 296.842 3.428 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1cc(Cl)ccc1[O-] ZINC000775492202 628100413 /nfs/dbraw/zinc/10/04/13/628100413.db2.gz NHVMMIUKKUCYDK-WFASDCNBSA-N 1 1 296.842 3.428 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H]2Cc2ccccc2)c1 ZINC000775725496 628129003 /nfs/dbraw/zinc/12/90/03/628129003.db2.gz PHLIATVWLMVRJG-MRXNPFEDSA-N 1 1 283.371 3.218 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000777439899 628270349 /nfs/dbraw/zinc/27/03/49/628270349.db2.gz QIYJIKRQKOQHSO-OAHLLOKOSA-N 1 1 295.810 3.437 20 10 CGCDMO C[N@H+](Cc1c(O)cccc1Cl)C[C@@H]1CCCC[C@H]1O ZINC000779152512 628391149 /nfs/dbraw/zinc/39/11/49/628391149.db2.gz BBSJGTUWQZBJJG-SMDDNHRTSA-N 1 1 283.799 3.029 20 10 CGCDMO C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1F ZINC000779151495 628391240 /nfs/dbraw/zinc/39/12/40/628391240.db2.gz YVBSLWLOWFANCJ-JOYOIKCWSA-N 1 1 257.736 3.226 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C[C@H]1F ZINC000779151495 628391242 /nfs/dbraw/zinc/39/12/42/628391242.db2.gz YVBSLWLOWFANCJ-JOYOIKCWSA-N 1 1 257.736 3.226 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)cc1 ZINC000780892977 628522776 /nfs/dbraw/zinc/52/27/76/628522776.db2.gz SKETXDZULFNSIS-WBVHZDCISA-N 1 1 290.451 3.126 20 10 CGCDMO Cc1cccc(C[N@@H+]2Cc3ccccc3OC[C@@H]2C)c1O ZINC000783598438 628730433 /nfs/dbraw/zinc/73/04/33/628730433.db2.gz RODRQSFHSKBSGD-AWEZNQCLSA-N 1 1 283.371 3.484 20 10 CGCDMO C[N@@H+](Cc1ccnn1-c1ccccc1)Cc1ccccc1O ZINC000790902734 629240241 /nfs/dbraw/zinc/24/02/41/629240241.db2.gz PKUXAGVCAQMWGD-UHFFFAOYSA-N 1 1 293.370 3.210 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCc1ccco1 ZINC000790947544 629242133 /nfs/dbraw/zinc/24/21/33/629242133.db2.gz PTDRNNZDKDYVKH-UHFFFAOYSA-N 1 1 269.703 3.110 20 10 CGCDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000790934635 629242252 /nfs/dbraw/zinc/24/22/52/629242252.db2.gz PVOABYWPTTUSLX-SMDDNHRTSA-N 1 1 283.799 3.171 20 10 CGCDMO C[C@H](Cc1ccco1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790948696 629242328 /nfs/dbraw/zinc/24/23/28/629242328.db2.gz DWJLCIKHDQAKLN-SECBINFHSA-N 1 1 283.730 3.499 20 10 CGCDMO C[C@H]1C[C@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000790980870 629245775 /nfs/dbraw/zinc/24/57/75/629245775.db2.gz GGTSCZQMTIWKCA-VHSXEESVSA-N 1 1 287.762 3.089 20 10 CGCDMO CCC[N@@H+](Cc1cccc(C)c1O)[C@@H](CC)C(=O)OCC ZINC000792184527 629345946 /nfs/dbraw/zinc/34/59/46/629345946.db2.gz BTDQCZSXZOWUKW-HNNXBMFYSA-N 1 1 293.407 3.254 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)CC1(F)CC1 ZINC000792759909 629378819 /nfs/dbraw/zinc/37/88/19/629378819.db2.gz HRMLCZBVSOULBY-UHFFFAOYSA-N 1 1 250.361 3.077 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1O ZINC000862473314 629384189 /nfs/dbraw/zinc/38/41/89/629384189.db2.gz NRDIWOHZLBXVDQ-KGLIPLIRSA-N 1 1 293.432 3.261 20 10 CGCDMO CCC(F)(F)C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000862489314 629389187 /nfs/dbraw/zinc/38/91/87/629389187.db2.gz HXTOHWZREQAYEG-UHFFFAOYSA-N 1 1 263.715 3.489 20 10 CGCDMO Oc1c(C[N@H+]2CCO[C@H](CCF)C2)ccc2ccccc21 ZINC000862529418 629391009 /nfs/dbraw/zinc/39/10/09/629391009.db2.gz DRCJCUHEFWSYCS-OAHLLOKOSA-N 1 1 289.350 3.106 20 10 CGCDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(F)ccc1O ZINC000793231038 629433083 /nfs/dbraw/zinc/43/30/83/629433083.db2.gz JMPKZKMJGYSETK-KWQFWETISA-N 1 1 277.261 3.304 20 10 CGCDMO Cc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1O ZINC000793230594 629433539 /nfs/dbraw/zinc/43/35/39/629433539.db2.gz GWKOFLHYQZRHTI-CMPLNLGQSA-N 1 1 273.298 3.473 20 10 CGCDMO COc1cc(O)c(C[N@@H+](CC2CC2)C2CCC2)cc1OC ZINC000793395174 629453864 /nfs/dbraw/zinc/45/38/64/629453864.db2.gz QCLDYAVGYBYBHB-UHFFFAOYSA-N 1 1 291.391 3.174 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c1O ZINC000793610721 629490386 /nfs/dbraw/zinc/49/03/86/629490386.db2.gz WTSQEKXVVCJHLD-LSDHHAIUSA-N 1 1 295.810 3.497 20 10 CGCDMO CN(C)c1cc(F)c(C[NH+]2CCC(C)(F)CC2)cc1F ZINC000864050800 629743850 /nfs/dbraw/zinc/74/38/50/629743850.db2.gz QZVCIUXIVSNLOX-UHFFFAOYSA-N 1 1 286.341 3.355 20 10 CGCDMO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000864054545 629749440 /nfs/dbraw/zinc/74/94/40/629749440.db2.gz URRKRUCOJSNPLX-YPMHNXCESA-N 1 1 298.377 3.030 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CSC[C@H]2C)c1O ZINC000796403455 629776845 /nfs/dbraw/zinc/77/68/45/629776845.db2.gz RAHHJPMDTQWCNI-AMIZOPFISA-N 1 1 299.823 3.089 20 10 CGCDMO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(N(C)C)cc1)CCO2 ZINC000796430536 629779929 /nfs/dbraw/zinc/77/99/29/629779929.db2.gz MAWIWAHDVOGJFU-UHFFFAOYSA-N 1 1 296.414 3.456 20 10 CGCDMO CC[C@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(F)cc1O ZINC000796675359 629813482 /nfs/dbraw/zinc/81/34/82/629813482.db2.gz NEUUIQZXPBKLQU-HNNXBMFYSA-N 1 1 294.414 3.446 20 10 CGCDMO CCc1cc(C[NH2+][C@@H](CC)c2ccc(F)cc2O)[nH]n1 ZINC000796758742 629827933 /nfs/dbraw/zinc/82/79/33/629827933.db2.gz FXOLOVZRVUWZRF-AWEZNQCLSA-N 1 1 277.343 3.058 20 10 CGCDMO CC[C@H]([NH2+]CC1(COC)CCC1)c1ccc(F)cc1O ZINC000796987974 629869061 /nfs/dbraw/zinc/86/90/61/629869061.db2.gz FFZFPXMTRKJZDA-AWEZNQCLSA-N 1 1 281.371 3.389 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)Cc2ccsc2)c1O ZINC000120468602 630040405 /nfs/dbraw/zinc/04/04/05/630040405.db2.gz FYCZNDNKRALFAK-UHFFFAOYSA-N 1 1 277.389 3.484 20 10 CGCDMO CO[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)[C@@H](C)C1 ZINC000799736221 630228154 /nfs/dbraw/zinc/22/81/54/630228154.db2.gz IMHZNPZMNATQNN-VHSXEESVSA-N 1 1 287.762 3.184 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)[C@@H](C)C1 ZINC000799736221 630228157 /nfs/dbraw/zinc/22/81/57/630228157.db2.gz IMHZNPZMNATQNN-VHSXEESVSA-N 1 1 287.762 3.184 20 10 CGCDMO CCCC[N@@H+](Cc1ccnc(C)n1)Cc1ccccc1O ZINC000801595238 630346780 /nfs/dbraw/zinc/34/67/80/630346780.db2.gz JUAWKLRNJRVSBI-UHFFFAOYSA-N 1 1 285.391 3.293 20 10 CGCDMO CCc1nc(NCc2ccc(N(C)C)c(F)c2)cc(C)[nH+]1 ZINC000804392219 630525715 /nfs/dbraw/zinc/52/57/15/630525715.db2.gz KDJQBQCJLOJXDG-UHFFFAOYSA-N 1 1 288.370 3.165 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1C[C@]3(CCCO3)[C@@H]1C1CC1)CCC2 ZINC000840094695 630590749 /nfs/dbraw/zinc/59/07/49/630590749.db2.gz MOXCTPACBLZVAD-RBUKOAKNSA-N 1 1 299.414 3.024 20 10 CGCDMO Cc1ccc2c(c1)C[N@H+](Cc1cccc(C)c1O)CCO2 ZINC000809703024 630787320 /nfs/dbraw/zinc/78/73/20/630787320.db2.gz CIBQTKXATUPADZ-UHFFFAOYSA-N 1 1 283.371 3.404 20 10 CGCDMO Cc1nccn1CCC[N@H+](C)Cc1cc(Cl)ccc1O ZINC000809753504 630800859 /nfs/dbraw/zinc/80/08/59/630800859.db2.gz UOBLDULSWSLAHJ-UHFFFAOYSA-N 1 1 293.798 3.073 20 10 CGCDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000809768249 630804053 /nfs/dbraw/zinc/80/40/53/630804053.db2.gz GHDWPZRIXQHBHW-NVXWUHKLSA-N 1 1 288.435 3.286 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+](C)Cc2n[nH]cc2C)cc1 ZINC000811454502 631066689 /nfs/dbraw/zinc/06/66/89/631066689.db2.gz MFBOEDDNDBSWGQ-UHFFFAOYSA-N 1 1 286.423 3.196 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2n[nH]cc2C)cc1 ZINC000811454502 631066696 /nfs/dbraw/zinc/06/66/96/631066696.db2.gz MFBOEDDNDBSWGQ-UHFFFAOYSA-N 1 1 286.423 3.196 20 10 CGCDMO CCCC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000811521079 631082963 /nfs/dbraw/zinc/08/29/63/631082963.db2.gz ZANKMIYDXQTHTJ-LLVKDONJSA-N 1 1 296.367 3.320 20 10 CGCDMO CCCC[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000811521079 631082972 /nfs/dbraw/zinc/08/29/72/631082972.db2.gz ZANKMIYDXQTHTJ-LLVKDONJSA-N 1 1 296.367 3.320 20 10 CGCDMO CC[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@H](C)OC ZINC000812303050 631236497 /nfs/dbraw/zinc/23/64/97/631236497.db2.gz KHSIDUCHBACDFO-LBPRGKRZSA-N 1 1 295.423 3.252 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC2(CCC2)[C@H]1C(C)C ZINC000814170675 631536689 /nfs/dbraw/zinc/53/66/89/631536689.db2.gz BVNPOKVQCJTNHS-MRXNPFEDSA-N 1 1 275.392 3.411 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cc1 ZINC000815102644 631717743 /nfs/dbraw/zinc/71/77/43/631717743.db2.gz LDLHZHOHEDMIPK-KDOFPFPSSA-N 1 1 288.435 3.142 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCOC[C@H]2CC2CCC2)cc1 ZINC000815293093 631754585 /nfs/dbraw/zinc/75/45/85/631754585.db2.gz WTVIMUBLMZLGRM-GOSISDBHSA-N 1 1 288.435 3.144 20 10 CGCDMO Cc1cc(C[N@H+]2CCCO[C@H](C(C)C)C2)ccc1N(C)C ZINC000815314721 631756635 /nfs/dbraw/zinc/75/66/35/631756635.db2.gz DPQOSRPVPAWETK-SFHVURJKSA-N 1 1 290.451 3.308 20 10 CGCDMO C[C@H]([NH2+]CC1CC1)c1cccc(C(F)(F)F)c1O ZINC000815557572 631793349 /nfs/dbraw/zinc/79/33/49/631793349.db2.gz XYMXGJCGLDHZHE-QMMMGPOBSA-N 1 1 259.271 3.472 20 10 CGCDMO COCC[C@@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815572959 631797821 /nfs/dbraw/zinc/79/78/21/631797821.db2.gz UCHWEMSIIMZQPV-NXEZZACHSA-N 1 1 291.313 3.487 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816483838 631990360 /nfs/dbraw/zinc/99/03/60/631990360.db2.gz HCTVTYMFPJKULO-OAHLLOKOSA-N 1 1 271.360 3.156 20 10 CGCDMO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816560732 632013784 /nfs/dbraw/zinc/01/37/84/632013784.db2.gz YOFLCCSNBRTGLP-OTYXRUKQSA-N 1 1 287.762 3.089 20 10 CGCDMO CCC[C@@]1([NH2+]Cc2cc(Cl)c(F)cc2O)CCOC1 ZINC000816608528 632023629 /nfs/dbraw/zinc/02/36/29/632023629.db2.gz BNNYTXFJDGRVKQ-CQSZACIVSA-N 1 1 287.762 3.234 20 10 CGCDMO CC[C@@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)C[C@H](CC)O1 ZINC000817364011 632131615 /nfs/dbraw/zinc/13/16/15/632131615.db2.gz BELAXBGTTLJNOL-GASCZTMLSA-N 1 1 293.407 3.099 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)C[C@H]2CCCN2C)cc1C(C)C ZINC000817378671 632134662 /nfs/dbraw/zinc/13/46/62/632134662.db2.gz XUCPKCFANIWJJJ-MRXNPFEDSA-N 1 1 290.451 3.350 20 10 CGCDMO Cc1cc(O)c(CN(C)C[C@H]2CCC[N@@H+]2C)cc1C(C)C ZINC000817378671 632134667 /nfs/dbraw/zinc/13/46/67/632134667.db2.gz XUCPKCFANIWJJJ-MRXNPFEDSA-N 1 1 290.451 3.350 20 10 CGCDMO Cc1cc(O)c(CN(C)C[C@H]2CCC[N@H+]2C)cc1C(C)C ZINC000817378671 632134668 /nfs/dbraw/zinc/13/46/68/632134668.db2.gz XUCPKCFANIWJJJ-MRXNPFEDSA-N 1 1 290.451 3.350 20 10 CGCDMO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2O)CCO1 ZINC000817586015 632191657 /nfs/dbraw/zinc/19/16/57/632191657.db2.gz KVJJWQIRWZEOOZ-WCFLWFBJSA-N 1 1 267.344 3.140 20 10 CGCDMO CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000817953543 632249004 /nfs/dbraw/zinc/24/90/04/632249004.db2.gz NLYREURUMUQOAU-NSHDSACASA-N 1 1 270.804 3.084 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1cc(Cl)ccc1[O-] ZINC000817960393 632256467 /nfs/dbraw/zinc/25/64/67/632256467.db2.gz MUCVREBNBRJFPP-MISXGVKJSA-N 1 1 282.815 3.214 20 10 CGCDMO CC[C@@H](NCC([NH3+])(CC)CC)c1ccc(N(C)C)cc1 ZINC000817961176 632257485 /nfs/dbraw/zinc/25/74/85/632257485.db2.gz YJIZORVKRYVABH-MRXNPFEDSA-N 1 1 277.456 3.311 20 10 CGCDMO C[C@H](N)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000817972694 632266188 /nfs/dbraw/zinc/26/61/88/632266188.db2.gz NUAMXZCJKIAEAL-WMLDXEAASA-N 1 1 284.403 3.003 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cc2c(cc1O)CCCC2 ZINC000818616376 632341371 /nfs/dbraw/zinc/34/13/71/632341371.db2.gz VQAALOCBEXORMP-JCURWCKSSA-N 1 1 288.435 3.192 20 10 CGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2N)c1O ZINC000818614843 632341452 /nfs/dbraw/zinc/34/14/52/632341452.db2.gz HGOSUMAMQCYKDD-LERXQTSPSA-N 1 1 282.815 3.275 20 10 CGCDMO CO[C@H](C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C)C1CC1 ZINC000822582353 632975953 /nfs/dbraw/zinc/97/59/53/632975953.db2.gz DIRCIIPWRRCDGA-GOSISDBHSA-N 1 1 290.451 3.388 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H](OC)C1CC1 ZINC000822653820 633000240 /nfs/dbraw/zinc/00/02/40/633000240.db2.gz CIWDPJOWNGAMBD-INIZCTEOSA-N 1 1 263.381 3.029 20 10 CGCDMO CCC[C@@H](CCO)[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000866415494 633128489 /nfs/dbraw/zinc/12/84/89/633128489.db2.gz WOWXMMPLHSDAAF-GXTWGEPZSA-N 1 1 269.360 3.123 20 10 CGCDMO COC(=O)CC[N@@H+](Cc1cc(Cl)c(C)cc1O)C(C)C ZINC000824809285 633294678 /nfs/dbraw/zinc/29/46/78/633294678.db2.gz SOJLUVBOALMZOQ-UHFFFAOYSA-N 1 1 299.798 3.128 20 10 CGCDMO CCOc1ccc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c(O)c1 ZINC000824941148 633308743 /nfs/dbraw/zinc/30/87/43/633308743.db2.gz JSRPWJGGZBDIKI-FUHWJXTLSA-N 1 1 287.403 3.411 20 10 CGCDMO CO[C@@H]([C@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F)C1CC1 ZINC000825099090 633328878 /nfs/dbraw/zinc/32/88/78/633328878.db2.gz ULGJUAUBOFRYSX-RTHLEPHNSA-N 1 1 287.762 3.088 20 10 CGCDMO CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825130796 633331731 /nfs/dbraw/zinc/33/17/31/633331731.db2.gz FXGNEOKZQCFFKJ-ZDUSSCGKSA-N 1 1 296.842 3.176 20 10 CGCDMO CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825130796 633331732 /nfs/dbraw/zinc/33/17/32/633331732.db2.gz FXGNEOKZQCFFKJ-ZDUSSCGKSA-N 1 1 296.842 3.176 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000825215071 633336014 /nfs/dbraw/zinc/33/60/14/633336014.db2.gz FXGZRSPRCOSJPL-HNNXBMFYSA-N 1 1 281.396 3.250 20 10 CGCDMO CCN(CC)c1ccc(C[NH2+]Cc2ncccc2OC)cc1 ZINC000825249288 633339618 /nfs/dbraw/zinc/33/96/18/633339618.db2.gz AFGTVAGXYQXYMB-UHFFFAOYSA-N 1 1 299.418 3.226 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCOCC3(CCC3)C2)cc1Cl ZINC000825513094 633360987 /nfs/dbraw/zinc/36/09/87/633360987.db2.gz BLIGTXXKZQZDSR-UHFFFAOYSA-N 1 1 295.810 3.357 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000826877929 633440143 /nfs/dbraw/zinc/44/01/43/633440143.db2.gz OJLPFCXRKBKDHA-SFHVURJKSA-N 1 1 288.435 3.062 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000827986385 633544832 /nfs/dbraw/zinc/54/48/32/633544832.db2.gz VGAZTQZVSDEUDY-KRWDZBQOSA-N 1 1 288.435 3.206 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000828905256 633668263 /nfs/dbraw/zinc/66/82/63/633668263.db2.gz MEQTXJPVGDSWLB-SJLPKXTDSA-N 1 1 288.435 3.144 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000846105140 636143752 /nfs/dbraw/zinc/14/37/52/636143752.db2.gz QJYMLGXJWNLAOK-CQSZACIVSA-N 1 1 283.318 3.022 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c1O ZINC000846117919 636147505 /nfs/dbraw/zinc/14/75/05/636147505.db2.gz SSVJPSLNMBFBIO-AWEZNQCLSA-N 1 1 283.318 3.022 20 10 CGCDMO CCCOc1ccc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)cc1C ZINC000873060772 634238637 /nfs/dbraw/zinc/23/86/37/634238637.db2.gz MYBUGNYAHSMSLR-RDJZCZTQSA-N 1 1 290.451 3.356 20 10 CGCDMO CCCOc1ccc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000873060772 634238644 /nfs/dbraw/zinc/23/86/44/634238644.db2.gz MYBUGNYAHSMSLR-RDJZCZTQSA-N 1 1 290.451 3.356 20 10 CGCDMO CCCOc1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000873060772 634238648 /nfs/dbraw/zinc/23/86/48/634238648.db2.gz MYBUGNYAHSMSLR-RDJZCZTQSA-N 1 1 290.451 3.356 20 10 CGCDMO CCCOc1ccc(C[NH2+][C@H]2CCn3ccnc32)cc1C ZINC000873129571 634252800 /nfs/dbraw/zinc/25/28/00/634252800.db2.gz RUBSTLHHHWBQMH-HNNXBMFYSA-N 1 1 285.391 3.215 20 10 CGCDMO CC[C@@H]([NH2+]Cc1ccnc(C)c1)c1ccc(F)cc1O ZINC000834859582 634258020 /nfs/dbraw/zinc/25/80/20/634258020.db2.gz DTXVVINFODBPEE-OAHLLOKOSA-N 1 1 274.339 3.476 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)c1ccc(F)cc1O ZINC000834914493 634286210 /nfs/dbraw/zinc/28/62/10/634286210.db2.gz FUGURGVMLUHWRW-SUHUHFCYSA-N 1 1 267.344 3.140 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000873271493 634313382 /nfs/dbraw/zinc/31/33/82/634313382.db2.gz HWTYPRLQHKVPTF-XHDPSFHLSA-N 1 1 296.842 3.474 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)CC2(O)CCCC2)cc1 ZINC000835025645 634324342 /nfs/dbraw/zinc/32/43/42/634324342.db2.gz IKSJECBQOJYSIY-VOTSOKGWSA-N 1 1 288.435 3.003 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)[C@H]2CCSC2)cc1 ZINC000835026361 634326454 /nfs/dbraw/zinc/32/64/54/634326454.db2.gz VQBNLNZIFRISRL-APHBUQMISA-N 1 1 276.449 3.203 20 10 CGCDMO CC[C@@H](C)[N@H+](C)CCNC/C=C\c1ccc(N(C)C)cc1 ZINC000835035407 634327696 /nfs/dbraw/zinc/32/76/96/634327696.db2.gz CPEJJZNJUWQKFQ-XITLMJRVSA-N 1 1 289.467 3.086 20 10 CGCDMO CC[C@@H](C)[N@@H+](C)CCNC/C=C\c1ccc(N(C)C)cc1 ZINC000835035407 634327701 /nfs/dbraw/zinc/32/77/01/634327701.db2.gz CPEJJZNJUWQKFQ-XITLMJRVSA-N 1 1 289.467 3.086 20 10 CGCDMO CN(C)c1ccc(C=CC[NH2+][C@H]2CCCc3c[nH]nc32)cc1 ZINC000835043097 634330413 /nfs/dbraw/zinc/33/04/13/634330413.db2.gz MVCBOZQIUOLJPF-CHYADLBTSA-N 1 1 296.418 3.156 20 10 CGCDMO COC[C@H]1CCCC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835055075 634339045 /nfs/dbraw/zinc/33/90/45/634339045.db2.gz QJULJQWNVYNDIL-HPFMTEOYSA-N 1 1 288.435 3.267 20 10 CGCDMO CC(C)[N@@H+](C)C[C@@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835055879 634339579 /nfs/dbraw/zinc/33/95/79/634339579.db2.gz OWVHYRGUTPXVRP-KXPUMZMLSA-N 1 1 289.467 3.084 20 10 CGCDMO CC(C)[N@H+](C)C[C@@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835055879 634339586 /nfs/dbraw/zinc/33/95/86/634339586.db2.gz OWVHYRGUTPXVRP-KXPUMZMLSA-N 1 1 289.467 3.084 20 10 CGCDMO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(C)cc2O)cc1 ZINC000876612751 634867420 /nfs/dbraw/zinc/86/74/20/634867420.db2.gz VWMCNFHGKLTCLE-UHFFFAOYSA-N 1 1 299.370 3.119 20 10 CGCDMO COc1cccc(OC)c1C[N@@H+](C)Cc1ccccc1O ZINC000876616532 634868460 /nfs/dbraw/zinc/86/84/60/634868460.db2.gz YXVBJMLXSMMMOT-UHFFFAOYSA-N 1 1 287.359 3.041 20 10 CGCDMO Cc1ccc(CN2CCC[N@H+](C3CCCC3)CC2)c(O)c1 ZINC000876656310 634877189 /nfs/dbraw/zinc/87/71/89/634877189.db2.gz KSKWXVZHQNRCCH-UHFFFAOYSA-N 1 1 288.435 3.151 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000102766517 634881849 /nfs/dbraw/zinc/88/18/49/634881849.db2.gz JTOJUGIFVJPNQI-OAHLLOKOSA-N 1 1 277.408 3.435 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c(O)c1 ZINC000876763304 634895699 /nfs/dbraw/zinc/89/56/99/634895699.db2.gz JXTFCCJUDZAWJB-QGZVFWFLSA-N 1 1 275.392 3.093 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000877529147 635073014 /nfs/dbraw/zinc/07/30/14/635073014.db2.gz UOHDLYFPQQLSNO-HZPDHXFCSA-N 1 1 289.419 3.339 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)C[C@@H]2CCCOC2)c(Cl)c1 ZINC000840914782 635081924 /nfs/dbraw/zinc/08/19/24/635081924.db2.gz YVDZLYKLSRNASV-LBPRGKRZSA-N 1 1 283.799 3.212 20 10 CGCDMO Cc1cc(N(C)C)ccc1CNCC1([NH+](C)C)CCCC1 ZINC000840927869 635084229 /nfs/dbraw/zinc/08/42/29/635084229.db2.gz GMLDHHRVYQFVDV-UHFFFAOYSA-N 1 1 289.467 3.025 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C)CCCO1 ZINC000840942389 635088523 /nfs/dbraw/zinc/08/85/23/635088523.db2.gz FTRYBLMHOJHYHU-QGZVFWFLSA-N 1 1 276.424 3.062 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000877603024 635107685 /nfs/dbraw/zinc/10/76/85/635107685.db2.gz CANUCXPBLFKODE-HOCLYGCPSA-N 1 1 275.392 3.092 20 10 CGCDMO Cc1ccc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c(O)c1 ZINC000877636268 635125721 /nfs/dbraw/zinc/12/57/21/635125721.db2.gz RLVHYRWRGGBNRP-UHFFFAOYSA-N 1 1 287.403 3.092 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCc3nc(C(C)C)ncc3C2)c(O)c1 ZINC000877650530 635130966 /nfs/dbraw/zinc/13/09/66/635130966.db2.gz SAZALNRPVSBBII-UHFFFAOYSA-N 1 1 297.402 3.172 20 10 CGCDMO Cc1ccc(C[N@H+]2CCc3nc(C(C)C)ncc3C2)c(O)c1 ZINC000877650530 635130974 /nfs/dbraw/zinc/13/09/74/635130974.db2.gz SAZALNRPVSBBII-UHFFFAOYSA-N 1 1 297.402 3.172 20 10 CGCDMO COc1cccc2c1C[N@@H+](Cc1c(C)cccc1O)C2 ZINC000877658780 635135339 /nfs/dbraw/zinc/13/53/39/635135339.db2.gz XJFXQHODIGJPNU-UHFFFAOYSA-N 1 1 269.344 3.225 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)c(O)c1 ZINC000877672721 635140871 /nfs/dbraw/zinc/14/08/71/635140871.db2.gz LLPHKDGDPCIIEE-ZWKOTPCHSA-N 1 1 297.398 3.399 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCCOCC1)c1ccc(Cl)cc1O ZINC000841753035 635227461 /nfs/dbraw/zinc/22/74/61/635227461.db2.gz XIUZLUZGKCQZKJ-CMPLNLGQSA-N 1 1 269.772 3.265 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)cc1C ZINC000842637212 635426134 /nfs/dbraw/zinc/42/61/34/635426134.db2.gz KYEXLARPHAALNX-HNNXBMFYSA-N 1 1 289.419 3.400 20 10 CGCDMO COC(=O)c1cc(C[N@@H+](C)Cc2ccccc2O)ccc1C ZINC000878241088 635428568 /nfs/dbraw/zinc/42/85/68/635428568.db2.gz BBKQQVZRUQYJRB-UHFFFAOYSA-N 1 1 299.370 3.119 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cccc(C(F)(F)F)c1O ZINC000842926738 635513626 /nfs/dbraw/zinc/51/36/26/635513626.db2.gz BFSGBHUFTFUJNC-UTLUCORTSA-N 1 1 289.297 3.239 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000843417595 635663077 /nfs/dbraw/zinc/66/30/77/635663077.db2.gz VECNVZGKFCDYHN-IUODEOHRSA-N 1 1 295.810 3.437 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000843419536 635664477 /nfs/dbraw/zinc/66/44/77/635664477.db2.gz XDVCEVAMNIBHPJ-GOSISDBHSA-N 1 1 295.430 3.446 20 10 CGCDMO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000844724824 635957598 /nfs/dbraw/zinc/95/75/98/635957598.db2.gz FGJSOKPGIQSODY-CABCVRRESA-N 1 1 293.407 3.099 20 10 CGCDMO CCOc1ccc(C[N@H+]2C[C@@H](CC)OC[C@H]2CC)c(O)c1 ZINC000846027786 636132234 /nfs/dbraw/zinc/13/22/34/636132234.db2.gz QVAZJDVLORYSQQ-HUUCEWRRSA-N 1 1 293.407 3.180 20 10 CGCDMO COc1cccc([C@@H](C)[NH2+][C@H]2CCCC2(F)F)c1O ZINC000846172670 636153102 /nfs/dbraw/zinc/15/31/02/636153102.db2.gz OEQHPHXVNKAJPO-SKDRFNHKSA-N 1 1 271.307 3.239 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@](C)(O)C2)cc1F ZINC000129468742 636266584 /nfs/dbraw/zinc/26/65/84/636266584.db2.gz LJHGLTRBEALARS-KRWDZBQOSA-N 1 1 294.414 3.019 20 10 CGCDMO Cc1noc(C)c1[C@@H](C)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000883074273 636529540 /nfs/dbraw/zinc/52/95/40/636529540.db2.gz RXVUIIGCQYZEMG-QMMMGPOBSA-N 1 1 296.317 3.169 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1O ZINC000848889825 636678152 /nfs/dbraw/zinc/67/81/52/636678152.db2.gz MVPGTWRSCNELEL-YOEHRIQHSA-N 1 1 299.418 3.234 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@](CO)(C(C)C)C2)c1O ZINC000848913637 636689101 /nfs/dbraw/zinc/68/91/01/636689101.db2.gz CXEIOXQJJPXNLF-SFHVURJKSA-N 1 1 291.435 3.185 20 10 CGCDMO CCN(C)c1ccc([C@H](C)[NH2+]CC(C)(C)CN(C)C)cc1 ZINC000132117804 636782914 /nfs/dbraw/zinc/78/29/14/636782914.db2.gz KIJOKPLFAPEVGL-HNNXBMFYSA-N 1 1 291.483 3.381 20 10 CGCDMO CCN(C)c1ccc([C@H](C)NCC(C)(C)C[NH+](C)C)cc1 ZINC000132117804 636782923 /nfs/dbraw/zinc/78/29/23/636782923.db2.gz KIJOKPLFAPEVGL-HNNXBMFYSA-N 1 1 291.483 3.381 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)c1 ZINC000132740051 636833905 /nfs/dbraw/zinc/83/39/05/636833905.db2.gz DUIWVBZFTIWKBB-GXTWGEPZSA-N 1 1 263.381 3.411 20 10 CGCDMO Cn1c[nH+]cc1CCCSc1ncc(Cl)s1 ZINC000850002210 636926075 /nfs/dbraw/zinc/92/60/75/636926075.db2.gz WJSYYRCYUSTERU-UHFFFAOYSA-N 1 1 273.814 3.255 20 10 CGCDMO CC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C1CC1 ZINC000850381319 637040177 /nfs/dbraw/zinc/04/01/77/637040177.db2.gz AWYPRGMGJGVQPN-LLVKDONJSA-N 1 1 257.736 3.463 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000850393254 637045380 /nfs/dbraw/zinc/04/53/80/637045380.db2.gz QMWWJMLKSQSPLH-PTEHBNRSSA-N 1 1 296.208 3.351 20 10 CGCDMO C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1cc(F)cc(F)c1O ZINC000850536541 637112963 /nfs/dbraw/zinc/11/29/63/637112963.db2.gz KZMVBLBPNFZSOP-MADCSZMMSA-N 1 1 277.261 3.366 20 10 CGCDMO C[N@@H+](CCSC(F)(F)F)Cc1ccccc1O ZINC000886065870 637397203 /nfs/dbraw/zinc/39/72/03/637397203.db2.gz XMEGRFZXDCLNFP-UHFFFAOYSA-N 1 1 265.300 3.077 20 10 CGCDMO CN(C)c1ccc(C[N@H+](C)Cc2cc(C3CC3)no2)cc1 ZINC000851720296 637475255 /nfs/dbraw/zinc/47/52/55/637475255.db2.gz GBJOWBJTPGUOEN-UHFFFAOYSA-N 1 1 285.391 3.250 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cc(C3CC3)no2)cc1 ZINC000851720296 637475258 /nfs/dbraw/zinc/47/52/58/637475258.db2.gz GBJOWBJTPGUOEN-UHFFFAOYSA-N 1 1 285.391 3.250 20 10 CGCDMO C[C@H]([NH2+]CCc1cccs1)c1c(O)cccc1F ZINC000886489562 637538632 /nfs/dbraw/zinc/53/86/32/637538632.db2.gz LVUDYEREBCPGAP-JTQLQIEISA-N 1 1 265.353 3.486 20 10 CGCDMO C[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1c(O)cccc1F ZINC000886508579 637545250 /nfs/dbraw/zinc/54/52/50/637545250.db2.gz FNZVIUSJRUPNHP-BONVTDFDSA-N 1 1 293.313 3.055 20 10 CGCDMO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886532886 637558767 /nfs/dbraw/zinc/55/87/67/637558767.db2.gz QGWQRQIASYBCDX-GHMZBOCLSA-N 1 1 269.360 3.386 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCCSC1)c1c(O)cccc1F ZINC000886537196 637562463 /nfs/dbraw/zinc/56/24/63/637562463.db2.gz VUMDJIJPOFKPPN-ZJUUUORDSA-N 1 1 255.358 3.078 20 10 CGCDMO C[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1c(O)cccc1F ZINC000886631667 637620135 /nfs/dbraw/zinc/62/01/35/637620135.db2.gz SYYZLXRFJKWKMC-PIGZYNQJSA-N 1 1 293.382 3.387 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1c(O)cccc1F ZINC000886638655 637623641 /nfs/dbraw/zinc/62/36/41/637623641.db2.gz ZCQDSOOZWGLBAM-KCJUWKMLSA-N 1 1 273.298 3.473 20 10 CGCDMO C[C@H]([NH2+]CC1(O)CCC(C)CC1)c1c(O)cccc1F ZINC000886640128 637625068 /nfs/dbraw/zinc/62/50/68/637625068.db2.gz SHQAVIRSKNMJRJ-BGMSHATGSA-N 1 1 281.371 3.123 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)CO)cc1 ZINC000852427057 637650649 /nfs/dbraw/zinc/65/06/49/637650649.db2.gz ZOYSTPWAXTWJQX-YJBOKZPZSA-N 1 1 290.451 3.126 20 10 CGCDMO C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1c(O)cccc1F ZINC000927159361 638848749 /nfs/dbraw/zinc/84/87/49/638848749.db2.gz NNIDWWAARIFQBL-RISCZKNCSA-N 1 1 279.355 3.284 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@@H]1CCCC2(CCC2)O1 ZINC000929975024 638965398 /nfs/dbraw/zinc/96/53/98/638965398.db2.gz CUDVEVKHUIKSGT-HNNXBMFYSA-N 1 1 275.392 3.316 20 10 CGCDMO CC[N@@H+](Cc1cc(OC)c(C)cc1O)C1CCCC1 ZINC000159864295 640075518 /nfs/dbraw/zinc/07/55/18/640075518.db2.gz WCVBBELJZAMKJE-UHFFFAOYSA-N 1 1 263.381 3.474 20 10 CGCDMO C[N@H+]1CC[C@H](CSc2ncc(C(C)(C)C)s2)C1 ZINC000187694450 640093870 /nfs/dbraw/zinc/09/38/70/640093870.db2.gz BDGKLFUKKQTYQU-JTQLQIEISA-N 1 1 270.467 3.484 20 10 CGCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)CCC3)CCS1 ZINC000083630646 640598743 /nfs/dbraw/zinc/59/87/43/640598743.db2.gz XCAZLEZSNYJTCD-UHFFFAOYSA-N 1 1 277.433 3.208 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H](C)CO1 ZINC000245541648 640625691 /nfs/dbraw/zinc/62/56/91/640625691.db2.gz OOXKRSAQVAQPOT-JKSUJKDBSA-N 1 1 288.435 3.286 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCS[C@@H](C)[C@H]2C)cc1C ZINC000246449081 640675478 /nfs/dbraw/zinc/67/54/78/640675478.db2.gz VKFSDYAAPXYQAJ-OLZOCXBDSA-N 1 1 265.422 3.335 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)CC2CCCC2)c1 ZINC000092667402 640742392 /nfs/dbraw/zinc/74/23/92/640742392.db2.gz KIMDICSUBKMNTO-UHFFFAOYSA-N 1 1 263.381 3.413 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCOC[C@H]2CC(C)C)c1 ZINC000093340294 640769066 /nfs/dbraw/zinc/76/90/66/640769066.db2.gz NWTUKAUNPQKRNF-OAHLLOKOSA-N 1 1 293.407 3.038 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCS1 ZINC000093502189 640774443 /nfs/dbraw/zinc/77/44/43/640774443.db2.gz GFJYNUVZLFPUJR-LBPRGKRZSA-N 1 1 271.813 3.373 20 10 CGCDMO CCC[NH+]1CCC(C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000113335906 640976133 /nfs/dbraw/zinc/97/61/33/640976133.db2.gz SJMIBWOIRFPOQY-UHFFFAOYSA-N 1 1 296.842 3.257 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)C1CCSCC1 ZINC001255094380 806540984 /nfs/dbraw/zinc/54/09/84/806540984.db2.gz VPMDTCNPBYVMAQ-UHFFFAOYSA-N 1 1 251.395 3.110 20 10 CGCDMO C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(Br)c2O)C1 ZINC000161296652 799079085 /nfs/dbraw/zinc/07/90/85/799079085.db2.gz RMSZWHDIHKMYFU-NXEZZACHSA-N 1 1 284.197 3.385 20 10 CGCDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000161296652 799079093 /nfs/dbraw/zinc/07/90/93/799079093.db2.gz RMSZWHDIHKMYFU-NXEZZACHSA-N 1 1 284.197 3.385 20 10 CGCDMO CC[N@@H+](Cc1cc(OC)ccc1O)CC(C)(C)C ZINC000386089087 799432200 /nfs/dbraw/zinc/43/22/00/799432200.db2.gz IBINYLGQBDMSCS-UHFFFAOYSA-N 1 1 251.370 3.269 20 10 CGCDMO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCC2(F)F)c1 ZINC000397990414 799524209 /nfs/dbraw/zinc/52/42/09/799524209.db2.gz IGWQQZJSSWBCSK-RNCFNFMXSA-N 1 1 271.307 3.239 20 10 CGCDMO CCOc1cccc(C[N@@H+](C[C@@H](C)OC)C(C)C)c1O ZINC000688107037 799744840 /nfs/dbraw/zinc/74/48/40/799744840.db2.gz SIRRBSCAUBEBOR-CYBMUJFWSA-N 1 1 281.396 3.036 20 10 CGCDMO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1cscn1 ZINC000697821813 799849623 /nfs/dbraw/zinc/84/96/23/799849623.db2.gz PDUAVZZJXUJTMI-RKDXNWHRSA-N 1 1 266.341 3.400 20 10 CGCDMO CC[C@H](C)[N@@H+](C)Cc1c(O)cccc1Br ZINC000707129670 799973058 /nfs/dbraw/zinc/97/30/58/799973058.db2.gz OWLKDVJUVOCFOL-VIFPVBQESA-N 1 1 272.186 3.385 20 10 CGCDMO C[C@H]1CCC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708548457 799992454 /nfs/dbraw/zinc/99/24/54/799992454.db2.gz FUTLILOKGBVNJR-CABZTGNLSA-N 1 1 255.308 3.339 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CF)C2)c1O ZINC000711501227 800064805 /nfs/dbraw/zinc/06/48/05/800064805.db2.gz ZETDTIZOWYRTKW-JTQLQIEISA-N 1 1 287.762 3.236 20 10 CGCDMO C[NH+](C)C1(C)CCC([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000715582302 800140402 /nfs/dbraw/zinc/14/04/02/800140402.db2.gz ZEBUFEKODCQDGX-UHFFFAOYSA-N 1 1 296.842 3.398 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)c1ccc(F)cc1O ZINC000722337586 800315952 /nfs/dbraw/zinc/31/59/52/800315952.db2.gz NINYMTXAOXKBKC-YNZJMPHRSA-N 1 1 279.355 3.140 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)CC1(SC)CC1 ZINC000809556762 800446260 /nfs/dbraw/zinc/44/62/60/800446260.db2.gz JYDCGHUYPTZUPM-UHFFFAOYSA-N 1 1 265.422 3.500 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)[C@H](C)C1 ZINC001116908975 802427980 /nfs/dbraw/zinc/42/79/80/802427980.db2.gz MKWXFBOLPFWGNB-QAPCUYQASA-N 1 1 288.435 3.286 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1ccc(F)cc1[O-] ZINC001117139604 802437476 /nfs/dbraw/zinc/43/74/76/802437476.db2.gz OHCNBLOHMNLOPY-CZUORRHYSA-N 1 1 294.414 3.304 20 10 CGCDMO Cc1cc(C)c(C[N@H+](C)Cc2ccc(N(C)C)cc2)[nH]1 ZINC001137332363 803718233 /nfs/dbraw/zinc/71/82/33/803718233.db2.gz QZHHGUMLQCLJBZ-UHFFFAOYSA-N 1 1 271.408 3.330 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1CCCC(F)(F)CC1 ZINC001137831847 803776836 /nfs/dbraw/zinc/77/68/36/803776836.db2.gz PRIRGUSZLKPDEW-UHFFFAOYSA-N 1 1 259.271 3.153 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1CCCC(F)(F)CC1 ZINC001137831847 803776841 /nfs/dbraw/zinc/77/68/41/803776841.db2.gz PRIRGUSZLKPDEW-UHFFFAOYSA-N 1 1 259.271 3.153 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1c([O-])cccc1F ZINC001137839810 803779616 /nfs/dbraw/zinc/77/96/16/803779616.db2.gz KYJYQVMXCKZAQK-UHFFFAOYSA-N 1 1 275.323 3.259 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)Cc1c(O)cccc1F ZINC001137839810 803779621 /nfs/dbraw/zinc/77/96/21/803779621.db2.gz KYJYQVMXCKZAQK-UHFFFAOYSA-N 1 1 275.323 3.259 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1c(O)cccc1F ZINC001137839810 803779629 /nfs/dbraw/zinc/77/96/29/803779629.db2.gz KYJYQVMXCKZAQK-UHFFFAOYSA-N 1 1 275.323 3.259 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@H](O)CC2)c(C)n1-c1ccccc1 ZINC001137854287 803786389 /nfs/dbraw/zinc/78/63/89/803786389.db2.gz PNUKLCIDUARWPN-IBGZPJMESA-N 1 1 298.430 3.441 20 10 CGCDMO OC[C@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001138214031 803874393 /nfs/dbraw/zinc/87/43/93/803874393.db2.gz NIZHYPJOWWLJSZ-GOSISDBHSA-N 1 1 288.435 3.024 20 10 CGCDMO Cc1c(C[N@H+](CCCO)C(C)C)c2ccccc2n1C ZINC001138256930 803882606 /nfs/dbraw/zinc/88/26/06/803882606.db2.gz PTLOTEXSSXILJB-UHFFFAOYSA-N 1 1 274.408 3.080 20 10 CGCDMO Cc1c(C[N@@H+](C)Cc2cnc(C)nc2)c2ccccc2n1C ZINC001138257928 803885418 /nfs/dbraw/zinc/88/54/18/803885418.db2.gz DMSWOACNMRLRGS-UHFFFAOYSA-N 1 1 294.402 3.217 20 10 CGCDMO CN1CCCc2cc(C[N@@H+]3CC[C@](C)(F)[C@H](F)C3)ccc21 ZINC001138354613 803900071 /nfs/dbraw/zinc/90/00/71/803900071.db2.gz PESJRLXTMKDVSC-SJORKVTESA-N 1 1 294.389 3.341 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CC[C@](C)(F)[C@H](F)C3)ccc21 ZINC001138354613 803900079 /nfs/dbraw/zinc/90/00/79/803900079.db2.gz PESJRLXTMKDVSC-SJORKVTESA-N 1 1 294.389 3.341 20 10 CGCDMO CN1CCCc2cc(C[N@@H+](C)Cc3ccccc3O)ccc21 ZINC001138356967 803900629 /nfs/dbraw/zinc/90/06/29/803900629.db2.gz WLOXBQAFQPLPLS-UHFFFAOYSA-N 1 1 296.414 3.407 20 10 CGCDMO CN1CCCc2cc(C[N@@H+]3CC[C@@](C)(F)[C@@H](F)C3)ccc21 ZINC001138354610 803900805 /nfs/dbraw/zinc/90/08/05/803900805.db2.gz PESJRLXTMKDVSC-DLBZAZTESA-N 1 1 294.389 3.341 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CC[C@@](C)(F)[C@@H](F)C3)ccc21 ZINC001138354610 803900814 /nfs/dbraw/zinc/90/08/14/803900814.db2.gz PESJRLXTMKDVSC-DLBZAZTESA-N 1 1 294.389 3.341 20 10 CGCDMO CCC(=O)Oc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1 ZINC001138965252 804089295 /nfs/dbraw/zinc/08/92/95/804089295.db2.gz LOVQGLAKELZNQB-UHFFFAOYSA-N 1 1 299.370 3.340 20 10 CGCDMO Cc1cc(C[N@H+]2CC(C)(C)C[C@]2(C)CO)ccc1N(C)C ZINC001139669590 804244971 /nfs/dbraw/zinc/24/49/71/804244971.db2.gz CAMRGBWBCZILQV-GOSISDBHSA-N 1 1 290.451 3.044 20 10 CGCDMO Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)ccc1N(C)C ZINC001139669961 804247532 /nfs/dbraw/zinc/24/75/32/804247532.db2.gz RMSUKVPAAXYRBR-IYBDPMFKSA-N 1 1 258.409 3.293 20 10 CGCDMO C[N@H+](Cc1nc2ccccc2o1)Cc1cc(F)ccc1O ZINC001140058527 804364940 /nfs/dbraw/zinc/36/49/40/804364940.db2.gz FNNWHBDZYCKOGI-UHFFFAOYSA-N 1 1 286.306 3.305 20 10 CGCDMO C[N@@H+](Cc1nc2ccccc2o1)Cc1cc(F)ccc1O ZINC001140058527 804364947 /nfs/dbraw/zinc/36/49/47/804364947.db2.gz FNNWHBDZYCKOGI-UHFFFAOYSA-N 1 1 286.306 3.305 20 10 CGCDMO Oc1cccc(Br)c1C[N@H+]1CCC2(CC2)C1 ZINC001140100062 804377127 /nfs/dbraw/zinc/37/71/27/804377127.db2.gz DAIZUDRKMZHEOD-UHFFFAOYSA-N 1 1 282.181 3.141 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2c(C)ccc(C)c2O)[C@@H](C)C1 ZINC001140184675 804399282 /nfs/dbraw/zinc/39/92/82/804399282.db2.gz DPZIOOBSGZKELS-UONOGXRCSA-N 1 1 263.381 3.008 20 10 CGCDMO Cc1ccc2n[nH]c(C[N@H+]3CCc4cccc(O)c4C3)c2c1 ZINC001140333828 804416811 /nfs/dbraw/zinc/41/68/11/804416811.db2.gz SAFMVSPPOQLUSJ-UHFFFAOYSA-N 1 1 293.370 3.135 20 10 CGCDMO Cc1ccc2[nH]nc(C[N@@H+]3CCc4cccc(O)c4C3)c2c1 ZINC001140333828 804416815 /nfs/dbraw/zinc/41/68/15/804416815.db2.gz SAFMVSPPOQLUSJ-UHFFFAOYSA-N 1 1 293.370 3.135 20 10 CGCDMO Cc1ccc2[nH]nc(C[N@H+]3CCc4cccc(O)c4C3)c2c1 ZINC001140333828 804416819 /nfs/dbraw/zinc/41/68/19/804416819.db2.gz SAFMVSPPOQLUSJ-UHFFFAOYSA-N 1 1 293.370 3.135 20 10 CGCDMO Cc1ccc2n[nH]c(C[N@H+](C)Cc3ccccc3O)c2c1 ZINC001140333918 804417007 /nfs/dbraw/zinc/41/70/07/804417007.db2.gz WDVONAHQEKKZKN-UHFFFAOYSA-N 1 1 281.359 3.209 20 10 CGCDMO Cc1ccc2[nH]nc(C[N@@H+](C)Cc3ccccc3O)c2c1 ZINC001140333918 804417011 /nfs/dbraw/zinc/41/70/11/804417011.db2.gz WDVONAHQEKKZKN-UHFFFAOYSA-N 1 1 281.359 3.209 20 10 CGCDMO Cc1ccc2[nH]nc(C[N@H+](C)Cc3ccccc3O)c2c1 ZINC001140333918 804417013 /nfs/dbraw/zinc/41/70/13/804417013.db2.gz WDVONAHQEKKZKN-UHFFFAOYSA-N 1 1 281.359 3.209 20 10 CGCDMO CCCC[N@@H+](CC)Cc1ccc(N2CCOCC2)cc1F ZINC001140662242 804487476 /nfs/dbraw/zinc/48/74/76/804487476.db2.gz KRWVGDOPIKKLRZ-UHFFFAOYSA-N 1 1 294.414 3.284 20 10 CGCDMO C[N@@H+](Cc1cc[nH]c1)Cc1ccc(N2CCCC2)cc1 ZINC001140707226 804493420 /nfs/dbraw/zinc/49/34/20/804493420.db2.gz CWQYWMPARLCZFN-UHFFFAOYSA-N 1 1 269.392 3.247 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c1O ZINC001140746290 804502631 /nfs/dbraw/zinc/50/26/31/804502631.db2.gz YADLZSZMMLMDJT-CQSZACIVSA-N 1 1 298.386 3.181 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CCC[C@H](c3ccccn3)C2)c1O ZINC001140746288 804503589 /nfs/dbraw/zinc/50/35/89/804503589.db2.gz YADLZSZMMLMDJT-AWEZNQCLSA-N 1 1 298.386 3.181 20 10 CGCDMO CN(Cc1ccccc1O)[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256924428 807013391 /nfs/dbraw/zinc/01/33/91/807013391.db2.gz XBALWPIFOZAMSZ-QGZVFWFLSA-N 1 1 288.435 3.231 20 10 CGCDMO C[N@H+](Cc1ccccc1O)[C@@H]1CCCN(C2CCCC2)C1 ZINC001256924428 807013395 /nfs/dbraw/zinc/01/33/95/807013395.db2.gz XBALWPIFOZAMSZ-QGZVFWFLSA-N 1 1 288.435 3.231 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)[C@@H]1CCCN(C2CCCC2)C1 ZINC001256924428 807013401 /nfs/dbraw/zinc/01/34/01/807013401.db2.gz XBALWPIFOZAMSZ-QGZVFWFLSA-N 1 1 288.435 3.231 20 10 CGCDMO Cc1ccc(C[N@H+]2CCCC[C@H]2CN2CCCC2)c(O)c1 ZINC001140949891 804555475 /nfs/dbraw/zinc/55/54/75/804555475.db2.gz OPMJSKFKZXJIGC-KRWDZBQOSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1ccc(CN2CCCC[C@H]2C[NH+]2CCCC2)c(O)c1 ZINC001140949891 804555480 /nfs/dbraw/zinc/55/54/80/804555480.db2.gz OPMJSKFKZXJIGC-KRWDZBQOSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1ccc(C[N@H+]2CCCC(F)(F)[C@H](F)C2)c(O)c1 ZINC001140948196 804555840 /nfs/dbraw/zinc/55/58/40/804555840.db2.gz XWLRCSGURFBRBF-CYBMUJFWSA-N 1 1 273.298 3.270 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c(OC)c1 ZINC001141026660 804572827 /nfs/dbraw/zinc/57/28/27/804572827.db2.gz YOFMRVQRAZBVIE-CHWSQXEVSA-N 1 1 291.391 3.031 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)CC2CCCC2)c(OC)c1 ZINC001141028835 804575560 /nfs/dbraw/zinc/57/55/60/804575560.db2.gz BJJNUNNYKXPYKV-UHFFFAOYSA-N 1 1 279.380 3.031 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c(OC)c1 ZINC001141029175 804575899 /nfs/dbraw/zinc/57/58/99/804575899.db2.gz LEOWCPZCJWFOKC-SWLSCSKDSA-N 1 1 291.391 3.174 20 10 CGCDMO C[C@H]1CCC[N@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074595 804584717 /nfs/dbraw/zinc/58/47/17/804584717.db2.gz NJBDGIHKJCWLNW-AWEZNQCLSA-N 1 1 270.420 3.370 20 10 CGCDMO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074593 804585584 /nfs/dbraw/zinc/58/55/84/804585584.db2.gz NGLFDRVNWCKZKJ-CXAGYDPISA-N 1 1 288.410 3.318 20 10 CGCDMO CN1CCOc2cc(C[N@@H+](C)CCc3ccccc3)ccc21 ZINC001141139568 804596506 /nfs/dbraw/zinc/59/65/06/804596506.db2.gz XHNOLIWMUWHHHD-UHFFFAOYSA-N 1 1 296.414 3.190 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC001141156656 804600037 /nfs/dbraw/zinc/60/00/37/804600037.db2.gz PWDGWIDVCTTWEG-CQSZACIVSA-N 1 1 269.344 3.087 20 10 CGCDMO C[N@@H+](Cc1cc(O)ccc1O)Cc1ccccc1Cl ZINC001141158757 804600063 /nfs/dbraw/zinc/60/00/63/804600063.db2.gz MNLSFOJFHJGZQE-UHFFFAOYSA-N 1 1 277.751 3.383 20 10 CGCDMO C[N@H+](Cc1cc(O)ccc1O)Cc1ccccc1Cl ZINC001141158757 804600070 /nfs/dbraw/zinc/60/00/70/804600070.db2.gz MNLSFOJFHJGZQE-UHFFFAOYSA-N 1 1 277.751 3.383 20 10 CGCDMO COc1cccc([C@@H]2CC[N@@H+](Cc3cc(O)ccc3O)C2)c1 ZINC001141162197 804601326 /nfs/dbraw/zinc/60/13/26/804601326.db2.gz MFFKXPBAOWMBAM-CQSZACIVSA-N 1 1 299.370 3.096 20 10 CGCDMO CC[N@@H+](Cc1cccc(OC)c1)Cc1cc(O)ccc1O ZINC001141160749 804601883 /nfs/dbraw/zinc/60/18/83/804601883.db2.gz HMJIRYQFIUXTFF-UHFFFAOYSA-N 1 1 287.359 3.129 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CCC[C@H](CCO)C2)c1O ZINC001143110534 804803346 /nfs/dbraw/zinc/80/33/46/804803346.db2.gz IKMICKWDEYNUGA-CQSZACIVSA-N 1 1 291.435 3.284 20 10 CGCDMO COc1cc(F)c(F)cc1C[N@@H+](C)Cc1ccccc1O ZINC001143399732 804848172 /nfs/dbraw/zinc/84/81/72/804848172.db2.gz CSXGJLWTOLCDGS-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO C[N@H+](Cc1cc(Cl)c(C(C)(C)C)cc1O)C1COC1 ZINC001248884139 805032896 /nfs/dbraw/zinc/03/28/96/805032896.db2.gz XRKYQCRPWDYEAY-UHFFFAOYSA-N 1 1 283.799 3.174 20 10 CGCDMO C[N@@H+](Cc1cc(Cl)c(C(C)(C)C)cc1O)C1COC1 ZINC001248884139 805032903 /nfs/dbraw/zinc/03/29/03/805032903.db2.gz XRKYQCRPWDYEAY-UHFFFAOYSA-N 1 1 283.799 3.174 20 10 CGCDMO CC(C)(C)c1cc(O)c(C[N@H+]2CC[C@@H](CO)C2)cc1Cl ZINC001248883463 805033138 /nfs/dbraw/zinc/03/31/38/805033138.db2.gz HYPMDOCVVZZJBK-LLVKDONJSA-N 1 1 297.826 3.157 20 10 CGCDMO C[N@H+](Cc1cc(F)c(F)cc1O)CC1(O)CCCCCC1 ZINC001181055163 810034093 /nfs/dbraw/zinc/03/40/93/810034093.db2.gz KKTNXUDOGXVYAH-UHFFFAOYSA-N 1 1 299.361 3.188 20 10 CGCDMO C[N@@H+](Cc1cc(F)c(F)cc1O)CC1(O)CCCCCC1 ZINC001181055163 810034096 /nfs/dbraw/zinc/03/40/96/810034096.db2.gz KKTNXUDOGXVYAH-UHFFFAOYSA-N 1 1 299.361 3.188 20 10 CGCDMO OCCC1([NH2+]Cc2ccc(Cl)cc2O)CCCCC1 ZINC001183663027 810156603 /nfs/dbraw/zinc/15/66/03/810156603.db2.gz VCHIZWMTMCXFOJ-UHFFFAOYSA-N 1 1 283.799 3.221 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@@H]3[C@H](C2)C3(F)F)ccc1N(C)C ZINC001192387259 810792376 /nfs/dbraw/zinc/79/23/76/810792376.db2.gz BIHJBJMEJUMMAF-KGLIPLIRSA-N 1 1 280.362 3.148 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)CCC(F)(F)F)cc1 ZINC001202356318 812071900 /nfs/dbraw/zinc/07/19/00/812071900.db2.gz UNMRFHMLVVTSQY-UHFFFAOYSA-N 1 1 260.303 3.137 20 10 CGCDMO CCCCN1CCC([N@H+](C)Cc2ccccc2O)CC1 ZINC001203562201 812394346 /nfs/dbraw/zinc/39/43/46/812394346.db2.gz DXGAOBNDVLBASJ-UHFFFAOYSA-N 1 1 276.424 3.089 20 10 CGCDMO CCCCN1CCC([N@@H+](C)Cc2ccccc2O)CC1 ZINC001203562201 812394354 /nfs/dbraw/zinc/39/43/54/812394354.db2.gz DXGAOBNDVLBASJ-UHFFFAOYSA-N 1 1 276.424 3.089 20 10 CGCDMO COc1cccc(C[N@H+]2CCCC[C@@](C)(F)C2)c1O ZINC001203585620 812400328 /nfs/dbraw/zinc/40/03/28/812400328.db2.gz QUJAXHVFCZQXJC-OAHLLOKOSA-N 1 1 267.344 3.115 20 10 CGCDMO CCOc1cccc(C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)c1O ZINC001203602109 812405300 /nfs/dbraw/zinc/40/53/00/812405300.db2.gz AAJSNIOXOSFBMP-ZFWWWQNUSA-N 1 1 285.334 3.063 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@](C)(F)[C@@H](F)C2)c1O ZINC001203602109 812405303 /nfs/dbraw/zinc/40/53/03/812405303.db2.gz AAJSNIOXOSFBMP-ZFWWWQNUSA-N 1 1 285.334 3.063 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(F)cc2F)c(O)c1 ZINC001203629281 812411463 /nfs/dbraw/zinc/41/14/63/812411463.db2.gz VOTSBYRQAHYNBI-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(O)c(O)c1 ZINC001203880702 812478364 /nfs/dbraw/zinc/47/83/64/812478364.db2.gz WOPYOWUMQCSCLH-UHFFFAOYSA-N 1 1 275.323 3.259 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@]23CCOC3)cc1 ZINC001203942430 812497830 /nfs/dbraw/zinc/49/78/30/812497830.db2.gz QEZYFWKGGDTYLC-SFHVURJKSA-N 1 1 288.435 3.288 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@]3(CCCO3)C2)cc1 ZINC001203940649 812498052 /nfs/dbraw/zinc/49/80/52/812498052.db2.gz STGRHSZSGLDBOV-SFHVURJKSA-N 1 1 288.435 3.288 20 10 CGCDMO C[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001204163720 812559846 /nfs/dbraw/zinc/55/98/46/812559846.db2.gz SWSLGPWJMZHQQB-NXEZZACHSA-N 1 1 255.308 3.291 20 10 CGCDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001204163720 812559848 /nfs/dbraw/zinc/55/98/48/812559848.db2.gz SWSLGPWJMZHQQB-NXEZZACHSA-N 1 1 255.308 3.291 20 10 CGCDMO CN(C)c1ccc(C[NH+]2CC(C)(N(C)C)C2)c2ccccc21 ZINC001204242380 812582831 /nfs/dbraw/zinc/58/28/31/812582831.db2.gz OPJHRCVKTOHOGS-UHFFFAOYSA-N 1 1 297.446 3.042 20 10 CGCDMO Oc1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c(O)c1 ZINC001204278695 812594273 /nfs/dbraw/zinc/59/42/73/812594273.db2.gz IQJMXLAZWNAQOS-SWLSCSKDSA-N 1 1 261.365 3.252 20 10 CGCDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc(O)cc2O)cn1 ZINC001204279643 812595383 /nfs/dbraw/zinc/59/53/83/812595383.db2.gz DMBYYEQUPDXXDJ-MRXNPFEDSA-N 1 1 284.359 3.138 20 10 CGCDMO F[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204322568 812612457 /nfs/dbraw/zinc/61/24/57/812612457.db2.gz SCGKBZVRWYSEFV-HNNXBMFYSA-N 1 1 262.372 3.221 20 10 CGCDMO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204325121 812613406 /nfs/dbraw/zinc/61/34/06/812613406.db2.gz QXUVLYGWCHZFGS-UKRRQHHQSA-N 1 1 262.372 3.219 20 10 CGCDMO CC1(C)C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCCO1 ZINC001204327253 812613879 /nfs/dbraw/zinc/61/38/79/812613879.db2.gz NICXAZPRDMJWPY-UHFFFAOYSA-N 1 1 288.435 3.288 20 10 CGCDMO CCCC[N@@H+](CCOC)Cc1ccc(N(C)C)cc1C ZINC001204867759 812758850 /nfs/dbraw/zinc/75/88/50/812758850.db2.gz XYDUHPLVYAEJOG-UHFFFAOYSA-N 1 1 278.440 3.310 20 10 CGCDMO Cc1cc(O)c(C[N@H+](CC2CCC2)[C@H](C)CO)cc1Cl ZINC001205765491 813071511 /nfs/dbraw/zinc/07/15/11/813071511.db2.gz AZCJOGJIXMCNCO-GFCCVEGCSA-N 1 1 297.826 3.337 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCC[C@@H]1C[NH3+] ZINC001206014549 813166071 /nfs/dbraw/zinc/16/60/71/813166071.db2.gz XOAWAOPJEWDUGV-GDBMZVCRSA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCC[C@@H]1C[NH3+] ZINC001206014549 813166076 /nfs/dbraw/zinc/16/60/76/813166076.db2.gz XOAWAOPJEWDUGV-GDBMZVCRSA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CCC[C@H]1C[NH3+] ZINC001206014527 813166263 /nfs/dbraw/zinc/16/62/63/813166263.db2.gz XFAWWRQGKYMUJB-HOCLYGCPSA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CCC[C@H]1C[NH3+] ZINC001206014527 813166265 /nfs/dbraw/zinc/16/62/65/813166265.db2.gz XFAWWRQGKYMUJB-HOCLYGCPSA-N 1 1 298.430 3.352 20 10 CGCDMO CC[N@@H+](Cc1cc(C)ccn1)Cc1ccccc1O ZINC001206852551 813452907 /nfs/dbraw/zinc/45/29/07/813452907.db2.gz BIHMFHDJERKVIC-UHFFFAOYSA-N 1 1 256.349 3.118 20 10 CGCDMO Cc1cccc(CC[N@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001207536813 813591340 /nfs/dbraw/zinc/59/13/40/813591340.db2.gz PYFWIDNPGIUOJR-UHFFFAOYSA-N 1 1 297.398 3.397 20 10 CGCDMO COc1ccc(C[N@H+]2CC[C@@H](C)C[C@@H](C)C2)c(O)c1OC ZINC001207588344 813601800 /nfs/dbraw/zinc/60/18/00/813601800.db2.gz HJNBVRNEKSCHSR-CHWSQXEVSA-N 1 1 293.407 3.277 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@H](O)CC2)cc1 ZINC001209519035 814072665 /nfs/dbraw/zinc/07/26/65/814072665.db2.gz QNDMCSRHVHVOSJ-IBGZPJMESA-N 1 1 298.430 3.441 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)cc1 ZINC001209520417 814073947 /nfs/dbraw/zinc/07/39/47/814073947.db2.gz VLCBSCAOTCPDPY-RTBURBONSA-N 1 1 296.414 3.457 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)cc1 ZINC001209520417 814073955 /nfs/dbraw/zinc/07/39/55/814073955.db2.gz VLCBSCAOTCPDPY-RTBURBONSA-N 1 1 296.414 3.457 20 10 CGCDMO CCN(CC)CC[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC001231588113 818129108 /nfs/dbraw/zinc/12/91/08/818129108.db2.gz MITHXDYYTWHTGN-UHFFFAOYSA-N 1 1 286.419 3.319 20 10 CGCDMO CCN(CC)CC[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC001231588113 818129115 /nfs/dbraw/zinc/12/91/15/818129115.db2.gz MITHXDYYTWHTGN-UHFFFAOYSA-N 1 1 286.419 3.319 20 10 CGCDMO Cc1cccc(C[N@@H+]2CCC(=O)[C@H](C)C23CCCC3)c1O ZINC001231595489 818133690 /nfs/dbraw/zinc/13/36/90/818133690.db2.gz WUUABMXWZAHDPB-AWEZNQCLSA-N 1 1 287.403 3.424 20 10 CGCDMO Cc1cccc(C[N@@H+]2CC[C@@H](Oc3ccncc3C)C2)c1O ZINC001231595163 818133941 /nfs/dbraw/zinc/13/39/41/818133941.db2.gz PJYVEJLUPKAUFS-MRXNPFEDSA-N 1 1 298.386 3.057 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@H](Oc3ccncc3)C2)c1O ZINC001231595518 818134076 /nfs/dbraw/zinc/13/40/76/818134076.db2.gz XZRDUPSJNXSXJS-KRWDZBQOSA-N 1 1 298.386 3.139 20 10 CGCDMO COc1cc(C[N@@H+](C)Cc2ccccc2C)c(O)cc1O ZINC001231635485 818143934 /nfs/dbraw/zinc/14/39/34/818143934.db2.gz DCJYQJNLHPVTKA-UHFFFAOYSA-N 1 1 287.359 3.047 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@](C)(F)[C@@H](F)C2)c(O)c1 ZINC001231842196 818185877 /nfs/dbraw/zinc/18/58/77/818185877.db2.gz KQMWGXDQMUEQRS-GJZGRUSLSA-N 1 1 269.335 3.281 20 10 CGCDMO Cc1cc(C)c(C[N@@H+](C)C[C@@H]2CCCCO2)c(O)c1 ZINC001231846389 818187084 /nfs/dbraw/zinc/18/70/84/818187084.db2.gz KVRLRHXTEKYBJF-AWEZNQCLSA-N 1 1 263.381 3.010 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@H](C(F)(F)F)C2)c(O)c1 ZINC001231845643 818187801 /nfs/dbraw/zinc/18/78/01/818187801.db2.gz DYXIDOZJNZSYNK-NSHDSACASA-N 1 1 273.298 3.393 20 10 CGCDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231854216 818189321 /nfs/dbraw/zinc/18/93/21/818189321.db2.gz BXZMDWCJKQFLBU-CQSZACIVSA-N 1 1 276.424 3.383 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@](C)(O)[C@@H](C)C2)cc1Cl ZINC001231867961 818191600 /nfs/dbraw/zinc/19/16/00/818191600.db2.gz OTYCZOPBUZYWNH-LRDDRELGSA-N 1 1 297.826 3.337 20 10 CGCDMO CCCO[C@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001231870726 818193634 /nfs/dbraw/zinc/19/36/34/818193634.db2.gz QLRDIBKDVIAOHB-ZDUSSCGKSA-N 1 1 283.799 3.355 20 10 CGCDMO Cc1cc(O)c(CN2CC[N@H+]3CCCC[C@H]3C2)cc1Cl ZINC001231868712 818194084 /nfs/dbraw/zinc/19/40/84/818194084.db2.gz FJUQMLRJPGGZHZ-AWEZNQCLSA-N 1 1 294.826 3.024 20 10 CGCDMO CCN1CCC[N@@H+](Cc2ccc3ccccc3c2O)CC1 ZINC001231878553 818197929 /nfs/dbraw/zinc/19/79/29/818197929.db2.gz OQAWKHYOALLJTF-UHFFFAOYSA-N 1 1 284.403 3.073 20 10 CGCDMO COc1cc(O)c(C[N@@H+]2CCC[C@@H](OC)CC2)cc1Cl ZINC001232270057 818299657 /nfs/dbraw/zinc/29/96/57/818299657.db2.gz RIZPKLJIHQISIL-GFCCVEGCSA-N 1 1 299.798 3.055 20 10 CGCDMO CCCn1cnc(C[N@@H+](CC)Cc2ccccc2O)c1 ZINC001232799624 818444388 /nfs/dbraw/zinc/44/43/88/818444388.db2.gz PZYORXZOZWVAEO-UHFFFAOYSA-N 1 1 273.380 3.021 20 10 CGCDMO Cc1cccc2c1C[N@@H+](Cc1ccc(N(C)C)cc1O)C2 ZINC001232834952 818451708 /nfs/dbraw/zinc/45/17/08/818451708.db2.gz RQARHHUFPFSQQR-UHFFFAOYSA-N 1 1 282.387 3.282 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c(O)c1 ZINC001232835659 818452260 /nfs/dbraw/zinc/45/22/60/818452260.db2.gz FJKRPUIIWHNRKI-KBPBESRZSA-N 1 1 274.408 3.080 20 10 CGCDMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(N(C)C)cc1O ZINC001232839719 818453123 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CCOc1ccc(C[N@H+]2C[C@H](C)CC23CC3)c(O)c1 ZINC001237045935 819650122 /nfs/dbraw/zinc/65/01/22/819650122.db2.gz KLNPQJKSGYTUAM-GFCCVEGCSA-N 1 1 261.365 3.165 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2C[C@H](F)C[C@H]2C)c(O)c1 ZINC001237044940 819650182 /nfs/dbraw/zinc/65/01/82/819650182.db2.gz GAFUJEYKKDHNEX-BXUZGUMPSA-N 1 1 251.345 3.448 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2C[C@H](C)N(C)C[C@H]2C)c(O)c1 ZINC001237051864 819651840 /nfs/dbraw/zinc/65/18/40/819651840.db2.gz ODVOOTYQAMZATL-UONOGXRCSA-N 1 1 276.424 3.040 20 10 CGCDMO CC(C)c1ccc(CN2C[C@H](C)[N@H+](C)C[C@H]2C)c(O)c1 ZINC001237051864 819651841 /nfs/dbraw/zinc/65/18/41/819651841.db2.gz ODVOOTYQAMZATL-UONOGXRCSA-N 1 1 276.424 3.040 20 10 CGCDMO CC(C)c1ccc(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)c(O)c1 ZINC001237051864 819651846 /nfs/dbraw/zinc/65/18/46/819651846.db2.gz ODVOOTYQAMZATL-UONOGXRCSA-N 1 1 276.424 3.040 20 10 CGCDMO CCC[N@@H+](C)Cc1c(O)cc(OC)cc1Br ZINC001237063486 819656928 /nfs/dbraw/zinc/65/69/28/819656928.db2.gz RGGJWRLSIHYZBT-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/67/56/96/819675696.db2.gz RKXRXWGKQSLYGG-VHSXEESVSA-N 1 1 287.762 3.184 20 10 CGCDMO Oc1ccc(C(F)(F)F)cc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001237140754 819676508 /nfs/dbraw/zinc/67/65/08/819676508.db2.gz OQPAWPIJYQEGSY-UWJYBYFXSA-N 1 1 289.272 3.343 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+](C)CCCC(=O)c1cccnc1 ZINC001237487662 819762722 /nfs/dbraw/zinc/76/27/22/819762722.db2.gz JVKAPUYGKPBFTF-UHFFFAOYSA-N 1 1 298.386 3.191 20 10 CGCDMO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC2(CC2)C1 ZINC001237617217 819787541 /nfs/dbraw/zinc/78/75/41/819787541.db2.gz NOEDHGPHIWCVIR-UHFFFAOYSA-N 1 1 255.720 3.171 20 10 CGCDMO Oc1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CCC12COC2 ZINC001237648225 819796504 /nfs/dbraw/zinc/79/65/04/819796504.db2.gz YPSUWUVBHCJACP-UHFFFAOYSA-N 1 1 299.345 3.173 20 10 CGCDMO Oc1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CCC12COC2 ZINC001237648225 819796509 /nfs/dbraw/zinc/79/65/09/819796509.db2.gz YPSUWUVBHCJACP-UHFFFAOYSA-N 1 1 299.345 3.173 20 10 CGCDMO CC[C@@H]1CCC[N@@H+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237677591 819803897 /nfs/dbraw/zinc/80/38/97/819803897.db2.gz FJZCMXZLGMMCLK-GFCCVEGCSA-N 1 1 279.380 3.031 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001237939302 819886996 /nfs/dbraw/zinc/88/69/96/819886996.db2.gz AQAYLYMRHMOJLA-PELKAZGASA-N 1 1 255.720 3.169 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001237939302 819887007 /nfs/dbraw/zinc/88/70/07/819887007.db2.gz AQAYLYMRHMOJLA-PELKAZGASA-N 1 1 255.720 3.169 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CCc3ccccc3C2)c1O ZINC001238056322 819918990 /nfs/dbraw/zinc/91/89/90/819918990.db2.gz GYMABWIYLIMCPA-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc3cncn32)cc1 ZINC001238105079 819935302 /nfs/dbraw/zinc/93/53/02/819935302.db2.gz BYGKAVGTFLSDAC-UHFFFAOYSA-N 1 1 294.402 3.032 20 10 CGCDMO c1cc(N2CCCC2)ccc1CN[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001348514121 936924468 /nfs/dbraw/zinc/92/44/68/936924468.db2.gz ASYTZPUZKAUMDW-KRWDZBQOSA-N 1 1 299.462 3.051 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+](C)Cc2cnc3ccccn23)c1O ZINC001140178315 926714685 /nfs/dbraw/zinc/71/46/85/926714685.db2.gz HTWADDLABDYXRU-UHFFFAOYSA-N 1 1 295.386 3.289 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCOC[C@H]2C2CCC2)cc1 ZINC001460291690 937524840 /nfs/dbraw/zinc/52/48/40/937524840.db2.gz LEAKSGSVIAQNRI-SFHVURJKSA-N 1 1 288.435 3.144 20 10 CGCDMO COc1ccc(F)c(C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC001461667377 937590863 /nfs/dbraw/zinc/59/08/63/937590863.db2.gz WQFMVDGPTYLPET-UHFFFAOYSA-N 1 1 297.276 3.108 20 10 CGCDMO CC[C@H](C)[C@@H](C[N@@H+](C)Cc1ccc(N(C)C)cc1)OC ZINC001461838647 937601167 /nfs/dbraw/zinc/60/11/67/937601167.db2.gz OPVAOJXUQMMKLY-WMLDXEAASA-N 1 1 278.440 3.246 20 10 CGCDMO CO[C@]1(C)C[C@H]([N@H+](C)Cc2cc(F)c(F)cc2O)C1(C)C ZINC001461880596 937603620 /nfs/dbraw/zinc/60/36/20/937603620.db2.gz KATBCSVIPPUXFD-GOEBONIOSA-N 1 1 299.361 3.306 20 10 CGCDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2cc(F)c(F)cc2O)C1(C)C ZINC001461880596 937603622 /nfs/dbraw/zinc/60/36/22/937603622.db2.gz KATBCSVIPPUXFD-GOEBONIOSA-N 1 1 299.361 3.306 20 10 CGCDMO Cn1ccc(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)c1 ZINC001462207561 937625681 /nfs/dbraw/zinc/62/56/81/937625681.db2.gz UQMVMVFDCSZCKB-UHFFFAOYSA-N 1 1 283.419 3.257 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H](N3CCCC3)C2)c1 ZINC001308596541 933140191 /nfs/dbraw/zinc/14/01/91/933140191.db2.gz USTXLWMVUYKNCV-KRWDZBQOSA-N 1 1 288.435 3.186 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CC[C@H](N3CCCC3)C2)c1 ZINC001308596541 933140192 /nfs/dbraw/zinc/14/01/92/933140192.db2.gz USTXLWMVUYKNCV-KRWDZBQOSA-N 1 1 288.435 3.186 20 10 CGCDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(N(C)C)cc1C ZINC001308660497 933152208 /nfs/dbraw/zinc/15/22/08/933152208.db2.gz QBBZMVPCRJPOGP-GOEBONIOSA-N 1 1 276.424 3.060 20 10 CGCDMO CC[C@@H](CSC)[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001308747987 933169832 /nfs/dbraw/zinc/16/98/32/933169832.db2.gz QEMXDLRVZQNCHK-JTQLQIEISA-N 1 1 275.364 3.244 20 10 CGCDMO CC[C@@H](CSC)[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001308747987 933169834 /nfs/dbraw/zinc/16/98/34/933169834.db2.gz QEMXDLRVZQNCHK-JTQLQIEISA-N 1 1 275.364 3.244 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cc(C(C)C)ccc2O)C[C@@H]1C ZINC001308774965 933173642 /nfs/dbraw/zinc/17/36/42/933173642.db2.gz XAIGEMZHLZTJQD-GUYCJALGSA-N 1 1 277.408 3.372 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@](O)(C3CC3)C2)c1 ZINC001308860277 933191757 /nfs/dbraw/zinc/19/17/57/933191757.db2.gz NIFSJFRACMJFTH-GOSISDBHSA-N 1 1 289.419 3.253 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](O)[C@H]2C)cc1C(C)C ZINC001331080671 935348053 /nfs/dbraw/zinc/34/80/53/935348053.db2.gz ONWXBFMKLWBGHU-CZUORRHYSA-N 1 1 277.408 3.169 20 10 CGCDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(N)cc2)C1 ZINC001334774150 936113080 /nfs/dbraw/zinc/11/30/80/936113080.db2.gz DVPHIOAREBBFQP-DYVFJYSZSA-N 1 1 267.376 3.247 20 10 CGCDMO Nc1ccc(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC001336120440 936176951 /nfs/dbraw/zinc/17/69/51/936176951.db2.gz ZAORSBLPRMDVCK-GFCCVEGCSA-N 1 1 288.288 3.135 20 10 CGCDMO CCC[N@H+](CC(=O)OCC)Cc1cc(C(C)C)ccc1O ZINC001474329173 937851955 /nfs/dbraw/zinc/85/19/55/937851955.db2.gz BJQCIRAZBJUDQQ-UHFFFAOYSA-N 1 1 293.407 3.291 20 10 CGCDMO CCC[N@@H+](CC(=O)OCC)Cc1cc(C(C)C)ccc1O ZINC001474329173 937851957 /nfs/dbraw/zinc/85/19/57/937851957.db2.gz BJQCIRAZBJUDQQ-UHFFFAOYSA-N 1 1 293.407 3.291 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC001474368936 937854952 /nfs/dbraw/zinc/85/49/52/937854952.db2.gz CUIGGPPTAIIYCW-KGLIPLIRSA-N 1 1 278.465 3.387 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)[C@@H](CO)CC(C)C)cc1Cl ZINC001474504102 937863875 /nfs/dbraw/zinc/86/38/75/937863875.db2.gz ATONVZOZEKLWSB-CYBMUJFWSA-N 1 1 285.815 3.193 20 10 CGCDMO Cn1c[nH+]c2cc(NCc3ccc4c(c3)CCO4)ccc21 ZINC001560379064 938256218 /nfs/dbraw/zinc/25/62/18/938256218.db2.gz JRKXBKIMYFMLTM-UHFFFAOYSA-N 1 1 279.343 3.120 20 10 CGCDMO CN(C)c1ccc(/C=C\C[NH2+]Cc2ncccc2F)cc1 ZINC001560461980 938259156 /nfs/dbraw/zinc/25/91/56/938259156.db2.gz ZRCFNJZRIMZDJB-HYXAFXHYSA-N 1 1 285.366 3.090 20 10 CGCDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C[C@@H]1O ZINC001560720159 938272079 /nfs/dbraw/zinc/27/20/79/938272079.db2.gz LLXHEMNKFJLHHC-HIFRSBDPSA-N 1 1 297.826 3.275 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@]2(CO)CC(C)C)c1O ZINC001560802287 938276597 /nfs/dbraw/zinc/27/65/97/938276597.db2.gz PZFGAAJYTIKNJQ-SFHVURJKSA-N 1 1 291.435 3.328 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCCc3n[nH]cc3C2)c1 ZINC001560951265 938286178 /nfs/dbraw/zinc/28/61/78/938286178.db2.gz BYXUMGKHOVCCFV-UHFFFAOYSA-N 1 1 285.391 3.187 20 10 CGCDMO CC(C)[NH2+]CCCNCc1ccc(N2CCCCC2)cc1 ZINC001575731248 962406669 /nfs/dbraw/zinc/40/66/69/962406669.db2.gz VEJODAYSJJHITD-UHFFFAOYSA-N 1 1 289.467 3.155 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCCO1 ZINC000069009964 283297123 /nfs/dbraw/zinc/29/71/23/283297123.db2.gz ZHHLTOLPZMGBIG-HNNXBMFYSA-N 1 1 263.381 3.173 20 10 CGCDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1O ZINC000072629600 369829613 /nfs/dbraw/zinc/82/96/13/369829613.db2.gz HJWXVSNTDQHTOG-LBPRGKRZSA-N 1 1 286.331 3.493 20 10 CGCDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1O ZINC000072629601 369830494 /nfs/dbraw/zinc/83/04/94/369830494.db2.gz HJWXVSNTDQHTOG-GFCCVEGCSA-N 1 1 286.331 3.493 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCCSC1)c1ccc(F)cc1O ZINC000287151647 371612159 /nfs/dbraw/zinc/61/21/59/371612159.db2.gz STRYFLJOQUWAKO-QWRGUYRKSA-N 1 1 269.385 3.325 20 10 CGCDMO CC[C@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(F)cc1O ZINC000287539975 371671563 /nfs/dbraw/zinc/67/15/63/371671563.db2.gz PGARZQIIXWSGDD-ZFWWWQNUSA-N 1 1 281.371 3.123 20 10 CGCDMO CC(C)SCC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000287204072 371621007 /nfs/dbraw/zinc/62/10/07/371621007.db2.gz WLHKRRJTVYNUNE-SNVBAGLBSA-N 1 1 257.374 3.324 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](C3CC3)C2)cc1OC ZINC000288697900 371743204 /nfs/dbraw/zinc/74/32/04/371743204.db2.gz UICLSVLBJLRKIC-CYBMUJFWSA-N 1 1 291.391 3.031 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@]2(C)CCCO)ccc1N(C)C ZINC000293766583 372475886 /nfs/dbraw/zinc/47/58/86/372475886.db2.gz KLRSEAORWSUUGZ-GOSISDBHSA-N 1 1 290.451 3.188 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CC[C@H]1CCCCO1 ZINC000293636705 372431236 /nfs/dbraw/zinc/43/12/36/372431236.db2.gz NPCRDZVQAUDCPY-LLVKDONJSA-N 1 1 287.762 3.234 20 10 CGCDMO COC1(CC[NH2+]Cc2cc(Cl)c(F)cc2O)CCC1 ZINC000293724264 372462949 /nfs/dbraw/zinc/46/29/49/372462949.db2.gz UHNVPUSSGNJLML-UHFFFAOYSA-N 1 1 287.762 3.234 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](CC)c1ccc(F)cc1O)C(C)(C)O ZINC000294552881 372660130 /nfs/dbraw/zinc/66/01/30/372660130.db2.gz BHVYFPCXIYKJHS-GXTWGEPZSA-N 1 1 269.360 3.122 20 10 CGCDMO COC[C@]1(C)CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000295135143 372693304 /nfs/dbraw/zinc/69/33/04/372693304.db2.gz PBHIHGYFKYHYHK-CQSZACIVSA-N 1 1 287.762 3.043 20 10 CGCDMO COC[C@]1(C)CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000295135143 372693309 /nfs/dbraw/zinc/69/33/09/372693309.db2.gz PBHIHGYFKYHYHK-CQSZACIVSA-N 1 1 287.762 3.043 20 10 CGCDMO Cc1cccnc1CC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000295861493 372937022 /nfs/dbraw/zinc/93/70/22/372937022.db2.gz BNPBPNGTRDTQSV-LBPRGKRZSA-N 1 1 274.339 3.128 20 10 CGCDMO CCSCC[C@H](C)[N@@H+](C)Cc1ccccc1O ZINC000179584782 373890643 /nfs/dbraw/zinc/89/06/43/373890643.db2.gz GHPHOPCNBQEPMC-LBPRGKRZSA-N 1 1 253.411 3.356 20 10 CGCDMO CCN(Cc1ccc(N(C)C)cc1)c1cc(C)[nH+]c(C)n1 ZINC000302569072 373897574 /nfs/dbraw/zinc/89/75/74/373897574.db2.gz XYRBRSFPOQRRBR-UHFFFAOYSA-N 1 1 284.407 3.186 20 10 CGCDMO Cc1cccc(C[N@H+]2CCCC[C@H](N3CCCC3)C2)c1O ZINC000179957228 373946450 /nfs/dbraw/zinc/94/64/50/373946450.db2.gz ZURDLVGXZUZGPY-KRWDZBQOSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1cccc(CN2CCCC[C@H]([NH+]3CCCC3)C2)c1O ZINC000179957228 373946461 /nfs/dbraw/zinc/94/64/61/373946461.db2.gz ZURDLVGXZUZGPY-KRWDZBQOSA-N 1 1 288.435 3.151 20 10 CGCDMO Oc1ccc(F)cc1C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000180002687 373952734 /nfs/dbraw/zinc/95/27/34/373952734.db2.gz NMUQLMZNAZGVHG-CQSZACIVSA-N 1 1 293.363 3.166 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000180002687 373952741 /nfs/dbraw/zinc/95/27/41/373952741.db2.gz NMUQLMZNAZGVHG-CQSZACIVSA-N 1 1 293.363 3.166 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1OC ZINC000179852055 373927492 /nfs/dbraw/zinc/92/74/92/373927492.db2.gz IYSCPUPPUIWIAO-JSGCOSHPSA-N 1 1 291.391 3.174 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)Cc1cccc2nccn21 ZINC000179929285 373940187 /nfs/dbraw/zinc/94/01/87/373940187.db2.gz MMKMFBFWOATJJE-UHFFFAOYSA-N 1 1 295.386 3.452 20 10 CGCDMO C[C@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccccc1O ZINC000183517287 374422376 /nfs/dbraw/zinc/42/23/76/374422376.db2.gz YHDFCLDRRQQZLB-BBRMVZONSA-N 1 1 278.440 3.409 20 10 CGCDMO CCN1CC[C@@H]([NH2+]Cc2c(C)c3ccccc3n2C)[C@@H](C)C1 ZINC000475200319 375131578 /nfs/dbraw/zinc/13/15/78/375131578.db2.gz ZXUNAAGWJWRSBP-WMLDXEAASA-N 1 1 299.462 3.307 20 10 CGCDMO CC[N@@H+]1CC[C@@H](NCc2c(C)c3ccccc3n2C)[C@@H](C)C1 ZINC000475200319 375131582 /nfs/dbraw/zinc/13/15/82/375131582.db2.gz ZXUNAAGWJWRSBP-WMLDXEAASA-N 1 1 299.462 3.307 20 10 CGCDMO CC[N@H+]1CC[C@@H](NCc2c(C)c3ccccc3n2C)[C@@H](C)C1 ZINC000475200319 375131587 /nfs/dbraw/zinc/13/15/87/375131587.db2.gz ZXUNAAGWJWRSBP-WMLDXEAASA-N 1 1 299.462 3.307 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCc2c(F)cccc2C1 ZINC000271243994 378485847 /nfs/dbraw/zinc/48/58/47/378485847.db2.gz BNRKYMJFGHJUMQ-UHFFFAOYSA-N 1 1 257.308 3.090 20 10 CGCDMO CSCC[C@@H](C)[N@H+](C)Cc1cccc(F)c1O ZINC000272212810 378586346 /nfs/dbraw/zinc/58/63/46/378586346.db2.gz AQIHBWTYXXKZSF-SNVBAGLBSA-N 1 1 257.374 3.105 20 10 CGCDMO CSCC[C@@H](C)[N@@H+](C)Cc1cccc(F)c1O ZINC000272212810 378586349 /nfs/dbraw/zinc/58/63/49/378586349.db2.gz AQIHBWTYXXKZSF-SNVBAGLBSA-N 1 1 257.374 3.105 20 10 CGCDMO C[N@H+](Cc1cccc(F)c1O)[C@H](CCO)c1ccccc1 ZINC000272260735 378598835 /nfs/dbraw/zinc/59/88/35/378598835.db2.gz JXPOQPXGUHTSMR-MRXNPFEDSA-N 1 1 289.350 3.087 20 10 CGCDMO C[N@@H+](Cc1cccc(F)c1O)[C@H](CCO)c1ccccc1 ZINC000272260735 378598839 /nfs/dbraw/zinc/59/88/39/378598839.db2.gz JXPOQPXGUHTSMR-MRXNPFEDSA-N 1 1 289.350 3.087 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CCc2sccc2C1 ZINC000272265554 378598922 /nfs/dbraw/zinc/59/89/22/378598922.db2.gz KQRDBNJQOOEQDU-UHFFFAOYSA-N 1 1 263.337 3.151 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CCc2sccc2C1 ZINC000272265554 378598926 /nfs/dbraw/zinc/59/89/26/378598926.db2.gz KQRDBNJQOOEQDU-UHFFFAOYSA-N 1 1 263.337 3.151 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2(C3CC3)CC2)c1 ZINC000273463117 378747371 /nfs/dbraw/zinc/74/73/71/378747371.db2.gz IKQOENHTAIAGPM-NSHDSACASA-N 1 1 289.375 3.020 20 10 CGCDMO C[C@H](CCO)C1(C[NH2+][C@@H](C)c2ccc(F)cc2O)CCC1 ZINC000273485580 378750194 /nfs/dbraw/zinc/75/01/94/378750194.db2.gz NGLRVFXPGJHQKB-OLZOCXBDSA-N 1 1 295.398 3.371 20 10 CGCDMO CC[C@@H]([NH2+]CCc1cccnc1)c1ccc(F)cc1O ZINC000285478486 380148593 /nfs/dbraw/zinc/14/85/93/380148593.db2.gz BIVYKWSPPHLDEA-OAHLLOKOSA-N 1 1 274.339 3.210 20 10 CGCDMO CC[C@H]([NH2+]Cc1c(C)noc1C)c1ccc(F)cc1O ZINC000286103058 380161140 /nfs/dbraw/zinc/16/11/40/380161140.db2.gz NIOXFCDPAZGGGL-AWEZNQCLSA-N 1 1 278.327 3.377 20 10 CGCDMO CC[C@@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(F)cc1O ZINC000286277755 380187514 /nfs/dbraw/zinc/18/75/14/380187514.db2.gz VQJKVKVRKGBJEL-HZPDHXFCSA-N 1 1 289.350 3.306 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CCCN1CC)c1ccc(F)cc1O ZINC000285685519 380152402 /nfs/dbraw/zinc/15/24/02/380152402.db2.gz OESWJATWTAELAV-ZFWWWQNUSA-N 1 1 280.387 3.056 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)c1ccc(F)cc1O ZINC000285909394 380152582 /nfs/dbraw/zinc/15/25/82/380152582.db2.gz BUJRMYGBOIWDPF-BONVTDFDSA-N 1 1 291.370 3.235 20 10 CGCDMO C[C@@H]1CCC[N@H+]1Cc1cc(Br)c(F)cc1O ZINC001144299116 804970645 /nfs/dbraw/zinc/97/06/45/804970645.db2.gz PPGWPFHOVKQLAK-MRVPVSSYSA-N 1 1 288.160 3.278 20 10 CGCDMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000109770916 392372928 /nfs/dbraw/zinc/37/29/28/392372928.db2.gz AJUAXGHOSVEEQL-UHFFFAOYSA-N 1 1 298.386 3.080 20 10 CGCDMO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000109770916 392372934 /nfs/dbraw/zinc/37/29/34/392372934.db2.gz AJUAXGHOSVEEQL-UHFFFAOYSA-N 1 1 298.386 3.080 20 10 CGCDMO C[N@@H+](CCOc1ccccc1F)Cc1ccccc1O ZINC000109769515 392373117 /nfs/dbraw/zinc/37/31/17/392373117.db2.gz AOAWZBVGPGNGED-UHFFFAOYSA-N 1 1 275.323 3.042 20 10 CGCDMO Cc1ncc(C[N@H+](C)Cc2cc(C)ccc2O)s1 ZINC000179383526 392700206 /nfs/dbraw/zinc/70/02/06/392700206.db2.gz PVRSGZNXMOHWQQ-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO Cc1ccc(O)c([C@@H](C)[NH2+]CCCN2CCCCC2)c1 ZINC000035628825 172307911 /nfs/dbraw/zinc/30/79/11/172307911.db2.gz LJGCMFMRIVYVIM-OAHLLOKOSA-N 1 1 276.424 3.227 20 10 CGCDMO CCC[N@@H+](Cc1ccc(CO)cc1)Cc1ccccc1O ZINC000272273556 263003065 /nfs/dbraw/zinc/00/30/65/263003065.db2.gz DKYGCNRPNWKNTR-UHFFFAOYSA-N 1 1 285.387 3.297 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000272540564 263006362 /nfs/dbraw/zinc/00/63/62/263006362.db2.gz PAOFQTUCKLYDLT-HNNXBMFYSA-N 1 1 283.371 3.293 20 10 CGCDMO Cc1cc([C@H]2CCC[N@H+]2Cc2cc(C)ccc2O)no1 ZINC000371397239 267399218 /nfs/dbraw/zinc/39/92/18/267399218.db2.gz YSFVOFRUGRVTQJ-OAHLLOKOSA-N 1 1 272.348 3.334 20 10 CGCDMO Cc1cc(Cl)cc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1O ZINC000180413029 329216344 /nfs/dbraw/zinc/21/63/44/329216344.db2.gz HIQYXMWXPXQTRK-CABCVRRESA-N 1 1 294.826 3.023 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000191331639 329412956 /nfs/dbraw/zinc/41/29/56/329412956.db2.gz ODUGGTSJFZGHPJ-GAJTVXKRSA-N 1 1 299.773 3.232 20 10 CGCDMO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000527803624 330284304 /nfs/dbraw/zinc/28/43/04/330284304.db2.gz HSSKRDNJFWPVLJ-XULOGPSESA-N 1 1 287.762 3.086 20 10 CGCDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000126567756 520116586 /nfs/dbraw/zinc/11/65/86/520116586.db2.gz ZEYYECGEJAKORO-OAHLLOKOSA-N 1 1 294.414 3.140 20 10 CGCDMO CC[N@H+](Cc1cccc(F)c1O)[C@H]1CCOC(C)(C)C1 ZINC000291604775 521349641 /nfs/dbraw/zinc/34/96/41/521349641.db2.gz QQSZGYOKKIGXQT-ZDUSSCGKSA-N 1 1 281.371 3.311 20 10 CGCDMO CC[N@@H+](Cc1cccc(F)c1O)[C@H]1CCOC(C)(C)C1 ZINC000291604775 521349657 /nfs/dbraw/zinc/34/96/57/521349657.db2.gz QQSZGYOKKIGXQT-ZDUSSCGKSA-N 1 1 281.371 3.311 20 10 CGCDMO CO[C@]1(C)CCC[N@@H+](Cc2cc(C)c(C)cc2O)CC1 ZINC000280350340 521750957 /nfs/dbraw/zinc/75/09/57/521750957.db2.gz SUKACIRVPUOWNW-QGZVFWFLSA-N 1 1 277.408 3.400 20 10 CGCDMO C[NH+](C)CCC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000130567320 524050922 /nfs/dbraw/zinc/05/09/22/524050922.db2.gz GXJKNORAAPLXMB-UHFFFAOYSA-N 1 1 296.842 3.209 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1nccs1 ZINC000070942536 525445417 /nfs/dbraw/zinc/44/54/17/525445417.db2.gz QQKFCGCYBLIEEN-NSHDSACASA-N 1 1 261.394 3.060 20 10 CGCDMO CSC[C@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000292728206 525707968 /nfs/dbraw/zinc/70/79/68/525707968.db2.gz FZCDISNFRNDVCE-NSHDSACASA-N 1 1 269.385 3.106 20 10 CGCDMO CSC[C@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000292728206 525707982 /nfs/dbraw/zinc/70/79/82/525707982.db2.gz FZCDISNFRNDVCE-NSHDSACASA-N 1 1 269.385 3.106 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@H](C3CC3)C2)c1O ZINC000290169179 525937713 /nfs/dbraw/zinc/93/77/13/525937713.db2.gz MPKCTGFIKNHJRY-ZDUSSCGKSA-N 1 1 261.365 3.023 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000289715072 526349978 /nfs/dbraw/zinc/34/99/78/526349978.db2.gz GVTFIWDRWQBRKO-OAHLLOKOSA-N 1 1 272.323 3.263 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000151312538 526356492 /nfs/dbraw/zinc/35/64/92/526356492.db2.gz LZCUUWXMNSHLEB-GOSISDBHSA-N 1 1 283.371 3.158 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000151312468 526356793 /nfs/dbraw/zinc/35/67/93/526356793.db2.gz LZCUUWXMNSHLEB-SFHVURJKSA-N 1 1 283.371 3.158 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000289816659 526371067 /nfs/dbraw/zinc/37/10/67/526371067.db2.gz NXUDCVCRSSKRQA-HNNXBMFYSA-N 1 1 254.333 3.124 20 10 CGCDMO Cc1cc(CC[NH2+]Cc2ccn[nH]2)c(C)n1-c1ccccc1 ZINC000727465659 571747861 /nfs/dbraw/zinc/74/78/61/571747861.db2.gz OJGLMGXUVUFFRG-UHFFFAOYSA-N 1 1 294.402 3.150 20 10 CGCDMO COC[C@@H]1CC[N@@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000739874433 572425788 /nfs/dbraw/zinc/42/57/88/572425788.db2.gz WUAULPCBDIDSNK-CQSZACIVSA-N 1 1 277.408 3.292 20 10 CGCDMO Cc1cnc(C[N@@H+](Cc2ccccc2O)C2CCCC2)cn1 ZINC000732204718 572451429 /nfs/dbraw/zinc/45/14/29/572451429.db2.gz QLMDUXSVCZKMRB-UHFFFAOYSA-N 1 1 297.402 3.435 20 10 CGCDMO Cc1nonc1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000734149890 572632094 /nfs/dbraw/zinc/63/20/94/572632094.db2.gz VULGUDZAJHOYSK-UHFFFAOYSA-N 1 1 287.363 3.028 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)C[C@H](C)S1 ZINC000743376733 572655533 /nfs/dbraw/zinc/65/55/33/572655533.db2.gz URHIAXFXNRBJDA-TXEJJXNPSA-N 1 1 288.416 3.266 20 10 CGCDMO CCCC[C@H](C(=O)OC)[N@@H+](CCC)Cc1ccccc1O ZINC000743870585 572695061 /nfs/dbraw/zinc/69/50/61/572695061.db2.gz YEOHTVLXLVCOIX-OAHLLOKOSA-N 1 1 293.407 3.336 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)Cc2ccccc2O)o1 ZINC000891713681 618253740 /nfs/dbraw/zinc/25/37/40/618253740.db2.gz KBUZWPRCRRTMTR-UHFFFAOYSA-N 1 1 261.321 3.016 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@H]1C)c1ccc(F)cc1O ZINC000840873063 618738893 /nfs/dbraw/zinc/73/88/93/618738893.db2.gz QGGRSBXBMQJFID-ASHKBJFXSA-N 1 1 281.371 3.386 20 10 CGCDMO C[C@H]([NH2+]CCN1CCCC[C@H]1C)c1ccc(F)cc1O ZINC000185027998 625290419 /nfs/dbraw/zinc/29/04/19/625290419.db2.gz QHPUBKUMMJLVFP-OLZOCXBDSA-N 1 1 280.387 3.056 20 10 CGCDMO CC(C)[C@@H](C)[N@@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000179496627 618786540 /nfs/dbraw/zinc/78/65/40/618786540.db2.gz HOSHUBJHAOJBMF-LLVKDONJSA-N 1 1 277.364 3.130 20 10 CGCDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccccc2O)C2CC2)cc1 ZINC000179557490 618795708 /nfs/dbraw/zinc/79/57/08/618795708.db2.gz ALGDIRUANURTKD-UHFFFAOYSA-N 1 1 298.342 3.465 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1ccc(F)cc1O ZINC000310544426 618799226 /nfs/dbraw/zinc/79/92/26/618799226.db2.gz DFBJOXPBWULMLD-HOTUBEGUSA-N 1 1 255.358 3.076 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCCC(C)(C)CC2)cc1OC ZINC000180440471 619015748 /nfs/dbraw/zinc/01/57/48/619015748.db2.gz TZZMNPHYBUBZOX-UHFFFAOYSA-N 1 1 293.407 3.422 20 10 CGCDMO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)n[nH]1 ZINC000186130710 619067989 /nfs/dbraw/zinc/06/79/89/619067989.db2.gz PJVLEVWTZZESBE-AAEUAGOBSA-N 1 1 273.380 3.014 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)NCCC[NH+]2CCCC2)cc1 ZINC000178412348 619176465 /nfs/dbraw/zinc/17/64/65/619176465.db2.gz BPKCWDFQQXRDTN-MRXNPFEDSA-N 1 1 289.467 3.279 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000840936521 619227541 /nfs/dbraw/zinc/22/75/41/619227541.db2.gz KTRDSLBDBZZADF-SJLPKXTDSA-N 1 1 290.451 3.044 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000894002609 619349293 /nfs/dbraw/zinc/34/92/93/619349293.db2.gz SXUXKOXMIFHMGE-ZDUSSCGKSA-N 1 1 253.292 3.045 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@H]1C1CC1 ZINC000894002609 619349295 /nfs/dbraw/zinc/34/92/95/619349295.db2.gz SXUXKOXMIFHMGE-ZDUSSCGKSA-N 1 1 253.292 3.045 20 10 CGCDMO [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000894021670 619351873 /nfs/dbraw/zinc/35/18/73/619351873.db2.gz PWUIWYXWZYITSI-SNVBAGLBSA-N 1 1 279.286 3.253 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000894021670 619351875 /nfs/dbraw/zinc/35/18/75/619351875.db2.gz PWUIWYXWZYITSI-SNVBAGLBSA-N 1 1 279.286 3.253 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000894021670 619351877 /nfs/dbraw/zinc/35/18/77/619351877.db2.gz PWUIWYXWZYITSI-SNVBAGLBSA-N 1 1 279.286 3.253 20 10 CGCDMO COc1ccc(C[N@@H+](C)[C@H]2CCC(C)(C)C2)c(O)c1OC ZINC000894178408 619406998 /nfs/dbraw/zinc/40/69/98/619406998.db2.gz NIKZXMRRZBVSCR-ZDUSSCGKSA-N 1 1 293.407 3.420 20 10 CGCDMO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185418072 625356829 /nfs/dbraw/zinc/35/68/29/625356829.db2.gz VYULYWOTYBZQCU-JSGCOSHPSA-N 1 1 280.387 3.056 20 10 CGCDMO CCC[N@H+](Cc1cc(OCC)ccc1O)CC1CC1 ZINC000154686300 619759690 /nfs/dbraw/zinc/75/96/90/619759690.db2.gz XFDMMQBQLBUPCC-UHFFFAOYSA-N 1 1 263.381 3.413 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@H](c3nccs3)C2)c1O ZINC000895585570 619855404 /nfs/dbraw/zinc/85/54/04/619855404.db2.gz ZAWTWQYPAIZOSC-AWEZNQCLSA-N 1 1 288.416 3.401 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895844424 619892621 /nfs/dbraw/zinc/89/26/21/619892621.db2.gz FOTGYTBAMMZKMT-BMIGLBTASA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895844424 619892624 /nfs/dbraw/zinc/89/26/24/619892624.db2.gz FOTGYTBAMMZKMT-BMIGLBTASA-N 1 1 299.773 3.186 20 10 CGCDMO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000895926458 619908648 /nfs/dbraw/zinc/90/86/48/619908648.db2.gz FSEJDYQEIXGWCG-HIFRSBDPSA-N 1 1 263.381 3.008 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCS[C@@H](C(F)(F)F)C2)c1 ZINC000896456007 620011570 /nfs/dbraw/zinc/01/15/70/620011570.db2.gz NGWPBIQUQIBVEL-GFCCVEGCSA-N 1 1 291.338 3.180 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)CN(CC)CC)c1ccc(F)cc1O ZINC000796750470 620142582 /nfs/dbraw/zinc/14/25/82/620142582.db2.gz ZEEVZYAOMSSVBG-SWLSCSKDSA-N 1 1 282.403 3.302 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@H](O)c1ccc(Cl)cc1 ZINC000303992730 620196678 /nfs/dbraw/zinc/19/66/78/620196678.db2.gz NIZIFLAMLCXHEK-INIZCTEOSA-N 1 1 291.778 3.211 20 10 CGCDMO COc1ccc(CNCCC[N@@H+]2CCCC[C@H]2C)cc1C ZINC000035052730 620265701 /nfs/dbraw/zinc/26/57/01/620265701.db2.gz QJRPVDVFWYIFDT-MRXNPFEDSA-N 1 1 290.451 3.358 20 10 CGCDMO COc1ccc(CNCCC[N@H+]2CCCC[C@H]2C)cc1C ZINC000035052730 620265703 /nfs/dbraw/zinc/26/57/03/620265703.db2.gz QJRPVDVFWYIFDT-MRXNPFEDSA-N 1 1 290.451 3.358 20 10 CGCDMO CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841743958 620345718 /nfs/dbraw/zinc/34/57/18/620345718.db2.gz DMJUEDDIKCGPQP-VXGBXAGGSA-N 1 1 282.815 3.038 20 10 CGCDMO CCN(CC)c1ccc(CNCC([NH3+])(CC)CC)cc1 ZINC000841030679 620408557 /nfs/dbraw/zinc/40/85/57/620408557.db2.gz KAEKTRQLRWAPHC-UHFFFAOYSA-N 1 1 277.456 3.140 20 10 CGCDMO CCO[C@H]1C[C@@H]([NH2+][C@@H](CC)c2ccc(F)cc2O)C1 ZINC000840765554 625564550 /nfs/dbraw/zinc/56/45/50/625564550.db2.gz XAVIGRKOHYSTKY-SCRDCRAPSA-N 1 1 267.344 3.140 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+](C)Cc2nccs2)c1 ZINC000164442132 622835444 /nfs/dbraw/zinc/83/54/44/622835444.db2.gz AOHLPAGKRMPKGN-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+](C)Cc2nccs2)c1 ZINC000164442132 622835450 /nfs/dbraw/zinc/83/54/50/622835450.db2.gz AOHLPAGKRMPKGN-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO CC[NH+](CC)C[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000045692636 622886703 /nfs/dbraw/zinc/88/67/03/622886703.db2.gz ZQTMTPDLEKTORK-CABCVRRESA-N 1 1 277.456 3.134 20 10 CGCDMO COc1ccc(C[NH2+]C[C@@H](C(C)C)N2CCCC2)cc1C ZINC000035258573 623423667 /nfs/dbraw/zinc/42/36/67/623423667.db2.gz DWLSGCAZCQBDEJ-KRWDZBQOSA-N 1 1 290.451 3.214 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000179569557 624664082 /nfs/dbraw/zinc/66/40/82/624664082.db2.gz CANVUZVWZMIOLO-HNNXBMFYSA-N 1 1 297.354 3.458 20 10 CGCDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(C)c1O ZINC000179604566 624670085 /nfs/dbraw/zinc/67/00/85/624670085.db2.gz FNNYMMQFJWBBCF-UHFFFAOYSA-N 1 1 299.370 3.451 20 10 CGCDMO Cc1cccc(C[N@H+]2CCO[C@](C)(c3ccccc3)C2)c1O ZINC000180203236 624726833 /nfs/dbraw/zinc/72/68/33/624726833.db2.gz FYJOPLLRTFFSIG-IBGZPJMESA-N 1 1 297.398 3.448 20 10 CGCDMO Cc1cccc(C[N@H+]2CCc3ccc(F)cc3C2)c1O ZINC000180235154 624729230 /nfs/dbraw/zinc/72/92/30/624729230.db2.gz XAZXXJIMZQHWKD-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO COC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccco1 ZINC000921809366 625885596 /nfs/dbraw/zinc/88/55/96/625885596.db2.gz LOGIMXVEVPXCNO-OAHLLOKOSA-N 1 1 287.359 3.082 20 10 CGCDMO CCC[N@@H+](CCc1cncs1)Cc1ccccc1O ZINC000839498294 626356919 /nfs/dbraw/zinc/35/69/19/626356919.db2.gz IBKVWORWFDMLGM-UHFFFAOYSA-N 1 1 276.405 3.303 20 10 CGCDMO CSCCCC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886530387 626361427 /nfs/dbraw/zinc/36/14/27/626361427.db2.gz IWLHANZMCUGDAI-SNVBAGLBSA-N 1 1 257.374 3.325 20 10 CGCDMO CCCN1CCC([NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000020190108 634502985 /nfs/dbraw/zinc/50/29/85/634502985.db2.gz XFQZIKNOOCNJNR-AWEZNQCLSA-N 1 1 276.424 3.226 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCOc3ccccc3C2)c1O ZINC000754726983 626584986 /nfs/dbraw/zinc/58/49/86/626584986.db2.gz CVJYXBFHAZNBIG-UHFFFAOYSA-N 1 1 299.370 3.104 20 10 CGCDMO COc1cc(C)cc(C[N@H+](C)C2CCC(OC)CC2)c1O ZINC000754726591 626585102 /nfs/dbraw/zinc/58/51/02/626585102.db2.gz TVGKYKVYVKGGPN-UHFFFAOYSA-N 1 1 293.407 3.099 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](C(C)C)C2)c1O ZINC000754740428 626585881 /nfs/dbraw/zinc/58/58/81/626585881.db2.gz RTDQSWQUTKCCKT-CYBMUJFWSA-N 1 1 263.381 3.187 20 10 CGCDMO CC[C@@H](C)C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000755909988 626658740 /nfs/dbraw/zinc/65/87/40/626658740.db2.gz VXLKVAVYIVVHOD-OAHLLOKOSA-N 1 1 276.424 3.253 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2CCCCC2)c1 ZINC000756344813 626694197 /nfs/dbraw/zinc/69/41/97/626694197.db2.gz VXGISUGZEARJFV-LBPRGKRZSA-N 1 1 291.391 3.410 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCc2ccccc2)c1 ZINC000756354609 626695249 /nfs/dbraw/zinc/69/52/49/626695249.db2.gz GHLSCUZJMILUMN-CYBMUJFWSA-N 1 1 299.370 3.072 20 10 CGCDMO Cc1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)cn1 ZINC000756415176 626703703 /nfs/dbraw/zinc/70/37/03/626703703.db2.gz AXETUMLIJYYLBH-SNVBAGLBSA-N 1 1 278.302 3.225 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC(C)(C)C)c1 ZINC000756466958 626707778 /nfs/dbraw/zinc/70/77/78/626707778.db2.gz RQCWQWJMIRUAKX-LLVKDONJSA-N 1 1 279.380 3.266 20 10 CGCDMO C[C@H](CCN(C)C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000756505658 626710752 /nfs/dbraw/zinc/71/07/52/626710752.db2.gz UXZVHRSWYPTANI-KGLIPLIRSA-N 1 1 290.451 3.262 20 10 CGCDMO Cc1noc(C)c1CCC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000756639651 626723307 /nfs/dbraw/zinc/72/33/07/626723307.db2.gz BHSGRAARMFFHQI-SNVBAGLBSA-N 1 1 292.354 3.420 20 10 CGCDMO Cc1ncc(CC[NH2+][C@H](C)c2cc(F)cc(F)c2O)s1 ZINC000756761700 626729898 /nfs/dbraw/zinc/72/98/98/626729898.db2.gz RDLPBOPYGWCGJB-MRVPVSSYSA-N 1 1 298.358 3.329 20 10 CGCDMO CC[N@@H+](CCC1CC1)Cc1cc(OC)c(C)cc1O ZINC000760538688 626977255 /nfs/dbraw/zinc/97/72/55/626977255.db2.gz NLNFXVZPMUNARE-UHFFFAOYSA-N 1 1 263.381 3.331 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)CC1(O)CCC1 ZINC000764141133 627196868 /nfs/dbraw/zinc/19/68/68/627196868.db2.gz WLVDSSSHJJTLIX-UHFFFAOYSA-N 1 1 288.435 3.024 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCOC1 ZINC000764140904 627197094 /nfs/dbraw/zinc/19/70/94/627197094.db2.gz QWNRZFUHJPXYCN-GOSISDBHSA-N 1 1 288.435 3.288 20 10 CGCDMO COc1ccc2c(c1)CCCCN2CCCn1cc[nH+]c1C ZINC000766270825 627309182 /nfs/dbraw/zinc/30/91/82/627309182.db2.gz UWKBAWLYIAPSDX-UHFFFAOYSA-N 1 1 299.418 3.433 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(C)o2)c(O)c1 ZINC000768168780 627465277 /nfs/dbraw/zinc/46/52/77/627465277.db2.gz NZZSLLCUKAESSR-UHFFFAOYSA-N 1 1 275.348 3.324 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)CCCc1ccccc1 ZINC000768335985 627474118 /nfs/dbraw/zinc/47/41/18/627474118.db2.gz DOXNROWIFAHPGM-UHFFFAOYSA-N 1 1 285.387 3.465 20 10 CGCDMO COc1cccc(O)c1C[N@@H+]1CCC[C@H]1c1cc(C)on1 ZINC000768430598 627479733 /nfs/dbraw/zinc/47/97/33/627479733.db2.gz QPAZPNXHDNABCI-AWEZNQCLSA-N 1 1 288.347 3.034 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H]1c1cc(C)on1 ZINC000768430598 627479736 /nfs/dbraw/zinc/47/97/36/627479736.db2.gz QPAZPNXHDNABCI-AWEZNQCLSA-N 1 1 288.347 3.034 20 10 CGCDMO CCC[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000768466243 627481145 /nfs/dbraw/zinc/48/11/45/627481145.db2.gz WHLIHNDVEASLKZ-KRWDZBQOSA-N 1 1 289.419 3.272 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCc3ccc(O)cc3CC2)cc1 ZINC000769192107 627530418 /nfs/dbraw/zinc/53/04/18/627530418.db2.gz YFFAKVPWIOKXPG-UHFFFAOYSA-N 1 1 296.414 3.059 20 10 CGCDMO CC(C)(C)[N@H+]1CCCN(Cc2c(O)cccc2Cl)CC1 ZINC000769188944 627530679 /nfs/dbraw/zinc/53/06/79/627530679.db2.gz SNRWLGGRCBKAEB-UHFFFAOYSA-N 1 1 296.842 3.352 20 10 CGCDMO CC(C)C[C@H]1COCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000769398846 627548650 /nfs/dbraw/zinc/54/86/50/627548650.db2.gz KHILEIKWUFEXNW-AWEZNQCLSA-N 1 1 283.799 3.293 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000769492657 627559982 /nfs/dbraw/zinc/55/99/82/627559982.db2.gz LMNTULBULDAJJZ-UHFFFAOYSA-N 1 1 288.435 3.288 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)CCC2CC2)cc1F ZINC000770374341 627615407 /nfs/dbraw/zinc/61/54/07/627615407.db2.gz LYFHPCQLGJUACO-UHFFFAOYSA-N 1 1 250.361 3.124 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000770371935 627615518 /nfs/dbraw/zinc/61/55/18/627615518.db2.gz CVUZBJLOOAXMHU-CHWSQXEVSA-N 1 1 295.810 3.294 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000773756978 627911008 /nfs/dbraw/zinc/91/10/08/627911008.db2.gz XYFBWJHFDJQQLW-QAPCUYQASA-N 1 1 289.467 3.057 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2ccc(N(C)CC)cc2)CCS1 ZINC000773756156 627911525 /nfs/dbraw/zinc/91/15/25/627911525.db2.gz UGESPOFLPOTDCV-INIZCTEOSA-N 1 1 278.465 3.470 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H]3COCC[C@H]32)cc1 ZINC000773766750 627913841 /nfs/dbraw/zinc/91/38/41/627913841.db2.gz VFLSMDYGVCQCTD-FUHWJXTLSA-N 1 1 288.435 3.144 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCSC[C@@H](C)C2)cc1 ZINC000773888690 627925434 /nfs/dbraw/zinc/92/54/34/627925434.db2.gz MATBBEDDGRPGAV-AWEZNQCLSA-N 1 1 278.465 3.328 20 10 CGCDMO CCO[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000775634020 628117414 /nfs/dbraw/zinc/11/74/14/628117414.db2.gz NSGDVPROUVADFG-AWEZNQCLSA-N 1 1 283.799 3.355 20 10 CGCDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cccc(C)c2O)C12CCC2 ZINC000775743378 628132292 /nfs/dbraw/zinc/13/22/92/628132292.db2.gz ZKJSMAFTQRYULK-HOTGVXAUSA-N 1 1 289.419 3.480 20 10 CGCDMO C[C@@H](NCC[C@@H]1CCCC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000775830217 628140225 /nfs/dbraw/zinc/14/02/25/628140225.db2.gz FGLKBKSHYXOOOA-QAPCUYQASA-N 1 1 289.467 3.278 20 10 CGCDMO C[C@@H](NCC[C@@H]1CCCC[N@H+]1C)c1ccc(N(C)C)cc1 ZINC000775830217 628140227 /nfs/dbraw/zinc/14/02/27/628140227.db2.gz FGLKBKSHYXOOOA-QAPCUYQASA-N 1 1 289.467 3.278 20 10 CGCDMO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(N(C)C)cc1 ZINC000775830217 628140228 /nfs/dbraw/zinc/14/02/28/628140228.db2.gz FGLKBKSHYXOOOA-QAPCUYQASA-N 1 1 289.467 3.278 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000777440186 628270895 /nfs/dbraw/zinc/27/08/95/628270895.db2.gz VZELPSKYEZFJOF-MRXNPFEDSA-N 1 1 275.392 3.092 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C[C@H]1F ZINC000777970065 628317354 /nfs/dbraw/zinc/31/73/54/628317354.db2.gz VAHMDRQWQSBIFY-IAQYHMDHSA-N 1 1 263.356 3.061 20 10 CGCDMO Cc1cccc(C[N@H+](C)Cc2cc(F)ccc2O)c1 ZINC000778994285 628381614 /nfs/dbraw/zinc/38/16/14/628381614.db2.gz CFKCARQOIIUECZ-UHFFFAOYSA-N 1 1 259.324 3.472 20 10 CGCDMO C[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@H]1F ZINC000779151517 628390709 /nfs/dbraw/zinc/39/07/09/628390709.db2.gz ZLKSRUSEQWRQDO-JOYOIKCWSA-N 1 1 257.736 3.226 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C[C@H]1F ZINC000779151517 628390710 /nfs/dbraw/zinc/39/07/10/628390710.db2.gz ZLKSRUSEQWRQDO-JOYOIKCWSA-N 1 1 257.736 3.226 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000779598464 628417625 /nfs/dbraw/zinc/41/76/25/628417625.db2.gz JDZIRBOCVHBJSF-UHFFFAOYSA-N 1 1 284.378 3.450 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC000785765449 628886548 /nfs/dbraw/zinc/88/65/48/628886548.db2.gz HUZKQIUIUXDQKH-LBPRGKRZSA-N 1 1 272.314 3.137 20 10 CGCDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)ccc1O ZINC000785988323 628905626 /nfs/dbraw/zinc/90/56/26/628905626.db2.gz LDHGCYRJTZTLAG-GYSYKLTISA-N 1 1 283.799 3.027 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c1O ZINC000785986810 628905788 /nfs/dbraw/zinc/90/57/88/628905788.db2.gz DOZNERVFTXHMDS-WBIUFABUSA-N 1 1 297.826 3.335 20 10 CGCDMO C[C@@H](O)CCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788796285 629082542 /nfs/dbraw/zinc/08/25/42/629082542.db2.gz FBCOTCWYARCWBF-NXEZZACHSA-N 1 1 291.313 3.223 20 10 CGCDMO CO[C@@H](C)C[N@H+](Cc1c(O)ccc(Cl)c1F)C(C)C ZINC000792166508 629342298 /nfs/dbraw/zinc/34/22/98/629342298.db2.gz SCXQEZXEFRULIE-JTQLQIEISA-N 1 1 289.778 3.430 20 10 CGCDMO CO[C@@H](C)C[N@@H+](Cc1c(O)ccc(Cl)c1F)C(C)C ZINC000792166508 629342303 /nfs/dbraw/zinc/34/23/03/629342303.db2.gz SCXQEZXEFRULIE-JTQLQIEISA-N 1 1 289.778 3.430 20 10 CGCDMO CN(C)c1cc(F)c(C[N@@H+](C)C(C)(C)C)cc1F ZINC000862400130 629363758 /nfs/dbraw/zinc/36/37/58/629363758.db2.gz NSAXQMRRBVABDT-UHFFFAOYSA-N 1 1 256.340 3.261 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CC(C)(C)OC[C@@H]2C)c1 ZINC000792728007 629377943 /nfs/dbraw/zinc/37/79/43/629377943.db2.gz XPEJDDBMIZPUGS-ZDUSSCGKSA-N 1 1 263.381 3.008 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@](O)(c3ccccc3)C2)c1 ZINC000862482136 629384940 /nfs/dbraw/zinc/38/49/40/629384940.db2.gz DQRCPDSOKRHBTM-LJQANCHMSA-N 1 1 297.398 3.184 20 10 CGCDMO C[N@@H+](Cc1ccc2ccccc2c1O)CC1(C)COC1 ZINC000862479185 629385010 /nfs/dbraw/zinc/38/50/10/629385010.db2.gz GCNPXFZZHOVEDL-UHFFFAOYSA-N 1 1 271.360 3.014 20 10 CGCDMO CC(C)(C)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000793369415 629449597 /nfs/dbraw/zinc/44/95/97/629449597.db2.gz FRGVDXUNNZUCCL-ZDUSSCGKSA-N 1 1 291.391 3.379 20 10 CGCDMO CC[C@H]([NH2+]Cc1ccc(OC)nc1)c1ccc(F)cc1O ZINC000796680019 629814607 /nfs/dbraw/zinc/81/46/07/629814607.db2.gz VGEIUBCPWMVYOO-AWEZNQCLSA-N 1 1 290.338 3.176 20 10 CGCDMO CC[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccc(F)cc1O ZINC000796794294 629836294 /nfs/dbraw/zinc/83/62/94/629836294.db2.gz AMCSMORKNJVGIX-OSAQELSMSA-N 1 1 281.371 3.123 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCCO1)c1cccc(C(F)(F)F)c1O ZINC000798179637 630030801 /nfs/dbraw/zinc/03/08/01/630030801.db2.gz IJTNSHFGUTXJHY-NXEZZACHSA-N 1 1 289.297 3.241 20 10 CGCDMO CCCC[N@@H+](CCC(=O)C1CC1)Cc1ccccc1O ZINC000801595905 630346707 /nfs/dbraw/zinc/34/67/07/630346707.db2.gz MLEVVHASRNMDJL-UHFFFAOYSA-N 1 1 275.392 3.364 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CC(C)(C)[C@@H]2c2nccn2C)c1 ZINC000840109762 630596634 /nfs/dbraw/zinc/59/66/34/630596634.db2.gz VPRAKMZMKRVESG-INIZCTEOSA-N 1 1 299.418 3.326 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC(C)(C)[C@@H]2c2nccn2C)c1 ZINC000840109762 630596637 /nfs/dbraw/zinc/59/66/37/630596637.db2.gz VPRAKMZMKRVESG-INIZCTEOSA-N 1 1 299.418 3.326 20 10 CGCDMO CCOc1ccc(C[NH2+][C@H]2CCCC2(F)F)c(O)c1 ZINC000808432005 630644198 /nfs/dbraw/zinc/64/41/98/630644198.db2.gz RVMHXZKQNVQLDG-ZDUSSCGKSA-N 1 1 271.307 3.068 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c1O ZINC000809728962 630793531 /nfs/dbraw/zinc/79/35/31/630793531.db2.gz NBKDRYGJRJVDEJ-MRXNPFEDSA-N 1 1 268.360 3.433 20 10 CGCDMO CCC[N@H+](CC)C[C@@H](C)NCc1cc(OCC)ccc1O ZINC000810180382 630851251 /nfs/dbraw/zinc/85/12/51/630851251.db2.gz WIYRCMYGGDKXNN-CQSZACIVSA-N 1 1 294.439 3.001 20 10 CGCDMO CCC[N@@H+](CC)C[C@@H](C)NCc1cc(OCC)ccc1O ZINC000810180382 630851253 /nfs/dbraw/zinc/85/12/53/630851253.db2.gz WIYRCMYGGDKXNN-CQSZACIVSA-N 1 1 294.439 3.001 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000811512497 631080612 /nfs/dbraw/zinc/08/06/12/631080612.db2.gz MOFDMWNOYZHRPC-IBGZPJMESA-N 1 1 295.382 3.362 20 10 CGCDMO COc1ccc(F)cc1CNc1ccc2c(c1)[nH+]cn2C ZINC000812757205 631304501 /nfs/dbraw/zinc/30/45/01/631304501.db2.gz WUBPYIICFZWZLW-UHFFFAOYSA-N 1 1 285.322 3.333 20 10 CGCDMO CC[N@@H+](Cc1ccns1)Cc1ccc(N(C)C)cc1 ZINC000876522611 634851170 /nfs/dbraw/zinc/85/11/70/634851170.db2.gz XEZFVDMHSQFLMB-UHFFFAOYSA-N 1 1 275.421 3.231 20 10 CGCDMO Cc1noc(C)c1C[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000815015589 631703454 /nfs/dbraw/zinc/70/34/54/631703454.db2.gz MWBSZKBVUUMIHX-UHFFFAOYSA-N 1 1 287.407 3.298 20 10 CGCDMO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815017117 631703949 /nfs/dbraw/zinc/70/39/49/631703949.db2.gz GJZCJFVYBDHYGL-GDBMZVCRSA-N 1 1 276.424 3.060 20 10 CGCDMO Cc1cc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)ccc1N(C)C ZINC000815023826 631705505 /nfs/dbraw/zinc/70/55/05/631705505.db2.gz JRLHZOZXXWHANA-CQSZACIVSA-N 1 1 276.424 3.060 20 10 CGCDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815052372 631707465 /nfs/dbraw/zinc/70/74/65/631707465.db2.gz MLDVEROOKBYEHW-MSOLQXFVSA-N 1 1 290.451 3.186 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)cc1 ZINC000815103328 631717951 /nfs/dbraw/zinc/71/79/51/631717951.db2.gz PCVFGQMABQTBGO-CRAIPNDOSA-N 1 1 290.451 3.268 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc1 ZINC000815102647 631718036 /nfs/dbraw/zinc/71/80/36/631718036.db2.gz LDLHZHOHEDMIPK-KSSFIOAISA-N 1 1 288.435 3.142 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCCO[C@@H](C(C)C)C2)cc1 ZINC000815313985 631756508 /nfs/dbraw/zinc/75/65/08/631756508.db2.gz BPADRTAPWSRRMB-GOSISDBHSA-N 1 1 290.451 3.390 20 10 CGCDMO C[C@H]([NH2+]CCCCCO)c1cccc(C(F)(F)F)c1O ZINC000815622456 631808073 /nfs/dbraw/zinc/80/80/73/631808073.db2.gz VWUCBLIGVSGYHZ-JTQLQIEISA-N 1 1 291.313 3.224 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)CN(C)C)c1cccc(C(F)(F)F)c1O ZINC000815625794 631808666 /nfs/dbraw/zinc/80/86/66/631808666.db2.gz MKSCDFPXPNWSDF-VHSXEESVSA-N 1 1 290.329 3.012 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000816484837 631989690 /nfs/dbraw/zinc/98/96/90/631989690.db2.gz QCOXLFYMWDUDBS-JTQLQIEISA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000816484837 631989695 /nfs/dbraw/zinc/98/96/95/631989695.db2.gz QCOXLFYMWDUDBS-JTQLQIEISA-N 1 1 299.773 3.186 20 10 CGCDMO C[N@@H+](Cc1ccc2ccccc2c1O)[C@@H]1CCN(C2CC2)C1 ZINC000816504274 631995954 /nfs/dbraw/zinc/99/59/54/631995954.db2.gz GOQKFPGABFTPNG-QGZVFWFLSA-N 1 1 296.414 3.214 20 10 CGCDMO CN(Cc1ccc2ccccc2c1O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000816504274 631995964 /nfs/dbraw/zinc/99/59/64/631995964.db2.gz GOQKFPGABFTPNG-QGZVFWFLSA-N 1 1 296.414 3.214 20 10 CGCDMO CN(Cc1ccc2ccccc2c1O)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000816504274 631995968 /nfs/dbraw/zinc/99/59/68/631995968.db2.gz GOQKFPGABFTPNG-QGZVFWFLSA-N 1 1 296.414 3.214 20 10 CGCDMO C[N@H+](Cc1ccc2ccccc2c1O)C[C@@H]1CCOC1 ZINC000816519048 632001898 /nfs/dbraw/zinc/00/18/98/632001898.db2.gz WNQJDUINJUTRLF-ZDUSSCGKSA-N 1 1 271.360 3.014 20 10 CGCDMO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816560734 632013148 /nfs/dbraw/zinc/01/31/48/632013148.db2.gz YOFLCCSNBRTGLP-YMTOWFKASA-N 1 1 287.762 3.089 20 10 CGCDMO C[N@H+](Cc1cccnc1)Cc1cc(Cl)c(F)cc1O ZINC000816564404 632013365 /nfs/dbraw/zinc/01/33/65/632013365.db2.gz FCTBNYFTARXRTJ-UHFFFAOYSA-N 1 1 280.730 3.212 20 10 CGCDMO C[N@@H+](Cc1cccnc1)Cc1cc(Cl)c(F)cc1O ZINC000816564404 632013372 /nfs/dbraw/zinc/01/33/72/632013372.db2.gz FCTBNYFTARXRTJ-UHFFFAOYSA-N 1 1 280.730 3.212 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)C[C@@H](O)Cc2ccccc2)cc1C ZINC000816624679 632025886 /nfs/dbraw/zinc/02/58/86/632025886.db2.gz CVANQAUGVNBEKI-SFHVURJKSA-N 1 1 299.414 3.044 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCOC[C@@H]2CC2CCC2)cc1C ZINC000816667292 632041718 /nfs/dbraw/zinc/04/17/18/632041718.db2.gz JAHIDXCKFDSSOT-KRWDZBQOSA-N 1 1 289.419 3.400 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000817972452 632265941 /nfs/dbraw/zinc/26/59/41/632265941.db2.gz XTIOCMDDYRPBGG-BPNCWPANSA-N 1 1 282.815 3.084 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cc(Cl)ccc1[O-] ZINC000817980445 632272067 /nfs/dbraw/zinc/27/20/67/632272067.db2.gz BBJAQCMMBLIRCU-QKCSRTOESA-N 1 1 282.815 3.214 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cc(Cl)ccc1[O-] ZINC000817986714 632275832 /nfs/dbraw/zinc/27/58/32/632275832.db2.gz NMNBJCZSHHJQEV-KZVDOYCCSA-N 1 1 294.826 3.084 20 10 CGCDMO C[N@@H+](CC[C@@H]1CC1(Cl)Cl)Cc1ccccc1O ZINC000822740107 633014341 /nfs/dbraw/zinc/01/43/41/633014341.db2.gz MDOUZGBNPNXMHW-LLVKDONJSA-N 1 1 274.191 3.408 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCC23CC3)c1 ZINC000866411123 633127453 /nfs/dbraw/zinc/12/74/53/633127453.db2.gz CWOCLKKBKVRYKG-IAQYHMDHSA-N 1 1 289.375 3.162 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(F)cc1O ZINC000866632668 633221879 /nfs/dbraw/zinc/22/18/79/633221879.db2.gz AYWAVRXITZSEOW-UONOGXRCSA-N 1 1 289.354 3.304 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@](C)(F)C2)cc1C ZINC000824471915 633247885 /nfs/dbraw/zinc/24/78/85/633247885.db2.gz IOJZVDIOBIAJEI-OAHLLOKOSA-N 1 1 251.345 3.333 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1O)C(F)F ZINC000824508584 633251603 /nfs/dbraw/zinc/25/16/03/633251603.db2.gz FODAQUFTZMDYQU-LDYMZIIASA-N 1 1 259.296 3.095 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)C(F)F ZINC000824508583 633251706 /nfs/dbraw/zinc/25/17/06/633251706.db2.gz FODAQUFTZMDYQU-KWQFWETISA-N 1 1 259.296 3.095 20 10 CGCDMO CC[C@H](C)[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)OC ZINC000824597563 633263373 /nfs/dbraw/zinc/26/33/73/633263373.db2.gz URGPYWJHRSBVQY-XPTSAGLGSA-N 1 1 289.778 3.335 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)C[C@@H]2CCCOC2)cc1Cl ZINC000824719690 633279085 /nfs/dbraw/zinc/27/90/85/633279085.db2.gz GODXJFSASDKGRL-LBPRGKRZSA-N 1 1 283.799 3.212 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCSC[C@H]2C2CC2)c1 ZINC000824914505 633304596 /nfs/dbraw/zinc/30/45/96/633304596.db2.gz SRGKVLLPSZAWPL-HNNXBMFYSA-N 1 1 293.432 3.118 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)[C@H](CO)CC(C)(C)C)c(O)c1 ZINC000825040322 633320914 /nfs/dbraw/zinc/32/09/14/633320914.db2.gz GMFFBLKFRGBJIK-AWEZNQCLSA-N 1 1 295.423 3.020 20 10 CGCDMO COC[C@@H]1CCCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000825294692 633342156 /nfs/dbraw/zinc/34/21/56/633342156.db2.gz WRLMGFLUOOSESN-JTQLQIEISA-N 1 1 287.762 3.186 20 10 CGCDMO COC[C@@H]1CCCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000825294692 633342161 /nfs/dbraw/zinc/34/21/61/633342161.db2.gz WRLMGFLUOOSESN-JTQLQIEISA-N 1 1 287.762 3.186 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)CCc2ccncc2)cc1Cl ZINC000825502616 633358156 /nfs/dbraw/zinc/35/81/56/633358156.db2.gz ZKMWEZNWADORPR-UHFFFAOYSA-N 1 1 290.794 3.424 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2O)C[C@H]1C ZINC000826063016 633402034 /nfs/dbraw/zinc/40/20/34/633402034.db2.gz ZTPJZCJQADSTEV-ABAIWWIYSA-N 1 1 283.799 3.211 20 10 CGCDMO COc1ccc2c(c1)CC[N@H+](Cc1cccc(C)c1O)C2 ZINC000827296561 633479151 /nfs/dbraw/zinc/47/91/51/633479151.db2.gz DHXPTZNYHSCGMN-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000827377133 633487307 /nfs/dbraw/zinc/48/73/07/633487307.db2.gz QIIRNKIGZBRFTL-DOTOQJQBSA-N 1 1 275.392 3.173 20 10 CGCDMO Oc1c(C[N@H+]2CC[C@@H]3COC[C@H]3C2)ccc2ccccc21 ZINC000827601735 633501897 /nfs/dbraw/zinc/50/18/97/633501897.db2.gz HSACGHRXAWOCFF-HZPDHXFCSA-N 1 1 283.371 3.014 20 10 CGCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CC1(C)C ZINC000827941480 633538370 /nfs/dbraw/zinc/53/83/70/633538370.db2.gz FMRROPFFESEDBT-MRXNPFEDSA-N 1 1 288.435 3.001 20 10 CGCDMO CCCOc1ccc(CNC[C@@H]2CC[N@H+](CC)C2)cc1C ZINC000873015492 634232455 /nfs/dbraw/zinc/23/24/55/634232455.db2.gz MXIKSIYIESJMSF-KRWDZBQOSA-N 1 1 290.451 3.215 20 10 CGCDMO CCCOc1ccc(CNC[C@@H]2CC[N@@H+](CC)C2)cc1C ZINC000873015492 634232460 /nfs/dbraw/zinc/23/24/60/634232460.db2.gz MXIKSIYIESJMSF-KRWDZBQOSA-N 1 1 290.451 3.215 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1ccc(F)cc1O ZINC000834894295 634271821 /nfs/dbraw/zinc/27/18/21/634271821.db2.gz KBQPACIWZVGDLZ-DDTOSNHZSA-N 1 1 289.354 3.475 20 10 CGCDMO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2O)cn1 ZINC000834904079 634281199 /nfs/dbraw/zinc/28/11/99/634281199.db2.gz MQMVXYJZJMAMDX-ZJUUUORDSA-N 1 1 295.333 3.299 20 10 CGCDMO CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)cc1[O-] ZINC000834909568 634284215 /nfs/dbraw/zinc/28/42/15/634284215.db2.gz SKLTZUCMLHDFPP-MRXNPFEDSA-N 1 1 294.414 3.446 20 10 CGCDMO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)c2c1c(F)ccc2[O-] ZINC000873240282 634298507 /nfs/dbraw/zinc/29/85/07/634298507.db2.gz NGKFWGXKUDXHQC-HKUMRIAESA-N 1 1 292.398 3.187 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000876762808 634894829 /nfs/dbraw/zinc/89/48/29/634894829.db2.gz HBJSVEGWASYRIL-KRWDZBQOSA-N 1 1 275.392 3.093 20 10 CGCDMO Cc1cnc(CC[N@H+](C)Cc2c(C)cccc2O)s1 ZINC000876779708 634897482 /nfs/dbraw/zinc/89/74/82/634897482.db2.gz KVTHQPNNATVLEM-UHFFFAOYSA-N 1 1 276.405 3.140 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000877486345 635055960 /nfs/dbraw/zinc/05/59/60/635055960.db2.gz ICVPISUWLUNPNC-ZYHUDNBSSA-N 1 1 273.298 3.473 20 10 CGCDMO C[C@@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1ccccc1O ZINC000840864019 635068322 /nfs/dbraw/zinc/06/83/22/635068322.db2.gz AQDWAGQWVPVGGS-SECBINFHSA-N 1 1 297.280 3.052 20 10 CGCDMO Cc1ccc(C[N@@H+](Cc2ccccn2)C2CC2)c(O)c1 ZINC000877530515 635075309 /nfs/dbraw/zinc/07/53/09/635075309.db2.gz HOUSCURBPRRRJX-UHFFFAOYSA-N 1 1 268.360 3.260 20 10 CGCDMO COC1([C@H](C)[NH2+]Cc2c(O)ccc(Cl)c2F)CCC1 ZINC000840969822 635097446 /nfs/dbraw/zinc/09/74/46/635097446.db2.gz LLUPDHUGVRLHPM-VIFPVBQESA-N 1 1 287.762 3.232 20 10 CGCDMO Cc1ccc(C[N@H+](C)C[C@@](C)(O)c2ccccc2)c(O)c1 ZINC000877598293 635106576 /nfs/dbraw/zinc/10/65/76/635106576.db2.gz CVHRYKCTWSYLOH-GOSISDBHSA-N 1 1 285.387 3.040 20 10 CGCDMO Cc1ccc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)c1 ZINC000841040787 635112269 /nfs/dbraw/zinc/11/22/69/635112269.db2.gz TUCOGIHNRKWMFR-LJQANCHMSA-N 1 1 297.446 3.159 20 10 CGCDMO Cc1ccc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1C ZINC000841040496 635112512 /nfs/dbraw/zinc/11/25/12/635112512.db2.gz NNZVUYSXQBCLCN-LJQANCHMSA-N 1 1 297.446 3.159 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000877644558 635129640 /nfs/dbraw/zinc/12/96/40/635129640.db2.gz UADGTDGATRWRQS-UHFFFAOYSA-N 1 1 299.418 3.019 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)c1O ZINC000877740508 635176150 /nfs/dbraw/zinc/17/61/50/635176150.db2.gz VUHCHMPTISFJQB-LSDHHAIUSA-N 1 1 277.433 3.140 20 10 CGCDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2c(O)ccc3ccncc32)[C@H]1C ZINC000841690684 635212680 /nfs/dbraw/zinc/21/26/80/635212680.db2.gz MWIGNFRQOIGYGI-UPJWGTAASA-N 1 1 270.376 3.417 20 10 CGCDMO CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841744613 635222660 /nfs/dbraw/zinc/22/26/60/635222660.db2.gz JGMKXRJWXRLLHE-QWHCGFSZSA-N 1 1 296.842 3.428 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccc(Cl)cc1O ZINC000841751212 635225020 /nfs/dbraw/zinc/22/50/20/635225020.db2.gz FXPNHQJVHSGTEY-OUJBWJOFSA-N 1 1 269.772 3.121 20 10 CGCDMO C[C@@H]([NH2+]CCC1(O)CCC1)c1ccc(Cl)cc1O ZINC000841750751 635225245 /nfs/dbraw/zinc/22/52/45/635225245.db2.gz ANSPMOMUIMCIAJ-SNVBAGLBSA-N 1 1 269.772 3.001 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1ccc(Cl)cc1O ZINC000841755493 635230170 /nfs/dbraw/zinc/23/01/70/635230170.db2.gz QFPYAVZWLLBHOP-LOWVWBTDSA-N 1 1 283.799 3.247 20 10 CGCDMO CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841758272 635232238 /nfs/dbraw/zinc/23/22/38/635232238.db2.gz KXTZSAMLIQZVJM-QWRGUYRKSA-N 1 1 271.788 3.105 20 10 CGCDMO Oc1ccccc1C[N@@H+](CCc1cnccn1)C1CCCC1 ZINC000878102604 635357408 /nfs/dbraw/zinc/35/74/08/635357408.db2.gz AMNDUIKJSJEVBF-UHFFFAOYSA-N 1 1 297.402 3.170 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000842624852 635421585 /nfs/dbraw/zinc/42/15/85/635421585.db2.gz KRXMMLQJTRRPOI-KDOFPFPSSA-N 1 1 283.371 3.156 20 10 CGCDMO CC[C@@H]([NH2+]Cc1ccc(CO)cc1)c1ccc(F)cc1O ZINC000842896555 635508079 /nfs/dbraw/zinc/50/80/79/635508079.db2.gz WXNUVZYPAMUNOL-MRXNPFEDSA-N 1 1 289.350 3.265 20 10 CGCDMO Cc1cc([O-])c(C[N@@H+](C)C2CCC([NH3+])CC2)c(Cl)c1 ZINC000843054878 635551561 /nfs/dbraw/zinc/55/15/61/635551561.db2.gz MBRMMEYFLQZXER-UHFFFAOYSA-N 1 1 282.815 3.056 20 10 CGCDMO Cc1cc([O-])c(C[N@H+](C)C2CCC([NH3+])CC2)c(Cl)c1 ZINC000843054878 635551566 /nfs/dbraw/zinc/55/15/66/635551566.db2.gz MBRMMEYFLQZXER-UHFFFAOYSA-N 1 1 282.815 3.056 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000843416953 635663285 /nfs/dbraw/zinc/66/32/85/635663285.db2.gz MMADHYDVZHUTMD-GDBMZVCRSA-N 1 1 275.392 3.092 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000843419694 635664428 /nfs/dbraw/zinc/66/44/28/635664428.db2.gz PTKNYJUCQZLNHR-ZDUSSCGKSA-N 1 1 288.778 3.430 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CC2(CCC2)O1 ZINC000843432721 635674490 /nfs/dbraw/zinc/67/44/90/635674490.db2.gz OIZNJUYIADMNIU-NSHDSACASA-N 1 1 281.783 3.189 20 10 CGCDMO Oc1c(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)ccc2ccccc21 ZINC000846114401 636146075 /nfs/dbraw/zinc/14/60/75/636146075.db2.gz VJFWZYQNDHDGMU-OKILXGFUSA-N 1 1 275.298 3.242 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846116704 636146860 /nfs/dbraw/zinc/14/68/60/636146860.db2.gz IMQOWXWOATUVJA-OAHLLOKOSA-N 1 1 280.362 3.292 20 10 CGCDMO CC(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000883029165 636513234 /nfs/dbraw/zinc/51/32/34/636513234.db2.gz IMNPYGIYIHCZOB-BDJLRTHQSA-N 1 1 299.361 3.211 20 10 CGCDMO Cc1cnc([C@@H](C)C[NH2+]Cc2cc(F)cc(F)c2O)s1 ZINC000883087762 636537034 /nfs/dbraw/zinc/53/70/34/636537034.db2.gz HZHJTYGGRZOBEV-QMMMGPOBSA-N 1 1 298.358 3.329 20 10 CGCDMO CC(C)(C[NH2+]Cc1cc(F)cc(F)c1O)c1ccccn1 ZINC000883132233 636549607 /nfs/dbraw/zinc/54/96/07/636549607.db2.gz JXAKULKHJKLLBO-UHFFFAOYSA-N 1 1 292.329 3.133 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)c1O ZINC000848900108 636681539 /nfs/dbraw/zinc/68/15/39/636681539.db2.gz AYMCVLIUMPDRNO-FZMZJTMJSA-N 1 1 251.345 3.135 20 10 CGCDMO CCc1cccc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)c1O ZINC000848913502 636687869 /nfs/dbraw/zinc/68/78/69/636687869.db2.gz YUAKKIVANKQZOQ-KRWDZBQOSA-N 1 1 289.419 3.203 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1O ZINC000848916866 636690091 /nfs/dbraw/zinc/69/00/91/636690091.db2.gz YAFODCIFAXYZBT-GVDBMIGSSA-N 1 1 289.419 3.080 20 10 CGCDMO CCc1cccc(C[N@@H+](CC)CCSC)c1O ZINC000848919663 636691929 /nfs/dbraw/zinc/69/19/29/636691929.db2.gz PJCREJNLCLSCRW-UHFFFAOYSA-N 1 1 253.411 3.140 20 10 CGCDMO CCC(C)(C)N1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000848924976 636696852 /nfs/dbraw/zinc/69/68/52/636696852.db2.gz JFRWLQFRDYHUDY-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](OC3CCC3)C2)c1 ZINC000848924827 636697065 /nfs/dbraw/zinc/69/70/65/636697065.db2.gz CFLSVKVSNRFIHF-MRXNPFEDSA-N 1 1 275.392 3.234 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccccc2O)CC2(CCCCC2)O1 ZINC000848929550 636700062 /nfs/dbraw/zinc/70/00/62/636700062.db2.gz YBKQGPFBROWHLB-CQSZACIVSA-N 1 1 275.392 3.316 20 10 CGCDMO CC[C@H](C)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000134748428 637036750 /nfs/dbraw/zinc/03/67/50/637036750.db2.gz UETFEIKPRPCNNS-VIFPVBQESA-N 1 1 272.186 3.351 20 10 CGCDMO C[C@H]([NH2+]CC1CCC(O)CC1)c1ccc(Cl)cc1O ZINC000850550975 637117656 /nfs/dbraw/zinc/11/76/56/637117656.db2.gz FQJAQJRSRGYEIH-ZBOXLXRLSA-N 1 1 283.799 3.247 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1cc(F)cc(F)c1O ZINC000850571071 637128868 /nfs/dbraw/zinc/12/88/68/637128868.db2.gz MBSFTEYGAIQDCW-NXEZZACHSA-N 1 1 285.334 3.136 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H]1C[C@@]12CCOC2 ZINC000886027860 637374056 /nfs/dbraw/zinc/37/40/56/637374056.db2.gz JPUAWOFVMSXKCQ-DOTOQJQBSA-N 1 1 275.392 3.031 20 10 CGCDMO COc1ccc(C[NH2+][C@@H](C)c2c(O)cccc2F)cc1 ZINC000886487682 637537603 /nfs/dbraw/zinc/53/76/03/637537603.db2.gz OGHBEIJLMPZFFE-NSHDSACASA-N 1 1 275.323 3.391 20 10 CGCDMO C[C@@H]([NH2+][C@H](C)c1c(O)cccc1F)c1cccnc1 ZINC000886491477 637539873 /nfs/dbraw/zinc/53/98/73/637539873.db2.gz FWWOBQWZAVWRSR-GHMZBOCLSA-N 1 1 260.312 3.338 20 10 CGCDMO CSC1(C[NH2+][C@@H](C)c2c(O)cccc2F)CCC1 ZINC000886603315 637600167 /nfs/dbraw/zinc/60/01/67/637600167.db2.gz LHIAPVRVBLJXKK-JTQLQIEISA-N 1 1 269.385 3.468 20 10 CGCDMO Cc1ccncc1C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886620096 637612887 /nfs/dbraw/zinc/61/28/87/637612887.db2.gz BQMPRDRIAONERQ-NSHDSACASA-N 1 1 260.312 3.086 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1c(O)cccc1F ZINC000886636139 637621924 /nfs/dbraw/zinc/62/19/24/637621924.db2.gz GPZDJSXNBABEQF-RYUDHWBXSA-N 1 1 280.387 3.055 20 10 CGCDMO C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1c(O)cccc1F ZINC000886638494 637623476 /nfs/dbraw/zinc/62/34/76/637623476.db2.gz WARDXTGCRQJDCW-PELKAZGASA-N 1 1 259.271 3.227 20 10 CGCDMO Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CCO)ccc1N(C)C ZINC000852461401 637654125 /nfs/dbraw/zinc/65/41/25/637654125.db2.gz IQSASNBODIXUGB-KDOFPFPSSA-N 1 1 290.451 3.044 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1 ZINC000886818906 637705888 /nfs/dbraw/zinc/70/58/88/637705888.db2.gz LOWQOXSNNZNVHJ-FUHWJXTLSA-N 1 1 288.435 3.144 20 10 CGCDMO Cc1cc(CO)cc(N[C@H](C)c2ccc(N(C)C)cc2)[nH+]1 ZINC000853484407 637853124 /nfs/dbraw/zinc/85/31/24/637853124.db2.gz IOFQSWRDMBDFKT-CYBMUJFWSA-N 1 1 285.391 3.121 20 10 CGCDMO C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1cc(F)cc(F)c1O ZINC000927160052 638848855 /nfs/dbraw/zinc/84/88/55/638848855.db2.gz KOURAWFRMZMAJF-YGRLFVJLSA-N 1 1 297.345 3.423 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@H]2c2ccnn2C)ccc1N(C)C ZINC000932261379 639304140 /nfs/dbraw/zinc/30/41/40/639304140.db2.gz OVCLITNGWAKEGE-SFHVURJKSA-N 1 1 298.434 3.132 20 10 CGCDMO Oc1c(Cl)cccc1CN1CC[NH+](C2CCCC2)CC1 ZINC000158025824 639997121 /nfs/dbraw/zinc/99/71/21/639997121.db2.gz NDEXRNRRGCCPRE-UHFFFAOYSA-N 1 1 294.826 3.106 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C)C2)cc1 ZINC000248215282 640747697 /nfs/dbraw/zinc/74/76/97/640747697.db2.gz ZNSAIRQVKJEYQE-HZPDHXFCSA-N 1 1 289.467 3.135 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCO[C@](C)(c3ccccc3)C2)c1 ZINC000093341944 640769526 /nfs/dbraw/zinc/76/95/26/640769526.db2.gz OHCVSDBLHRVRHL-IBGZPJMESA-N 1 1 297.398 3.448 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)CCC(=O)OC(C)(C)C)cc1C ZINC000093686615 640779769 /nfs/dbraw/zinc/77/97/69/640779769.db2.gz ZTURGGIUNKXLIX-UHFFFAOYSA-N 1 1 293.407 3.173 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)C1CCC(OC)CC1 ZINC001255462781 806645407 /nfs/dbraw/zinc/64/54/07/806645407.db2.gz AANHEHFKPPUUFH-UHFFFAOYSA-N 1 1 263.381 3.172 20 10 CGCDMO Oc1cccc2c1C[N@H+](Cc1cc(F)ccc1F)CC2 ZINC000090557992 798952667 /nfs/dbraw/zinc/95/26/67/798952667.db2.gz YVRWYILBACZNLR-UHFFFAOYSA-N 1 1 275.298 3.229 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1cc(F)ccc1F)CC2 ZINC000090557992 798952669 /nfs/dbraw/zinc/95/26/69/798952669.db2.gz YVRWYILBACZNLR-UHFFFAOYSA-N 1 1 275.298 3.229 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)c1O ZINC000250410515 799162322 /nfs/dbraw/zinc/16/23/22/799162322.db2.gz YEDOJHPOOKVNGV-KBPBESRZSA-N 1 1 275.392 3.413 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1O ZINC000380370012 799362111 /nfs/dbraw/zinc/36/21/11/799362111.db2.gz SJBQZRVUXYUKSA-OKILXGFUSA-N 1 1 293.794 3.336 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1O ZINC000380370012 799362119 /nfs/dbraw/zinc/36/21/19/799362119.db2.gz SJBQZRVUXYUKSA-OKILXGFUSA-N 1 1 293.794 3.336 20 10 CGCDMO C[C@H]([NH2+][C@@H](CO)C1CCCCC1)c1ccc(F)cc1O ZINC000395239761 799504295 /nfs/dbraw/zinc/50/42/95/799504295.db2.gz YHUZLWUXORTJGA-NHYWBVRUSA-N 1 1 281.371 3.123 20 10 CGCDMO Oc1cccc2c1[C@H]([NH2+][C@H]1CCCC1(F)F)CC2 ZINC000397970195 799524030 /nfs/dbraw/zinc/52/40/30/799524030.db2.gz SYFGPHYPLPHLRS-PWSUYJOCSA-N 1 1 253.292 3.157 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)c1csnn1)c1ccccc1O ZINC000398468579 799531005 /nfs/dbraw/zinc/53/10/05/799531005.db2.gz MLJATRXAHLCVBF-MWLCHTKSSA-N 1 1 263.366 3.046 20 10 CGCDMO CCOc1cccc(C[N@@H+]2C[C@@H](CC)O[C@@H](CC)C2)c1O ZINC000398733698 799533306 /nfs/dbraw/zinc/53/33/06/799533306.db2.gz NJEOIEJDHMFRKY-GASCZTMLSA-N 1 1 293.407 3.180 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@@H](OC)CC[C@@H]2C)c1O ZINC000687207165 799736939 /nfs/dbraw/zinc/73/69/39/799736939.db2.gz GEIOILOXJQAYFI-GWCFXTLKSA-N 1 1 299.798 3.054 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccc(F)cc1O ZINC000693908961 799817421 /nfs/dbraw/zinc/81/74/21/799817421.db2.gz CLBNUSQITYOUBW-AAEUAGOBSA-N 1 1 280.387 3.055 20 10 CGCDMO Cc1nc(C)c(C[NH2+]Cc2cc(F)cc(F)c2O)s1 ZINC000708550600 799992669 /nfs/dbraw/zinc/99/26/69/799992669.db2.gz YRZSHPVJOZZUJI-UHFFFAOYSA-N 1 1 284.331 3.034 20 10 CGCDMO CCOC[C@H]1CCCC[N@H+]1Cc1cccc(CC)c1O ZINC000709322256 800006474 /nfs/dbraw/zinc/00/64/74/800006474.db2.gz XCPZXQOMYOODES-MRXNPFEDSA-N 1 1 277.408 3.346 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1N(C)C)c1ccc(F)cc1O ZINC001117113493 802433904 /nfs/dbraw/zinc/43/39/04/802433904.db2.gz VUOCKUBHICHKDB-XHSDSOJGSA-N 1 1 294.414 3.445 20 10 CGCDMO CCOc1cccc(C[N@H+]2C[C@H](C)CC23CC3)c1O ZINC001203614920 812407386 /nfs/dbraw/zinc/40/73/86/812407386.db2.gz GXQPQTLKYYGPLZ-GFCCVEGCSA-N 1 1 261.365 3.165 20 10 CGCDMO CC[N@@H+](Cc1ccc(Cl)cn1)Cc1ccccc1O ZINC001136931837 803660538 /nfs/dbraw/zinc/66/05/38/803660538.db2.gz XUUVLNBMEBKCLD-UHFFFAOYSA-N 1 1 276.767 3.463 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)Cc1cnccc1Cl ZINC001137237986 803702215 /nfs/dbraw/zinc/70/22/15/803702215.db2.gz NCOYTTCXJBVGEL-UHFFFAOYSA-N 1 1 276.767 3.463 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1cnccc1Cl ZINC001137237986 803702218 /nfs/dbraw/zinc/70/22/18/803702218.db2.gz NCOYTTCXJBVGEL-UHFFFAOYSA-N 1 1 276.767 3.463 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001137831703 803777335 /nfs/dbraw/zinc/77/73/35/803777335.db2.gz KOCURGCEIKJVRZ-GFCCVEGCSA-N 1 1 277.261 3.101 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001137831703 803777342 /nfs/dbraw/zinc/77/73/42/803777342.db2.gz KOCURGCEIKJVRZ-GFCCVEGCSA-N 1 1 277.261 3.101 20 10 CGCDMO C[C@]1(F)CCCC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137832618 803778474 /nfs/dbraw/zinc/77/84/74/803778474.db2.gz BJSSUJJNRNOVMT-AWEZNQCLSA-N 1 1 255.308 3.245 20 10 CGCDMO C[C@]1(F)CCCC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137832618 803778481 /nfs/dbraw/zinc/77/84/81/803778481.db2.gz BJSSUJJNRNOVMT-AWEZNQCLSA-N 1 1 255.308 3.245 20 10 CGCDMO Cc1c(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)c2ccccc2n1C ZINC001138252347 803879965 /nfs/dbraw/zinc/87/99/65/803879965.db2.gz CZONYFUMDRWKAV-FZKQIMNGSA-N 1 1 286.419 3.080 20 10 CGCDMO Cc1c(C[N@@H+]2C[C@H](F)C[C@H]2C)c2ccccc2n1C ZINC001138252316 803880164 /nfs/dbraw/zinc/88/01/64/803880164.db2.gz BVLPICIRQVIHLX-DGCLKSJQSA-N 1 1 260.356 3.419 20 10 CGCDMO Cc1c(C[N@H+]2CC[C@](C)(O)[C@@H](C)C2)c2ccccc2n1C ZINC001138252473 803880724 /nfs/dbraw/zinc/88/07/24/803880724.db2.gz IBGQEUQJNHGZJC-UGSOOPFHSA-N 1 1 286.419 3.080 20 10 CGCDMO CCN(CC)[C@H]1CC[N@H+](Cc2c3ccccc3n(C)c2C)C1 ZINC001138257910 803881569 /nfs/dbraw/zinc/88/15/69/803881569.db2.gz CPIFAWPFSIQYOP-INIZCTEOSA-N 1 1 299.462 3.403 20 10 CGCDMO CCN(CC)[C@H]1CC[N@@H+](Cc2c3ccccc3n(C)c2C)C1 ZINC001138257910 803881574 /nfs/dbraw/zinc/88/15/74/803881574.db2.gz CPIFAWPFSIQYOP-INIZCTEOSA-N 1 1 299.462 3.403 20 10 CGCDMO Cc1c(C[N@@H+](C)C2CCOCC2)c2ccccc2n1C ZINC001138252861 803882194 /nfs/dbraw/zinc/88/21/94/803882194.db2.gz XAGWVTPWCZMDLW-UHFFFAOYSA-N 1 1 272.392 3.098 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2c(C)n(C)c3ccccc32)[C@H](C)C1 ZINC001138260753 803886431 /nfs/dbraw/zinc/88/64/31/803886431.db2.gz RDLGEFOALUJIML-UKRRQHHQSA-N 1 1 286.419 3.486 20 10 CGCDMO Oc1c(C[N@H+]2CCCC23CC3)cc2c3c1CCCN3CCC2 ZINC001138338983 803898471 /nfs/dbraw/zinc/89/84/71/803898471.db2.gz YSLTYTWYTDTXLA-UHFFFAOYSA-N 1 1 298.430 3.219 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CC[C@@](C)(CF)C3)ccc21 ZINC001138354337 803900679 /nfs/dbraw/zinc/90/06/79/803900679.db2.gz FULZQUUUDPMYKU-KRWDZBQOSA-N 1 1 276.399 3.251 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CC[C@](C)(CF)C3)ccc21 ZINC001138354338 803900710 /nfs/dbraw/zinc/90/07/10/803900710.db2.gz FULZQUUUDPMYKU-QGZVFWFLSA-N 1 1 276.399 3.251 20 10 CGCDMO Cc1cc(C[N@@H+]2CCc3cccc(O)c3C2)cnc1Cl ZINC001139546050 804203031 /nfs/dbraw/zinc/20/30/31/804203031.db2.gz GAACXXALRKTEJL-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1cc(C[N@H+]2CCc3cccc(O)c3C2)cnc1Cl ZINC001139546050 804203036 /nfs/dbraw/zinc/20/30/36/804203036.db2.gz GAACXXALRKTEJL-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cnccc1OC ZINC001139609697 804225437 /nfs/dbraw/zinc/22/54/37/804225437.db2.gz OXGHILQZVNNNJD-UHFFFAOYSA-N 1 1 299.418 3.178 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccnc(F)c1 ZINC001139833506 804293939 /nfs/dbraw/zinc/29/39/39/804293939.db2.gz FDYKRBZNPDPSBJ-UHFFFAOYSA-N 1 1 299.393 3.453 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+]2CC[C@H](OC(C)C)C2)c1O ZINC001140184002 804396789 /nfs/dbraw/zinc/39/67/89/804396789.db2.gz JPYKBWXFIUBSMR-AWEZNQCLSA-N 1 1 263.381 3.008 20 10 CGCDMO Cc1cc(C[N@@H+](C)Cc2ccccc2O)c(C)cc1O ZINC001140202724 804402476 /nfs/dbraw/zinc/40/24/76/804402476.db2.gz WHORNBXTNRAESZ-UHFFFAOYSA-N 1 1 271.360 3.347 20 10 CGCDMO CCCCC[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140281897 804408712 /nfs/dbraw/zinc/40/87/12/804408712.db2.gz SJEPTECBAVBXKG-UHFFFAOYSA-N 1 1 290.451 3.270 20 10 CGCDMO CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(Cl)cc1[O-] ZINC001140464566 804440864 /nfs/dbraw/zinc/44/08/64/804440864.db2.gz VMVRELVCWIXBCQ-UHFFFAOYSA-N 1 1 284.831 3.209 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@@H+]1CCOc2ccccc2C1 ZINC001140467607 804444170 /nfs/dbraw/zinc/44/41/70/804444170.db2.gz ZLEWGEXPGGYCJH-UHFFFAOYSA-N 1 1 289.762 3.440 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCOc2ccccc2C1 ZINC001140467607 804444173 /nfs/dbraw/zinc/44/41/73/804444173.db2.gz ZLEWGEXPGGYCJH-UHFFFAOYSA-N 1 1 289.762 3.440 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CCC[C@H]2c2nccs2)c1O ZINC001140749057 804504696 /nfs/dbraw/zinc/50/46/96/804504696.db2.gz POWVJHFNOLJQAM-LBPRGKRZSA-N 1 1 290.388 3.200 20 10 CGCDMO Cc1c(O)ccc(C[N@@H+](C)CC/C=C/c2cccnc2)c1O ZINC001140747965 804504846 /nfs/dbraw/zinc/50/48/46/804504846.db2.gz PNFUTKOWASETOI-ZZXKWVIFSA-N 1 1 298.386 3.337 20 10 CGCDMO Cc1c[nH]c(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1C ZINC001140863665 804537291 /nfs/dbraw/zinc/53/72/91/804537291.db2.gz AEMJZOAMCJVYEX-UHFFFAOYSA-N 1 1 271.408 3.330 20 10 CGCDMO COC[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1Cl ZINC001140922088 804548649 /nfs/dbraw/zinc/54/86/49/804548649.db2.gz HAPCARLDCFXQFC-OAHLLOKOSA-N 1 1 296.842 3.407 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@H]2C3)c(Cl)c1 ZINC001140924052 804550993 /nfs/dbraw/zinc/55/09/93/804550993.db2.gz BZCSYKGPCSMMOD-SMDDNHRTSA-N 1 1 264.800 3.390 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@H](c3ccccn3)C2)c(O)c1 ZINC001140949864 804556311 /nfs/dbraw/zinc/55/63/11/804556311.db2.gz OAXLKWMUDTUHFI-HNNXBMFYSA-N 1 1 282.387 3.475 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@H](C(=O)c3ccccc3)C2)c(O)c1 ZINC001140954085 804557698 /nfs/dbraw/zinc/55/76/98/804557698.db2.gz LDXAYGBFECQMOD-KRWDZBQOSA-N 1 1 295.382 3.405 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCN(C)[C@H](c3ccccc3)C2)c(O)c1 ZINC001140950057 804558833 /nfs/dbraw/zinc/55/88/33/804558833.db2.gz SRVLKBHGCNBHKK-SFHVURJKSA-N 1 1 296.414 3.189 20 10 CGCDMO CCCCc1ncc(C[N@@H+](CC)Cc2ccccc2O)[nH]1 ZINC001141071596 804584550 /nfs/dbraw/zinc/58/45/50/804584550.db2.gz WCNVZIGVEPDHSQ-UHFFFAOYSA-N 1 1 287.407 3.480 20 10 CGCDMO CCCCc1nc(C[N@H+](CC)Cc2ccccc2O)c[nH]1 ZINC001141071596 804584554 /nfs/dbraw/zinc/58/45/54/804584554.db2.gz WCNVZIGVEPDHSQ-UHFFFAOYSA-N 1 1 287.407 3.480 20 10 CGCDMO CCCCc1nc(C[N@@H+](CC)Cc2ccccc2O)c[nH]1 ZINC001141071596 804584559 /nfs/dbraw/zinc/58/45/59/804584559.db2.gz WCNVZIGVEPDHSQ-UHFFFAOYSA-N 1 1 287.407 3.480 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCCN3C)[C@H](C)C1 ZINC001141143546 804597446 /nfs/dbraw/zinc/59/74/46/804597446.db2.gz DAGVYEHAACNLDC-ZIAGYGMSSA-N 1 1 274.408 3.136 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CCC3(C2)CCCCC3)c1 ZINC001141162736 804601738 /nfs/dbraw/zinc/60/17/38/804601738.db2.gz BMZMIXFEROQOBM-UHFFFAOYSA-N 1 1 261.365 3.254 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001141160443 804602125 /nfs/dbraw/zinc/60/21/25/804602125.db2.gz YPGPBZPRIONTPC-OLZOCXBDSA-N 1 1 261.365 3.110 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CC[C@H](F)C2)c1O ZINC001143103898 804801303 /nfs/dbraw/zinc/80/13/03/804801303.db2.gz MRWNVADSRZFZCG-LBPRGKRZSA-N 1 1 251.345 3.234 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CCC[C@]23CCOC3)c1O ZINC001143112310 804803590 /nfs/dbraw/zinc/80/35/90/804803590.db2.gz PSHYLNSTRXANER-GOSISDBHSA-N 1 1 289.419 3.445 20 10 CGCDMO CCN1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)[C@H](C)C1 ZINC001143117252 804804900 /nfs/dbraw/zinc/80/49/00/804804900.db2.gz ZWTOIIDEHADECF-CQSZACIVSA-N 1 1 290.451 3.216 20 10 CGCDMO CC[N@@H+]1CCN(Cc2cccc(C(C)(C)C)c2O)[C@H](C)C1 ZINC001143117252 804804907 /nfs/dbraw/zinc/80/49/07/804804907.db2.gz ZWTOIIDEHADECF-CQSZACIVSA-N 1 1 290.451 3.216 20 10 CGCDMO CC[N@H+]1CCN(Cc2cccc(C(C)(C)C)c2O)[C@H](C)C1 ZINC001143117252 804804913 /nfs/dbraw/zinc/80/49/13/804804913.db2.gz ZWTOIIDEHADECF-CQSZACIVSA-N 1 1 290.451 3.216 20 10 CGCDMO C[C@@H]1CCC[N@@H+]1Cc1cc(Br)c(F)cc1O ZINC001144299116 804970644 /nfs/dbraw/zinc/97/06/44/804970644.db2.gz PPGWPFHOVKQLAK-MRVPVSSYSA-N 1 1 288.160 3.278 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@@H]1CCCC12CCOCC2 ZINC001167735196 807237102 /nfs/dbraw/zinc/23/71/02/807237102.db2.gz UZKOMLXMURLJED-INIZCTEOSA-N 1 1 289.419 3.421 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167958057 807286563 /nfs/dbraw/zinc/28/65/63/807286563.db2.gz YBDSTJXZSDXVRI-SCAQPMJSSA-N 1 1 258.409 3.373 20 10 CGCDMO C[C@H]1C[N@H+](Cc2ccc(N)cc2)[C@H](c2ccccc2)CO1 ZINC001262488213 807868331 /nfs/dbraw/zinc/86/83/31/807868331.db2.gz UTDHFUBQQHAGQF-KSSFIOAISA-N 1 1 282.387 3.231 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(N)cc2)[C@H](c2ccccc2)CO1 ZINC001262488213 807868337 /nfs/dbraw/zinc/86/83/37/807868337.db2.gz UTDHFUBQQHAGQF-KSSFIOAISA-N 1 1 282.387 3.231 20 10 CGCDMO Cc1ccc(OCC[N@H+](C)Cc2ccc(N)cc2)cc1 ZINC001262487579 807868410 /nfs/dbraw/zinc/86/84/10/807868410.db2.gz YMADOYPSNKDNBW-UHFFFAOYSA-N 1 1 270.376 3.088 20 10 CGCDMO CCOCC[C@@H](C)[N@@H+](CC)Cc1ccc(N(C)C)cc1 ZINC001172425938 808304246 /nfs/dbraw/zinc/30/42/46/808304246.db2.gz FQDPDXYGOGQZRY-OAHLLOKOSA-N 1 1 278.440 3.390 20 10 CGCDMO CCOc1ccc(N2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cc1 ZINC001276926121 809045867 /nfs/dbraw/zinc/04/58/67/809045867.db2.gz OADFFLYFCIDLHS-GOSISDBHSA-N 1 1 288.435 3.398 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](CCO)C1CCCCC1 ZINC001179850149 809950753 /nfs/dbraw/zinc/95/07/53/809950753.db2.gz RWNOHVPVOQEAOY-UHFFFAOYSA-N 1 1 290.451 3.188 20 10 CGCDMO [O-]c1cc(F)c(F)cc1C[N@H+]1CCCC2(CC2)C1 ZINC001181113450 810038210 /nfs/dbraw/zinc/03/82/10/810038210.db2.gz OPLHKRWNRPETKU-UHFFFAOYSA-N 1 1 253.292 3.046 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCCC2(CC2)C1 ZINC001181113450 810038214 /nfs/dbraw/zinc/03/82/14/810038214.db2.gz OPLHKRWNRPETKU-UHFFFAOYSA-N 1 1 253.292 3.046 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCCC2(CC2)C1 ZINC001181113450 810038219 /nfs/dbraw/zinc/03/82/19/810038219.db2.gz OPLHKRWNRPETKU-UHFFFAOYSA-N 1 1 253.292 3.046 20 10 CGCDMO C=Cn1cc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001181556594 810059117 /nfs/dbraw/zinc/05/91/17/810059117.db2.gz ZNCZWNZYCQKVAY-UHFFFAOYSA-N 1 1 296.418 3.216 20 10 CGCDMO OCC1([NH2+]Cc2cc(F)c(F)cc2O)CCCCCCC1 ZINC001183409526 810148225 /nfs/dbraw/zinc/14/82/25/810148225.db2.gz MXDRZWWJIUBGGV-UHFFFAOYSA-N 1 1 299.361 3.235 20 10 CGCDMO Oc1cc(Cl)ccc1C[NH2+]C1(C2CC2)CCC1 ZINC001183789822 810161370 /nfs/dbraw/zinc/16/13/70/810161370.db2.gz ZIJHZMJDTHQKFK-UHFFFAOYSA-N 1 1 251.757 3.468 20 10 CGCDMO Oc1cc2c(cc1O)C[N@@H+](C[C@@H]1CC=CCC1)CCC2 ZINC001201421679 811838675 /nfs/dbraw/zinc/83/86/75/811838675.db2.gz DDGCVDLDPQARAO-CYBMUJFWSA-N 1 1 273.376 3.202 20 10 CGCDMO CCC[C@@H](C)C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001201554085 811901614 /nfs/dbraw/zinc/90/16/14/811901614.db2.gz UCCBJYUBWCYDIW-GFCCVEGCSA-N 1 1 263.381 3.282 20 10 CGCDMO CCCCCC[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001201756334 811960665 /nfs/dbraw/zinc/96/06/65/811960665.db2.gz JPWSXWLZYNPINO-UHFFFAOYSA-N 1 1 263.381 3.426 20 10 CGCDMO Cc1ccc([C@@]2(C)C[N@@H+](Cc3ccccc3O)CCO2)cc1 ZINC001203556971 812391681 /nfs/dbraw/zinc/39/16/81/812391681.db2.gz XRVKFTPLNQAPIW-LJQANCHMSA-N 1 1 297.398 3.448 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@@H+]1CCc2occc2C1 ZINC001203664544 812421792 /nfs/dbraw/zinc/42/17/92/812421792.db2.gz JXQPDIIERVEYSF-UHFFFAOYSA-N 1 1 263.724 3.197 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCc2occc2C1 ZINC001203664544 812421795 /nfs/dbraw/zinc/42/17/95/812421795.db2.gz JXQPDIIERVEYSF-UHFFFAOYSA-N 1 1 263.724 3.197 20 10 CGCDMO CC[N@H+](Cc1ccc(O)c(O)c1)Cc1ccccc1F ZINC001203880714 812477991 /nfs/dbraw/zinc/47/79/91/812477991.db2.gz WWYHAGYRZLHLRI-UHFFFAOYSA-N 1 1 275.323 3.259 20 10 CGCDMO CC[N@@H+](Cc1ccc(O)c(O)c1)Cc1ccccc1F ZINC001203880714 812477995 /nfs/dbraw/zinc/47/79/95/812477995.db2.gz WWYHAGYRZLHLRI-UHFFFAOYSA-N 1 1 275.323 3.259 20 10 CGCDMO Oc1ccc(C[N@H+]2CC[C@H](c3ccccc3F)C2)cc1O ZINC001203882739 812479749 /nfs/dbraw/zinc/47/97/49/812479749.db2.gz TUXBBAJWTDTKSS-ZDUSSCGKSA-N 1 1 287.334 3.226 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](C)N(C)C[C@H]2C)cc1 ZINC001203940303 812497989 /nfs/dbraw/zinc/49/79/89/812497989.db2.gz LOWNESJHDCXDPB-JKSUJKDBSA-N 1 1 289.467 3.057 20 10 CGCDMO CCN(CC)c1ccc(CN2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC001203940303 812497992 /nfs/dbraw/zinc/49/79/92/812497992.db2.gz LOWNESJHDCXDPB-JKSUJKDBSA-N 1 1 289.467 3.057 20 10 CGCDMO CCN(CC)c1ccc(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC001203940303 812497997 /nfs/dbraw/zinc/49/79/97/812497997.db2.gz LOWNESJHDCXDPB-JKSUJKDBSA-N 1 1 289.467 3.057 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2CO)c2ccccc21 ZINC001204233013 812580330 /nfs/dbraw/zinc/58/03/30/812580330.db2.gz NGJMYDAYMUZIJN-MRXNPFEDSA-N 1 1 298.430 3.253 20 10 CGCDMO C[C@H]1COCC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204233570 812580615 /nfs/dbraw/zinc/58/06/15/812580615.db2.gz RPMRTGZEHFDZQO-OAHLLOKOSA-N 1 1 298.430 3.374 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)CC[C@H]1O ZINC001204234157 812581800 /nfs/dbraw/zinc/58/18/00/812581800.db2.gz XRHWZGRCYOEVFM-IFXJQAMLSA-N 1 1 298.430 3.109 20 10 CGCDMO C[N@@H+](C/C=C/c1ccccc1)Cc1ccc(O)cc1O ZINC001204281095 812596190 /nfs/dbraw/zinc/59/61/90/812596190.db2.gz QMGHSRMLHJPTFV-VMPITWQZSA-N 1 1 269.344 3.243 20 10 CGCDMO FC[C@H]1CCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204329804 812614306 /nfs/dbraw/zinc/61/43/06/812614306.db2.gz YUOOAPMDMCEWFR-MRXNPFEDSA-N 1 1 262.372 3.221 20 10 CGCDMO FC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204327510 812614245 /nfs/dbraw/zinc/61/42/45/812614245.db2.gz WRXMPURLTCTXHM-INIZCTEOSA-N 1 1 276.399 3.468 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(CN2CCC([NH3+])CC2)cc1 ZINC001204646422 812700580 /nfs/dbraw/zinc/70/05/80/812700580.db2.gz RYHLLEPADUWVTQ-UHFFFAOYSA-N 1 1 283.419 3.017 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1O ZINC001204892077 812766297 /nfs/dbraw/zinc/76/62/97/812766297.db2.gz UVQSMCLMMBEVAP-HIFRSBDPSA-N 1 1 275.392 3.474 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+]C/C=C\c1ccccc1 ZINC001204983571 812811085 /nfs/dbraw/zinc/81/10/85/812811085.db2.gz BKKPKYLSCAPWBS-DAXSKMNVSA-N 1 1 275.298 3.473 20 10 CGCDMO C[NH2+]C[C@H]1CCCN(Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001205018378 812828111 /nfs/dbraw/zinc/82/81/11/812828111.db2.gz UEXAZHXNVGJKMY-CQSZACIVSA-N 1 1 290.451 3.121 20 10 CGCDMO C[C@]1([NH3+])CCC[N@H+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001205288596 812931819 /nfs/dbraw/zinc/93/18/19/812931819.db2.gz LUPYAYYDDOWXDI-SFHVURJKSA-N 1 1 284.403 3.249 20 10 CGCDMO C[C@]1([NH3+])CCC[N@@H+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001205288596 812931826 /nfs/dbraw/zinc/93/18/26/812931826.db2.gz LUPYAYYDDOWXDI-SFHVURJKSA-N 1 1 284.403 3.249 20 10 CGCDMO Cc1c(C[N@@H+]2C[C@H](C)CC[C@@H]2CN)c2ccccc2n1C ZINC001205814280 813091310 /nfs/dbraw/zinc/09/13/10/813091310.db2.gz BYCMBKQLHVRODL-UKRRQHHQSA-N 1 1 285.435 3.046 20 10 CGCDMO Cc1c(C[N@H+]2C[C@H](C)CC[C@@H]2CN)c2ccccc2n1C ZINC001205814280 813091317 /nfs/dbraw/zinc/09/13/17/813091317.db2.gz BYCMBKQLHVRODL-UKRRQHHQSA-N 1 1 285.435 3.046 20 10 CGCDMO C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC001205913895 813130575 /nfs/dbraw/zinc/13/05/75/813130575.db2.gz KLYXUCPOSNTVOB-UKRRQHHQSA-N 1 1 284.403 3.105 20 10 CGCDMO C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC001205913895 813130580 /nfs/dbraw/zinc/13/05/80/813130580.db2.gz KLYXUCPOSNTVOB-UKRRQHHQSA-N 1 1 284.403 3.105 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2cc3ccccc3cc2[O-])CCC[C@@H]1C[NH3+] ZINC001206021805 813169212 /nfs/dbraw/zinc/16/92/12/813169212.db2.gz BDGQDNVPWTTYJQ-RHSMWYFYSA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2[O-])CCC[C@@H]1C[NH3+] ZINC001206021805 813169217 /nfs/dbraw/zinc/16/92/17/813169217.db2.gz BDGQDNVPWTTYJQ-RHSMWYFYSA-N 1 1 298.430 3.352 20 10 CGCDMO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(F)cc2O)C1 ZINC001206400227 813314261 /nfs/dbraw/zinc/31/42/61/813314261.db2.gz HQQCPMYNIJZPJF-PHIMTYICSA-N 1 1 285.334 3.106 20 10 CGCDMO Cc1cc(C[N@@H+]2CCCC[C@@](C)(CN)C2)ccc1N(C)C ZINC001206556782 813351307 /nfs/dbraw/zinc/35/13/07/813351307.db2.gz XEJRZVZUZFIWIO-SFHVURJKSA-N 1 1 289.467 3.012 20 10 CGCDMO Cc1cc(C[N@H+]2CCCC[C@@](C)(CN)C2)ccc1N(C)C ZINC001206556782 813351313 /nfs/dbraw/zinc/35/13/13/813351313.db2.gz XEJRZVZUZFIWIO-SFHVURJKSA-N 1 1 289.467 3.012 20 10 CGCDMO Oc1cc(Cl)ccc1C[NH2+][C@H]1CCCC12CC2 ZINC001207066877 813478988 /nfs/dbraw/zinc/47/89/88/813478988.db2.gz LKHIBJYXYDBLMO-ZDUSSCGKSA-N 1 1 251.757 3.468 20 10 CGCDMO Oc1cc2c(cc1O)C[N@@H+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)CCC2 ZINC001207632940 813622872 /nfs/dbraw/zinc/62/28/72/813622872.db2.gz WEMCWTUQPGHSEF-CFVMTHIKSA-N 1 1 285.387 3.058 20 10 CGCDMO COc1ccc2c(c1)c1c(n2C)CC[N@H+](C[C@@H]2C[C@H]2C)C1 ZINC001209421827 814024008 /nfs/dbraw/zinc/02/40/08/814024008.db2.gz PMTWTESFOWOBJE-OLZOCXBDSA-N 1 1 284.403 3.201 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+](C2CC2)C2COC2)cc1 ZINC001209519712 814072764 /nfs/dbraw/zinc/07/27/64/814072764.db2.gz GKXMNNPBMGVORP-UHFFFAOYSA-N 1 1 296.414 3.457 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+](C2CC2)C2COC2)cc1 ZINC001209519712 814072771 /nfs/dbraw/zinc/07/27/71/814072771.db2.gz GKXMNNPBMGVORP-UHFFFAOYSA-N 1 1 296.414 3.457 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)cc1 ZINC001209520532 814073554 /nfs/dbraw/zinc/07/35/54/814073554.db2.gz ZXWCPVXZGMLKFA-PKOBYXMFSA-N 1 1 296.414 3.315 20 10 CGCDMO Nc1ccc(O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001218178873 816118263 /nfs/dbraw/zinc/11/82/63/816118263.db2.gz UIJBJPLDIZYCPM-SFHVURJKSA-N 1 1 282.387 3.312 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)c1O ZINC001231591154 818132316 /nfs/dbraw/zinc/13/23/16/818132316.db2.gz UPUYEEYWMZTLFR-GFCCVEGCSA-N 1 1 273.298 3.270 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCC[C@]3(CCOC3)C2)c(O)c1 ZINC001231845036 818187167 /nfs/dbraw/zinc/18/71/67/818187167.db2.gz WFUKCSUSNLPNJK-KRWDZBQOSA-N 1 1 275.392 3.012 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@@H](N3CCCCC3)C2)c(O)c1 ZINC001231845863 818187181 /nfs/dbraw/zinc/18/71/81/818187181.db2.gz RPZYUAMSKGREQW-MRXNPFEDSA-N 1 1 288.435 3.069 20 10 CGCDMO Cc1cc(C)c(CN2CC[C@@H]([NH+]3CCCCC3)C2)c(O)c1 ZINC001231845863 818187187 /nfs/dbraw/zinc/18/71/87/818187187.db2.gz RPZYUAMSKGREQW-MRXNPFEDSA-N 1 1 288.435 3.069 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](C)[C@H]1C ZINC001231853883 818188723 /nfs/dbraw/zinc/18/87/23/818188723.db2.gz SXSOTUVFXTTYCV-UONOGXRCSA-N 1 1 276.424 3.382 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@@H+](C)C[C@H]1CC1(C)C ZINC001231855445 818189203 /nfs/dbraw/zinc/18/92/03/818189203.db2.gz UTVCCFCCYZVCAP-CQSZACIVSA-N 1 1 276.424 3.239 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](F)CC1 ZINC001231849804 818189297 /nfs/dbraw/zinc/18/92/97/818189297.db2.gz ZLXCUGFEEYXZRA-CQSZACIVSA-N 1 1 280.387 3.085 20 10 CGCDMO CN(C)C[C@@H]1CCC[N@H+]1Cc1ccc2ccccc2c1O ZINC001231882722 818201560 /nfs/dbraw/zinc/20/15/60/818201560.db2.gz SVRQITUEKBADHP-INIZCTEOSA-N 1 1 284.403 3.071 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@]1(C)O ZINC001231909899 818209122 /nfs/dbraw/zinc/20/91/22/818209122.db2.gz SVMQCKITFJOTBM-NHYWBVRUSA-N 1 1 283.799 3.029 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)cc1Cl ZINC001232257955 818294742 /nfs/dbraw/zinc/29/47/42/818294742.db2.gz NLYWMRCETJHOPJ-GHMZBOCLSA-N 1 1 281.783 3.373 20 10 CGCDMO CCc1csc(C[N@H+](C)Cc2ccc(N(C)C)cc2)n1 ZINC001232474000 818362559 /nfs/dbraw/zinc/36/25/59/818362559.db2.gz LZYNLNNFNIEUSI-UHFFFAOYSA-N 1 1 289.448 3.404 20 10 CGCDMO CCc1csc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)n1 ZINC001232474000 818362564 /nfs/dbraw/zinc/36/25/64/818362564.db2.gz LZYNLNNFNIEUSI-UHFFFAOYSA-N 1 1 289.448 3.404 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)c(O)c1 ZINC001232835080 818451815 /nfs/dbraw/zinc/45/18/15/818451815.db2.gz VDPRLEXHVGLGFL-INIZCTEOSA-N 1 1 296.414 3.448 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2O)[C@H]1C ZINC001232839448 818453494 /nfs/dbraw/zinc/45/34/94/818453494.db2.gz OEWOYENZWYEHSA-OLZOCXBDSA-N 1 1 262.397 3.079 20 10 CGCDMO C[N@H+](Cc1cccc(Cl)c1)Cc1cc(O)c(O)c(O)c1 ZINC001233014282 818503608 /nfs/dbraw/zinc/50/36/08/818503608.db2.gz ZGJCAJVKERNHNY-UHFFFAOYSA-N 1 1 293.750 3.089 20 10 CGCDMO C[N@@H+](Cc1cccc(Cl)c1)Cc1cc(O)c(O)c(O)c1 ZINC001233014282 818503616 /nfs/dbraw/zinc/50/36/16/818503616.db2.gz ZGJCAJVKERNHNY-UHFFFAOYSA-N 1 1 293.750 3.089 20 10 CGCDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233286423 818567618 /nfs/dbraw/zinc/56/76/18/818567618.db2.gz TYBNGNJNABMRIC-WFASDCNBSA-N 1 1 277.408 3.035 20 10 CGCDMO Oc1ccc(F)c(F)c1C[NH+]1CCc2ccccc2CC1 ZINC001233334664 818585746 /nfs/dbraw/zinc/58/57/46/818585746.db2.gz PDLGGPOXZXQHEH-UHFFFAOYSA-N 1 1 289.325 3.271 20 10 CGCDMO Oc1ccc(F)c(F)c1C[NH+]1CCC(C(F)F)CC1 ZINC001233335381 818586831 /nfs/dbraw/zinc/58/68/31/818586831.db2.gz SMOYGUUYEOARDU-UHFFFAOYSA-N 1 1 277.261 3.148 20 10 CGCDMO Oc1c(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)cccc1-c1ccccc1 ZINC001234993923 818971423 /nfs/dbraw/zinc/97/14/23/818971423.db2.gz CTQDVVWVYIAMLA-IYBDPMFKSA-N 1 1 281.355 3.032 20 10 CGCDMO Cc1cc(C)c(CN2CCCC[C@@]23CCC[NH2+]C3)c(O)c1 ZINC001235179762 819026036 /nfs/dbraw/zinc/02/60/36/819026036.db2.gz SIXSWZHHSHDVSC-SFHVURJKSA-N 1 1 288.435 3.117 20 10 CGCDMO C[N@H+](Cc1ccon1)Cc1ccc(C(C)(C)C)cc1O ZINC001235677571 819138274 /nfs/dbraw/zinc/13/82/74/819138274.db2.gz FJBMZXUTBVWFDQ-UHFFFAOYSA-N 1 1 274.364 3.310 20 10 CGCDMO C[N@@H+](Cc1ccon1)Cc1ccc(C(C)(C)C)cc1O ZINC001235677571 819138277 /nfs/dbraw/zinc/13/82/77/819138277.db2.gz FJBMZXUTBVWFDQ-UHFFFAOYSA-N 1 1 274.364 3.310 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(CN(C)C[C@H]2CC[NH2+]C2)cc1 ZINC001235841972 819183984 /nfs/dbraw/zinc/18/39/84/819183984.db2.gz KUDPXRGWNFWQKE-SFHVURJKSA-N 1 1 297.446 3.135 20 10 CGCDMO CCc1ccc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c(O)c1 ZINC001236786402 819594787 /nfs/dbraw/zinc/59/47/87/819594787.db2.gz OSJRHFFZGCEXNG-OKILXGFUSA-N 1 1 281.346 3.432 20 10 CGCDMO CCc1ccc(C[N@@H+](C)CCc2ccncc2)c(O)c1 ZINC001236790397 819594855 /nfs/dbraw/zinc/59/48/55/819594855.db2.gz WSNXZEHQRXUFQZ-UHFFFAOYSA-N 1 1 270.376 3.024 20 10 CGCDMO COc1cc(O)c(C[N@@H+]2CCCC[C@@H](F)C2)c(Cl)c1 ZINC001236797490 819598008 /nfs/dbraw/zinc/59/80/08/819598008.db2.gz FOUBDQOFSCCJTN-SNVBAGLBSA-N 1 1 287.762 3.378 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCCC[C@@H](F)C2)c(Cl)c1 ZINC001236797490 819598014 /nfs/dbraw/zinc/59/80/14/819598014.db2.gz FOUBDQOFSCCJTN-SNVBAGLBSA-N 1 1 287.762 3.378 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC[C@@](C)(CF)C2)c(Cl)c1 ZINC001236797495 819598461 /nfs/dbraw/zinc/59/84/61/819598461.db2.gz FPUSCPKVDIZTIS-AWEZNQCLSA-N 1 1 287.762 3.236 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCCC2(C)C)c(Cl)c1 ZINC001236799005 819599871 /nfs/dbraw/zinc/59/98/71/819599871.db2.gz QSOAHWHHTXFZMR-UHFFFAOYSA-N 1 1 269.772 3.429 20 10 CGCDMO CC[C@H]1CCC[N@@H+]1Cc1ccc(OC)c(Cl)c1O ZINC001236808459 819601248 /nfs/dbraw/zinc/60/12/48/819601248.db2.gz AXIWMOYCOLZEDH-NSHDSACASA-N 1 1 269.772 3.429 20 10 CGCDMO CC[C@H]1CCC[N@H+]1Cc1ccc(OC)c(Cl)c1O ZINC001236808459 819601253 /nfs/dbraw/zinc/60/12/53/819601253.db2.gz AXIWMOYCOLZEDH-NSHDSACASA-N 1 1 269.772 3.429 20 10 CGCDMO COc1ccc(C[N@H+](C)C[C@@H]2CCCCO2)c(O)c1Cl ZINC001236808533 819601535 /nfs/dbraw/zinc/60/15/35/819601535.db2.gz CVCLWRRGLKCVBK-LBPRGKRZSA-N 1 1 299.798 3.055 20 10 CGCDMO COc1ccc(C[N@@H+](C)C[C@@H]2CCCCO2)c(O)c1Cl ZINC001236808533 819601539 /nfs/dbraw/zinc/60/15/39/819601539.db2.gz CVCLWRRGLKCVBK-LBPRGKRZSA-N 1 1 299.798 3.055 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCCC[C@@H]2C)c(Cl)c1 ZINC001236803032 819602960 /nfs/dbraw/zinc/60/29/60/819602960.db2.gz LURUCBAWXKBMIU-JTQLQIEISA-N 1 1 269.772 3.429 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CC[C@H](C(F)(F)F)C2)c(O)c1 ZINC001236811649 819604482 /nfs/dbraw/zinc/60/44/82/819604482.db2.gz USMYZAVVCTVVKE-JTQLQIEISA-N 1 1 289.297 3.093 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c(O)c1 ZINC001236808708 819604514 /nfs/dbraw/zinc/60/45/14/819604514.db2.gz RIIITRUQZYEKET-KBPBESRZSA-N 1 1 275.392 3.331 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc3ccccc3cc2O)CCC1=O ZINC001236828066 819609252 /nfs/dbraw/zinc/60/92/52/819609252.db2.gz ZKYFRUUNNZGVBI-CYBMUJFWSA-N 1 1 283.371 3.346 20 10 CGCDMO C[C@@]1(O)CCC[N@@H+](Cc2cc3ccccc3cc2O)CC1 ZINC001236827447 819609720 /nfs/dbraw/zinc/60/97/20/819609720.db2.gz SDLKANNCIVDMTM-GOSISDBHSA-N 1 1 285.387 3.282 20 10 CGCDMO COC[C@@H]1CCC[N@H+]1Cc1cc2ccccc2cc1O ZINC001236827171 819610490 /nfs/dbraw/zinc/61/04/90/819610490.db2.gz QOFGKDLCILMVLW-INIZCTEOSA-N 1 1 271.360 3.156 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@H+]1CCC[C@]12CCOC2 ZINC001236832796 819611827 /nfs/dbraw/zinc/61/18/27/819611827.db2.gz LMBPCIAYGUVUCT-GOSISDBHSA-N 1 1 283.371 3.300 20 10 CGCDMO CC1(C)C[N@@H+](Cc2cc3ccccc3cc2O)CCC1=O ZINC001236834409 819613500 /nfs/dbraw/zinc/61/35/00/819613500.db2.gz YNABZXVEBOOAKI-UHFFFAOYSA-N 1 1 283.371 3.346 20 10 CGCDMO C[N@H+](CCN1CCCC1)Cc1cc2ccccc2cc1O ZINC001236834525 819613886 /nfs/dbraw/zinc/61/38/86/819613886.db2.gz ZVCQKVBQRJJSOY-UHFFFAOYSA-N 1 1 284.403 3.073 20 10 CGCDMO C[N@@H+](CCN1CCCC1)Cc1cc2ccccc2cc1O ZINC001236834525 819613888 /nfs/dbraw/zinc/61/38/88/819613888.db2.gz ZVCQKVBQRJJSOY-UHFFFAOYSA-N 1 1 284.403 3.073 20 10 CGCDMO Cc1nc2c(o1)CC[N@H+](Cc1cc3ccccc3cc1O)C2 ZINC001236835112 819615490 /nfs/dbraw/zinc/61/54/90/819615490.db2.gz INBHBXYXLBPDTN-UHFFFAOYSA-N 1 1 294.354 3.400 20 10 CGCDMO Cc1nc2c(o1)CC[N@@H+](Cc1cc3ccccc3cc1O)C2 ZINC001236835112 819615494 /nfs/dbraw/zinc/61/54/94/819615494.db2.gz INBHBXYXLBPDTN-UHFFFAOYSA-N 1 1 294.354 3.400 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@H+]1CCN2CCCC[C@@H]2C1 ZINC001236842519 819618226 /nfs/dbraw/zinc/61/82/26/819618226.db2.gz WROZGDFXBWMQQO-GOSISDBHSA-N 1 1 296.414 3.216 20 10 CGCDMO CCC[N@@H+](Cc1cc(Cl)c(C)cc1[O-])C[C@@H]1CC[NH2+]C1 ZINC001236844053 819620267 /nfs/dbraw/zinc/62/02/67/819620267.db2.gz SLMTZCJMYVCPQK-CYBMUJFWSA-N 1 1 296.842 3.176 20 10 CGCDMO CCC[N@H+](Cc1cc(Cl)c(C)cc1[O-])C[C@@H]1CC[NH2+]C1 ZINC001236844053 819620269 /nfs/dbraw/zinc/62/02/69/819620269.db2.gz SLMTZCJMYVCPQK-CYBMUJFWSA-N 1 1 296.842 3.176 20 10 CGCDMO CC(C)c1ccc(C[NH+]2CCN(C3CCC3)CC2)c(O)c1 ZINC001237046304 819649698 /nfs/dbraw/zinc/64/96/98/819649698.db2.gz SWYJFRHMCKZNCR-UHFFFAOYSA-N 1 1 288.435 3.186 20 10 CGCDMO CCOc1ccc(C[N@@H+](C(C)C)C2CCOCC2)c(O)c1 ZINC001237047233 819650252 /nfs/dbraw/zinc/65/02/52/819650252.db2.gz JZEDVWFRPOZQIH-UHFFFAOYSA-N 1 1 293.407 3.180 20 10 CGCDMO CCN(CC)[C@@H]1CC[N@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237048136 819651825 /nfs/dbraw/zinc/65/18/25/819651825.db2.gz DIQQPIHEKSTONS-QGZVFWFLSA-N 1 1 290.451 3.432 20 10 CGCDMO CCN(CC)[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237048136 819651828 /nfs/dbraw/zinc/65/18/28/819651828.db2.gz DIQQPIHEKSTONS-QGZVFWFLSA-N 1 1 290.451 3.432 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@H]2CN(C)C)c(O)c1 ZINC001237048414 819652171 /nfs/dbraw/zinc/65/21/71/819652171.db2.gz FWDUQDKNATXNAJ-INIZCTEOSA-N 1 1 276.424 3.042 20 10 CGCDMO CC[N@@H+](Cc1c(O)ccc(F)c1Cl)C1CCOCC1 ZINC001237127259 819673574 /nfs/dbraw/zinc/67/35/74/819673574.db2.gz YAEVBWKBDKJMMJ-UHFFFAOYSA-N 1 1 287.762 3.186 20 10 CGCDMO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001237135545 819675073 /nfs/dbraw/zinc/67/50/73/819675073.db2.gz JOPZPQKKSBRINA-KPXOXKRLSA-N 1 1 289.272 3.201 20 10 CGCDMO Oc1ccc(C(F)(F)F)cc1C[N@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001237135545 819675077 /nfs/dbraw/zinc/67/50/77/819675077.db2.gz JOPZPQKKSBRINA-KPXOXKRLSA-N 1 1 289.272 3.201 20 10 CGCDMO Oc1ccc(C(F)(F)F)cc1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001237141004 819676853 /nfs/dbraw/zinc/67/68/53/819676853.db2.gz QZGHKFQZCLCNQV-JOYOIKCWSA-N 1 1 271.282 3.395 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001237489442 819761790 /nfs/dbraw/zinc/76/17/90/819761790.db2.gz HPRNEXVZAGLPAP-MRXNPFEDSA-N 1 1 282.387 3.303 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCCC[C@@](C)(F)C1 ZINC001237485796 819762061 /nfs/dbraw/zinc/76/20/61/819762061.db2.gz SUQYWXUUBVJPAN-OAHLLOKOSA-N 1 1 251.345 3.415 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)c1O ZINC001237682157 819805882 /nfs/dbraw/zinc/80/58/82/819805882.db2.gz ZMMCBKGQZVQXSV-PWSUYJOCSA-N 1 1 287.737 3.441 20 10 CGCDMO Cc1cc(Cl)cc(CN2CC[C@H]([N@H+](C)C(C)C)C2)c1O ZINC001237690220 819808645 /nfs/dbraw/zinc/80/86/45/819808645.db2.gz USPXBDHBCDOQGR-HNNXBMFYSA-N 1 1 296.842 3.269 20 10 CGCDMO CC[N@H+](Cc1cc(F)c(Cl)cc1O)C1CCOCC1 ZINC001237935302 819887796 /nfs/dbraw/zinc/88/77/96/819887796.db2.gz CFCZCNYMRQGARS-UHFFFAOYSA-N 1 1 287.762 3.186 20 10 CGCDMO CC[N@@H+](Cc1cc(F)c(Cl)cc1O)C1CCOCC1 ZINC001237935302 819887808 /nfs/dbraw/zinc/88/78/08/819887808.db2.gz CFCZCNYMRQGARS-UHFFFAOYSA-N 1 1 287.762 3.186 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001237942919 819889670 /nfs/dbraw/zinc/88/96/70/819889670.db2.gz FVLIECHURLGMHJ-BONVTDFDSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001237942919 819889684 /nfs/dbraw/zinc/88/96/84/819889684.db2.gz FVLIECHURLGMHJ-BONVTDFDSA-N 1 1 299.773 3.186 20 10 CGCDMO CCC[N@H+](CCOC)Cc1cc(F)c(Cl)cc1O ZINC001237946874 819891764 /nfs/dbraw/zinc/89/17/64/819891764.db2.gz NIUWRGJARRTMJK-UHFFFAOYSA-N 1 1 275.751 3.043 20 10 CGCDMO CCC[N@@H+](CCOC)Cc1cc(F)c(Cl)cc1O ZINC001237946874 819891772 /nfs/dbraw/zinc/89/17/72/819891772.db2.gz NIUWRGJARRTMJK-UHFFFAOYSA-N 1 1 275.751 3.043 20 10 CGCDMO CCCC[N@H+](CC(=O)OCC)Cc1cc(F)cc(C)c1O ZINC001238067274 819922123 /nfs/dbraw/zinc/92/21/23/819922123.db2.gz MUYQVCDNKIIOHL-UHFFFAOYSA-N 1 1 297.370 3.005 20 10 CGCDMO CCCC[N@@H+](CC(=O)OCC)Cc1cc(F)cc(C)c1O ZINC001238067274 819922130 /nfs/dbraw/zinc/92/21/30/819922130.db2.gz MUYQVCDNKIIOHL-UHFFFAOYSA-N 1 1 297.370 3.005 20 10 CGCDMO CC[N@H+](CCN1CCCCC1)Cc1cc(F)cc(C)c1O ZINC001238071475 819924631 /nfs/dbraw/zinc/92/46/31/819924631.db2.gz YCXXMGJGGMTFJN-UHFFFAOYSA-N 1 1 294.414 3.148 20 10 CGCDMO CC[N@@H+](CCN1CCCCC1)Cc1cc(F)cc(C)c1O ZINC001238071475 819924635 /nfs/dbraw/zinc/92/46/35/819924635.db2.gz YCXXMGJGGMTFJN-UHFFFAOYSA-N 1 1 294.414 3.148 20 10 CGCDMO CC(C)Cn1cc(-c2[nH+]ccc3c2ccn3C)cn1 ZINC001240872195 821381538 /nfs/dbraw/zinc/38/15/38/821381538.db2.gz NHROLWBXWVPMLP-UHFFFAOYSA-N 1 1 254.337 3.093 20 10 CGCDMO Cn1ccc2c1cc[nH+]c2-c1cnn(-c2ccccc2)c1 ZINC001241754109 822126337 /nfs/dbraw/zinc/12/63/37/822126337.db2.gz RSGAGWKLYTUIEB-UHFFFAOYSA-N 1 1 274.327 3.426 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC001339287319 936365263 /nfs/dbraw/zinc/36/52/63/936365263.db2.gz IOEARPGFKSXGPC-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2ccc(N)cc2)c1 ZINC001356083550 937152959 /nfs/dbraw/zinc/15/29/59/937152959.db2.gz SFPGYIWTNKEBAZ-GOSISDBHSA-N 1 1 296.414 3.485 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCC[C@@H](F)CC2)c1O ZINC001140178609 931957059 /nfs/dbraw/zinc/95/70/59/931957059.db2.gz QMEXNJYGQHTEQT-CYBMUJFWSA-N 1 1 251.345 3.333 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+]2CCC(F)(F)[C@@H](F)C2)c1O ZINC001140178659 931957339 /nfs/dbraw/zinc/95/73/39/931957339.db2.gz STQAKHWDPUZTHV-LBPRGKRZSA-N 1 1 273.298 3.188 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCC(F)(F)[C@@H](F)C2)c1O ZINC001140178659 931957343 /nfs/dbraw/zinc/95/73/43/931957343.db2.gz STQAKHWDPUZTHV-LBPRGKRZSA-N 1 1 273.298 3.188 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000164531110 932004181 /nfs/dbraw/zinc/00/41/81/932004181.db2.gz NZUBLPJRDSCGQA-GDBMZVCRSA-N 1 1 275.392 3.010 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c(Cl)c1 ZINC001462176365 937622732 /nfs/dbraw/zinc/62/27/32/937622732.db2.gz IWXQUOJFURXOEF-ZBEGNZNMSA-N 1 1 295.810 3.353 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c(Cl)c1 ZINC001462176365 937622734 /nfs/dbraw/zinc/62/27/34/937622734.db2.gz IWXQUOJFURXOEF-ZBEGNZNMSA-N 1 1 295.810 3.353 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH+]1CC(Cc2ccsc2)C1 ZINC001462459977 937642749 /nfs/dbraw/zinc/64/27/49/937642749.db2.gz QICBZDZLTSYGRS-UHFFFAOYSA-N 1 1 295.354 3.406 20 10 CGCDMO CC1(C)CCC[C@@](O)(C[NH2+]Cc2cccc(F)c2O)CC1 ZINC001462506836 937646168 /nfs/dbraw/zinc/64/61/68/937646168.db2.gz UJVJNTXOMVALSV-KRWDZBQOSA-N 1 1 295.398 3.342 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+]C[C@H]1CCCCS1 ZINC001308636388 933147944 /nfs/dbraw/zinc/14/79/44/933147944.db2.gz AGQGVDWRTBDKNK-SNVBAGLBSA-N 1 1 273.348 3.046 20 10 CGCDMO Cc1ccc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)c(O)c1 ZINC001308643708 933149833 /nfs/dbraw/zinc/14/98/33/933149833.db2.gz ROTOASKBXGSDFI-GOSISDBHSA-N 1 1 297.398 3.144 20 10 CGCDMO Oc1cccc2c1C[N@H+](Cc1cc3ccccc3[nH]1)C2 ZINC001308909842 933202505 /nfs/dbraw/zinc/20/25/05/933202505.db2.gz IXSKLGCCXHJSSC-UHFFFAOYSA-N 1 1 264.328 3.389 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1cc3ccccc3[nH]1)C2 ZINC001308909842 933202508 /nfs/dbraw/zinc/20/25/08/933202508.db2.gz IXSKLGCCXHJSSC-UHFFFAOYSA-N 1 1 264.328 3.389 20 10 CGCDMO Cc1ccc(CC[NH2+]Cc2c(O)cccc2F)cc1 ZINC001308947934 933210559 /nfs/dbraw/zinc/21/05/59/933210559.db2.gz JFBMKNXYJMAREC-UHFFFAOYSA-N 1 1 259.324 3.172 20 10 CGCDMO CC1(C)CCC[C@@H](C[NH2+]Cc2cc(F)c(F)cc2O)O1 ZINC001308969667 933216261 /nfs/dbraw/zinc/21/62/61/933216261.db2.gz VXZOOQRLWCJHGD-NSHDSACASA-N 1 1 285.334 3.108 20 10 CGCDMO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1c(O)cccc1F ZINC001474716332 933704766 /nfs/dbraw/zinc/70/47/66/933704766.db2.gz JXCQLFBNHAIEHQ-GWCFXTLKSA-N 1 1 251.345 3.446 20 10 CGCDMO COc1ccc(N2CCC[N@@H+](CCCC3CC3)CC2)cc1 ZINC001473114848 937793234 /nfs/dbraw/zinc/79/32/34/937793234.db2.gz IGECJFALDYUQBX-UHFFFAOYSA-N 1 1 288.435 3.398 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1C=CCCC1 ZINC001326327561 934971247 /nfs/dbraw/zinc/97/12/47/934971247.db2.gz UZBHJWQYEAMBAI-SNVBAGLBSA-N 1 1 255.720 3.383 20 10 CGCDMO Nc1ccc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)cc1 ZINC001335284630 936136937 /nfs/dbraw/zinc/13/69/37/936136937.db2.gz FVRKWEWGLFNZDG-GJZGRUSLSA-N 1 1 262.422 3.129 20 10 CGCDMO CCC[C@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001473858462 937824942 /nfs/dbraw/zinc/82/49/42/937824942.db2.gz NGUPJJOVABYLTJ-KRWDZBQOSA-N 1 1 288.435 3.288 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC001474368937 937854928 /nfs/dbraw/zinc/85/49/28/937854928.db2.gz CUIGGPPTAIIYCW-UONOGXRCSA-N 1 1 278.465 3.387 20 10 CGCDMO CCCC[N@H+](C)C[C@H](C)NCc1ccc(N(C)C)cc1C ZINC001474557968 937866857 /nfs/dbraw/zinc/86/68/57/937866857.db2.gz VPGSXJNBVBOOIF-INIZCTEOSA-N 1 1 291.483 3.271 20 10 CGCDMO CCCC[N@@H+](C)C[C@H](C)NCc1ccc(N(C)C)cc1C ZINC001474557968 937866858 /nfs/dbraw/zinc/86/68/58/937866858.db2.gz VPGSXJNBVBOOIF-INIZCTEOSA-N 1 1 291.483 3.271 20 10 CGCDMO CCc1cccc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1O ZINC001474669660 937873982 /nfs/dbraw/zinc/87/39/82/937873982.db2.gz KWMJLZICJCYRNJ-GASCZTMLSA-N 1 1 257.377 3.353 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC001560628419 938266811 /nfs/dbraw/zinc/26/68/11/938266811.db2.gz JYNJQNYAQXLLGU-GFCCVEGCSA-N 1 1 291.782 3.148 20 10 CGCDMO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1c(O)cc(C)cc1Cl ZINC001560726957 938272567 /nfs/dbraw/zinc/27/25/67/938272567.db2.gz LPEKQDFNNBOCLO-VXGBXAGGSA-N 1 1 283.799 3.353 20 10 CGCDMO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1c(O)cc(C)cc1Cl ZINC001560726957 938272568 /nfs/dbraw/zinc/27/25/68/938272568.db2.gz LPEKQDFNNBOCLO-VXGBXAGGSA-N 1 1 283.799 3.353 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+]C1CC2(CCC2)C1 ZINC001560912405 938283553 /nfs/dbraw/zinc/28/35/53/938283553.db2.gz GBPIPFMEPMNSDN-UHFFFAOYSA-N 1 1 253.292 3.093 20 10 CGCDMO CCc1cccc(C[N@H+]2CCOC[C@H]2CC(C)C)c1O ZINC001308630185 958798166 /nfs/dbraw/zinc/79/81/66/958798166.db2.gz ZRMSJUVUGNXGBY-MRXNPFEDSA-N 1 1 277.408 3.202 20 10 CGCDMO C[C@@]1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCC[NH2+]C1 ZINC001576526670 962470487 /nfs/dbraw/zinc/47/04/87/962470487.db2.gz WUCXRWAJRWGOSF-GOSISDBHSA-N 1 1 284.403 3.025 20 10 CGCDMO C[C@H](O)CC[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000093481361 345879539 /nfs/dbraw/zinc/87/95/39/345879539.db2.gz XUBCBJXFDJEULC-AWEZNQCLSA-N 1 1 285.387 3.262 20 10 CGCDMO CC[C@@H](CSC)[N@@H+](C)Cc1cccc(C)c1O ZINC000290310371 522602062 /nfs/dbraw/zinc/60/20/62/522602062.db2.gz CDCWSMDWPONGOS-ZDUSSCGKSA-N 1 1 253.411 3.274 20 10 CGCDMO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)n[nH]1 ZINC000090531845 370062319 /nfs/dbraw/zinc/06/23/19/370062319.db2.gz WEYULYPSJRMYDL-GXTWGEPZSA-N 1 1 286.423 3.066 20 10 CGCDMO COC(=O)c1ccc(C[N@@H+](C)Cc2cc(C)ccc2O)cc1 ZINC000091829918 370077042 /nfs/dbraw/zinc/07/70/42/370077042.db2.gz XYTMWUKTWNOLMH-UHFFFAOYSA-N 1 1 299.370 3.119 20 10 CGCDMO Cc1csc(C(C)(C)[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000116381989 370559413 /nfs/dbraw/zinc/55/94/13/370559413.db2.gz BDTIVUIGYHBDLL-UHFFFAOYSA-N 1 1 288.416 3.411 20 10 CGCDMO Cc1cccc(C[N@H+]2CCc3sccc3C2)c1O ZINC000138547729 371505002 /nfs/dbraw/zinc/50/50/02/371505002.db2.gz LQKVSAZRTFKJBF-UHFFFAOYSA-N 1 1 259.374 3.320 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000160244929 372229681 /nfs/dbraw/zinc/22/96/81/372229681.db2.gz NKDAUMLFLSWREC-JTQLQIEISA-N 1 1 277.261 3.306 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000160244929 372229684 /nfs/dbraw/zinc/22/96/84/372229684.db2.gz NKDAUMLFLSWREC-JTQLQIEISA-N 1 1 277.261 3.306 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCCSC1 ZINC000293765389 372475592 /nfs/dbraw/zinc/47/55/92/372475592.db2.gz ZMBSJTMPCXJYBR-SECBINFHSA-N 1 1 275.776 3.170 20 10 CGCDMO CCc1noc(C)c1C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000293636811 372431209 /nfs/dbraw/zinc/43/12/09/372431209.db2.gz GVGSKCRPTRDPOJ-SECBINFHSA-N 1 1 278.327 3.241 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cccc(C)c2O)CCS1 ZINC000180312437 373989149 /nfs/dbraw/zinc/98/91/49/373989149.db2.gz FSHYKDOLNTUWKS-ZDUSSCGKSA-N 1 1 251.395 3.028 20 10 CGCDMO C[C@H]([NH2+]CCc1ccccc1O)c1ccc(F)cc1O ZINC000185302872 374632700 /nfs/dbraw/zinc/63/27/00/374632700.db2.gz FOKJFNAEPOZIRP-NSHDSACASA-N 1 1 275.323 3.130 20 10 CGCDMO CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2[O-])C1 ZINC000185358061 374646967 /nfs/dbraw/zinc/64/69/67/374646967.db2.gz AOGBEMOYYXGCTA-UONOGXRCSA-N 1 1 294.414 3.302 20 10 CGCDMO CCN(CCCn1cc[nH+]c1C)c1ccc(OC)cc1 ZINC000270636805 378379685 /nfs/dbraw/zinc/37/96/85/378379685.db2.gz MMIVUPCOKCBGQM-UHFFFAOYSA-N 1 1 273.380 3.117 20 10 CGCDMO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Cl)ccc1O ZINC000273394045 378744311 /nfs/dbraw/zinc/74/43/11/378744311.db2.gz LOBQPZHYMOICDF-TUKIKUTGSA-N 1 1 294.826 3.323 20 10 CGCDMO C[C@H](N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc(Cl)ccc1O ZINC000273394045 378744315 /nfs/dbraw/zinc/74/43/15/378744315.db2.gz LOBQPZHYMOICDF-TUKIKUTGSA-N 1 1 294.826 3.323 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)[C@H]1CCCCO1 ZINC000273469409 378748977 /nfs/dbraw/zinc/74/89/77/378748977.db2.gz JJCNVGVABFCDCI-FIXISWKDSA-N 1 1 267.344 3.140 20 10 CGCDMO C[N@@H+](CCn1ccnc1)Cc1ccc(N2CCCCC2)cc1 ZINC000272800863 378706907 /nfs/dbraw/zinc/70/69/07/378706907.db2.gz ZNTJMQJZHVQZFZ-UHFFFAOYSA-N 1 1 298.434 3.005 20 10 CGCDMO CCCC[N@H+](Cc1nnc(CC)o1)Cc1ccccc1O ZINC000282488673 379930787 /nfs/dbraw/zinc/93/07/87/379930787.db2.gz PORYMYJPZMHXHO-UHFFFAOYSA-N 1 1 289.379 3.140 20 10 CGCDMO CCCC[N@@H+](Cc1nnc(CC)o1)Cc1ccccc1O ZINC000282488673 379930795 /nfs/dbraw/zinc/93/07/95/379930795.db2.gz PORYMYJPZMHXHO-UHFFFAOYSA-N 1 1 289.379 3.140 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1C ZINC000283759745 380087011 /nfs/dbraw/zinc/08/70/11/380087011.db2.gz AVRNEUMAMIXGNE-WBVHZDCISA-N 1 1 275.392 3.152 20 10 CGCDMO C[N@@H+](CCSC(C)(C)C)Cc1ccccc1O ZINC000284373396 380139221 /nfs/dbraw/zinc/13/92/21/380139221.db2.gz LLXUDTBGGSKBEX-UHFFFAOYSA-N 1 1 253.411 3.356 20 10 CGCDMO CC[C@H]([NH2+]C[C@H](OC)C(C)C)c1ccc(F)cc1O ZINC000286153162 380167616 /nfs/dbraw/zinc/16/76/16/380167616.db2.gz PNFWABLJFXZUDB-ZFWWWQNUSA-N 1 1 269.360 3.243 20 10 CGCDMO CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2ccc(F)cc2[O-])C1 ZINC000286319108 380195523 /nfs/dbraw/zinc/19/55/23/380195523.db2.gz XNGVNUHWYSTCAO-CZUORRHYSA-N 1 1 294.414 3.304 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C)o1)c1ccc(F)cc1O ZINC000285530898 380150688 /nfs/dbraw/zinc/15/06/88/380150688.db2.gz BPVOGZQMMLAYFR-UKRRQHHQSA-N 1 1 293.338 3.207 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1ccc(C)cc1O ZINC000366442030 382308699 /nfs/dbraw/zinc/30/86/99/382308699.db2.gz DVCLXTVWIVYVKX-ZFWWWQNUSA-N 1 1 285.391 3.022 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(C)cc1O ZINC000368101817 382364583 /nfs/dbraw/zinc/36/45/83/382364583.db2.gz LQOPYDXADKEGER-OCCSQVGLSA-N 1 1 285.391 3.022 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCCC[C@H](COC)C2)c1 ZINC000368666024 382380375 /nfs/dbraw/zinc/38/03/75/382380375.db2.gz JNAPNYAZAHITLL-AWEZNQCLSA-N 1 1 293.407 3.039 20 10 CGCDMO CCOc1cccc(C[N@@H+](CCCO)CC(C)(C)C)c1O ZINC000093146127 392236142 /nfs/dbraw/zinc/23/61/42/392236142.db2.gz PGEFGXSOZBYFOW-UHFFFAOYSA-N 1 1 295.423 3.021 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000093443458 392237885 /nfs/dbraw/zinc/23/78/85/392237885.db2.gz GPXFRYOXSXHLMZ-BETUJISGSA-N 1 1 261.365 3.023 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC3(CCC3)C2)c1 ZINC000093455976 392237919 /nfs/dbraw/zinc/23/79/19/392237919.db2.gz FPSOFGQGOBQRGE-UHFFFAOYSA-N 1 1 261.365 3.167 20 10 CGCDMO CSC[C@@H]1CCC[N@H+]1Cc1cc(C)ccc1O ZINC000093761431 392239602 /nfs/dbraw/zinc/23/96/02/392239602.db2.gz YFAPUWGWJSITBO-ZDUSSCGKSA-N 1 1 251.395 3.028 20 10 CGCDMO C[N@@H+](CCCCC1CCOCC1)Cc1ccccc1O ZINC000281950697 392261721 /nfs/dbraw/zinc/26/17/21/392261721.db2.gz JOBZYKKNCXHQKN-UHFFFAOYSA-N 1 1 277.408 3.421 20 10 CGCDMO CC[C@@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1ccc(N(C)C)cc1 ZINC000374469354 392679693 /nfs/dbraw/zinc/67/96/93/392679693.db2.gz QBLAWPILYOAXHH-NVXWUHKLSA-N 1 1 298.434 3.074 20 10 CGCDMO CC[C@@H](CSC)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000168862504 261423157 /nfs/dbraw/zinc/42/31/57/261423157.db2.gz BYDBDKGRPORQTP-ONGXEEELSA-N 1 1 257.374 3.324 20 10 CGCDMO CCc1noc(CC)c1C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185678494 262065936 /nfs/dbraw/zinc/06/59/36/262065936.db2.gz ZPVPZTWXAKJAJU-SNVBAGLBSA-N 1 1 292.354 3.495 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCCC3(CC3)C2)c1 ZINC000186624924 262102753 /nfs/dbraw/zinc/10/27/53/262102753.db2.gz UGMKQYHPPMKRDC-UHFFFAOYSA-N 1 1 261.365 3.167 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000367689428 267109976 /nfs/dbraw/zinc/10/99/76/267109976.db2.gz VLLOSPLZSNRBAJ-CABCVRRESA-N 1 1 275.392 3.031 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)[C@H](C)C1 ZINC000282441350 274064291 /nfs/dbraw/zinc/06/42/91/274064291.db2.gz UMAVDZZJHBWIAP-BXUZGUMPSA-N 1 1 283.799 3.353 20 10 CGCDMO COc1ccc(N2CCCN(c3cccc(C)[nH+]3)CC2)cc1 ZINC000157181876 277908929 /nfs/dbraw/zinc/90/89/29/277908929.db2.gz VESKNOCIBJAMJS-UHFFFAOYSA-N 1 1 297.402 3.115 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCCSC1)c1ccc(F)cc1O ZINC000168815149 329059617 /nfs/dbraw/zinc/05/96/17/329059617.db2.gz VMELXQSZPSXNJP-ONGXEEELSA-N 1 1 255.358 3.078 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000378492134 329052531 /nfs/dbraw/zinc/05/25/31/329052531.db2.gz GHUSVVPWZYDVNF-LLVKDONJSA-N 1 1 261.296 3.114 20 10 CGCDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccccc2O)C1 ZINC000185230322 329269254 /nfs/dbraw/zinc/26/92/54/329269254.db2.gz ASYWHVBXOWNPBB-CJNGLKHVSA-N 1 1 268.360 3.370 20 10 CGCDMO CCc1cnc(C[NH2+]Cc2ccc(N(C)C)cc2)s1 ZINC000230706722 333321301 /nfs/dbraw/zinc/32/13/01/333321301.db2.gz DZJKTEIKPQWUFU-UHFFFAOYSA-N 1 1 275.421 3.061 20 10 CGCDMO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000529667835 333504922 /nfs/dbraw/zinc/50/49/22/333504922.db2.gz ABWKBRYYQHGIJG-PJPCKVBYSA-N 1 1 287.762 3.086 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCSC2)c1O ZINC000050133446 518279126 /nfs/dbraw/zinc/27/91/26/518279126.db2.gz UTUVWFVLOUFVRU-GFCCVEGCSA-N 1 1 299.823 3.186 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H]2CCSC2)c1O ZINC000050133446 518279129 /nfs/dbraw/zinc/27/91/29/518279129.db2.gz UTUVWFVLOUFVRU-GFCCVEGCSA-N 1 1 299.823 3.186 20 10 CGCDMO CN(C)c1ccc(CNC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000037786419 522206467 /nfs/dbraw/zinc/20/64/67/522206467.db2.gz JHZUDULYOFPNLU-UHFFFAOYSA-N 1 1 289.467 3.105 20 10 CGCDMO COC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(C)o1 ZINC000080238036 522751237 /nfs/dbraw/zinc/75/12/37/522751237.db2.gz SNCQKTOXYFCOKT-INIZCTEOSA-N 1 1 288.391 3.131 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)cc1OC ZINC000291519991 522771625 /nfs/dbraw/zinc/77/16/25/522771625.db2.gz JAZMSTUHHXOXDV-INIZCTEOSA-N 1 1 291.391 3.030 20 10 CGCDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)C1CCC(F)(F)CC1 ZINC000290229711 523185008 /nfs/dbraw/zinc/18/50/08/523185008.db2.gz STPSEDXYUYSDEA-UHFFFAOYSA-N 1 1 299.317 3.131 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)C1CCC(F)(F)CC1 ZINC000289375846 523385378 /nfs/dbraw/zinc/38/53/78/523385378.db2.gz BJTJNVCGKMSFFA-UHFFFAOYSA-N 1 1 255.308 3.402 20 10 CGCDMO C[C@H](C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)N(C)C ZINC000278890099 524494713 /nfs/dbraw/zinc/49/47/13/524494713.db2.gz YNUAZTZYCJHXFL-BDAKNGLRSA-N 1 1 291.222 3.300 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+](C)CCCn2ccnc2)c1O ZINC000290643834 524861813 /nfs/dbraw/zinc/86/18/13/524861813.db2.gz YSBNTOSYYBDMPQ-UHFFFAOYSA-N 1 1 293.798 3.073 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@]2(C)CCCO)c1O ZINC000290326899 524864383 /nfs/dbraw/zinc/86/43/83/524864383.db2.gz DKOMYIBNSUFMEC-MRXNPFEDSA-N 1 1 297.826 3.481 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1 ZINC000292677953 525345984 /nfs/dbraw/zinc/34/59/84/525345984.db2.gz AKYWCMFFYFYCAD-UONOGXRCSA-N 1 1 267.319 3.178 20 10 CGCDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000740857864 571885686 /nfs/dbraw/zinc/88/56/86/571885686.db2.gz BAKBAWYDGXENMS-NEPJUHHUSA-N 1 1 256.349 3.171 20 10 CGCDMO Cn1ccnc1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000732204188 572451479 /nfs/dbraw/zinc/45/14/79/572451479.db2.gz FMKZCBYIPURTOO-UHFFFAOYSA-N 1 1 285.391 3.071 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC(F)(F)CC2)cc1 ZINC000859537905 617720009 /nfs/dbraw/zinc/72/00/09/617720009.db2.gz RYKHEUSKVIZTDV-UHFFFAOYSA-N 1 1 268.351 3.374 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@H]2CSC)c(O)cc1C ZINC000160450110 618046403 /nfs/dbraw/zinc/04/64/03/618046403.db2.gz QLIQQBRBYZDYBF-ZDUSSCGKSA-N 1 1 281.421 3.037 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@@H]2C(C)C)c(O)c1OC ZINC000891617745 618242206 /nfs/dbraw/zinc/24/22/06/618242206.db2.gz IFJSCFASEMAFQC-CYBMUJFWSA-N 1 1 279.380 3.030 20 10 CGCDMO COc1ccc(C[N@H+]2CCCC(C)(C)C2)c(O)c1OC ZINC000891722009 618259038 /nfs/dbraw/zinc/25/90/38/618259038.db2.gz MSOYJDSIIMMOME-UHFFFAOYSA-N 1 1 279.380 3.031 20 10 CGCDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000184984799 625287207 /nfs/dbraw/zinc/28/72/07/625287207.db2.gz AJPGVFLRTNNSHX-TZMCWYRMSA-N 1 1 263.381 3.330 20 10 CGCDMO C[C@H]([NH2+]C[C@H](C)N1CCC[C@@H](C)C1)c1ccc(F)cc1O ZINC000185023942 625290722 /nfs/dbraw/zinc/29/07/22/625290722.db2.gz PFVBSZQSNRYSFM-RDBSUJKOSA-N 1 1 294.414 3.302 20 10 CGCDMO Cc1cccc(C[NH+]2CCN(Cc3ccccc3O)CC2)c1 ZINC000179553560 618795526 /nfs/dbraw/zinc/79/55/26/618795526.db2.gz WJOXPVWUDKKEAI-UHFFFAOYSA-N 1 1 296.414 3.018 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H](C)C2(C)CC2)c1O ZINC000177232542 618809846 /nfs/dbraw/zinc/80/98/46/618809846.db2.gz ZKLSECHKMBWLLN-NSHDSACASA-N 1 1 279.355 3.354 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H](C)C2(C)CC2)c1O ZINC000177232542 618809849 /nfs/dbraw/zinc/80/98/49/618809849.db2.gz ZKLSECHKMBWLLN-NSHDSACASA-N 1 1 279.355 3.354 20 10 CGCDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cc(F)ccc1O ZINC000180137985 619013431 /nfs/dbraw/zinc/01/34/31/619013431.db2.gz KNJPULXGOJRNAY-LBPRGKRZSA-N 1 1 289.350 3.300 20 10 CGCDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccccc1O ZINC000182033448 619031464 /nfs/dbraw/zinc/03/14/64/619031464.db2.gz ZGTVQDLLUYLIIJ-QGZVFWFLSA-N 1 1 285.387 3.082 20 10 CGCDMO CCC(=O)CC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000190294475 619098685 /nfs/dbraw/zinc/09/86/85/619098685.db2.gz QWEQLCGQUBLJDN-UHFFFAOYSA-N 1 1 287.359 3.357 20 10 CGCDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000093383629 619191372 /nfs/dbraw/zinc/19/13/72/619191372.db2.gz BFOZMZKCTXYFQC-BZPMIXESSA-N 1 1 289.375 3.274 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccc(F)cc1O ZINC000185224302 619222587 /nfs/dbraw/zinc/22/25/87/619222587.db2.gz PNGDCULDDRWKPI-RISCZKNCSA-N 1 1 287.334 3.186 20 10 CGCDMO Cc1cc(N(C)C)ccc1CNCC[N@H+](C)C1CCCC1 ZINC000840932745 619225761 /nfs/dbraw/zinc/22/57/61/619225761.db2.gz TVTYVBVOSOHTGV-UHFFFAOYSA-N 1 1 289.467 3.025 20 10 CGCDMO Cc1cc(N(C)C)ccc1CNCC[N@@H+](C)C1CCCC1 ZINC000840932745 619225763 /nfs/dbraw/zinc/22/57/63/619225763.db2.gz TVTYVBVOSOHTGV-UHFFFAOYSA-N 1 1 289.467 3.025 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCCSCC2)c(Cl)c1 ZINC000840936486 619227445 /nfs/dbraw/zinc/22/74/45/619227445.db2.gz JYKYNPXIRITGKJ-UHFFFAOYSA-N 1 1 271.813 3.293 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCSC[C@H]2C2CC2)c1O ZINC000894904175 619678965 /nfs/dbraw/zinc/67/89/65/619678965.db2.gz FSAYLFRBWZMGTJ-AWEZNQCLSA-N 1 1 293.432 3.037 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000895073438 619712828 /nfs/dbraw/zinc/71/28/28/619712828.db2.gz HMMZKKYRAKHYPK-IAQYHMDHSA-N 1 1 297.345 3.061 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000895073438 619712830 /nfs/dbraw/zinc/71/28/30/619712830.db2.gz HMMZKKYRAKHYPK-IAQYHMDHSA-N 1 1 297.345 3.061 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCCC(F)(F)CC2)c1O ZINC000895391923 619820028 /nfs/dbraw/zinc/82/00/28/619820028.db2.gz HSEDIHPLDOUNNC-UHFFFAOYSA-N 1 1 285.334 3.330 20 10 CGCDMO Cc1cc(C[NH2+]Cc2c[nH]cn2)c(C)n1-c1cccc(C)c1 ZINC000895406155 619822147 /nfs/dbraw/zinc/82/21/47/619822147.db2.gz QSCTWORSYOZYRH-UHFFFAOYSA-N 1 1 294.402 3.415 20 10 CGCDMO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000895926459 619909244 /nfs/dbraw/zinc/90/92/44/619909244.db2.gz FSEJDYQEIXGWCG-UKRRQHHQSA-N 1 1 263.381 3.008 20 10 CGCDMO CC(C)C[N@@H+](Cc1ccccn1)Cc1ccccc1O ZINC000896666474 620044172 /nfs/dbraw/zinc/04/41/72/620044172.db2.gz WTGCMZFSAKLVKG-UHFFFAOYSA-N 1 1 270.376 3.445 20 10 CGCDMO CCCCC1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000897936517 620452080 /nfs/dbraw/zinc/45/20/80/620452080.db2.gz XFRKRCRXRHQHJM-UHFFFAOYSA-N 1 1 294.351 3.121 20 10 CGCDMO C[C@H](Cc1cccnc1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000897967293 620458692 /nfs/dbraw/zinc/45/86/92/620458692.db2.gz MRAZDSWQTYQSML-SNVBAGLBSA-N 1 1 294.757 3.301 20 10 CGCDMO C[N@@H+](Cc1scnc1C1CC1)Cc1ccccc1O ZINC000787110734 620506794 /nfs/dbraw/zinc/50/67/94/620506794.db2.gz JBOVDCLIWXTPRF-UHFFFAOYSA-N 1 1 274.389 3.358 20 10 CGCDMO Cc1cc(C)cc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000841043395 620540640 /nfs/dbraw/zinc/54/06/40/620540640.db2.gz OFONQJCCIKYOGD-LJQANCHMSA-N 1 1 297.446 3.159 20 10 CGCDMO C[C@@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(N(C)C)cc1 ZINC000902441158 621320815 /nfs/dbraw/zinc/32/08/15/621320815.db2.gz CIIVKCGYURNLMF-UPRAQXHNSA-N 1 1 295.430 3.028 20 10 CGCDMO CC[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1cccc(Cl)c1[O-] ZINC000902447287 621328646 /nfs/dbraw/zinc/32/86/46/621328646.db2.gz YGBPEEAHZGPSHV-STQMWFEESA-N 1 1 282.815 3.084 20 10 CGCDMO C[C@H]([NH2+]CC1(C2(O)CCC2)CC1)c1ccc(Cl)cc1O ZINC000903257606 621645284 /nfs/dbraw/zinc/64/52/84/621645284.db2.gz IHKXUWMAXNDQHD-NSHDSACASA-N 1 1 295.810 3.391 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@H]32)c1 ZINC000903317328 621688545 /nfs/dbraw/zinc/68/85/45/621688545.db2.gz MMSKWVWBMUYUGY-FMVNMVDZSA-N 1 1 289.375 3.018 20 10 CGCDMO C[C@@H]([NH2+][C@H](c1ncccn1)C1CC1)c1ccc(N(C)C)cc1 ZINC000903334336 621690299 /nfs/dbraw/zinc/69/02/99/621690299.db2.gz XSHOJDUHKRPUTQ-DYVFJYSZSA-N 1 1 296.418 3.345 20 10 CGCDMO C[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1cccc(C(F)(F)F)c1O ZINC000903393147 621718136 /nfs/dbraw/zinc/71/81/36/621718136.db2.gz HTDWLGGGCKKLSI-HOTUBEGUSA-N 1 1 289.297 3.097 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959407 621836615 /nfs/dbraw/zinc/83/66/15/621836615.db2.gz HPWUZGHRGIPIPC-MRXNPFEDSA-N 1 1 294.826 3.011 20 10 CGCDMO Cc1noc(C)c1C[N@H+](C)Cc1cc(C)cc(C)c1O ZINC000163994819 622811094 /nfs/dbraw/zinc/81/10/94/622811094.db2.gz CXUFUQMHDGYQKB-UHFFFAOYSA-N 1 1 274.364 3.246 20 10 CGCDMO C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C1CCC1 ZINC000172963607 623301510 /nfs/dbraw/zinc/30/15/10/623301510.db2.gz BZJNPDSYXHEFDC-UHFFFAOYSA-N 1 1 263.381 3.380 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1Cl ZINC000827506321 623465596 /nfs/dbraw/zinc/46/55/96/623465596.db2.gz GPQPMNIUZONUGW-GHMZBOCLSA-N 1 1 251.757 3.196 20 10 CGCDMO Cc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)nc1C ZINC000314192146 623661322 /nfs/dbraw/zinc/66/13/22/623661322.db2.gz PYQWKYILENQLGJ-LBPRGKRZSA-N 1 1 274.339 3.394 20 10 CGCDMO CCC[N@H+](Cc1cc(C)cc(OC)c1O)CC1CC1 ZINC000915794909 624029968 /nfs/dbraw/zinc/02/99/68/624029968.db2.gz XFWFNBJORUFELS-UHFFFAOYSA-N 1 1 263.381 3.331 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)Cc2ccc(C)o2)c1O ZINC000915818639 624036186 /nfs/dbraw/zinc/03/61/86/624036186.db2.gz ZFLSRIMGVFKRMG-UHFFFAOYSA-N 1 1 275.348 3.243 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)[C@@H]2C[C@@](C)(OC)C2(C)C)c1 ZINC000180672683 624766719 /nfs/dbraw/zinc/76/67/19/624766719.db2.gz LFAKTAUXUDXLKU-NVXWUHKLSA-N 1 1 293.407 3.036 20 10 CGCDMO CC[N@@H+](Cc1cc(Br)ccc1O)C(C)C ZINC000076118496 625052824 /nfs/dbraw/zinc/05/28/24/625052824.db2.gz VHDCLKFZXMSPCJ-UHFFFAOYSA-N 1 1 272.186 3.385 20 10 CGCDMO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H](C)c1ccccc1O ZINC000183444607 625075747 /nfs/dbraw/zinc/07/57/47/625075747.db2.gz CQOAXTQGBOKSMG-QXSJWSMHSA-N 1 1 290.451 3.409 20 10 CGCDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H](C)c1ccccc1O ZINC000183444607 625075751 /nfs/dbraw/zinc/07/57/51/625075751.db2.gz CQOAXTQGBOKSMG-QXSJWSMHSA-N 1 1 290.451 3.409 20 10 CGCDMO CC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184702479 625263313 /nfs/dbraw/zinc/26/33/13/625263313.db2.gz IKLHOXSOIYXXDY-SNVBAGLBSA-N 1 1 269.772 3.286 20 10 CGCDMO Cc1cc(C#N)ccc1C[N@H+](C)Cc1ccccc1O ZINC000186291516 625781261 /nfs/dbraw/zinc/78/12/61/625781261.db2.gz BTKPMSPOFFWADN-UHFFFAOYSA-N 1 1 266.344 3.204 20 10 CGCDMO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CN(C)C)c2c1c(F)ccc2O ZINC000756340707 625875488 /nfs/dbraw/zinc/87/54/88/625875488.db2.gz JRCBRHDEXNVJHM-DGCLKSJQSA-N 1 1 294.414 3.257 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)C(C2CC2)C2CC2)c1O ZINC000164244680 626085670 /nfs/dbraw/zinc/08/56/70/626085670.db2.gz XNXUEKICSIINSW-UHFFFAOYSA-N 1 1 275.392 3.330 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CC(C)(C)C1 ZINC000839180481 626326167 /nfs/dbraw/zinc/32/61/67/626326167.db2.gz DHIWXTHABHMPGI-UHFFFAOYSA-N 1 1 288.435 3.144 20 10 CGCDMO C[C@@H]1C[C@H]1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000754099170 626475657 /nfs/dbraw/zinc/47/56/57/626475657.db2.gz BTTIVVDXDSOQJX-KBMXLJTQSA-N 1 1 275.392 3.029 20 10 CGCDMO CCCC[N@@H+](Cc1cc(C)cc(OC)c1O)C1CC1 ZINC000754726005 626585128 /nfs/dbraw/zinc/58/51/28/626585128.db2.gz KLJKBSRSTWFAKE-UHFFFAOYSA-N 1 1 263.381 3.474 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2ccccc2)c1 ZINC000756354610 626695271 /nfs/dbraw/zinc/69/52/71/626695271.db2.gz GHLSCUZJMILUMN-ZDUSSCGKSA-N 1 1 299.370 3.072 20 10 CGCDMO C[C@H](CCN(C)C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756505634 626710395 /nfs/dbraw/zinc/71/03/95/626710395.db2.gz UHVFTNMRLZBGRB-NQBHXWOUSA-N 1 1 280.387 3.009 20 10 CGCDMO CC[N@H+](CCN[C@@H]1C[C@H](C)c2c1c(O)ccc2F)C(C)C ZINC000756527554 626712422 /nfs/dbraw/zinc/71/24/22/626712422.db2.gz ZVXLZVVTWBKQTC-GXTWGEPZSA-N 1 1 294.414 3.400 20 10 CGCDMO CC[N@@H+](CCN[C@@H]1C[C@H](C)c2c1c(O)ccc2F)C(C)C ZINC000756527554 626712424 /nfs/dbraw/zinc/71/24/24/626712424.db2.gz ZVXLZVVTWBKQTC-GXTWGEPZSA-N 1 1 294.414 3.400 20 10 CGCDMO C[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1cc(F)cc(F)c1O ZINC000756595914 626719328 /nfs/dbraw/zinc/71/93/28/626719328.db2.gz ZYFDTRIAPSBGAB-OQPBUACISA-N 1 1 299.342 3.116 20 10 CGCDMO C[C@H](Cc1ccncc1)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000756637018 626722881 /nfs/dbraw/zinc/72/28/81/626722881.db2.gz YTOSZGXEBDRJNJ-VXGBXAGGSA-N 1 1 274.339 3.208 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCCC2(C)C)c1 ZINC000756642654 626724036 /nfs/dbraw/zinc/72/40/36/626724036.db2.gz PNZJVNKMVHTAQP-NHYWBVRUSA-N 1 1 291.391 3.408 20 10 CGCDMO C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1cc(F)cc(F)c1O ZINC000756656097 626724585 /nfs/dbraw/zinc/72/45/85/626724585.db2.gz TZAGUWSYFFEYMZ-BONVTDFDSA-N 1 1 293.313 3.055 20 10 CGCDMO CCC1(O)CCC([NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000756675909 626726769 /nfs/dbraw/zinc/72/67/69/626726769.db2.gz HXSXNGUHHYIVFK-FFKNIBCLSA-N 1 1 281.371 3.266 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+](C)Cc2ccccn2)c1O ZINC000761215104 627026289 /nfs/dbraw/zinc/02/62/89/627026289.db2.gz IMPOHVSZTWIKJA-UHFFFAOYSA-N 1 1 292.766 3.081 20 10 CGCDMO CC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)CC(C)C ZINC000768336339 627474275 /nfs/dbraw/zinc/47/42/75/627474275.db2.gz RUMIUNOGZSBRBA-UHFFFAOYSA-N 1 1 294.414 3.140 20 10 CGCDMO C[N@H+](Cc1cc2c(cc1O)CCCC2)C[C@H]1CCCCO1 ZINC000768441002 627480642 /nfs/dbraw/zinc/48/06/42/627480642.db2.gz CHSFREFHDNKXEO-QGZVFWFLSA-N 1 1 289.419 3.272 20 10 CGCDMO CCC1(CC)C[N@@H+](Cc2ccccc2O)CCS1 ZINC000768528267 627483747 /nfs/dbraw/zinc/48/37/47/627483747.db2.gz IFRNOEKCLFXJQN-UHFFFAOYSA-N 1 1 265.422 3.500 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCCC[C@@H](COC)C2)c(O)c1 ZINC000768541877 627485279 /nfs/dbraw/zinc/48/52/79/627485279.db2.gz SUOFGXSOXUMLRT-CQSZACIVSA-N 1 1 293.407 3.039 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000769103309 627522667 /nfs/dbraw/zinc/52/26/67/627522667.db2.gz VOFGYHDYWVFIND-JSGCOSHPSA-N 1 1 261.365 3.165 20 10 CGCDMO CC(C)(C)[N@H+]1CCCN(Cc2cc(Cl)ccc2O)CC1 ZINC000769188887 627530309 /nfs/dbraw/zinc/53/03/09/627530309.db2.gz QQFBSZIWJGVPKL-UHFFFAOYSA-N 1 1 296.842 3.352 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)c(O)c1 ZINC000769224878 627531464 /nfs/dbraw/zinc/53/14/64/627531464.db2.gz ZWWDMWJITGJAEW-OLZOCXBDSA-N 1 1 263.381 3.411 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2C)c(O)c1 ZINC000769224877 627531791 /nfs/dbraw/zinc/53/17/91/627531791.db2.gz ZWWDMWJITGJAEW-CHWSQXEVSA-N 1 1 263.381 3.411 20 10 CGCDMO CCC[N@H+](Cc1c(O)cccc1OC)C[C@H]1CCCCO1 ZINC000769337073 627543867 /nfs/dbraw/zinc/54/38/67/627543867.db2.gz CLWWIBAFMHLTEK-CQSZACIVSA-N 1 1 293.407 3.182 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCc2ccc(F)cc2C1 ZINC000769403422 627549502 /nfs/dbraw/zinc/54/95/02/627549502.db2.gz CKKVIBWVWIQEEI-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)c(F)c1)C1CCC1 ZINC000769466070 627556219 /nfs/dbraw/zinc/55/62/19/627556219.db2.gz HPNWLHVVGWBVOL-UHFFFAOYSA-N 1 1 250.361 3.266 20 10 CGCDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(C)ccc2O)C1(C)C ZINC000769476244 627558539 /nfs/dbraw/zinc/55/85/39/627558539.db2.gz XMIAOWROEAZODB-HOTGVXAUSA-N 1 1 277.408 3.336 20 10 CGCDMO C[N@@H+](Cc1ccc[nH]1)Cc1cc(Br)ccc1O ZINC000769543305 627564473 /nfs/dbraw/zinc/56/44/73/627564473.db2.gz MQFMWFZYVWNQCG-UHFFFAOYSA-N 1 1 295.180 3.115 20 10 CGCDMO C[N@@H+](CCc1cnccn1)Cc1c(O)ccc2ccccc21 ZINC000770663575 627635253 /nfs/dbraw/zinc/63/52/53/627635253.db2.gz QAAWODCLYSIBEV-UHFFFAOYSA-N 1 1 293.370 3.010 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCCOC[C@H]2C)cc1C(C)C ZINC000772820512 627826500 /nfs/dbraw/zinc/82/65/00/627826500.db2.gz IHVMHHSDBNDONB-CQSZACIVSA-N 1 1 277.408 3.435 20 10 CGCDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(N(C)CC)cc1 ZINC000773755625 627911273 /nfs/dbraw/zinc/91/12/73/627911273.db2.gz UNIVEJYIWXFNHI-QZTJIDSGSA-N 1 1 290.451 3.268 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)CCc2ccccn2)cc1 ZINC000773803729 627916649 /nfs/dbraw/zinc/91/66/49/627916649.db2.gz BRXMOTYVALSTHS-UHFFFAOYSA-N 1 1 283.419 3.212 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)cc1 ZINC000773832088 627918020 /nfs/dbraw/zinc/91/80/20/627918020.db2.gz MSNIZZFWFNDESO-SJLPKXTDSA-N 1 1 290.451 3.126 20 10 CGCDMO C[C@@H]([NH2+]CC1(O)CCC1)c1cc(Cl)c(Cl)cc1O ZINC000774182729 627957722 /nfs/dbraw/zinc/95/77/22/627957722.db2.gz UHJMHWSWYULURG-MRVPVSSYSA-N 1 1 290.190 3.265 20 10 CGCDMO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775030155 628054816 /nfs/dbraw/zinc/05/48/16/628054816.db2.gz QYYXYYNYCWEVQI-GHMZBOCLSA-N 1 1 296.367 3.223 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)Cc2ccccc2C)c1 ZINC000775642281 628118445 /nfs/dbraw/zinc/11/84/45/628118445.db2.gz JHOOCSFBWLPPMM-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO Cc1cccc(C[NH+]2CCN(CCC(C)(C)C)CC2)c1O ZINC000775659191 628121182 /nfs/dbraw/zinc/12/11/82/628121182.db2.gz FMYICVHLPMDRHJ-UHFFFAOYSA-N 1 1 290.451 3.254 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]3COCC[C@H]32)c1O ZINC000775736151 628131273 /nfs/dbraw/zinc/13/12/73/628131273.db2.gz NXZJARDYAFIDCS-SWLSCSKDSA-N 1 1 295.810 3.355 20 10 CGCDMO C[C@H](NCC[C@H]1CCCC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000775830216 628140486 /nfs/dbraw/zinc/14/04/86/628140486.db2.gz FGLKBKSHYXOOOA-MAUKXSAKSA-N 1 1 289.467 3.278 20 10 CGCDMO C[C@H](NCC[C@H]1CCCC[N@H+]1C)c1ccc(N(C)C)cc1 ZINC000775830216 628140488 /nfs/dbraw/zinc/14/04/88/628140488.db2.gz FGLKBKSHYXOOOA-MAUKXSAKSA-N 1 1 289.467 3.278 20 10 CGCDMO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(N(C)C)cc1 ZINC000775830216 628140492 /nfs/dbraw/zinc/14/04/92/628140492.db2.gz FGLKBKSHYXOOOA-MAUKXSAKSA-N 1 1 289.467 3.278 20 10 CGCDMO Cc1cc(C(=O)Cn2cc[nH+]c2C)c(C)n1-c1ccccc1 ZINC000776858579 628236637 /nfs/dbraw/zinc/23/66/37/628236637.db2.gz FZKYQYCWSZUQOG-UHFFFAOYSA-N 1 1 293.370 3.482 20 10 CGCDMO C[N@@H+](Cc1ccc(Cl)cn1)Cc1ccccc1O ZINC000778219653 628334648 /nfs/dbraw/zinc/33/46/48/628334648.db2.gz IZVKEKBEHQNYQA-UHFFFAOYSA-N 1 1 262.740 3.073 20 10 CGCDMO Cc1ccc(C[N@@H+](Cc2ccccc2O)C2CC2)o1 ZINC000778996509 628381642 /nfs/dbraw/zinc/38/16/42/628381642.db2.gz SBHSWAIKMFCCIK-UHFFFAOYSA-N 1 1 257.333 3.458 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](C(C)C)C2)cc1OC ZINC000780499498 628493050 /nfs/dbraw/zinc/49/30/50/628493050.db2.gz SIYQSYSVRHNWNC-ZDUSSCGKSA-N 1 1 293.407 3.277 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)C(C)C)c1 ZINC000781894850 628602649 /nfs/dbraw/zinc/60/26/49/628602649.db2.gz MYNTXWMJRYJBGX-UHFFFAOYSA-N 1 1 272.186 3.303 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@H+](C)C(C)C)c1 ZINC000781894850 628602652 /nfs/dbraw/zinc/60/26/52/628602652.db2.gz MYNTXWMJRYJBGX-UHFFFAOYSA-N 1 1 272.186 3.303 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC2(C)C)c1 ZINC000781912411 628604707 /nfs/dbraw/zinc/60/47/07/628604707.db2.gz POGHRNLVQNIESM-UHFFFAOYSA-N 1 1 284.197 3.447 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC2(C)C)c1 ZINC000781912411 628604710 /nfs/dbraw/zinc/60/47/10/628604710.db2.gz POGHRNLVQNIESM-UHFFFAOYSA-N 1 1 284.197 3.447 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)[C@@H]1CO ZINC000785984168 628906042 /nfs/dbraw/zinc/90/60/42/628906042.db2.gz HHJDNEYZOKWEHK-RDTXWAMCSA-N 1 1 297.398 3.262 20 10 CGCDMO CCOCCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788500091 629060237 /nfs/dbraw/zinc/06/02/37/629060237.db2.gz YNPMMALJMXWMAZ-SNVBAGLBSA-N 1 1 291.313 3.488 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H](C)N(C)C)c1cccc(C(F)(F)F)c1O ZINC000788590338 629066573 /nfs/dbraw/zinc/06/65/73/629066573.db2.gz VMCRROFKBQMWOQ-NXEZZACHSA-N 1 1 290.329 3.012 20 10 CGCDMO CC(C)OCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788742652 629078074 /nfs/dbraw/zinc/07/80/74/629078074.db2.gz XONHUIJIMALUPK-SNVBAGLBSA-N 1 1 291.313 3.487 20 10 CGCDMO C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccccc1O ZINC000789726245 629164685 /nfs/dbraw/zinc/16/46/85/629164685.db2.gz BXGDGBQXISJEIT-UHFFFAOYSA-N 1 1 283.331 3.007 20 10 CGCDMO C[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)C1CC1 ZINC000790955659 629241854 /nfs/dbraw/zinc/24/18/54/629241854.db2.gz HINPTYSZQFNSHS-QMMMGPOBSA-N 1 1 257.736 3.320 20 10 CGCDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000790934633 629242018 /nfs/dbraw/zinc/24/20/18/629242018.db2.gz PVOABYWPTTUSLX-FZMZJTMJSA-N 1 1 283.799 3.171 20 10 CGCDMO CC1(C)C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@H]1O ZINC000790937201 629242418 /nfs/dbraw/zinc/24/24/18/629242418.db2.gz IBZDHTZWANCVQZ-GOSISDBHSA-N 1 1 297.398 3.262 20 10 CGCDMO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790958655 629243025 /nfs/dbraw/zinc/24/30/25/629243025.db2.gz KAUHOWXVRNHNFA-XPTSAGLGSA-N 1 1 289.778 3.071 20 10 CGCDMO C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C1CCC1 ZINC000790979723 629245986 /nfs/dbraw/zinc/24/59/86/629245986.db2.gz GWUNRGZMUHWHOK-MRVPVSSYSA-N 1 1 257.736 3.463 20 10 CGCDMO CCCCC[N@H+](CCO)Cc1c(O)ccc(Cl)c1F ZINC000792162839 629342714 /nfs/dbraw/zinc/34/27/14/629342714.db2.gz QFBQDQJQHAKSLX-UHFFFAOYSA-N 1 1 289.778 3.169 20 10 CGCDMO CCCCC[N@@H+](CCO)Cc1c(O)ccc(Cl)c1F ZINC000792162839 629342716 /nfs/dbraw/zinc/34/27/16/629342716.db2.gz QFBQDQJQHAKSLX-UHFFFAOYSA-N 1 1 289.778 3.169 20 10 CGCDMO COCC[N@@H+](Cc1cccc(C)c1O)[C@H]1CC[C@@H](C)C1 ZINC000792193155 629347988 /nfs/dbraw/zinc/34/79/88/629347988.db2.gz RJRSIYRTKQGJRG-CJNGLKHVSA-N 1 1 277.408 3.338 20 10 CGCDMO C[C@H]1COC(C)(C)C[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000792726796 629377816 /nfs/dbraw/zinc/37/78/16/629377816.db2.gz XKDLJSSWRMWUHI-ZDUSSCGKSA-N 1 1 289.419 3.270 20 10 CGCDMO Oc1ccc(-c2ccccc2)cc1C[NH+]1CC2(C1)CCCO2 ZINC000862484363 629386012 /nfs/dbraw/zinc/38/60/12/629386012.db2.gz LWAQVDNHGVGETO-UHFFFAOYSA-N 1 1 295.382 3.424 20 10 CGCDMO Oc1c(C[N@H+]2CCO[C@@H](CCF)C2)ccc2ccccc21 ZINC000862529417 629391756 /nfs/dbraw/zinc/39/17/56/629391756.db2.gz DRCJCUHEFWSYCS-HNNXBMFYSA-N 1 1 289.350 3.106 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@@H](C2CC2)O1 ZINC000793219889 629430545 /nfs/dbraw/zinc/43/05/45/629430545.db2.gz PJMUCRVACHITAB-BMIGLBTASA-N 1 1 281.783 3.045 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@@H](C2CC2)O1 ZINC000793219889 629430546 /nfs/dbraw/zinc/43/05/46/629430546.db2.gz PJMUCRVACHITAB-BMIGLBTASA-N 1 1 281.783 3.045 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](CC1CC1)C1CCC1 ZINC000793395032 629454057 /nfs/dbraw/zinc/45/40/57/629454057.db2.gz OZYCQNSUWMYHAX-UHFFFAOYSA-N 1 1 261.365 3.165 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1O ZINC000793525301 629474848 /nfs/dbraw/zinc/47/48/48/629474848.db2.gz HXOHLRFGUZWAGR-HIFRSBDPSA-N 1 1 297.345 3.186 20 10 CGCDMO CC1=C(C)C[N@@H+](Cc2c(O)ccc3ccncc32)CC1 ZINC000794882689 629594012 /nfs/dbraw/zinc/59/40/12/629594012.db2.gz UCPSWDOUUPQLBN-UHFFFAOYSA-N 1 1 268.360 3.483 20 10 CGCDMO CCC(CC)[C@H](O)C[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000796758307 629827876 /nfs/dbraw/zinc/82/78/76/629827876.db2.gz FSMAEPZHHRXGMC-GOEBONIOSA-N 1 1 283.387 3.369 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CCCCN1CC)c1ccc(F)cc1O ZINC000796764550 629829540 /nfs/dbraw/zinc/82/95/40/629829540.db2.gz VEMPKUJNUIMXLB-ZBFHGGJFSA-N 1 1 294.414 3.446 20 10 CGCDMO CC[C@H]([NH2+]Cc1ncccc1F)c1ccc(F)cc1O ZINC000796840269 629845735 /nfs/dbraw/zinc/84/57/35/629845735.db2.gz MMYYGGOHSNQVQT-ZDUSSCGKSA-N 1 1 278.302 3.306 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1ccc(F)cc1O ZINC000797064648 629880675 /nfs/dbraw/zinc/88/06/75/629880675.db2.gz HRVSOGNGQPPUCW-JIMOISOXSA-N 1 1 269.385 3.324 20 10 CGCDMO CC[C@H](C)[N@H+](CC(=O)OC)Cc1cc(Cl)cc(C)c1O ZINC000798954966 630128643 /nfs/dbraw/zinc/12/86/43/630128643.db2.gz IJYNHIZEVGBEGI-NSHDSACASA-N 1 1 299.798 3.128 20 10 CGCDMO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1cc(Cl)cc(C)c1O ZINC000798954966 630128646 /nfs/dbraw/zinc/12/86/46/630128646.db2.gz IJYNHIZEVGBEGI-NSHDSACASA-N 1 1 299.798 3.128 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000798962956 630128977 /nfs/dbraw/zinc/12/89/77/630128977.db2.gz UJWGRCNRLPQKCR-LBPRGKRZSA-N 1 1 288.778 3.430 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCCC[C@H]2c2ccnn2C)c1 ZINC000799148078 630150149 /nfs/dbraw/zinc/15/01/49/630150149.db2.gz KQNUMFIEBCYCSN-KRWDZBQOSA-N 1 1 299.418 3.470 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CCOc3cccc(F)c3C2)c1 ZINC000802656097 630403172 /nfs/dbraw/zinc/40/31/72/630403172.db2.gz KGAKTRZAMPMILU-UHFFFAOYSA-N 1 1 287.334 3.234 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCOc3cccc(F)c3C2)c1 ZINC000802656097 630403174 /nfs/dbraw/zinc/40/31/74/630403174.db2.gz KGAKTRZAMPMILU-UHFFFAOYSA-N 1 1 287.334 3.234 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cc(C)cc(C)c2O)CC1(C)C ZINC000840122998 630604828 /nfs/dbraw/zinc/60/48/28/630604828.db2.gz GHAVZOYOYPLYMG-HNNXBMFYSA-N 1 1 277.408 3.256 20 10 CGCDMO CC1(C)CC[C@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000808422098 630643044 /nfs/dbraw/zinc/64/30/44/630643044.db2.gz XOMJCWCVURVFSN-LLVKDONJSA-N 1 1 257.736 3.463 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000809728970 630793005 /nfs/dbraw/zinc/79/30/05/630793005.db2.gz NENUHKVBMMREBZ-MRXNPFEDSA-N 1 1 284.359 3.133 20 10 CGCDMO CC[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@@H](C)OC ZINC000812303049 631236441 /nfs/dbraw/zinc/23/64/41/631236441.db2.gz KHSIDUCHBACDFO-GFCCVEGCSA-N 1 1 295.423 3.252 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2Cc3ccccc3O[C@@H](C)C2)c1 ZINC000814177667 631538791 /nfs/dbraw/zinc/53/87/91/631538791.db2.gz LIMPHDAWLVAZCD-AWEZNQCLSA-N 1 1 283.371 3.484 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000814178432 631540345 /nfs/dbraw/zinc/54/03/45/631540345.db2.gz POGWAZOEPWYKGB-CQSZACIVSA-N 1 1 295.810 3.294 20 10 CGCDMO C[C@@H]([NH2+]CC(C)(C)CO)c1cccc(C(F)(F)F)c1O ZINC000815596729 631803171 /nfs/dbraw/zinc/80/31/71/631803171.db2.gz CNDMIUQDECQPPV-SECBINFHSA-N 1 1 291.313 3.080 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1ccc(F)cc1O ZINC000815642376 631810944 /nfs/dbraw/zinc/81/09/44/631810944.db2.gz AEQLMFJWLJYBIM-QMTHXVAHSA-N 1 1 290.338 3.434 20 10 CGCDMO CCO[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816477590 631986799 /nfs/dbraw/zinc/98/67/99/631986799.db2.gz CSYFLLBWXZLUHX-LLVKDONJSA-N 1 1 287.762 3.186 20 10 CGCDMO CCO[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816477590 631986801 /nfs/dbraw/zinc/98/68/01/631986801.db2.gz CSYFLLBWXZLUHX-LLVKDONJSA-N 1 1 287.762 3.186 20 10 CGCDMO CCc1nocc1C[N@H+](CC)Cc1ccc(N(C)C)cc1 ZINC000816480085 631987348 /nfs/dbraw/zinc/98/73/48/631987348.db2.gz CLBMNCHOUJYXQL-UHFFFAOYSA-N 1 1 287.407 3.325 20 10 CGCDMO OC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC000816550536 632008544 /nfs/dbraw/zinc/00/85/44/632008544.db2.gz UCYQUEXRUGSQKR-AWEZNQCLSA-N 1 1 295.741 3.008 20 10 CGCDMO COC(C)(C)C[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816554282 632010636 /nfs/dbraw/zinc/01/06/36/632010636.db2.gz UBBPOUAAZNGNPV-VIFPVBQESA-N 1 1 289.778 3.478 20 10 CGCDMO CC1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCOCC1 ZINC000816555816 632011441 /nfs/dbraw/zinc/01/14/41/632011441.db2.gz QVJZGKHHCDKGMF-UHFFFAOYSA-N 1 1 287.762 3.091 20 10 CGCDMO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C[C@H](C)O1 ZINC000816559757 632013062 /nfs/dbraw/zinc/01/30/62/632013062.db2.gz UDVRBZACMGDMIO-DOFRTFSJSA-N 1 1 287.762 3.230 20 10 CGCDMO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816564365 632013609 /nfs/dbraw/zinc/01/36/09/632013609.db2.gz COEVEDSMEQGISL-HIFRSBDPSA-N 1 1 285.387 3.138 20 10 CGCDMO C[N@@H+](CCCn1ccnc1)Cc1ccc2ccccc2c1O ZINC000816611302 632022939 /nfs/dbraw/zinc/02/29/39/632022939.db2.gz MNMIPRVOSVLGEY-UHFFFAOYSA-N 1 1 295.386 3.264 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000816630729 632026693 /nfs/dbraw/zinc/02/66/93/632026693.db2.gz PHLUSNLCBQSIHM-CYBMUJFWSA-N 1 1 299.773 3.064 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000816630729 632026699 /nfs/dbraw/zinc/02/66/99/632026699.db2.gz PHLUSNLCBQSIHM-CYBMUJFWSA-N 1 1 299.773 3.064 20 10 CGCDMO Cc1ccc([C@@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817938677 632239768 /nfs/dbraw/zinc/23/97/68/632239768.db2.gz PLYJKAKVEXSMIP-BEFAXECRSA-N 1 1 297.446 3.412 20 10 CGCDMO CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817945211 632242611 /nfs/dbraw/zinc/24/26/11/632242611.db2.gz XGGXQGKPIQQCHE-GZMMTYOYSA-N 1 1 289.206 3.102 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817946084 632243277 /nfs/dbraw/zinc/24/32/77/632243277.db2.gz RCXDCGOETBECCR-FZMZJTMJSA-N 1 1 282.815 3.086 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cc(Cl)ccc1[O-] ZINC000817970076 632263116 /nfs/dbraw/zinc/26/31/16/632263116.db2.gz KWVAFLJJFPJYFW-SCRDCRAPSA-N 1 1 282.815 3.356 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000817971798 632263850 /nfs/dbraw/zinc/26/38/50/632263850.db2.gz QDIKJXCJENJBIL-SUHUHFCYSA-N 1 1 282.815 3.227 20 10 CGCDMO C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000817976751 632267350 /nfs/dbraw/zinc/26/73/50/632267350.db2.gz SUGAZBIBFIUGJV-QWRGUYRKSA-N 1 1 270.804 3.214 20 10 CGCDMO C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc2ccccc2c1[O-] ZINC000817982920 632273213 /nfs/dbraw/zinc/27/32/13/632273213.db2.gz WIDRLZIKRNQYFR-YDHLFZDLSA-N 1 1 284.403 3.323 20 10 CGCDMO CCc1nc(N[C@@H](C)c2ccccc2O)cc(C)[nH+]1 ZINC000866238088 633039197 /nfs/dbraw/zinc/03/91/97/633039197.db2.gz LYCOKQXDPPYLGS-NSHDSACASA-N 1 1 257.337 3.226 20 10 CGCDMO COc1cccc(C[N@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1O ZINC000824703128 633276882 /nfs/dbraw/zinc/27/68/82/633276882.db2.gz WFZYWUQRQRDKAE-FHIHXZLISA-N 1 1 285.387 3.045 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1 ZINC000824702520 633276932 /nfs/dbraw/zinc/27/69/32/633276932.db2.gz MVUVHRHJRICGRZ-YUFPNPJJSA-N 1 1 285.387 3.045 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](Cc2ccc(=O)[nH]c2)C2CC2)cc1 ZINC000876570922 634860413 /nfs/dbraw/zinc/86/04/13/634860413.db2.gz PWGUAWKHHSUPPN-UHFFFAOYSA-N 1 1 297.402 3.018 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCSC[C@@H]2C2CC2)cc1F ZINC000824914799 633305257 /nfs/dbraw/zinc/30/52/57/633305257.db2.gz ZMSAYIAZGSGAQH-MRXNPFEDSA-N 1 1 294.439 3.219 20 10 CGCDMO CCOc1cccc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c1O ZINC000824941445 633309097 /nfs/dbraw/zinc/30/90/97/633309097.db2.gz NQUFTNHGAWBSJT-DOTOQJQBSA-N 1 1 287.403 3.411 20 10 CGCDMO COc1cccc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c1O ZINC000824941361 633309159 /nfs/dbraw/zinc/30/91/59/633309159.db2.gz MSMRTWKOTJUFLN-HOCLYGCPSA-N 1 1 273.376 3.021 20 10 CGCDMO CCCc1ncc(C[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC000825078993 633325893 /nfs/dbraw/zinc/32/58/93/633325893.db2.gz ITVHPPZMQJLZQX-UHFFFAOYSA-N 1 1 274.364 3.234 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1Cl ZINC000825127434 633330832 /nfs/dbraw/zinc/33/08/32/633330832.db2.gz XKRPZGCOGVJNEO-LBPRGKRZSA-N 1 1 296.842 3.176 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](COC)CC2)c1 ZINC000825321738 633344943 /nfs/dbraw/zinc/34/49/43/633344943.db2.gz MLDCDQARQKNQGW-CQSZACIVSA-N 1 1 293.407 3.039 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](CC(C)(C)O)C2CC2)cc1Cl ZINC000825563560 633365106 /nfs/dbraw/zinc/36/51/06/633365106.db2.gz ZHGYRGHWSPEIBL-UHFFFAOYSA-N 1 1 283.799 3.089 20 10 CGCDMO COc1ccc2c(c1)CCCCN2Cc1c[nH+]c2n1CCC2 ZINC000825944711 633390701 /nfs/dbraw/zinc/39/07/01/633390701.db2.gz ZUSMZUMYWUQHQR-UHFFFAOYSA-N 1 1 297.402 3.181 20 10 CGCDMO Cc1cccc(CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1O ZINC000827261068 633475858 /nfs/dbraw/zinc/47/58/58/633475858.db2.gz UFGQJCUHXWTCFC-MRXNPFEDSA-N 1 1 288.435 3.197 20 10 CGCDMO Cc1cccc(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)c1O ZINC000827261068 633475864 /nfs/dbraw/zinc/47/58/64/633475864.db2.gz UFGQJCUHXWTCFC-MRXNPFEDSA-N 1 1 288.435 3.197 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000827595821 633501811 /nfs/dbraw/zinc/50/18/11/633501811.db2.gz RDANCLIIZCHAEG-IAGOWNOFSA-N 1 1 288.435 3.001 20 10 CGCDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2csc(Cl)n2)c1 ZINC000828681799 633642293 /nfs/dbraw/zinc/64/22/93/633642293.db2.gz GUQAGDBPCVICTR-QMMMGPOBSA-N 1 1 298.795 3.362 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1 ZINC000828905257 633668052 /nfs/dbraw/zinc/66/80/52/633668052.db2.gz MEQTXJPVGDSWLB-WMZOPIPTSA-N 1 1 288.435 3.144 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)c1nccnc1C)c1ccc(F)cc1O ZINC000872133072 634054699 /nfs/dbraw/zinc/05/46/99/634054699.db2.gz JXXHJFKACLDNFF-FZMZJTMJSA-N 1 1 289.354 3.432 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872261908 634091948 /nfs/dbraw/zinc/09/19/48/634091948.db2.gz KBQDSUOAINLNLO-INIZCTEOSA-N 1 1 293.382 3.455 20 10 CGCDMO CC(C)CN1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000834501551 634174785 /nfs/dbraw/zinc/17/47/85/634174785.db2.gz CMIKULXXOCBLRG-MRXNPFEDSA-N 1 1 288.435 3.090 20 10 CGCDMO CCc1nc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)co1 ZINC000834896514 634273039 /nfs/dbraw/zinc/27/30/39/634273039.db2.gz CRPHAWBYCKSRGB-SKDRFNHKSA-N 1 1 290.338 3.420 20 10 CGCDMO CCCc1ncc(C[NH2+][C@@H](C)c2ccc(F)cc2O)o1 ZINC000834900401 634276322 /nfs/dbraw/zinc/27/63/22/634276322.db2.gz PMLDSBHBNHPTNU-JTQLQIEISA-N 1 1 278.327 3.323 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)[C@@H](OC)C1CC1)c1ccc(F)cc1O ZINC000834903984 634281249 /nfs/dbraw/zinc/28/12/49/634281249.db2.gz MQPNFCBXFUUUDQ-FUEDEBDSSA-N 1 1 281.371 3.386 20 10 CGCDMO C[C@H]([NH2+]CCN1CCCC1(C)C)c1ccc(F)cc1O ZINC000834908582 634283327 /nfs/dbraw/zinc/28/33/27/634283327.db2.gz GHEHMQZUTQQIQW-LBPRGKRZSA-N 1 1 280.387 3.056 20 10 CGCDMO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)c2c1c(F)ccc2[O-] ZINC000873240284 634298019 /nfs/dbraw/zinc/29/80/19/634298019.db2.gz NGKFWGXKUDXHQC-ZJQBRPOHSA-N 1 1 292.398 3.187 20 10 CGCDMO C[C@H](O)C[C@@H]1CCC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835028152 634325860 /nfs/dbraw/zinc/32/58/60/634325860.db2.gz KCKWOZKVGMYDMZ-HRHLHYAFSA-N 1 1 288.435 3.001 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)C[C@H]2CCCCO2)cc1 ZINC000835029087 634326418 /nfs/dbraw/zinc/32/64/18/634326418.db2.gz UUTXCOQQPMADEP-IPLHWJFFSA-N 1 1 288.435 3.267 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000835029681 634326476 /nfs/dbraw/zinc/32/64/76/634326476.db2.gz YUGKYUSQLJCBLW-AATOQMJSSA-N 1 1 288.435 3.124 20 10 CGCDMO CCOCC[N@@H+](CC)C/C=C\c1ccc(N(C)C)cc1 ZINC000835029612 634326491 /nfs/dbraw/zinc/32/64/91/634326491.db2.gz YADMFUAXSOEZAI-FPLPWBNLSA-N 1 1 276.424 3.124 20 10 CGCDMO CC(C)[N@@H+](C)C[C@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835055880 634339497 /nfs/dbraw/zinc/33/94/97/634339497.db2.gz OWVHYRGUTPXVRP-PTZVLDCSSA-N 1 1 289.467 3.084 20 10 CGCDMO CC(C)[N@H+](C)C[C@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835055880 634339503 /nfs/dbraw/zinc/33/95/03/634339503.db2.gz OWVHYRGUTPXVRP-PTZVLDCSSA-N 1 1 289.467 3.084 20 10 CGCDMO COC[C@@H]1CCCC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835055077 634339678 /nfs/dbraw/zinc/33/96/78/634339678.db2.gz QJULJQWNVYNDIL-MJRGOJFPSA-N 1 1 288.435 3.267 20 10 CGCDMO Cc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](C)O)c(O)c1 ZINC000876618905 634869256 /nfs/dbraw/zinc/86/92/56/634869256.db2.gz IRKSQXMZXZUWGK-OAHLLOKOSA-N 1 1 285.387 3.084 20 10 CGCDMO Cc1ccc(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)c(O)c1 ZINC000876724427 634887195 /nfs/dbraw/zinc/88/71/95/634887195.db2.gz WQUIVWXDSJTADM-CQSZACIVSA-N 1 1 285.387 3.469 20 10 CGCDMO COc1ccc(C[NH2+]Cc2cc(C3CC3)no2)cc1C ZINC000876996243 634946420 /nfs/dbraw/zinc/94/64/20/634946420.db2.gz QKUSOPHLUNOUHL-UHFFFAOYSA-N 1 1 272.348 3.159 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c(O)c1 ZINC000877425670 635039764 /nfs/dbraw/zinc/03/97/64/635039764.db2.gz DHEWNULUIIMREK-MRXNPFEDSA-N 1 1 275.392 3.092 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCOCC12CCCC2 ZINC000840919186 635082373 /nfs/dbraw/zinc/08/23/73/635082373.db2.gz WYAODSMHDKIKCN-UHFFFAOYSA-N 1 1 288.435 3.206 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)CCc1nccs1 ZINC000840919017 635083255 /nfs/dbraw/zinc/08/32/55/635083255.db2.gz RCKQDTWXJRHSLO-UHFFFAOYSA-N 1 1 289.448 3.192 20 10 CGCDMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840939294 635086966 /nfs/dbraw/zinc/08/69/66/635086966.db2.gz MRFVKUUIZLCSAH-SFHVURJKSA-N 1 1 290.451 3.046 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000840941168 635087882 /nfs/dbraw/zinc/08/78/82/635087882.db2.gz POWLNVCIUQWSCD-RDTXWAMCSA-N 1 1 288.435 3.060 20 10 CGCDMO C[C@@H]1C[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2O)[C@H](C)O1 ZINC000840964933 635094997 /nfs/dbraw/zinc/09/49/97/635094997.db2.gz YHGZVLLDJAEAPW-UTLUCORTSA-N 1 1 287.762 3.088 20 10 CGCDMO Cc1cccc(O)c1C[N@H+](C)C[C@](C)(O)c1ccccc1 ZINC000877599043 635106795 /nfs/dbraw/zinc/10/67/95/635106795.db2.gz ORCCZCAFRFCIKU-SFHVURJKSA-N 1 1 285.387 3.040 20 10 CGCDMO Cc1cc(O)c(CNC[C@@H]([NH3+])c2ccccc2)c(Cl)c1 ZINC000841036787 635111505 /nfs/dbraw/zinc/11/15/05/635111505.db2.gz MLOATJWDBSEIPT-OAHLLOKOSA-N 1 1 290.794 3.144 20 10 CGCDMO CC(C)c1ncc(C[N@@H+]2Cc3cccc(O)c3C2)s1 ZINC000877702747 635153771 /nfs/dbraw/zinc/15/37/71/635153771.db2.gz FYSNCLXYCFWDJS-UHFFFAOYSA-N 1 1 274.389 3.488 20 10 CGCDMO CC(C)c1ncc(C[N@H+]2Cc3cccc(O)c3C2)s1 ZINC000877702747 635153774 /nfs/dbraw/zinc/15/37/74/635153774.db2.gz FYSNCLXYCFWDJS-UHFFFAOYSA-N 1 1 274.389 3.488 20 10 CGCDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877702531 635154396 /nfs/dbraw/zinc/15/43/96/635154396.db2.gz AHBFYLLJLBSCRO-UHFFFAOYSA-N 1 1 298.342 3.433 20 10 CGCDMO COCCCC[N@@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000841689058 635212862 /nfs/dbraw/zinc/21/28/62/635212862.db2.gz BMZYEZWUAZELGH-UHFFFAOYSA-N 1 1 295.423 3.254 20 10 CGCDMO COCCCC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841743861 635222460 /nfs/dbraw/zinc/22/24/60/635222460.db2.gz CQPXNILJHGMDHG-JTQLQIEISA-N 1 1 257.761 3.123 20 10 CGCDMO CO[C@H](C)CC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841747916 635223814 /nfs/dbraw/zinc/22/38/14/635223814.db2.gz UWWKUTZTHZLUJE-NXEZZACHSA-N 1 1 257.761 3.121 20 10 CGCDMO Cc1noc(CCC[NH2+][C@H](C)c2ccc(Cl)cc2O)n1 ZINC000841747397 635224369 /nfs/dbraw/zinc/22/43/69/635224369.db2.gz FTLUARCDJAVWGY-SECBINFHSA-N 1 1 295.770 3.020 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1ccc(Cl)cc1O ZINC000841755288 635229154 /nfs/dbraw/zinc/22/91/54/635229154.db2.gz IXYZSNUEWRACHR-GMXVVIOVSA-N 1 1 283.799 3.247 20 10 CGCDMO [NH3+]CCN(Cc1ccccc1)Cc1cccc(Cl)c1O ZINC000843059219 635554746 /nfs/dbraw/zinc/55/47/46/635554746.db2.gz HCDIFVIWWXMCNA-UHFFFAOYSA-N 1 1 290.794 3.007 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cc(Cl)ccc1[O-] ZINC000843344364 635652655 /nfs/dbraw/zinc/65/26/55/635652655.db2.gz XGJHRBRBDILRCY-LLVKDONJSA-N 1 1 290.794 3.355 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000843417597 635663410 /nfs/dbraw/zinc/66/34/10/635663410.db2.gz VECNVZGKFCDYHN-WFASDCNBSA-N 1 1 295.810 3.437 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000843417494 635663464 /nfs/dbraw/zinc/66/34/64/635663464.db2.gz VECNVZGKFCDYHN-DOMZBBRYSA-N 1 1 295.810 3.437 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000844441636 635903391 /nfs/dbraw/zinc/90/33/91/635903391.db2.gz PXXREBYPDLYSQW-OAHLLOKOSA-N 1 1 280.362 3.374 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(OC)c(C)cc2O)[C@@H](CC)CO1 ZINC000844722937 635957631 /nfs/dbraw/zinc/95/76/31/635957631.db2.gz JQWMSDQVIYINBI-GJZGRUSLSA-N 1 1 293.407 3.099 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC[C@H](OC(C)C)C2)c(O)c1 ZINC000846016625 636129823 /nfs/dbraw/zinc/12/98/23/636129823.db2.gz WFJUHGUZBNYLPW-INIZCTEOSA-N 1 1 293.407 3.180 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c1O ZINC000846106415 636144024 /nfs/dbraw/zinc/14/40/24/636144024.db2.gz BBLKQHFDQCRNNT-HNNXBMFYSA-N 1 1 297.345 3.412 20 10 CGCDMO CCCC[N@H+](C)C[C@@H](C)N[C@@H](C)c1cccc(OC)c1O ZINC000846169613 636152966 /nfs/dbraw/zinc/15/29/66/636152966.db2.gz FVXIPSBUAQXCBX-KGLIPLIRSA-N 1 1 294.439 3.172 20 10 CGCDMO CCCC[N@@H+](C)C[C@@H](C)N[C@@H](C)c1cccc(OC)c1O ZINC000846169613 636152970 /nfs/dbraw/zinc/15/29/70/636152970.db2.gz FVXIPSBUAQXCBX-KGLIPLIRSA-N 1 1 294.439 3.172 20 10 CGCDMO CO[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1 ZINC000882912549 636461014 /nfs/dbraw/zinc/46/10/14/636461014.db2.gz WWRSBTCWBFKESB-OAHLLOKOSA-N 1 1 293.313 3.148 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000883049930 636520982 /nfs/dbraw/zinc/52/09/82/636520982.db2.gz YQVOEBSAQJFXLV-ZDUSSCGKSA-N 1 1 297.345 3.252 20 10 CGCDMO COCC(C)(C)CCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000883119809 636546185 /nfs/dbraw/zinc/54/61/85/636546185.db2.gz KWKSPLOFIPYZEA-UHFFFAOYSA-N 1 1 287.350 3.213 20 10 CGCDMO CCc1cccc(C[N@H+]2CCCC[C@H]2C[C@H](C)O)c1O ZINC000848907602 636685529 /nfs/dbraw/zinc/68/55/29/636685529.db2.gz GAVFNMQXGGHMKN-BBRMVZONSA-N 1 1 277.408 3.080 20 10 CGCDMO CCOc1ccc(O)c(C[NH2+][C@H](C)c2cscn2)c1 ZINC000850359291 637027954 /nfs/dbraw/zinc/02/79/54/637027954.db2.gz CTMHDUWHIGUQFF-SNVBAGLBSA-N 1 1 278.377 3.098 20 10 CGCDMO CC[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccc(F)cc1O ZINC000850495183 637091316 /nfs/dbraw/zinc/09/13/16/637091316.db2.gz XVQXZLIWQMYCHD-DZGCQCFKSA-N 1 1 294.414 3.445 20 10 CGCDMO C[C@H](O)[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccccc1 ZINC000850583227 637132890 /nfs/dbraw/zinc/13/28/90/637132890.db2.gz JQCQDAARIGMSLZ-PRXAMGSTSA-N 1 1 289.350 3.304 20 10 CGCDMO C[C@@H](O)c1ccc(C[NH2+][C@H](C)c2c(O)cccc2F)cc1 ZINC000886510864 637546974 /nfs/dbraw/zinc/54/69/74/637546974.db2.gz BGWDCQKJNXORGY-VXGBXAGGSA-N 1 1 289.350 3.435 20 10 CGCDMO C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1c(O)cccc1F ZINC000886528330 637555155 /nfs/dbraw/zinc/55/51/55/637555155.db2.gz KHUHJFPZHSUKOE-YVEFUNNKSA-N 1 1 289.350 3.090 20 10 CGCDMO C[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1c(O)cccc1F ZINC000886531171 637556829 /nfs/dbraw/zinc/55/68/29/637556829.db2.gz XLLPNBOKPVRJIB-MEBBXXQBSA-N 1 1 295.379 3.151 20 10 CGCDMO C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1c(O)cccc1F ZINC000886547280 637573781 /nfs/dbraw/zinc/57/37/81/637573781.db2.gz IMWMFDXNLYQMAU-HZMBPMFUSA-N 1 1 293.313 3.055 20 10 CGCDMO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1c(O)cccc1F ZINC000886562395 637583233 /nfs/dbraw/zinc/58/32/33/637583233.db2.gz YLPLKFRPPJNTOO-TZCMFKBTSA-N 1 1 291.366 3.140 20 10 CGCDMO CCOC[C@@H]([NH2+][C@H](C)c1c(O)cccc1F)C(C)C ZINC000886599000 637598192 /nfs/dbraw/zinc/59/81/92/637598192.db2.gz OVWAITTXYCCYKJ-DGCLKSJQSA-N 1 1 269.360 3.243 20 10 CGCDMO CCOC[C@H]([NH2+][C@@H](C)c1c(O)cccc1F)C(C)C ZINC000886598999 637598718 /nfs/dbraw/zinc/59/87/18/637598718.db2.gz OVWAITTXYCCYKJ-AAEUAGOBSA-N 1 1 269.360 3.243 20 10 CGCDMO COC1(C[NH2+][C@H](C)c2c(O)cccc2F)CCCC1 ZINC000886615823 637607435 /nfs/dbraw/zinc/60/74/35/637607435.db2.gz ORMLHLRNGPXMFK-LLVKDONJSA-N 1 1 267.344 3.141 20 10 CGCDMO C[C@H]([NH2+]CC[C@H]1CCSC1)c1c(O)cccc1F ZINC000886645109 637627130 /nfs/dbraw/zinc/62/71/30/637627130.db2.gz RJBGDYLZSYSOFP-QWRGUYRKSA-N 1 1 269.385 3.325 20 10 CGCDMO C[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccccc1O ZINC000111236496 637805279 /nfs/dbraw/zinc/80/52/79/637805279.db2.gz APAAFLKUHABEEE-UHFFFAOYSA-N 1 1 263.287 3.302 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)C[NH2+]C)c1ccc(Cl)c(Cl)c1[O-] ZINC000854233105 638030142 /nfs/dbraw/zinc/03/01/42/638030142.db2.gz XQMZIOBCQVSBSJ-GZMMTYOYSA-N 1 1 291.222 3.348 20 10 CGCDMO CC[C@@H]1C[C@H]1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000929185951 638906284 /nfs/dbraw/zinc/90/62/84/638906284.db2.gz VLNICAXVJLQONU-SJORKVTESA-N 1 1 288.435 3.001 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H]2c2ccnn2C)cc1 ZINC000932264971 639305092 /nfs/dbraw/zinc/30/50/92/639305092.db2.gz LOMGTWNONUFORI-GOSISDBHSA-N 1 1 298.434 3.213 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@@H]2C2CCC2)c(O)cc1C ZINC000160127054 640090871 /nfs/dbraw/zinc/09/08/71/640090871.db2.gz JXTZLGRVERHUHI-OAHLLOKOSA-N 1 1 275.392 3.474 20 10 CGCDMO CCC[N@@H+](Cc1ccc(F)nc1)Cc1ccccc1O ZINC000189312504 640187002 /nfs/dbraw/zinc/18/70/02/640187002.db2.gz SXOBTBCXZKQKLM-UHFFFAOYSA-N 1 1 274.339 3.339 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCS[C@H](C)[C@H]2C)cc1C ZINC000246449062 640675427 /nfs/dbraw/zinc/67/54/27/640675427.db2.gz VKFSDYAAPXYQAJ-CHWSQXEVSA-N 1 1 265.422 3.335 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(C)cc(C)c2O)C[C@@H](C)O1 ZINC000247000863 640705849 /nfs/dbraw/zinc/70/58/49/640705849.db2.gz UEINJLHJZPKGHU-UKRRQHHQSA-N 1 1 263.381 3.008 20 10 CGCDMO Cc1occc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000092438406 640737535 /nfs/dbraw/zinc/73/75/35/640737535.db2.gz DMAQZOQUBAKXJX-UHFFFAOYSA-N 1 1 258.365 3.286 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)c1 ZINC000248376083 640754032 /nfs/dbraw/zinc/75/40/32/640754032.db2.gz ZDTOCLVRQXSXHO-APHBMKBZSA-N 1 1 275.392 3.411 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCOC[C@@H]2CC(C)C)c1 ZINC000093340293 640769001 /nfs/dbraw/zinc/76/90/01/640769001.db2.gz NWTUKAUNPQKRNF-HNNXBMFYSA-N 1 1 293.407 3.038 20 10 CGCDMO C[C@H]1OCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@H]1C ZINC000093417771 640771381 /nfs/dbraw/zinc/77/13/81/640771381.db2.gz ZFRLHTRQCZRKNS-JKSUJKDBSA-N 1 1 288.435 3.286 20 10 CGCDMO COCCC[N@@H+](C)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000126967666 799010451 /nfs/dbraw/zinc/01/04/51/799010451.db2.gz YRFXVAUKTRPXDF-UHFFFAOYSA-N 1 1 279.424 3.466 20 10 CGCDMO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000391853747 799479508 /nfs/dbraw/zinc/47/95/08/799479508.db2.gz TZJLCXQXCZAYGX-QWRGUYRKSA-N 1 1 290.436 3.324 20 10 CGCDMO CC(C)[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCCO1 ZINC000394506751 799496914 /nfs/dbraw/zinc/49/69/14/799496914.db2.gz WFJBYXKFPDXTAQ-OAHLLOKOSA-N 1 1 283.799 3.293 20 10 CGCDMO Cc1cc(C)c(C[NH2+][C@H](C)c2ccc(F)cc2O)cn1 ZINC000397055446 799513857 /nfs/dbraw/zinc/51/38/57/799513857.db2.gz TUCFXJNNMQCIST-GFCCVEGCSA-N 1 1 274.339 3.394 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCCC1(F)F)c1cc(F)ccc1O ZINC000398212081 799528472 /nfs/dbraw/zinc/52/84/72/799528472.db2.gz SRMAEKWIDGTGJD-PELKAZGASA-N 1 1 259.271 3.370 20 10 CGCDMO CC/C=C\CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000588475687 799698551 /nfs/dbraw/zinc/69/85/51/799698551.db2.gz DQVKIDYTAUYHIO-PLNGDYQASA-N 1 1 288.435 3.311 20 10 CGCDMO CCc1cccc(C[N@@H+](C[C@@H](C)OC)C(C)C)c1O ZINC000688106174 799745205 /nfs/dbraw/zinc/74/52/05/799745205.db2.gz ODJLLZJHZJPQBG-CYBMUJFWSA-N 1 1 265.397 3.200 20 10 CGCDMO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1cscn1 ZINC000697821811 799849967 /nfs/dbraw/zinc/84/99/67/799849967.db2.gz PDUAVZZJXUJTMI-IUCAKERBSA-N 1 1 266.341 3.400 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCCC(F)(F)CC2)c1 ZINC000702765974 799912924 /nfs/dbraw/zinc/91/29/24/799912924.db2.gz IPYNXEKKUNJQOJ-UHFFFAOYSA-N 1 1 255.308 3.322 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708420994 799989447 /nfs/dbraw/zinc/98/94/47/799989447.db2.gz AFUBFRNWYNDLDP-JTQLQIEISA-N 1 1 255.308 3.292 20 10 CGCDMO C[C@H](Cc1ccsc1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708534853 799991031 /nfs/dbraw/zinc/99/10/31/799991031.db2.gz FHVRFQZOUHMBEZ-SECBINFHSA-N 1 1 283.343 3.453 20 10 CGCDMO CS[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708553406 799992345 /nfs/dbraw/zinc/99/23/45/799992345.db2.gz BVVOFWMCSUHGFS-NEPJUHHUSA-N 1 1 287.375 3.434 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)c1O ZINC000708598794 799992479 /nfs/dbraw/zinc/99/24/79/799992479.db2.gz ADPFYQBGNLGAIE-CYBMUJFWSA-N 1 1 273.298 3.475 20 10 CGCDMO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000708602529 799992580 /nfs/dbraw/zinc/99/25/80/799992580.db2.gz VHALYSPXEWOGGT-GFCCVEGCSA-N 1 1 277.261 3.306 20 10 CGCDMO C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cc(F)ccc1[O-] ZINC000715490037 800136587 /nfs/dbraw/zinc/13/65/87/800136587.db2.gz IEZVMEKANTVSPQ-LMWSTFAQSA-N 1 1 280.387 3.055 20 10 CGCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ncc(Cl)s2)c1 ZINC000719430847 800239913 /nfs/dbraw/zinc/23/99/13/800239913.db2.gz OZPFBLAHMCQWCC-MRVPVSSYSA-N 1 1 298.795 3.362 20 10 CGCDMO C[C@H](Cc1ccccn1)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001256427417 806893908 /nfs/dbraw/zinc/89/39/08/806893908.db2.gz WNGWREDCMHRSMJ-OAHLLOKOSA-N 1 1 283.419 3.211 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1ccc(F)cc1[O-] ZINC001117139602 802436695 /nfs/dbraw/zinc/43/66/95/802436695.db2.gz OHCNBLOHMNLOPY-BBRMVZONSA-N 1 1 294.414 3.304 20 10 CGCDMO C[C@]1(F)CCC[N@H+](Cc2c(O)cccc2F)CC1 ZINC001137831501 803776794 /nfs/dbraw/zinc/77/67/94/803776794.db2.gz BWTUTRZFQGGRBW-AWEZNQCLSA-N 1 1 255.308 3.245 20 10 CGCDMO C[C@]1(F)CCC[N@@H+](Cc2c(O)cccc2F)CC1 ZINC001137831501 803776797 /nfs/dbraw/zinc/77/67/97/803776797.db2.gz BWTUTRZFQGGRBW-AWEZNQCLSA-N 1 1 255.308 3.245 20 10 CGCDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1c([O-])cccc1F ZINC001137840076 803779929 /nfs/dbraw/zinc/77/99/29/803779929.db2.gz RGGVVZZDZBZHSR-GFCCVEGCSA-N 1 1 271.335 3.478 20 10 CGCDMO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1c(O)cccc1F ZINC001137840076 803779932 /nfs/dbraw/zinc/77/99/32/803779932.db2.gz RGGVVZZDZBZHSR-GFCCVEGCSA-N 1 1 271.335 3.478 20 10 CGCDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1c(O)cccc1F ZINC001137840076 803779938 /nfs/dbraw/zinc/77/99/38/803779938.db2.gz RGGVVZZDZBZHSR-GFCCVEGCSA-N 1 1 271.335 3.478 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001137837703 803781573 /nfs/dbraw/zinc/78/15/73/803781573.db2.gz RGALZPADDNBLNL-SECBINFHSA-N 1 1 259.271 3.008 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001137837703 803781579 /nfs/dbraw/zinc/78/15/79/803781579.db2.gz RGALZPADDNBLNL-SECBINFHSA-N 1 1 259.271 3.008 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@H](CO)C2)c(C)n1-c1ccccc1 ZINC001137854486 803785890 /nfs/dbraw/zinc/78/58/90/803785890.db2.gz YMHIYEFKCFAZPL-KRWDZBQOSA-N 1 1 298.430 3.298 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001138122665 803863534 /nfs/dbraw/zinc/86/35/34/803863534.db2.gz SPVXHYWAOXMNHV-NSHDSACASA-N 1 1 277.261 3.101 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001138122665 803863542 /nfs/dbraw/zinc/86/35/42/803863542.db2.gz SPVXHYWAOXMNHV-NSHDSACASA-N 1 1 277.261 3.101 20 10 CGCDMO CC1(C)CCC2(CC[NH+](Cc3cccc(F)c3O)CC2)O1 ZINC001138129420 803864418 /nfs/dbraw/zinc/86/44/18/803864418.db2.gz BXNQDPJAYDUXJY-UHFFFAOYSA-N 1 1 293.382 3.455 20 10 CGCDMO CC(C)[N@@H+](CCCO)Cc1ccc(N2CCCCC2)cc1 ZINC001138220064 803875061 /nfs/dbraw/zinc/87/50/61/803875061.db2.gz YPCWKTQQKLFBAG-UHFFFAOYSA-N 1 1 290.451 3.270 20 10 CGCDMO Cc1c(C[N@H+]2CCC(=O)[C@@H](C)CC2)c2ccccc2n1C ZINC001138252605 803879483 /nfs/dbraw/zinc/87/94/83/803879483.db2.gz NDEWYLBSEUOZSO-ZDUSSCGKSA-N 1 1 284.403 3.288 20 10 CGCDMO Cc1c(C[NH+]2CCN(C(C)C)CC2)c2ccccc2n1C ZINC001138252765 803881274 /nfs/dbraw/zinc/88/12/74/803881274.db2.gz TVOSLQBDAVAACU-UHFFFAOYSA-N 1 1 285.435 3.013 20 10 CGCDMO Cc1c(C[N@@H+](C)C[C@@H]2CCCCO2)c2ccccc2n1C ZINC001138256862 803882741 /nfs/dbraw/zinc/88/27/41/803882741.db2.gz NLNRDSARRWSCCL-HNNXBMFYSA-N 1 1 286.419 3.488 20 10 CGCDMO Cc1c(C[N@H+]2CCCC3(COC3)C2)c2ccccc2n1C ZINC001138253911 803883188 /nfs/dbraw/zinc/88/31/88/803883188.db2.gz KHUSFAJPZWGMJM-UHFFFAOYSA-N 1 1 284.403 3.099 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2c(C)n(C)c3ccccc32)[C@@H](C)C1 ZINC001138260754 803886486 /nfs/dbraw/zinc/88/64/86/803886486.db2.gz RDLGEFOALUJIML-ZFWWWQNUSA-N 1 1 286.419 3.486 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CC[C@H](C(F)(F)F)C3)ccc21 ZINC001138357152 803902598 /nfs/dbraw/zinc/90/25/98/803902598.db2.gz DOEAKWBOIBLZMT-AWEZNQCLSA-N 1 1 298.352 3.453 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CC2CC2)c(OC)c1 ZINC001138388457 803912550 /nfs/dbraw/zinc/91/25/50/803912550.db2.gz VQNOXHQDWPRXMU-UHFFFAOYSA-N 1 1 276.424 3.383 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)Cc1ccncc1Cl ZINC001139847705 804298475 /nfs/dbraw/zinc/29/84/75/804298475.db2.gz LVEHRZJRYLRWRU-UHFFFAOYSA-N 1 1 276.767 3.463 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1ccncc1Cl ZINC001139847705 804298481 /nfs/dbraw/zinc/29/84/81/804298481.db2.gz LVEHRZJRYLRWRU-UHFFFAOYSA-N 1 1 276.767 3.463 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001140054947 804363979 /nfs/dbraw/zinc/36/39/79/804363979.db2.gz AVDQBCLSIHQTKF-MRXNPFEDSA-N 1 1 286.350 3.133 20 10 CGCDMO C[C@@]1(F)CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC001140057671 804365822 /nfs/dbraw/zinc/36/58/22/804365822.db2.gz JNNRJNWSTZPMSR-CQSZACIVSA-N 1 1 255.308 3.245 20 10 CGCDMO C[N@H+](Cc1cc(F)ccc1O)Cc1cccc(F)c1F ZINC001140060195 804366467 /nfs/dbraw/zinc/36/64/67/804366467.db2.gz OVLRDAFVQKOTNF-UHFFFAOYSA-N 1 1 281.277 3.442 20 10 CGCDMO C[N@@H+](Cc1cc(F)ccc1O)Cc1cccc(F)c1F ZINC001140060195 804366474 /nfs/dbraw/zinc/36/64/74/804366474.db2.gz OVLRDAFVQKOTNF-UHFFFAOYSA-N 1 1 281.277 3.442 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@@]3(C2)CC(F)(F)CO3)c1O ZINC001140184216 804397058 /nfs/dbraw/zinc/39/70/58/804397058.db2.gz NOXQTRNJPGLHIT-HNNXBMFYSA-N 1 1 297.345 3.009 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+](C)Cc2ccccc2O)c1O ZINC001140183706 804397186 /nfs/dbraw/zinc/39/71/86/804397186.db2.gz HSORWNNXOZUSJY-UHFFFAOYSA-N 1 1 271.360 3.347 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2c(C)ccc(C)c2O)[C@H](C)C1 ZINC001140184676 804398983 /nfs/dbraw/zinc/39/89/83/804398983.db2.gz DPZIOOBSGZKELS-ZIAGYGMSSA-N 1 1 263.381 3.008 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCC[C@]1(C)O ZINC001140337893 804418164 /nfs/dbraw/zinc/41/81/64/804418164.db2.gz LMYUGBUEHBSYCW-NHYWBVRUSA-N 1 1 283.799 3.029 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001140463079 804441316 /nfs/dbraw/zinc/44/13/16/804441316.db2.gz RWHSMNPTVDSVSP-ABAIWWIYSA-N 1 1 281.783 3.047 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](Oc3cccc(C)n3)C2)c1 ZINC001140624523 804478178 /nfs/dbraw/zinc/47/81/78/804478178.db2.gz ZSVGXKXBEMNWFY-INIZCTEOSA-N 1 1 298.386 3.057 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)CCC(=O)c2cccs2)c1 ZINC001140623693 804478246 /nfs/dbraw/zinc/47/82/46/804478246.db2.gz QEFXVTNSCAVXNZ-UHFFFAOYSA-N 1 1 289.400 3.467 20 10 CGCDMO Cc1c(O)ccc(C[N@@H+](C)Cc2cccc(F)c2)c1O ZINC001140741951 804502666 /nfs/dbraw/zinc/50/26/66/804502666.db2.gz FBEBEQIKKJGVNZ-UHFFFAOYSA-N 1 1 275.323 3.177 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c(Cl)c1 ZINC001140924093 804550987 /nfs/dbraw/zinc/55/09/87/804550987.db2.gz CZYUVPFYOPZQSG-OKILXGFUSA-N 1 1 278.827 3.494 20 10 CGCDMO Cc1ccc(C[N@@H+](Cc2ccccc2)CC(C)(C)O)c(O)c1 ZINC001140957655 804557529 /nfs/dbraw/zinc/55/75/29/804557529.db2.gz HHOIVZILTLSALK-UHFFFAOYSA-N 1 1 299.414 3.474 20 10 CGCDMO C[C@@H]1C[C@H](F)C[N@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074594 804584958 /nfs/dbraw/zinc/58/49/58/804584958.db2.gz NGLFDRVNWCKZKJ-DYVFJYSZSA-N 1 1 288.410 3.318 20 10 CGCDMO CCCCC[N@@H+](C)Cc1ccc2c(c1)OCCN2C ZINC001141139098 804596852 /nfs/dbraw/zinc/59/68/52/804596852.db2.gz IYQVSUZLDKLZPD-UHFFFAOYSA-N 1 1 262.397 3.137 20 10 CGCDMO C[N@@H+](C/C=C/c1ccccc1)Cc1cc(O)ccc1O ZINC001141161236 804601375 /nfs/dbraw/zinc/60/13/75/804601375.db2.gz PSBMHJNEOQIEJQ-VMPITWQZSA-N 1 1 269.344 3.243 20 10 CGCDMO CC[N@@H+](Cc1ccccc1F)Cc1cc(O)ccc1O ZINC001141160911 804602151 /nfs/dbraw/zinc/60/21/51/804602151.db2.gz JIDRDFZSAIIGFB-UHFFFAOYSA-N 1 1 275.323 3.259 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC001141162652 804602174 /nfs/dbraw/zinc/60/21/74/804602174.db2.gz YPGPBZPRIONTPC-CHWSQXEVSA-N 1 1 261.365 3.110 20 10 CGCDMO C[C@@H]1CC(=O)CC[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143104032 804802502 /nfs/dbraw/zinc/80/25/02/804802502.db2.gz OLFAMMKCXUURER-GFCCVEGCSA-N 1 1 275.392 3.243 20 10 CGCDMO C[C@@H]1CC(=O)CC[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143104032 804802507 /nfs/dbraw/zinc/80/25/07/804802507.db2.gz OLFAMMKCXUURER-GFCCVEGCSA-N 1 1 275.392 3.243 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CC[C@H]3OCC[C@H]32)c1O ZINC001143104476 804802605 /nfs/dbraw/zinc/80/26/05/804802605.db2.gz SXJOPPWBVPCYPC-HUUCEWRRSA-N 1 1 275.392 3.053 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)c1O ZINC001143117053 804805026 /nfs/dbraw/zinc/80/50/26/804805026.db2.gz QUVOUHNMUHMUPO-ZIAGYGMSSA-N 1 1 275.392 3.053 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)Cc2ccccc2O)c1 ZINC001143159867 804813316 /nfs/dbraw/zinc/81/33/16/804813316.db2.gz IWRVDGIXGRYBEP-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO CN(C)CC[N@H+](C)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248879610 805029649 /nfs/dbraw/zinc/02/96/49/805029649.db2.gz CBKYLDYIPLACJZ-UHFFFAOYSA-N 1 1 298.858 3.337 20 10 CGCDMO CN(C)CC[N@@H+](C)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248879610 805029659 /nfs/dbraw/zinc/02/96/59/805029659.db2.gz CBKYLDYIPLACJZ-UHFFFAOYSA-N 1 1 298.858 3.337 20 10 CGCDMO CC(=O)C[N@@H+](C)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248881186 805029713 /nfs/dbraw/zinc/02/97/13/805029713.db2.gz SAAQQGJRZQLUDJ-UHFFFAOYSA-N 1 1 283.799 3.364 20 10 CGCDMO CC(=O)C[N@H+](C)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248881186 805029722 /nfs/dbraw/zinc/02/97/22/805029722.db2.gz SAAQQGJRZQLUDJ-UHFFFAOYSA-N 1 1 283.799 3.364 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@H]3C[C@H]32)c(O)cc1Br ZINC001250133658 805435031 /nfs/dbraw/zinc/43/50/31/805435031.db2.gz NPGJVXPDIKDSBR-GXFFZTMASA-N 1 1 296.208 3.447 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167958053 807286596 /nfs/dbraw/zinc/28/65/96/807286596.db2.gz YBDSTJXZSDXVRI-QLPKVWCKSA-N 1 1 258.409 3.373 20 10 CGCDMO CC[C@@H]1C[C@@H]([N@@H+](CC)Cc2ccccc2O)CCO1 ZINC001170235221 807799503 /nfs/dbraw/zinc/79/95/03/807799503.db2.gz KUYJVHGPZPPKIU-LSDHHAIUSA-N 1 1 263.381 3.172 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCOC1CCCCCC1 ZINC001177874851 809828209 /nfs/dbraw/zinc/82/82/09/809828209.db2.gz AIPNDNIOJIPSRP-UHFFFAOYSA-N 1 1 299.361 3.499 20 10 CGCDMO CC(C)C[N@@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC001180170260 809981275 /nfs/dbraw/zinc/98/12/75/809981275.db2.gz NYQYGCHNRYZLJL-UHFFFAOYSA-N 1 1 256.340 3.119 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c1 ZINC001180664763 810017570 /nfs/dbraw/zinc/01/75/70/810017570.db2.gz JDVKNPTVPZZJLP-CXAGYDPISA-N 1 1 298.386 3.379 20 10 CGCDMO Oc1cccc2c1C[C@@H]([NH2+]Cc1ccc(Cl)cc1O)C2 ZINC001180872745 810024846 /nfs/dbraw/zinc/02/48/46/810024846.db2.gz FXBNITVGZXJXCF-ZDUSSCGKSA-N 1 1 289.762 3.008 20 10 CGCDMO CCCC[N@@H+](CCOC1CC1)Cc1ccccc1O ZINC001193838038 810964997 /nfs/dbraw/zinc/96/49/97/810964997.db2.gz DIIBKZSSIAQSAQ-UHFFFAOYSA-N 1 1 263.381 3.173 20 10 CGCDMO Cc1cc(C[N@@H+](C)[C@@H](CO)CC(C)(C)C)ccc1N(C)C ZINC001194383327 811064445 /nfs/dbraw/zinc/06/44/45/811064445.db2.gz BLVXBHNOXWWRRJ-MRXNPFEDSA-N 1 1 292.467 3.290 20 10 CGCDMO CC1(C)CC[N@@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237123272 819672464 /nfs/dbraw/zinc/67/24/64/819672464.db2.gz BFYXJPMYOYRTLP-UHFFFAOYSA-N 1 1 257.736 3.417 20 10 CGCDMO COc1cccc(C[N@@H+](C)CCc2ccc(C)cc2)c1O ZINC001203596546 812404111 /nfs/dbraw/zinc/40/41/11/812404111.db2.gz IHFMKKOQSKQREM-UHFFFAOYSA-N 1 1 285.387 3.384 20 10 CGCDMO COCC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1O ZINC001203657356 812419344 /nfs/dbraw/zinc/41/93/44/812419344.db2.gz JNKORUUJIWXECV-AWEZNQCLSA-N 1 1 283.799 3.437 20 10 CGCDMO Oc1ccc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)cc1O ZINC001203880457 812477913 /nfs/dbraw/zinc/47/79/13/812477913.db2.gz SIHRUEROPIOMSU-AWEZNQCLSA-N 1 1 287.334 3.226 20 10 CGCDMO CC[N@@H+](Cc1ccc(C)cc1)Cc1ccc(O)c(O)c1 ZINC001203881326 812479764 /nfs/dbraw/zinc/47/97/64/812479764.db2.gz OYWZCMSSBZPZID-UHFFFAOYSA-N 1 1 271.360 3.428 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)cc1 ZINC001203931181 812494468 /nfs/dbraw/zinc/49/44/68/812494468.db2.gz OAINJNPBFQDACZ-OKILXGFUSA-N 1 1 280.362 3.230 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H](C(C)C)C2)cc1 ZINC001203941918 812497958 /nfs/dbraw/zinc/49/79/58/812497958.db2.gz GXHSMXPMTLAOIU-GOSISDBHSA-N 1 1 290.451 3.390 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(C)n1 ZINC001204071075 812540880 /nfs/dbraw/zinc/54/08/80/812540880.db2.gz QTBDBIODMYBUMC-UHFFFAOYSA-N 1 1 283.419 3.478 20 10 CGCDMO Oc1ccc(C[N@H+]2CCCC3(CCCC3)C2)c(O)c1 ZINC001204275770 812594074 /nfs/dbraw/zinc/59/40/74/812594074.db2.gz AQKCODSBMBIEIU-UHFFFAOYSA-N 1 1 261.365 3.254 20 10 CGCDMO CC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204322234 812612986 /nfs/dbraw/zinc/61/29/86/812612986.db2.gz QCHZNHOWVKPOJN-QGZVFWFLSA-N 1 1 286.419 3.088 20 10 CGCDMO CSCC[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001204328930 812613895 /nfs/dbraw/zinc/61/38/95/812613895.db2.gz UMGAGPWPWZTZJC-UHFFFAOYSA-N 1 1 264.438 3.082 20 10 CGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001204328599 812614736 /nfs/dbraw/zinc/61/47/36/812614736.db2.gz KETRQZGPAFDFCU-WBVHZDCISA-N 1 1 256.393 3.271 20 10 CGCDMO CC(C)O[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204328273 812615045 /nfs/dbraw/zinc/61/50/45/812615045.db2.gz FSRBPQDKWPSFQL-SFHVURJKSA-N 1 1 288.435 3.286 20 10 CGCDMO COc1cc(C[N@@H+](Cc2ccccc2)C2CC2)cc(O)c1O ZINC001204346729 812618290 /nfs/dbraw/zinc/61/82/90/812618290.db2.gz XFYDDBIAGQJVTK-UHFFFAOYSA-N 1 1 299.370 3.271 20 10 CGCDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2ccc(C)cc2O)C1(C)C ZINC001204359002 812620513 /nfs/dbraw/zinc/62/05/13/812620513.db2.gz NYRWXWMLCCOHTH-NVXWUHKLSA-N 1 1 277.408 3.336 20 10 CGCDMO CC[C@@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)C[C@@H](C)O1 ZINC001204899891 812769042 /nfs/dbraw/zinc/76/90/42/812769042.db2.gz UMFPWBOIJLGSIK-DGCLKSJQSA-N 1 1 283.799 3.353 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2O)C[C@@H](C)O1 ZINC001204899891 812769045 /nfs/dbraw/zinc/76/90/45/812769045.db2.gz UMFPWBOIJLGSIK-DGCLKSJQSA-N 1 1 283.799 3.353 20 10 CGCDMO CCn1ccc(C[N@H+](C)Cc2cc(F)c(F)cc2O)c1 ZINC001205408884 812980188 /nfs/dbraw/zinc/98/01/88/812980188.db2.gz DFNJCFHGSNTJFC-UHFFFAOYSA-N 1 1 280.318 3.124 20 10 CGCDMO CCn1ccc(C[N@@H+](C)Cc2cc(F)c(F)cc2O)c1 ZINC001205408884 812980193 /nfs/dbraw/zinc/98/01/93/812980193.db2.gz DFNJCFHGSNTJFC-UHFFFAOYSA-N 1 1 280.318 3.124 20 10 CGCDMO CCn1cc(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001205538975 812997070 /nfs/dbraw/zinc/99/70/70/812997070.db2.gz ZMWJASRVTXVSET-UHFFFAOYSA-N 1 1 298.434 3.135 20 10 CGCDMO Cc1cc(O)c(C[NH2+]Cc2c(O)cccc2F)cc1Cl ZINC001207621305 813616735 /nfs/dbraw/zinc/61/67/35/813616735.db2.gz DQYQPCLXTABHMB-UHFFFAOYSA-N 1 1 295.741 3.489 20 10 CGCDMO CC(C)[C@H]1CCC[C@H]1[NH2+]Cc1c(O)cccc1F ZINC001207621332 813618726 /nfs/dbraw/zinc/61/87/26/813618726.db2.gz FMQXDOOKJQBMAO-BXUZGUMPSA-N 1 1 251.345 3.446 20 10 CGCDMO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1cc(F)ccc1O ZINC001207732463 813641817 /nfs/dbraw/zinc/64/18/17/813641817.db2.gz KJGDXDFCQGCXNP-UHFFFAOYSA-N 1 1 297.370 3.085 20 10 CGCDMO [NH3+][C@@H](CC1CC1)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217713929 815948170 /nfs/dbraw/zinc/94/81/70/815948170.db2.gz GEGQVJIHSVUJQQ-HNNXBMFYSA-N 1 1 294.358 3.327 20 10 CGCDMO Cn1cncc1-c1[nH+]ccc2c1ccn2Cc1ccccc1 ZINC001243064703 823233556 /nfs/dbraw/zinc/23/35/56/823233556.db2.gz HSFRZHUYYGSHDT-UHFFFAOYSA-N 1 1 288.354 3.485 20 10 CGCDMO CC(C)N1CC[N@@H+](Cc2c(O)ccc3ccccc32)C[C@@H]1C ZINC001231589752 818130090 /nfs/dbraw/zinc/13/00/90/818130090.db2.gz PPWIACKJUXQPOI-HNNXBMFYSA-N 1 1 298.430 3.460 20 10 CGCDMO Cc1cccc(C[N@H+]2CCOC[C@H]2C2CCCCC2)c1O ZINC001231594414 818132409 /nfs/dbraw/zinc/13/24/09/818132409.db2.gz GPRGVWHGEATIMO-KRWDZBQOSA-N 1 1 289.419 3.482 20 10 CGCDMO Cc1ccn2cc(C[N@H+](C)Cc3cccc(C)c3O)nc2c1 ZINC001231595206 818134215 /nfs/dbraw/zinc/13/42/15/818134215.db2.gz QRVREJDXKKUVTQ-UHFFFAOYSA-N 1 1 295.386 3.289 20 10 CGCDMO CC[N@@H+](Cc1ccc(COC)o1)Cc1ccccc1O ZINC001231693474 818158491 /nfs/dbraw/zinc/15/84/91/818158491.db2.gz MEBOXFNEJZQYOL-UHFFFAOYSA-N 1 1 275.348 3.154 20 10 CGCDMO Cc1cc(C)c(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)c(O)c1 ZINC001231842548 818186337 /nfs/dbraw/zinc/18/63/37/818186337.db2.gz OCCCRPDLFNSIRR-YPMHNXCESA-N 1 1 267.319 3.096 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCC[C@H](C(F)F)C2)c(O)c1 ZINC001231846070 818187216 /nfs/dbraw/zinc/18/72/16/818187216.db2.gz FDVGXAKVHGOSPF-LBPRGKRZSA-N 1 1 269.335 3.486 20 10 CGCDMO CC[N@H+](CC(=O)OC(C)(C)C)Cc1c(C)cc(C)cc1O ZINC001231846436 818187246 /nfs/dbraw/zinc/18/72/46/818187246.db2.gz LXIJVOKMFKQQSV-UHFFFAOYSA-N 1 1 293.407 3.173 20 10 CGCDMO CC[N@@H+](CC(=O)OC(C)(C)C)Cc1c(C)cc(C)cc1O ZINC001231846436 818187249 /nfs/dbraw/zinc/18/72/49/818187249.db2.gz LXIJVOKMFKQQSV-UHFFFAOYSA-N 1 1 293.407 3.173 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@@H]1C ZINC001231848549 818187317 /nfs/dbraw/zinc/18/73/17/818187317.db2.gz IGERCQFHSHSFRU-ZDUSSCGKSA-N 1 1 262.397 3.136 20 10 CGCDMO Cc1nc2c(s1)C[N@@H+](Cc1c(C)cc(C)cc1O)CC2 ZINC001231846813 818187882 /nfs/dbraw/zinc/18/78/82/818187882.db2.gz PXHYVHURZNHRFX-UHFFFAOYSA-N 1 1 288.416 3.332 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001231854036 818188387 /nfs/dbraw/zinc/18/83/87/818188387.db2.gz WNSIXIXWTFSVGG-ZDUSSCGKSA-N 1 1 298.377 3.238 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001231854035 818188681 /nfs/dbraw/zinc/18/86/81/818188681.db2.gz WNSIXIXWTFSVGG-CYBMUJFWSA-N 1 1 298.377 3.238 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1Cl ZINC001231867016 818191795 /nfs/dbraw/zinc/19/17/95/818191795.db2.gz GNGFRWYJCZXYBC-XHVZSJERSA-N 1 1 269.747 3.144 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1Cl ZINC001231867014 818192418 /nfs/dbraw/zinc/19/24/18/818192418.db2.gz GNGFRWYJCZXYBC-GAFUQQFSSA-N 1 1 269.747 3.144 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@@](C)(O)CC2)cc1Cl ZINC001231869315 818193908 /nfs/dbraw/zinc/19/39/08/818193908.db2.gz QGFAPPQDSLFXJG-LRDDRELGSA-N 1 1 297.826 3.337 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCCC(=O)[C@@H](C)C2)cc1Cl ZINC001231869750 818194228 /nfs/dbraw/zinc/19/42/28/818194228.db2.gz XNMIESXSIZRASM-NSHDSACASA-N 1 1 281.783 3.155 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCCC(=O)[C@@H](C)C2)cc1Cl ZINC001231869750 818194231 /nfs/dbraw/zinc/19/42/31/818194231.db2.gz XNMIESXSIZRASM-NSHDSACASA-N 1 1 281.783 3.155 20 10 CGCDMO C[C@@]1(O)CCCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231879529 818198920 /nfs/dbraw/zinc/19/89/20/818198920.db2.gz HDUQNBHCCZLJRF-GOSISDBHSA-N 1 1 285.387 3.282 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232261271 818295591 /nfs/dbraw/zinc/29/55/91/818295591.db2.gz YDYVPXFDLYPPGS-SNVBAGLBSA-N 1 1 269.772 3.373 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(O)cc2O)[C@H]1C ZINC001232267541 818298528 /nfs/dbraw/zinc/29/85/28/818298528.db2.gz ISZOZXBIWWBROT-ZJUUUORDSA-N 1 1 269.772 3.372 20 10 CGCDMO CCc1csc(C[N@H+](C)Cc2ccccc2O)n1 ZINC001232474227 818363181 /nfs/dbraw/zinc/36/31/81/818363181.db2.gz SNHYEZGNMUKNBG-UHFFFAOYSA-N 1 1 262.378 3.043 20 10 CGCDMO CCc1csc(C[N@@H+](C)Cc2ccccc2O)n1 ZINC001232474227 818363186 /nfs/dbraw/zinc/36/31/86/818363186.db2.gz SNHYEZGNMUKNBG-UHFFFAOYSA-N 1 1 262.378 3.043 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC23CCCCC3)c(O)c1 ZINC001232835298 818452062 /nfs/dbraw/zinc/45/20/62/818452062.db2.gz ABNGWBWPSKHUIR-UHFFFAOYSA-N 1 1 274.408 3.367 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c(O)c1 ZINC001232840028 818453571 /nfs/dbraw/zinc/45/35/71/818453571.db2.gz KKPWAFQAOOARKD-BBRMVZONSA-N 1 1 274.408 3.223 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@@H](CCO)C2)c1 ZINC001233286503 818568250 /nfs/dbraw/zinc/56/82/50/818568250.db2.gz WSVYLOHKGGUHHL-AWEZNQCLSA-N 1 1 291.435 3.284 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2O)CCCO1 ZINC001233415782 818613251 /nfs/dbraw/zinc/61/32/51/818613251.db2.gz IQJPSXPZRJWLBX-SNVBAGLBSA-N 1 1 289.297 3.022 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2O)CCCO1 ZINC001233415782 818613253 /nfs/dbraw/zinc/61/32/53/818613253.db2.gz IQJPSXPZRJWLBX-SNVBAGLBSA-N 1 1 289.297 3.022 20 10 CGCDMO C[N@H+](Cc1ccccn1)Cc1cccc(C(F)(F)F)c1O ZINC001233416182 818615303 /nfs/dbraw/zinc/61/53/03/818615303.db2.gz YSFICUCAHOJGEY-UHFFFAOYSA-N 1 1 296.292 3.438 20 10 CGCDMO C[N@@H+](Cc1ccccn1)Cc1cccc(C(F)(F)F)c1O ZINC001233416182 818615304 /nfs/dbraw/zinc/61/53/04/818615304.db2.gz YSFICUCAHOJGEY-UHFFFAOYSA-N 1 1 296.292 3.438 20 10 CGCDMO Oc1c(Cl)cccc1CN1CCCC[C@]12CCC[NH2+]C2 ZINC001235181087 819026346 /nfs/dbraw/zinc/02/63/46/819026346.db2.gz XUBUVHXKSMLOTJ-MRXNPFEDSA-N 1 1 294.826 3.154 20 10 CGCDMO C[C@H]1C[C@H](O)CC[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235677138 819136553 /nfs/dbraw/zinc/13/65/53/819136553.db2.gz BRTRPYNPQWYBNE-SWLSCSKDSA-N 1 1 277.408 3.035 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CCOC[C@H]2C2CC2)c(O)c1 ZINC001235677758 819138843 /nfs/dbraw/zinc/13/88/43/819138843.db2.gz HLCFBYVNDNSXTD-INIZCTEOSA-N 1 1 289.419 3.301 20 10 CGCDMO C[N@H+](CCC1CC[NH2+]CC1)Cc1c([O-])ccc2ccccc21 ZINC001235716759 819150358 /nfs/dbraw/zinc/15/03/58/819150358.db2.gz KBEIWZLBTWIRSD-UHFFFAOYSA-N 1 1 298.430 3.367 20 10 CGCDMO C[N@@H+](CCC1CC[NH2+]CC1)Cc1c([O-])ccc2ccccc21 ZINC001235716759 819150362 /nfs/dbraw/zinc/15/03/62/819150362.db2.gz KBEIWZLBTWIRSD-UHFFFAOYSA-N 1 1 298.430 3.367 20 10 CGCDMO COc1nccc(C[N@H+](C)Cc2ccccc2O)c1Cl ZINC001235839334 819181789 /nfs/dbraw/zinc/18/17/89/819181789.db2.gz KZIBGIPTCYFPPU-UHFFFAOYSA-N 1 1 292.766 3.081 20 10 CGCDMO COc1nccc(C[N@@H+](C)Cc2ccccc2O)c1Cl ZINC001235839334 819181793 /nfs/dbraw/zinc/18/17/93/819181793.db2.gz KZIBGIPTCYFPPU-UHFFFAOYSA-N 1 1 292.766 3.081 20 10 CGCDMO CC(C)C[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCN1 ZINC001235881159 819195011 /nfs/dbraw/zinc/19/50/11/819195011.db2.gz BRLJPROFBHYZOQ-KRWDZBQOSA-N 1 1 298.430 3.365 20 10 CGCDMO CC(C)C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CCN1 ZINC001235881159 819195013 /nfs/dbraw/zinc/19/50/13/819195013.db2.gz BRLJPROFBHYZOQ-KRWDZBQOSA-N 1 1 298.430 3.365 20 10 CGCDMO CC(C)c1ccc(CN(C)[C@@H]2CCCC[C@@H]2[NH3+])c(O)c1 ZINC001236219220 819386147 /nfs/dbraw/zinc/38/61/47/819386147.db2.gz USHJFGABQXOEIQ-JKSUJKDBSA-N 1 1 276.424 3.217 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H]3C[C@H]32)c1 ZINC001236671751 819567816 /nfs/dbraw/zinc/56/78/16/819567816.db2.gz XVACNRZQWGAJIE-GXFFZTMASA-N 1 1 296.208 3.447 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H]3C[C@H]32)c1 ZINC001236671751 819567824 /nfs/dbraw/zinc/56/78/24/819567824.db2.gz XVACNRZQWGAJIE-GXFFZTMASA-N 1 1 296.208 3.447 20 10 CGCDMO CCc1ccc(C[N@H+]2CCC[C@@H]2CN2CCCC2)c(O)c1 ZINC001236793883 819596452 /nfs/dbraw/zinc/59/64/52/819596452.db2.gz GVWWIXRSVIWMJB-QGZVFWFLSA-N 1 1 288.435 3.015 20 10 CGCDMO CCc1ccc(CN2CCC[C@@H]2C[NH+]2CCCC2)c(O)c1 ZINC001236793883 819596457 /nfs/dbraw/zinc/59/64/57/819596457.db2.gz GVWWIXRSVIWMJB-QGZVFWFLSA-N 1 1 288.435 3.015 20 10 CGCDMO COc1cc(O)c(C[N@@H+]2CCC[C@@](C)(F)C2)c(Cl)c1 ZINC001236797181 819596691 /nfs/dbraw/zinc/59/66/91/819596691.db2.gz CNJWGXAHDNOHHX-CQSZACIVSA-N 1 1 287.762 3.378 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@](C)(F)C2)c(Cl)c1 ZINC001236797181 819596695 /nfs/dbraw/zinc/59/66/95/819596695.db2.gz CNJWGXAHDNOHHX-CQSZACIVSA-N 1 1 287.762 3.378 20 10 CGCDMO COc1cc(O)c(C[N@@H+]2CCCC[C@H](F)C2)c(Cl)c1 ZINC001236797485 819598202 /nfs/dbraw/zinc/59/82/02/819598202.db2.gz FOUBDQOFSCCJTN-JTQLQIEISA-N 1 1 287.762 3.378 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCCC[C@H](F)C2)c(Cl)c1 ZINC001236797485 819598206 /nfs/dbraw/zinc/59/82/06/819598206.db2.gz FOUBDQOFSCCJTN-JTQLQIEISA-N 1 1 287.762 3.378 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)C[C@@H]2CCCCO2)c(Cl)c1 ZINC001236797814 819599323 /nfs/dbraw/zinc/59/93/23/819599323.db2.gz AWMYPTVPDLWJCP-NSHDSACASA-N 1 1 299.798 3.055 20 10 CGCDMO COc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H]2C3)c(Cl)c1 ZINC001236803925 819602380 /nfs/dbraw/zinc/60/23/80/819602380.db2.gz QFGYNBHHQKBTGW-VHSXEESVSA-N 1 1 267.756 3.039 20 10 CGCDMO CCCO[C@H]1CC[N@H+](Cc2ccc(OC)c(Cl)c2O)C1 ZINC001236813138 819605122 /nfs/dbraw/zinc/60/51/22/819605122.db2.gz KAKQOSBWUUEDGR-LBPRGKRZSA-N 1 1 299.798 3.055 20 10 CGCDMO CCCO[C@H]1CC[N@@H+](Cc2ccc(OC)c(Cl)c2O)C1 ZINC001236813138 819605125 /nfs/dbraw/zinc/60/51/25/819605125.db2.gz KAKQOSBWUUEDGR-LBPRGKRZSA-N 1 1 299.798 3.055 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc3ccccc3cc2O)CC[C@@]1(C)O ZINC001236825698 819608320 /nfs/dbraw/zinc/60/83/20/819608320.db2.gz CMJHYLNPASBJNK-SCLBCKFNSA-N 1 1 285.387 3.138 20 10 CGCDMO Cc1ncc2n1CC[N@@H+](Cc1cc3ccccc3cc1O)C2 ZINC001236828623 819609870 /nfs/dbraw/zinc/60/98/70/819609870.db2.gz DSTCEPFNYODTEI-UHFFFAOYSA-N 1 1 293.370 3.066 20 10 CGCDMO Cc1ncc2n1CC[N@H+](Cc1cc3ccccc3cc1O)C2 ZINC001236828623 819609874 /nfs/dbraw/zinc/60/98/74/819609874.db2.gz DSTCEPFNYODTEI-UHFFFAOYSA-N 1 1 293.370 3.066 20 10 CGCDMO COc1cc(C[N@@H+](C)Cc2ccccc2O)c(F)cc1F ZINC001236831116 819611943 /nfs/dbraw/zinc/61/19/43/819611943.db2.gz NKNONDSLSRHPLX-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO CC(=O)[C@@H]1CCCC[N@H+]1Cc1cc2ccccc2cc1O ZINC001236837013 819616215 /nfs/dbraw/zinc/61/62/15/819616215.db2.gz MALYHHLMIGAVGV-KRWDZBQOSA-N 1 1 283.371 3.489 20 10 CGCDMO CCN(CC)CC[N@H+](C)Cc1cc2ccccc2cc1O ZINC001236839657 819616862 /nfs/dbraw/zinc/61/68/62/819616862.db2.gz KSSAETKALPVPBT-UHFFFAOYSA-N 1 1 286.419 3.319 20 10 CGCDMO CCN(CC)CC[N@@H+](C)Cc1cc2ccccc2cc1O ZINC001236839657 819616865 /nfs/dbraw/zinc/61/68/65/819616865.db2.gz KSSAETKALPVPBT-UHFFFAOYSA-N 1 1 286.419 3.319 20 10 CGCDMO CCC[N@H+](Cc1ccc(C(C)C)cc1O)C[C@H]1CC[NH2+]C1 ZINC001236841955 819618277 /nfs/dbraw/zinc/61/82/77/819618277.db2.gz BFDCMFACTBBLRP-HNNXBMFYSA-N 1 1 290.451 3.337 20 10 CGCDMO CCC[N@@H+](Cc1ccc(C(C)C)cc1[O-])C[C@H]1CC[NH2+]C1 ZINC001236841955 819618281 /nfs/dbraw/zinc/61/82/81/819618281.db2.gz BFDCMFACTBBLRP-HNNXBMFYSA-N 1 1 290.451 3.337 20 10 CGCDMO CCC[N@H+](Cc1ccc(C(C)C)cc1[O-])C[C@H]1CC[NH2+]C1 ZINC001236841955 819618282 /nfs/dbraw/zinc/61/82/82/819618282.db2.gz BFDCMFACTBBLRP-HNNXBMFYSA-N 1 1 290.451 3.337 20 10 CGCDMO CCC[N@H+](Cc1ccc(C(C)C)cc1O)C[C@@H]1CC[NH2+]C1 ZINC001236841956 819619282 /nfs/dbraw/zinc/61/92/82/819619282.db2.gz BFDCMFACTBBLRP-OAHLLOKOSA-N 1 1 290.451 3.337 20 10 CGCDMO CCC[N@@H+](Cc1ccc(C(C)C)cc1[O-])C[C@@H]1CC[NH2+]C1 ZINC001236841956 819619283 /nfs/dbraw/zinc/61/92/83/819619283.db2.gz BFDCMFACTBBLRP-OAHLLOKOSA-N 1 1 290.451 3.337 20 10 CGCDMO CCC[N@H+](Cc1ccc(C(C)C)cc1[O-])C[C@@H]1CC[NH2+]C1 ZINC001236841956 819619284 /nfs/dbraw/zinc/61/92/84/819619284.db2.gz BFDCMFACTBBLRP-OAHLLOKOSA-N 1 1 290.451 3.337 20 10 CGCDMO Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc(N)cc3)C2)n1 ZINC001236849352 819620728 /nfs/dbraw/zinc/62/07/28/819620728.db2.gz WCRNTWPQCAZPCX-KRWDZBQOSA-N 1 1 297.402 3.016 20 10 CGCDMO CC[N@@H+](Cc1ccc(N2CCOCC2)cc1Cl)C(C)C ZINC001236929637 819638294 /nfs/dbraw/zinc/63/82/94/819638294.db2.gz RKYIEWKASVZXBC-UHFFFAOYSA-N 1 1 296.842 3.407 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CO)c(O)c1 ZINC001237046179 819650524 /nfs/dbraw/zinc/65/05/24/819650524.db2.gz RASTYKPKKPKCDJ-BBRMVZONSA-N 1 1 277.408 3.108 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c(O)c1 ZINC001237056003 819653681 /nfs/dbraw/zinc/65/36/81/819653681.db2.gz UKSUGJHQFQCSMW-DOTOQJQBSA-N 1 1 275.392 3.126 20 10 CGCDMO CC(C)c1ccc(C[N@@H+]2CC[C@@H](N3CCCC3)C2)c(O)c1 ZINC001237053521 819655074 /nfs/dbraw/zinc/65/50/74/819655074.db2.gz LZTPRJYMBGBXBH-QGZVFWFLSA-N 1 1 288.435 3.186 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](N3CCCC3)C2)c(O)c1 ZINC001237053521 819655077 /nfs/dbraw/zinc/65/50/77/819655077.db2.gz LZTPRJYMBGBXBH-QGZVFWFLSA-N 1 1 288.435 3.186 20 10 CGCDMO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1c(O)ccc(Cl)c1Cl ZINC001237084822 819663615 /nfs/dbraw/zinc/66/36/15/819663615.db2.gz OAJHCQQAZIRYRA-DTWKUNHWSA-N 1 1 290.190 3.044 20 10 CGCDMO C[C@H]1C[C@H](O)CC[N@H+]1Cc1c(O)ccc(Cl)c1Cl ZINC001237084822 819663619 /nfs/dbraw/zinc/66/36/19/819663619.db2.gz OAJHCQQAZIRYRA-DTWKUNHWSA-N 1 1 290.190 3.044 20 10 CGCDMO C[N@@H+](CCc1cccnc1)Cc1c(O)ccc(F)c1Cl ZINC001237126680 819673228 /nfs/dbraw/zinc/67/32/28/819673228.db2.gz OOWLAPVSXWSIAH-UHFFFAOYSA-N 1 1 294.757 3.254 20 10 CGCDMO C[N@@H+](CCc1ccncc1)Cc1c(O)ccc(F)c1Cl ZINC001237127198 819673699 /nfs/dbraw/zinc/67/36/99/819673699.db2.gz WFTZDPCZULABKV-UHFFFAOYSA-N 1 1 294.757 3.254 20 10 CGCDMO Oc1ccc(F)c(Cl)c1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001237127222 819673776 /nfs/dbraw/zinc/67/37/76/819673776.db2.gz WWMDCFASKUZOOS-LBPRGKRZSA-N 1 1 291.700 3.416 20 10 CGCDMO COc1cccc2c1C[N@@H+](Cc1c(C)cccc1O)CC2 ZINC001237481647 819760350 /nfs/dbraw/zinc/76/03/50/819760350.db2.gz GRAIQIBHBOJZNU-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H]1COCc1ccccc1 ZINC001237489002 819761846 /nfs/dbraw/zinc/76/18/46/819761846.db2.gz BLFSTSUBSGZHNI-QGZVFWFLSA-N 1 1 297.398 3.492 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1c(C)cccc1O ZINC001237489439 819761922 /nfs/dbraw/zinc/76/19/22/819761922.db2.gz AWMAWWDYCIPZKM-UHFFFAOYSA-N 1 1 271.360 3.428 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC001237489102 819762373 /nfs/dbraw/zinc/76/23/73/819762373.db2.gz FIVLEJCNCLVRFU-AWEZNQCLSA-N 1 1 291.391 3.007 20 10 CGCDMO COc1cccc2c1CC[N@@H+](Cc1c(C)cccc1O)C2 ZINC001237493333 819764758 /nfs/dbraw/zinc/76/47/58/819764758.db2.gz XJWSWRFRNGAOMN-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+](C)Cc1ccccc1F ZINC001237490397 819764898 /nfs/dbraw/zinc/76/48/98/819764898.db2.gz ULZZGOVMKSHMMR-UHFFFAOYSA-N 1 1 259.324 3.472 20 10 CGCDMO COC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC001237682158 819805618 /nfs/dbraw/zinc/80/56/18/819805618.db2.gz ZRJVFFZXGVYRGS-AWEZNQCLSA-N 1 1 283.799 3.355 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC3(CC3)C2)c1O ZINC001237680448 819807318 /nfs/dbraw/zinc/80/73/18/819807318.db2.gz SHRMWMGIFHGECV-UHFFFAOYSA-N 1 1 251.757 3.340 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC001237933634 819883608 /nfs/dbraw/zinc/88/36/08/819883608.db2.gz FHDODKNBKUJDSX-OAHLLOKOSA-N 1 1 299.773 3.187 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC001237933634 819883622 /nfs/dbraw/zinc/88/36/22/819883622.db2.gz FHDODKNBKUJDSX-OAHLLOKOSA-N 1 1 299.773 3.187 20 10 CGCDMO Cc1cc(F)cc(C[N@@H+]2CCCC(F)(F)[C@@H](F)C2)c1O ZINC001238061271 819920337 /nfs/dbraw/zinc/92/03/37/819920337.db2.gz LBJCYJKNFOVNAJ-LBPRGKRZSA-N 1 1 291.288 3.409 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CCCC(F)(F)[C@@H](F)C2)c1O ZINC001238061271 819920343 /nfs/dbraw/zinc/92/03/43/819920343.db2.gz LBJCYJKNFOVNAJ-LBPRGKRZSA-N 1 1 291.288 3.409 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c1O ZINC001238062800 819920979 /nfs/dbraw/zinc/92/09/79/819920979.db2.gz RPYWSLBMNRGNQF-CQSZACIVSA-N 1 1 286.350 3.224 20 10 CGCDMO Cc1cc(F)cc(C[N@H+](CC2CC2)C(C)C)c1O ZINC001238062439 819921622 /nfs/dbraw/zinc/92/16/22/819921622.db2.gz PUHSYWJJHBFJLF-UHFFFAOYSA-N 1 1 251.345 3.460 20 10 CGCDMO Cc1[nH+]ccn1-c1cncc(-c2ccc3ccn(C)c3c2)n1 ZINC001240572346 821158697 /nfs/dbraw/zinc/15/86/97/821158697.db2.gz UJOWHZVWNFHCQG-UHFFFAOYSA-N 1 1 289.342 3.129 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@H](CO)C(C)(C)C ZINC001341569693 936442574 /nfs/dbraw/zinc/44/25/74/936442574.db2.gz TVUDCDSFNCQYJM-QGZVFWFLSA-N 1 1 290.451 3.126 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)[C@@H](C)CO1 ZINC001349536130 936951439 /nfs/dbraw/zinc/95/14/39/936951439.db2.gz UQGLPTGBXBRNTG-MAUKXSAKSA-N 1 1 288.435 3.286 20 10 CGCDMO C[N@@H+](CCCOCc1ccccc1)Cc1ccccc1O ZINC000182520817 926923332 /nfs/dbraw/zinc/92/33/32/926923332.db2.gz RVAFLBGVGQADIW-UHFFFAOYSA-N 1 1 285.387 3.431 20 10 CGCDMO Oc1ccc(Cl)cc1C[NH2+]Cc1cc(F)c(F)cc1O ZINC001474608988 937207373 /nfs/dbraw/zinc/20/73/73/937207373.db2.gz MJKLISPBEOUUBA-UHFFFAOYSA-N 1 1 299.704 3.319 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@H](N3CCCCC3)C2)c1O ZINC001140178948 931957392 /nfs/dbraw/zinc/95/73/92/931957392.db2.gz DMEUEBRTGIRZAW-INIZCTEOSA-N 1 1 288.435 3.069 20 10 CGCDMO Cc1ccc(C)c(CN2CC[C@H]([NH+]3CCCCC3)C2)c1O ZINC001140178948 931957400 /nfs/dbraw/zinc/95/74/00/931957400.db2.gz DMEUEBRTGIRZAW-INIZCTEOSA-N 1 1 288.435 3.069 20 10 CGCDMO C=C/C=C/CC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC001461722581 937592770 /nfs/dbraw/zinc/59/27/70/937592770.db2.gz OFHUFZAJORWVMF-ONEGZZNKSA-N 1 1 255.720 3.407 20 10 CGCDMO CCC[N@H+](CC)C[C@@H](C)NCc1ccc(N(C)C)cc1C ZINC001462289968 937630353 /nfs/dbraw/zinc/63/03/53/937630353.db2.gz CGHHDOMECSYHHP-MRXNPFEDSA-N 1 1 291.483 3.271 20 10 CGCDMO CCC[N@@H+](CC)C[C@@H](C)NCc1ccc(N(C)C)cc1C ZINC001462289968 937630356 /nfs/dbraw/zinc/63/03/56/937630356.db2.gz CGHHDOMECSYHHP-MRXNPFEDSA-N 1 1 291.483 3.271 20 10 CGCDMO CCC[N@@H+](Cc1cc(C)cc(OC)c1O)C(C)C ZINC001462388656 937637394 /nfs/dbraw/zinc/63/73/94/937637394.db2.gz UGJAPDOYPFVNTE-UHFFFAOYSA-N 1 1 251.370 3.330 20 10 CGCDMO CCC[N@@H+](Cc1cc(C(C)C)ccc1O)CC(C)(C)O ZINC001308614132 933143019 /nfs/dbraw/zinc/14/30/19/933143019.db2.gz VNLHEJBSTYHXJM-UHFFFAOYSA-N 1 1 279.424 3.499 20 10 CGCDMO C[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(F)c(F)cc1O ZINC001308716147 933164410 /nfs/dbraw/zinc/16/44/10/933164410.db2.gz QFLHFXTUIOUVNE-ZJUUUORDSA-N 1 1 255.308 3.196 20 10 CGCDMO C[C@]1(C2CC2)C[N@@H+](Cc2ccc(Cl)cc2O)CCO1 ZINC001308858374 933191527 /nfs/dbraw/zinc/19/15/27/933191527.db2.gz UVKUXSBQEKGZBF-OAHLLOKOSA-N 1 1 281.783 3.047 20 10 CGCDMO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC001320485533 934053641 /nfs/dbraw/zinc/05/36/41/934053641.db2.gz GHGCPNKPMFJJSW-GOSISDBHSA-N 1 1 295.382 3.016 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+](C)CCC(F)(F)F)c1 ZINC001324409927 934498269 /nfs/dbraw/zinc/49/82/69/934498269.db2.gz UWQPPZGJKHNGPP-UHFFFAOYSA-N 1 1 261.287 3.393 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](CF)C1)CCC2 ZINC001331478784 935383648 /nfs/dbraw/zinc/38/36/48/935383648.db2.gz SVPDIXWZFCJUQM-LBPRGKRZSA-N 1 1 263.356 3.062 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H](CF)C2)c1 ZINC001331479449 935384216 /nfs/dbraw/zinc/38/42/16/935384216.db2.gz ZVJKRBGJHIZMMN-CYBMUJFWSA-N 1 1 251.345 3.191 20 10 CGCDMO CCCO[C@H]1CCC[N@@H+](Cc2ccc(N)cc2)CC1 ZINC001335286397 936137049 /nfs/dbraw/zinc/13/70/49/936137049.db2.gz YPBRHRUUHHXLQV-INIZCTEOSA-N 1 1 262.397 3.050 20 10 CGCDMO CC[N@H+](Cc1ccc(N)cc1)C[C@@H](O)c1ccc(C)cc1 ZINC001336116591 936176015 /nfs/dbraw/zinc/17/60/15/936176015.db2.gz GQTJAMLXGJRGGA-GOSISDBHSA-N 1 1 284.403 3.133 20 10 CGCDMO Cc1cc(F)cc2c1C[N@@H+](Cc1ccc(N)cc1)CC2 ZINC001336285212 936186326 /nfs/dbraw/zinc/18/63/26/936186326.db2.gz JEZRLGGDYWDHNL-UHFFFAOYSA-N 1 1 270.351 3.275 20 10 CGCDMO OC[C@H](CC1CCCCC1)[NH2+]Cc1cc(F)cc(F)c1O ZINC001560510186 938260951 /nfs/dbraw/zinc/26/09/51/938260951.db2.gz IZRYNPBBEUPAHH-AWEZNQCLSA-N 1 1 299.361 3.091 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@H]3[C@@H](C2)C3(F)F)c1O ZINC001560877660 938281473 /nfs/dbraw/zinc/28/14/73/938281473.db2.gz ZNHBHBVDBPAKDQ-QWHCGFSZSA-N 1 1 267.319 3.042 20 10 CGCDMO CCC[N@@H+](CCn1nc(C)cc1C)Cc1ccccc1O ZINC000068819714 345365163 /nfs/dbraw/zinc/36/51/63/345365163.db2.gz SHDIQEKGFAAGEX-UHFFFAOYSA-N 1 1 287.407 3.118 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)CN1CCCCC1)c1ccc(F)cc1O ZINC000062747590 296146524 /nfs/dbraw/zinc/14/65/24/296146524.db2.gz XRHAAGIZRIFOOR-QWHCGFSZSA-N 1 1 280.387 3.056 20 10 CGCDMO CSCCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293724124 372460411 /nfs/dbraw/zinc/46/04/11/372460411.db2.gz VUYCYGIMKGQNGS-UHFFFAOYSA-N 1 1 263.765 3.027 20 10 CGCDMO CC(C)[N@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCOC1 ZINC000293857160 372502888 /nfs/dbraw/zinc/50/28/88/372502888.db2.gz ICIOTILCDUFOTL-LLVKDONJSA-N 1 1 287.762 3.184 20 10 CGCDMO CC(C)[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCOC1 ZINC000293857160 372502897 /nfs/dbraw/zinc/50/28/97/372502897.db2.gz ICIOTILCDUFOTL-LLVKDONJSA-N 1 1 287.762 3.184 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(F)cc1O ZINC000168818038 372621307 /nfs/dbraw/zinc/62/13/07/372621307.db2.gz BYJBBIYPCMCUJK-GXSJLCMTSA-N 1 1 287.425 3.031 20 10 CGCDMO CSC1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294818125 372672525 /nfs/dbraw/zinc/67/25/25/372672525.db2.gz XHQGURSQIICIFB-UHFFFAOYSA-N 1 1 275.776 3.170 20 10 CGCDMO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)c2nccn21 ZINC000295346080 372744467 /nfs/dbraw/zinc/74/44/67/372744467.db2.gz YOHPSTHMGGHNIY-YOEHRIQHSA-N 1 1 296.418 3.279 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC[C@@](C)(F)C2)c1O ZINC000295585706 372837020 /nfs/dbraw/zinc/83/70/20/372837020.db2.gz BTVGLWUHKNWYPU-OAHLLOKOSA-N 1 1 267.344 3.115 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)CCCCO)c1ccc(F)cc1O ZINC000296272398 373075492 /nfs/dbraw/zinc/07/54/92/373075492.db2.gz DRPNKGHXGSZCIV-SMDDNHRTSA-N 1 1 269.360 3.123 20 10 CGCDMO C[C@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)c1ccccc1O ZINC000296512352 373158822 /nfs/dbraw/zinc/15/88/22/373158822.db2.gz PMTANHSAYGIWLV-VIFPVBQESA-N 1 1 297.280 3.052 20 10 CGCDMO CCN(C)c1ccc([C@H](C)[NH2+]Cc2nccn2CC)cc1 ZINC000296599546 373188819 /nfs/dbraw/zinc/18/88/19/373188819.db2.gz VLPHTTYZCGIMCB-AWEZNQCLSA-N 1 1 286.423 3.210 20 10 CGCDMO COc1ccc(N2CCCN(c3cc(C)cc[nH+]3)CC2)cc1 ZINC000301645033 373793362 /nfs/dbraw/zinc/79/33/62/373793362.db2.gz OXXBESLMMUVXOM-UHFFFAOYSA-N 1 1 297.402 3.115 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)[C@H](C)c2ccco2)cc1OC ZINC000179682668 373905699 /nfs/dbraw/zinc/90/56/99/373905699.db2.gz FLWDBZPHWSCKJB-LLVKDONJSA-N 1 1 291.347 3.195 20 10 CGCDMO Cc1cccc(CN2CCC[N@H+](C3CCCC3)CC2)c1O ZINC000179936335 373942312 /nfs/dbraw/zinc/94/23/12/373942312.db2.gz YHLJCTHGTSDCLV-UHFFFAOYSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1cccc(C[N@@H+]2CCCN(C3CCCC3)CC2)c1O ZINC000179936335 373942317 /nfs/dbraw/zinc/94/23/17/373942317.db2.gz YHLJCTHGTSDCLV-UHFFFAOYSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1cccc(C[N@H+]2CCCN(C3CCCC3)CC2)c1O ZINC000179936335 373942322 /nfs/dbraw/zinc/94/23/22/373942322.db2.gz YHLJCTHGTSDCLV-UHFFFAOYSA-N 1 1 288.435 3.151 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)[C@H](C)c2ccncc2)c1O ZINC000183710862 374443875 /nfs/dbraw/zinc/44/38/75/374443875.db2.gz XRCLKRKSKOVNRW-CYBMUJFWSA-N 1 1 286.375 3.379 20 10 CGCDMO COCCC1(C[NH2+][C@H](C)c2ccc(F)cc2O)CCC1 ZINC000185752686 374729983 /nfs/dbraw/zinc/72/99/83/374729983.db2.gz NHZGLERAXMKBEW-GFCCVEGCSA-N 1 1 281.371 3.389 20 10 CGCDMO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000529667834 375933402 /nfs/dbraw/zinc/93/34/02/375933402.db2.gz ABWKBRYYQHGIJG-GMAGZHIISA-N 1 1 287.762 3.086 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)cc1C ZINC000246234324 376993669 /nfs/dbraw/zinc/99/36/69/376993669.db2.gz FPLKFNCBIYHWJN-WMLDXEAASA-N 1 1 275.392 3.010 20 10 CGCDMO Cn1ccc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000269367578 378212392 /nfs/dbraw/zinc/21/23/92/378212392.db2.gz RQYBANPMNLNZID-UHFFFAOYSA-N 1 1 298.434 3.042 20 10 CGCDMO Cn1ccc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000269367578 378212396 /nfs/dbraw/zinc/21/23/96/378212396.db2.gz RQYBANPMNLNZID-UHFFFAOYSA-N 1 1 298.434 3.042 20 10 CGCDMO Cc1cnc(CC[N@H+](C)Cc2c(O)cccc2Cl)s1 ZINC000271174201 378470388 /nfs/dbraw/zinc/47/03/88/378470388.db2.gz GFFDAORBKNQSNZ-UHFFFAOYSA-N 1 1 296.823 3.485 20 10 CGCDMO CO[C@@H](C)c1nc(C[NH2+]Cc2cccc(C)c2O)cs1 ZINC000271797178 378503975 /nfs/dbraw/zinc/50/39/75/378503975.db2.gz IFFKUNBVTCJYEZ-NSHDSACASA-N 1 1 292.404 3.154 20 10 CGCDMO COc1ccc(O)c(C[N@H+](C)Cc2ccc(F)cc2F)c1 ZINC000271794788 378504048 /nfs/dbraw/zinc/50/40/48/378504048.db2.gz JXYSQPBHDFBSFE-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)Cc2ccc(F)cc2F)c1 ZINC000271794788 378504057 /nfs/dbraw/zinc/50/40/57/378504057.db2.gz JXYSQPBHDFBSFE-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO C[N@H+](CCOCc1ccccc1)Cc1cccc(F)c1O ZINC000272419472 378633359 /nfs/dbraw/zinc/63/33/59/378633359.db2.gz LTRTXRPTSFLYNK-UHFFFAOYSA-N 1 1 289.350 3.180 20 10 CGCDMO C[N@@H+](CCOCc1ccccc1)Cc1cccc(F)c1O ZINC000272419472 378633363 /nfs/dbraw/zinc/63/33/63/378633363.db2.gz LTRTXRPTSFLYNK-UHFFFAOYSA-N 1 1 289.350 3.180 20 10 CGCDMO CC(C)C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2O)CCO1 ZINC000272674254 378687557 /nfs/dbraw/zinc/68/75/57/378687557.db2.gz UIGRJJKNFBBFEQ-ZIAGYGMSSA-N 1 1 281.371 3.215 20 10 CGCDMO Cc1nn(C(C)C)cc1C[N@@H+](C)Cc1ccccc1O ZINC000281625348 379841099 /nfs/dbraw/zinc/84/10/99/379841099.db2.gz NXOYGXZHUIWKJR-UHFFFAOYSA-N 1 1 273.380 3.110 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@H]2c2ccnn2C)cc1 ZINC000281260919 379826106 /nfs/dbraw/zinc/82/61/06/379826106.db2.gz NDINLJRPSPHHIQ-SFHVURJKSA-N 1 1 298.434 3.213 20 10 CGCDMO CCCC[N@@H+](Cc1c[nH]nc1C)Cc1ccccc1O ZINC000283032936 380025356 /nfs/dbraw/zinc/02/53/56/380025356.db2.gz NIWWFELYIBTVRF-UHFFFAOYSA-N 1 1 273.380 3.226 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)c1cn(C)nc1C)c1ccc(F)cc1O ZINC000286134128 380163718 /nfs/dbraw/zinc/16/37/18/380163718.db2.gz OREJPHJIVCGKLK-BMIGLBTASA-N 1 1 291.370 3.375 20 10 CGCDMO CC[C@@H]([NH2+]CC1(CCOC)CC1)c1ccc(F)cc1O ZINC000286172453 380171320 /nfs/dbraw/zinc/17/13/20/380171320.db2.gz PXCDWPJFLRTNBH-CQSZACIVSA-N 1 1 281.371 3.389 20 10 CGCDMO CC[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1ccc(F)cc1O ZINC000286232911 380179371 /nfs/dbraw/zinc/17/93/71/380179371.db2.gz SYCWDXIQZXKLJY-SMDDNHRTSA-N 1 1 283.387 3.369 20 10 CGCDMO CC[C@@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1ccc(F)cc1O ZINC000286232905 380179785 /nfs/dbraw/zinc/17/97/85/380179785.db2.gz SYCWDXIQZXKLJY-BXUZGUMPSA-N 1 1 283.387 3.369 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)CC1CC(OCC)C1 ZINC000286238380 380180412 /nfs/dbraw/zinc/18/04/12/380180412.db2.gz CGYPSQFXAMTBJY-UHFFFAOYSA-N 1 1 277.408 3.419 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cc(C)no1)c1ccc(F)cc1O ZINC000286034402 380158624 /nfs/dbraw/zinc/15/86/24/380158624.db2.gz KGUBZIOSNOPGKY-CYBMUJFWSA-N 1 1 264.300 3.069 20 10 CGCDMO CC[C@H]([NH2+][C@H](CCO)C(C)(C)C)c1ccc(F)cc1O ZINC000286022130 380159353 /nfs/dbraw/zinc/15/93/53/380159353.db2.gz IRWOXDAHJROAGO-DZGCQCFKSA-N 1 1 283.387 3.369 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)C2CC2)c1O ZINC000184680120 262025843 /nfs/dbraw/zinc/02/58/43/262025843.db2.gz LBNLPOOWUWWHCR-VIFPVBQESA-N 1 1 269.772 3.285 20 10 CGCDMO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3c[nH]nc32)c(O)c1C ZINC000363865389 382259416 /nfs/dbraw/zinc/25/94/16/382259416.db2.gz NDIWTQCLLHPRQC-SWLSCSKDSA-N 1 1 285.391 3.460 20 10 CGCDMO COc1cc(O)c(C[N@@H+](CC(C)C)C2CC2)cc1OC ZINC000179437120 392702665 /nfs/dbraw/zinc/70/26/65/392702665.db2.gz SSFGGFLNVSHZQN-UHFFFAOYSA-N 1 1 279.380 3.030 20 10 CGCDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccccc3O)C2)cc1 ZINC000179566810 392704667 /nfs/dbraw/zinc/70/46/67/392704667.db2.gz CUFPYTCRXQGXCK-HNNXBMFYSA-N 1 1 283.371 3.390 20 10 CGCDMO CCN(CC)c1ccc(C[NH2+]CC(C)(C)CN(C)C)cc1 ZINC000021059242 171296576 /nfs/dbraw/zinc/29/65/76/171296576.db2.gz AYADPOKQRGHEJV-UHFFFAOYSA-N 1 1 291.483 3.210 20 10 CGCDMO CCN(CC)c1ccc(CNCC(C)(C)C[NH+](C)C)cc1 ZINC000021059242 171296577 /nfs/dbraw/zinc/29/65/77/171296577.db2.gz AYADPOKQRGHEJV-UHFFFAOYSA-N 1 1 291.483 3.210 20 10 CGCDMO CC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@H](C)C(C)C ZINC000159982872 261200954 /nfs/dbraw/zinc/20/09/54/261200954.db2.gz IGRFCAQFBNZOJR-GFCCVEGCSA-N 1 1 281.396 3.276 20 10 CGCDMO OC[C@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1ccccc1O ZINC000184788505 262029930 /nfs/dbraw/zinc/02/99/30/262029930.db2.gz FJODMKVDYCEKBS-GOSISDBHSA-N 1 1 297.398 3.165 20 10 CGCDMO C[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccc(F)cc1O ZINC000185518638 262057994 /nfs/dbraw/zinc/05/79/94/262057994.db2.gz RAGURGDMYAZTQS-BONVTDFDSA-N 1 1 295.379 3.151 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(F)cc1O ZINC000185772196 262069812 /nfs/dbraw/zinc/06/98/12/262069812.db2.gz NZNVAKHPMVPCHW-DSPGLSBSSA-N 1 1 279.355 3.140 20 10 CGCDMO CCc1cnc(C[NH2+][C@@H](C)c2ccc(F)cc2O)s1 ZINC000185584201 262305899 /nfs/dbraw/zinc/30/58/99/262305899.db2.gz XBKXSPJFTQTQDN-VIFPVBQESA-N 1 1 280.368 3.401 20 10 CGCDMO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000281228445 263067316 /nfs/dbraw/zinc/06/73/16/263067316.db2.gz VNXDZURKQXBBBK-OAHLLOKOSA-N 1 1 285.391 3.336 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(F)cc1O ZINC000286075562 328249004 /nfs/dbraw/zinc/24/90/04/328249004.db2.gz LGDUKUIYMSEAAE-OSMZGAPFSA-N 1 1 267.344 3.140 20 10 CGCDMO COCCC1CC[NH+]([C@H](C)c2ccc(F)cc2O)CC1 ZINC000527933934 330297731 /nfs/dbraw/zinc/29/77/31/330297731.db2.gz JKSMMNKBNDIYRW-GFCCVEGCSA-N 1 1 281.371 3.341 20 10 CGCDMO CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccc(F)cc1O ZINC000528000965 330300035 /nfs/dbraw/zinc/30/00/35/330300035.db2.gz TWXIGFWQYKKLOO-KMUNFCNLSA-N 1 1 267.344 3.138 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1ccc(F)cc1O ZINC000528001678 330300176 /nfs/dbraw/zinc/30/01/76/330300176.db2.gz MQMJRSFNTDELAS-DOMZBBRYSA-N 1 1 292.398 3.199 20 10 CGCDMO Oc1c(F)cccc1C[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC000529641348 333503148 /nfs/dbraw/zinc/50/31/48/333503148.db2.gz QQLMDYKLMTZGAF-HNNXBMFYSA-N 1 1 292.398 3.028 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)Cc2ccc(O)cc2)c1O ZINC000290354538 521333310 /nfs/dbraw/zinc/33/33/10/521333310.db2.gz GJQMZUZGRSRBLG-UHFFFAOYSA-N 1 1 287.359 3.129 20 10 CGCDMO CCC[N@H+](CC)C[C@@H](C)NCc1cccc(OCC)c1O ZINC000289534613 521611265 /nfs/dbraw/zinc/61/12/65/521611265.db2.gz JHYSXRNMYUFIPO-CQSZACIVSA-N 1 1 294.439 3.001 20 10 CGCDMO CCC[N@@H+](CC)C[C@@H](C)NCc1cccc(OCC)c1O ZINC000289534613 521611268 /nfs/dbraw/zinc/61/12/68/521611268.db2.gz JHYSXRNMYUFIPO-CQSZACIVSA-N 1 1 294.439 3.001 20 10 CGCDMO CC[C@@H]([NH2+]CC(C)(C)COC)c1ccc(F)cc1O ZINC000293276201 522819130 /nfs/dbraw/zinc/81/91/30/522819130.db2.gz CPVWVLBYRRMZDE-CYBMUJFWSA-N 1 1 269.360 3.245 20 10 CGCDMO CC[C@@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(F)cc1O ZINC000290029025 522944191 /nfs/dbraw/zinc/94/41/91/522944191.db2.gz CTFGCLAKVYNPIW-HUUCEWRRSA-N 1 1 281.371 3.123 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)c1 ZINC000291642226 524736591 /nfs/dbraw/zinc/73/65/91/524736591.db2.gz TWKHHXQBTHCLMK-HNNXBMFYSA-N 1 1 261.365 3.021 20 10 CGCDMO C[C@H]([NH2+]CC(C)(C)O)c1cc(Cl)c(Cl)cc1O ZINC000192850826 525311164 /nfs/dbraw/zinc/31/11/64/525311164.db2.gz IKHGXHWGIYLKLO-ZETCQYMHSA-N 1 1 278.179 3.121 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2ccc(Cl)nc2)c1O ZINC000125747511 525913163 /nfs/dbraw/zinc/91/31/63/525913163.db2.gz OYJVFQLXVYCKPP-UHFFFAOYSA-N 1 1 292.766 3.081 20 10 CGCDMO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2O)CCCO1 ZINC000378345335 529122888 /nfs/dbraw/zinc/12/28/88/529122888.db2.gz JGEHRTVYHWXUJY-UHFFFAOYSA-N 1 1 269.772 3.047 20 10 CGCDMO Cc1cc(C[N@H+](C)Cc2cc[nH]n2)c(O)c(C(C)(C)C)c1 ZINC000732670894 572477090 /nfs/dbraw/zinc/47/70/90/572477090.db2.gz QYJVKNLLSVBAMU-UHFFFAOYSA-N 1 1 287.407 3.353 20 10 CGCDMO Cc1cc(C[N@@H+](C)Cc2cc[nH]n2)c(O)c(C(C)(C)C)c1 ZINC000732670894 572477093 /nfs/dbraw/zinc/47/70/93/572477093.db2.gz QYJVKNLLSVBAMU-UHFFFAOYSA-N 1 1 287.407 3.353 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2cccs2)c(O)c1OC ZINC000891474868 618230435 /nfs/dbraw/zinc/23/04/35/618230435.db2.gz YUEDXRIEUYOMMA-UHFFFAOYSA-N 1 1 293.388 3.103 20 10 CGCDMO Cc1cnc(Cl)c(C[N@H+](C)Cc2ccccc2O)c1 ZINC000891713680 618252993 /nfs/dbraw/zinc/25/29/93/618252993.db2.gz JZYKLJDSSVMGJA-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO Cc1cnc(Cl)c(C[N@@H+](C)Cc2ccccc2O)c1 ZINC000891713680 618252998 /nfs/dbraw/zinc/25/29/98/618252998.db2.gz JZYKLJDSSVMGJA-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC000892068813 618517474 /nfs/dbraw/zinc/51/74/74/618517474.db2.gz UFPGCKWWPASBAK-AAEUAGOBSA-N 1 1 279.380 3.030 20 10 CGCDMO C[C@H]1CSCC[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000179444610 618784845 /nfs/dbraw/zinc/78/48/45/618784845.db2.gz IHCSWSQOLOVBMY-LBPRGKRZSA-N 1 1 277.433 3.208 20 10 CGCDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2O)C12CCC2 ZINC000179586611 618795654 /nfs/dbraw/zinc/79/56/54/618795654.db2.gz IHNKQWUZKGCCAZ-CVEARBPZSA-N 1 1 275.392 3.172 20 10 CGCDMO Cc1cc(O)c(CNC[C@@H]2CC[N@@H+](C(C)C)C2)c(Cl)c1 ZINC000840887753 618897845 /nfs/dbraw/zinc/89/78/45/618897845.db2.gz OORMTBNCFWRPLR-ZDUSSCGKSA-N 1 1 296.842 3.174 20 10 CGCDMO Cc1cc(O)c(CNC[C@@H]2CC[N@H+](C(C)C)C2)c(Cl)c1 ZINC000840887753 618897846 /nfs/dbraw/zinc/89/78/46/618897846.db2.gz OORMTBNCFWRPLR-ZDUSSCGKSA-N 1 1 296.842 3.174 20 10 CGCDMO CC[N@@H+](Cc1c(O)ccc2ccccc21)[C@@H]1CCOC1 ZINC000312560908 619092135 /nfs/dbraw/zinc/09/21/35/619092135.db2.gz NCUGMPLUSGHITE-CQSZACIVSA-N 1 1 271.360 3.156 20 10 CGCDMO CC[N@@H+](CCC(F)(F)F)Cc1cccc(OC)c1O ZINC000092753817 619126092 /nfs/dbraw/zinc/12/60/92/619126092.db2.gz MEYHAUMJLRDKQB-UHFFFAOYSA-N 1 1 277.286 3.175 20 10 CGCDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000093558523 619203637 /nfs/dbraw/zinc/20/36/37/619203637.db2.gz UIOAZABDESCQCR-ZDUSSCGKSA-N 1 1 266.454 3.326 20 10 CGCDMO CC[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000925802994 619255450 /nfs/dbraw/zinc/25/54/50/619255450.db2.gz LLBDAFALHPTTMP-JMSVASOKSA-N 1 1 296.842 3.332 20 10 CGCDMO CCN(CC)c1ccc(CN[C@H](C)C[NH+](CC)CC)cc1 ZINC000059715279 619280003 /nfs/dbraw/zinc/28/00/03/619280003.db2.gz KPLIXVPCPAZTOR-MRXNPFEDSA-N 1 1 291.483 3.353 20 10 CGCDMO Cc1cccc(C[N@H+]2CC3(CCOCC3)[C@H]2C(C)C)c1O ZINC000840970360 619295826 /nfs/dbraw/zinc/29/58/26/619295826.db2.gz PYHYJZLMICGWDD-QGZVFWFLSA-N 1 1 289.419 3.338 20 10 CGCDMO C[C@@H](N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1O ZINC000248384105 619379779 /nfs/dbraw/zinc/37/97/79/619379779.db2.gz CQOAXTQGBOKSMG-XUWVNRHRSA-N 1 1 290.451 3.409 20 10 CGCDMO C[C@@H](N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1O ZINC000248384105 619379782 /nfs/dbraw/zinc/37/97/82/619379782.db2.gz CQOAXTQGBOKSMG-XUWVNRHRSA-N 1 1 290.451 3.409 20 10 CGCDMO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@H](C)c1ccccc1O ZINC000248384104 619380019 /nfs/dbraw/zinc/38/00/19/619380019.db2.gz CQOAXTQGBOKSMG-QKPAOTATSA-N 1 1 290.451 3.409 20 10 CGCDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@H](C)c1ccccc1O ZINC000248384104 619380021 /nfs/dbraw/zinc/38/00/21/619380021.db2.gz CQOAXTQGBOKSMG-QKPAOTATSA-N 1 1 290.451 3.409 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[NH+]1CC(C(F)(F)F)C1 ZINC000894890326 619669535 /nfs/dbraw/zinc/66/95/35/619669535.db2.gz IVUYBDWZAWHRIU-UHFFFAOYSA-N 1 1 272.314 3.055 20 10 CGCDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1O)C1CC(C)(C)C1 ZINC000894923748 619684111 /nfs/dbraw/zinc/68/41/11/619684111.db2.gz LKJAOIZKSHNXNT-UHFFFAOYSA-N 1 1 293.407 3.420 20 10 CGCDMO CCCC[C@H](COC)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185494528 625363423 /nfs/dbraw/zinc/36/34/23/625363423.db2.gz TYSLEJPGSADLLY-DGCLKSJQSA-N 1 1 269.360 3.387 20 10 CGCDMO CO[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)CC(C)C ZINC000841888318 619815087 /nfs/dbraw/zinc/81/50/87/619815087.db2.gz HSEXNZTZYFVTJE-SNVBAGLBSA-N 1 1 289.778 3.335 20 10 CGCDMO COc1cc(C)cc(C[NH2+]Cc2ncc(Cl)s2)c1O ZINC000895473704 619835773 /nfs/dbraw/zinc/83/57/73/619835773.db2.gz KLUJQALQLOEUCZ-UHFFFAOYSA-N 1 1 298.795 3.109 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@H](c3nccs3)C2)c(O)c1 ZINC000895583365 619854349 /nfs/dbraw/zinc/85/43/49/619854349.db2.gz NYZDFQUMKZERHF-ZDUSSCGKSA-N 1 1 274.389 3.147 20 10 CGCDMO [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895847218 619895984 /nfs/dbraw/zinc/89/59/84/619895984.db2.gz NBISRYUNVZUYJN-QMTHXVAHSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895847218 619895986 /nfs/dbraw/zinc/89/59/86/619895986.db2.gz NBISRYUNVZUYJN-QMTHXVAHSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895847218 619895989 /nfs/dbraw/zinc/89/59/89/619895989.db2.gz NBISRYUNVZUYJN-QMTHXVAHSA-N 1 1 299.773 3.186 20 10 CGCDMO CCCN(CCC)c1ccc(C[N@H+]2C[C@@H](O)C[C@H]2C)cc1 ZINC000788270303 619902582 /nfs/dbraw/zinc/90/25/82/619902582.db2.gz QWKMSIILPDRXBV-QAPCUYQASA-N 1 1 290.451 3.268 20 10 CGCDMO Cc1cccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)c1O ZINC000896423525 620007175 /nfs/dbraw/zinc/00/71/75/620007175.db2.gz UANPWFBEGTXOEM-HOCLYGCPSA-N 1 1 287.334 3.262 20 10 CGCDMO COCc1csc(C[NH2+]Cc2c(O)cccc2F)c1 ZINC000896637982 620041422 /nfs/dbraw/zinc/04/14/22/620041422.db2.gz MIOGEIZWZAARFZ-UHFFFAOYSA-N 1 1 281.352 3.029 20 10 CGCDMO C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1cncs1 ZINC000897930078 620450570 /nfs/dbraw/zinc/45/05/70/620450570.db2.gz IJNGVLNNZXSMBT-VIFPVBQESA-N 1 1 297.374 3.338 20 10 CGCDMO Nc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(F)c1O ZINC000841058949 620548253 /nfs/dbraw/zinc/54/82/53/620548253.db2.gz XGTPBNOJZMXRIR-INIZCTEOSA-N 1 1 286.350 3.281 20 10 CGCDMO Cc1ccc(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c(O)c1 ZINC000898511661 620593922 /nfs/dbraw/zinc/59/39/22/620593922.db2.gz DHTNCHJOSOFIPL-RDJZCZTQSA-N 1 1 289.419 3.339 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+](CC(C)C)C2CC2)c1[O-] ZINC000042558421 621179497 /nfs/dbraw/zinc/17/94/97/621179497.db2.gz HLNWZIVCMHVSTE-UHFFFAOYSA-N 1 1 279.355 3.354 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+](CC(C)C)C2CC2)c1O ZINC000042558421 621179512 /nfs/dbraw/zinc/17/95/12/621179512.db2.gz HLNWZIVCMHVSTE-UHFFFAOYSA-N 1 1 279.355 3.354 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+](CC(C)C)C2CC2)c1O ZINC000042558421 621179525 /nfs/dbraw/zinc/17/95/25/621179525.db2.gz HLNWZIVCMHVSTE-UHFFFAOYSA-N 1 1 279.355 3.354 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)c1c(O)cccc1F ZINC000903255299 621643607 /nfs/dbraw/zinc/64/36/07/621643607.db2.gz XMQKQVNHETTXLG-ITDIGPHOSA-N 1 1 279.355 3.140 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@]1(OC)CCSC1)c1ccc(F)cc1O ZINC000903313967 621685286 /nfs/dbraw/zinc/68/52/86/621685286.db2.gz DSGJZEOFLSGZHC-HIFRSBDPSA-N 1 1 299.411 3.094 20 10 CGCDMO CC[C@@H]1CCC[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000164008374 622810871 /nfs/dbraw/zinc/81/08/71/622810871.db2.gz QJCWXUGXRNUZPD-CYBMUJFWSA-N 1 1 263.381 3.331 20 10 CGCDMO COCCC[N@@H+](C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000164215477 622819351 /nfs/dbraw/zinc/81/93/51/622819351.db2.gz XVEKSLIBEUUCOC-UHFFFAOYSA-N 1 1 295.423 3.167 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCS[C@H](C)[C@@H]2C)c1O ZINC000164345658 622829334 /nfs/dbraw/zinc/82/93/34/622829334.db2.gz IHTLUFLUDPHFLS-NWDGAFQWSA-N 1 1 281.421 3.035 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC3(CCC3)C2)c1O ZINC000164487832 622837249 /nfs/dbraw/zinc/83/72/49/622837249.db2.gz KDBLNYSRHTVUBJ-UHFFFAOYSA-N 1 1 261.365 3.085 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2CN2CCCC2)cc1C ZINC000172484427 623251354 /nfs/dbraw/zinc/25/13/54/623251354.db2.gz QFHLNJDZZVOEEK-QGZVFWFLSA-N 1 1 288.435 3.069 20 10 CGCDMO Cc1cc(O)c(CN2CCC[C@@H]2C[NH+]2CCCC2)cc1C ZINC000172484427 623251358 /nfs/dbraw/zinc/25/13/58/623251358.db2.gz QFHLNJDZZVOEEK-QGZVFWFLSA-N 1 1 288.435 3.069 20 10 CGCDMO CC(C)C[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1O)N(C)C ZINC000062745406 623265011 /nfs/dbraw/zinc/26/50/11/623265011.db2.gz UNCIAYSXDASZMA-OCCSQVGLSA-N 1 1 282.403 3.158 20 10 CGCDMO CC[C@H]1COCC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000151911042 623584741 /nfs/dbraw/zinc/58/47/41/623584741.db2.gz ORKNQOKPWRKYGD-AWEZNQCLSA-N 1 1 293.407 3.006 20 10 CGCDMO CC[C@H]1COCC[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000151911042 623584748 /nfs/dbraw/zinc/58/47/48/623584748.db2.gz ORKNQOKPWRKYGD-AWEZNQCLSA-N 1 1 293.407 3.006 20 10 CGCDMO OCC[N@@H+](Cc1cc(Cl)ccc1O)C1CCCCC1 ZINC000155138564 624433548 /nfs/dbraw/zinc/43/35/48/624433548.db2.gz OOWRPIXFMAEMGG-UHFFFAOYSA-N 1 1 283.799 3.173 20 10 CGCDMO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1cc(F)ccc1O ZINC000180135338 624721222 /nfs/dbraw/zinc/72/12/22/624721222.db2.gz QHPYWIARAWHJDX-LLVKDONJSA-N 1 1 275.323 3.430 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)c1 ZINC000180672742 624766611 /nfs/dbraw/zinc/76/66/11/624766611.db2.gz LFAKTAUXUDXLKU-RDJZCZTQSA-N 1 1 293.407 3.036 20 10 CGCDMO CC[C@H](C)C[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774907347 626181896 /nfs/dbraw/zinc/18/18/96/626181896.db2.gz ABJZEPHUJNSBGQ-NSHDSACASA-N 1 1 296.367 3.177 20 10 CGCDMO CC[C@H](C)C[N@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774907347 626181898 /nfs/dbraw/zinc/18/18/98/626181898.db2.gz ABJZEPHUJNSBGQ-NSHDSACASA-N 1 1 296.367 3.177 20 10 CGCDMO CC[C@H](C)C[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774907347 626181901 /nfs/dbraw/zinc/18/19/01/626181901.db2.gz ABJZEPHUJNSBGQ-NSHDSACASA-N 1 1 296.367 3.177 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@H]2CC2(Cl)Cl)cc1 ZINC000838523514 626234252 /nfs/dbraw/zinc/23/42/52/626234252.db2.gz XTDDLWLDVFTRRS-GFCCVEGCSA-N 1 1 287.234 3.378 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1[O-] ZINC000806138893 626360609 /nfs/dbraw/zinc/36/06/09/626360609.db2.gz DLVQAEUKKQEJCB-DOMZBBRYSA-N 1 1 296.842 3.428 20 10 CGCDMO CC1(C)C[N@@H+](Cc2c(O)ccc3ccncc32)CCS1 ZINC000751598742 626398155 /nfs/dbraw/zinc/39/81/55/626398155.db2.gz IHNRUUAJDADNMJ-UHFFFAOYSA-N 1 1 288.416 3.268 20 10 CGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000756079052 626675140 /nfs/dbraw/zinc/67/51/40/626675140.db2.gz FYVZHWHBWDFSAP-QGZVFWFLSA-N 1 1 276.424 3.142 20 10 CGCDMO Cc1cccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)n1 ZINC000756442435 626706131 /nfs/dbraw/zinc/70/61/31/626706131.db2.gz POWIXIKDBWDDOC-JTQLQIEISA-N 1 1 278.302 3.225 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)cc1O ZINC000756514506 626711047 /nfs/dbraw/zinc/71/10/47/626711047.db2.gz HWZPJNPHEJJGJA-LLVKDONJSA-N 1 1 287.334 3.317 20 10 CGCDMO Cc1ncsc1C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756549486 626714065 /nfs/dbraw/zinc/71/40/65/626714065.db2.gz OAVWJCMGLACCJW-SSDOTTSWSA-N 1 1 284.331 3.286 20 10 CGCDMO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C)C2)c(O)c1C ZINC000756554043 626714698 /nfs/dbraw/zinc/71/46/98/626714698.db2.gz NQYLRSHTKCWGTA-GJZGRUSLSA-N 1 1 276.424 3.001 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H]2C)c1 ZINC000756683209 626726708 /nfs/dbraw/zinc/72/67/08/626726708.db2.gz KMROOTUNOWWAQH-UHIISALHSA-N 1 1 277.364 3.018 20 10 CGCDMO CC(C)c1nnc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)[nH]1 ZINC000756776763 626731405 /nfs/dbraw/zinc/73/14/05/626731405.db2.gz DDGCOQYLBSNDFQ-NXEZZACHSA-N 1 1 292.358 3.185 20 10 CGCDMO C[C@@H]([NH2+]Cc1cocn1)c1cc2c(cc1O)CCCC2 ZINC000756831322 626736082 /nfs/dbraw/zinc/73/60/82/626736082.db2.gz NNOQPLKTZRRBDF-LLVKDONJSA-N 1 1 272.348 3.110 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)c1O ZINC000761215605 627026299 /nfs/dbraw/zinc/02/62/99/627026299.db2.gz HAKJQUMONBNUJF-JOYOIKCWSA-N 1 1 287.762 3.234 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@H](F)C2)c1O ZINC000761215605 627026302 /nfs/dbraw/zinc/02/63/02/627026302.db2.gz HAKJQUMONBNUJF-JOYOIKCWSA-N 1 1 287.762 3.234 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H]2CCCO2)cc1F ZINC000761228172 627027106 /nfs/dbraw/zinc/02/71/06/627027106.db2.gz INGINVLHWKVEKY-OAHLLOKOSA-N 1 1 294.414 3.283 20 10 CGCDMO Cc1cc(C[N@@H+](Cc2ccccc2O)C2CCCC2)nn1C ZINC000767899802 627442089 /nfs/dbraw/zinc/44/20/89/627442089.db2.gz NXVHPTYBNIYHNL-UHFFFAOYSA-N 1 1 299.418 3.379 20 10 CGCDMO Oc1ccccc1C[N@H+](Cc1ccoc1)C[C@@H]1CCCO1 ZINC000768163301 627465044 /nfs/dbraw/zinc/46/50/44/627465044.db2.gz XXTQJIIDPDBERG-INIZCTEOSA-N 1 1 287.359 3.166 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2ccoc2)c1 ZINC000769006465 627516142 /nfs/dbraw/zinc/51/61/42/627516142.db2.gz URTDBBKEIVLRHV-UHFFFAOYSA-N 1 1 261.321 3.016 20 10 CGCDMO CCOc1ccc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c(O)c1 ZINC000769142782 627525462 /nfs/dbraw/zinc/52/54/62/627525462.db2.gz ZUVSQOXTKZYWIL-TXEJJXNPSA-N 1 1 281.421 3.117 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000769311672 627539129 /nfs/dbraw/zinc/53/91/29/627539129.db2.gz NWLMOHQTYYGZDS-CQSZACIVSA-N 1 1 291.782 3.079 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CCN(C)c3ccccc3C2)c1 ZINC000769319872 627540417 /nfs/dbraw/zinc/54/04/17/627540417.db2.gz BRBUGLSRNFGIIZ-UHFFFAOYSA-N 1 1 282.387 3.153 20 10 CGCDMO CCOc1ccc(C[N@H+]2C[C@H](C)C[C@@H]2CC)c(O)c1 ZINC000769449125 627553780 /nfs/dbraw/zinc/55/37/80/627553780.db2.gz ZCOOVGKJBRHDMH-OCCSQVGLSA-N 1 1 263.381 3.411 20 10 CGCDMO CCC[C@H]1CCC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000769503779 627560349 /nfs/dbraw/zinc/56/03/49/627560349.db2.gz LVXZXFBFNSFFFG-ZDUSSCGKSA-N 1 1 263.381 3.413 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@](C)(CC)C2)c1 ZINC000769519090 627562347 /nfs/dbraw/zinc/56/23/47/627562347.db2.gz JWTNGMSMNOUOMK-MRXNPFEDSA-N 1 1 263.381 3.413 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000770286601 627611740 /nfs/dbraw/zinc/61/17/40/627611740.db2.gz RYLUMLXHVXBCBB-FZMZJTMJSA-N 1 1 281.783 3.047 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000770285295 627611989 /nfs/dbraw/zinc/61/19/89/627611989.db2.gz FPQDERKVJJMZTA-RISCZKNCSA-N 1 1 281.783 3.047 20 10 CGCDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(N(C)CC)cc1 ZINC000773755623 627911646 /nfs/dbraw/zinc/91/16/46/627911646.db2.gz UNIVEJYIWXFNHI-MSOLQXFVSA-N 1 1 290.451 3.268 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000773819097 627916826 /nfs/dbraw/zinc/91/68/26/627916826.db2.gz OEWLEBXTBLHGSU-INIZCTEOSA-N 1 1 284.407 3.203 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000773819097 627916829 /nfs/dbraw/zinc/91/68/29/627916829.db2.gz OEWLEBXTBLHGSU-INIZCTEOSA-N 1 1 284.407 3.203 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)cc1 ZINC000773861896 627921257 /nfs/dbraw/zinc/92/12/57/627921257.db2.gz ACZJIVMTBPBYDA-QAPCUYQASA-N 1 1 290.451 3.126 20 10 CGCDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cc(OC)c(C)cc1O ZINC000774621433 628009771 /nfs/dbraw/zinc/00/97/71/628009771.db2.gz QJHIFEYRLKLMHJ-BXUZGUMPSA-N 1 1 263.381 3.330 20 10 CGCDMO CCC[C@]1(CO)CCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000775175616 628068567 /nfs/dbraw/zinc/06/85/67/628068567.db2.gz JSJKGCVHJSPJGZ-QGZVFWFLSA-N 1 1 294.414 3.019 20 10 CGCDMO CCC[C@]1(COC)CCC[N@H+]1Cc1cccc(C)c1O ZINC000775201159 628072144 /nfs/dbraw/zinc/07/21/44/628072144.db2.gz CDTFGTCTBTUAFZ-QGZVFWFLSA-N 1 1 277.408 3.482 20 10 CGCDMO CC[N@@H+](Cc1ccoc1)Cc1cc(OC)c(OC)cc1O ZINC000775675067 628123884 /nfs/dbraw/zinc/12/38/84/628123884.db2.gz RGGXBIDLEMRXGM-UHFFFAOYSA-N 1 1 291.347 3.025 20 10 CGCDMO C[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(F)ccc1O ZINC000779025769 628384101 /nfs/dbraw/zinc/38/41/01/628384101.db2.gz HSJOWMIHJCGDLE-LBPRGKRZSA-N 1 1 271.335 3.478 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](Cc2ccc(F)nc2)C2CC2)cc1 ZINC000779154361 628390935 /nfs/dbraw/zinc/39/09/35/628390935.db2.gz RXXMBFYCFCFUGZ-UHFFFAOYSA-N 1 1 299.393 3.451 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH2+]C2(C3CC3)CC2)c1 ZINC000781636420 628581324 /nfs/dbraw/zinc/58/13/24/628581324.db2.gz WTEMNJWVRVNHBO-UHFFFAOYSA-N 1 1 296.208 3.495 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000781930407 628606056 /nfs/dbraw/zinc/60/60/56/628606056.db2.gz WSERUMOJDXJCHE-CXAGYDPISA-N 1 1 275.392 3.413 20 10 CGCDMO C[C@@H]1CC[C@@H](C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)O1 ZINC000789310335 629122860 /nfs/dbraw/zinc/12/28/60/629122860.db2.gz QQANSLVRCLYVTH-KDOFPFPSSA-N 1 1 288.435 3.285 20 10 CGCDMO CC1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CCOCC1 ZINC000790972813 629244941 /nfs/dbraw/zinc/24/49/41/629244941.db2.gz HRVYMEKEVVMHNQ-UHFFFAOYSA-N 1 1 287.762 3.091 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCCSC1 ZINC000790973601 629245006 /nfs/dbraw/zinc/24/50/06/629245006.db2.gz OOZAIIPKJIMDKD-MRVPVSSYSA-N 1 1 275.776 3.170 20 10 CGCDMO CCO[C@@H]1CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862212289 629323582 /nfs/dbraw/zinc/32/35/82/629323582.db2.gz NUSAREOFOZXFCW-CYBMUJFWSA-N 1 1 298.377 3.032 20 10 CGCDMO CCO[C@@H]1CCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862212289 629323590 /nfs/dbraw/zinc/32/35/90/629323590.db2.gz NUSAREOFOZXFCW-CYBMUJFWSA-N 1 1 298.377 3.032 20 10 CGCDMO COc1cccc(C[N@H+]2CCCC3(CC3)CC2)c1O ZINC000862538940 629395196 /nfs/dbraw/zinc/39/51/96/629395196.db2.gz GWRMGHFSBGJPMZ-UHFFFAOYSA-N 1 1 261.365 3.167 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](c2ccc(O)cc2)C1 ZINC000862541632 629397430 /nfs/dbraw/zinc/39/74/30/629397430.db2.gz YFSFWMKEFPNTTD-AWEZNQCLSA-N 1 1 299.370 3.096 20 10 CGCDMO Cc1ccncc1C[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000793335904 629445133 /nfs/dbraw/zinc/44/51/33/629445133.db2.gz IZEHHYICNBZEHT-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO COc1cccc(C[N@@H+](CC2CC2)CC2CCC2)c1O ZINC000793388584 629453234 /nfs/dbraw/zinc/45/32/34/629453234.db2.gz GFQSALHXMMAWFO-UHFFFAOYSA-N 1 1 275.392 3.413 20 10 CGCDMO COc1cccc2c1C[N@@H+](Cc1cc3c(cc1O)CCC3)C2 ZINC000863320059 629531900 /nfs/dbraw/zinc/53/19/00/629531900.db2.gz GEVUSIRAKALEFC-UHFFFAOYSA-N 1 1 295.382 3.405 20 10 CGCDMO C[C@]1(O)CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000794673256 629565037 /nfs/dbraw/zinc/56/50/37/629565037.db2.gz SMCBVBORCIALFV-SFHVURJKSA-N 1 1 289.419 3.008 20 10 CGCDMO CCOCCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000119485142 629593417 /nfs/dbraw/zinc/59/34/17/629593417.db2.gz DOKXPXRQWGORRD-UHFFFAOYSA-N 1 1 289.375 3.414 20 10 CGCDMO CC[C@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(F)cc1O ZINC000796793266 629836007 /nfs/dbraw/zinc/83/60/07/629836007.db2.gz REDXWLCEPZTOLT-ZFWWWQNUSA-N 1 1 267.344 3.141 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccc(F)cc1O ZINC000796794291 629836109 /nfs/dbraw/zinc/83/61/09/629836109.db2.gz AMCSMORKNJVGIX-LNSITVRQSA-N 1 1 281.371 3.123 20 10 CGCDMO CC[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(F)cc1O ZINC000796838794 629844941 /nfs/dbraw/zinc/84/49/41/629844941.db2.gz ZOKDCEIQOQRXKY-OCCSQVGLSA-N 1 1 283.387 3.369 20 10 CGCDMO COc1cc(C[N@@H+]2CC(C)=C[C@H](C)C2)c(O)cc1C ZINC000797417932 629945555 /nfs/dbraw/zinc/94/55/55/629945555.db2.gz UPRACURVUQBTJZ-NSHDSACASA-N 1 1 261.365 3.107 20 10 CGCDMO CC1=CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000798089978 630022124 /nfs/dbraw/zinc/02/21/24/630022124.db2.gz CTFIABKCTQLSDY-UHFFFAOYSA-N 1 1 282.181 3.307 20 10 CGCDMO CC1=CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000798089978 630022126 /nfs/dbraw/zinc/02/21/26/630022126.db2.gz CTFIABKCTQLSDY-UHFFFAOYSA-N 1 1 282.181 3.307 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(C)c2O)CCCO1 ZINC000798964646 630130786 /nfs/dbraw/zinc/13/07/86/630130786.db2.gz ONBZLPMHXBVYLQ-AWEZNQCLSA-N 1 1 283.799 3.355 20 10 CGCDMO CC[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)CCCO1 ZINC000798965472 630132430 /nfs/dbraw/zinc/13/24/30/630132430.db2.gz YBDKOJUHNIWMKB-SNVBAGLBSA-N 1 1 287.762 3.186 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)CCCO1 ZINC000798965472 630132433 /nfs/dbraw/zinc/13/24/33/630132433.db2.gz YBDKOJUHNIWMKB-SNVBAGLBSA-N 1 1 287.762 3.186 20 10 CGCDMO CCC[N@@H+](CCOCC(C)C)Cc1ccccc1O ZINC000800347082 630267227 /nfs/dbraw/zinc/26/72/27/630267227.db2.gz SYXZXVHAPOBGRI-UHFFFAOYSA-N 1 1 265.397 3.277 20 10 CGCDMO CCCC[N@@H+](C/C=C(/C)C(=O)OC)Cc1ccccc1O ZINC000801595470 630346470 /nfs/dbraw/zinc/34/64/70/630346470.db2.gz DBDKQEZZCASKOG-UVTDQMKNSA-N 1 1 291.391 3.114 20 10 CGCDMO CCCC[N@@H+](CCSC)Cc1ccccc1O ZINC000801595189 630346753 /nfs/dbraw/zinc/34/67/53/630346753.db2.gz YGPZRJLDOZKDRG-UHFFFAOYSA-N 1 1 253.411 3.357 20 10 CGCDMO CCc1nocc1C[N@@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000840087868 630587240 /nfs/dbraw/zinc/58/72/40/630587240.db2.gz COSUXYOYJHJKKW-UHFFFAOYSA-N 1 1 286.375 3.063 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CCCN(C)C2)c1O ZINC000808692896 630665013 /nfs/dbraw/zinc/66/50/13/630665013.db2.gz BCIHVUWSCIWCGU-STQMWFEESA-N 1 1 296.842 3.346 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1 ZINC000811778770 631119641 /nfs/dbraw/zinc/11/96/41/631119641.db2.gz NSFYTNZQHLCHLG-DOTOQJQBSA-N 1 1 289.419 3.398 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+](C(C)C)[C@@H]2CCOC2)c1 ZINC000812290665 631235415 /nfs/dbraw/zinc/23/54/15/631235415.db2.gz FKPDXASZGTWLIV-OAHLLOKOSA-N 1 1 263.381 3.008 20 10 CGCDMO CC(C)[C@H]1[N@@H+](Cc2cc3c(cc2O)OCO3)CC12CCC2 ZINC000814170743 631536489 /nfs/dbraw/zinc/53/64/89/631536489.db2.gz CSEMWISLGQHJLD-MRXNPFEDSA-N 1 1 289.375 3.131 20 10 CGCDMO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000814172394 631537945 /nfs/dbraw/zinc/53/79/45/631537945.db2.gz LRVVWUZVFCXSMZ-AEFFLSMTSA-N 1 1 281.355 3.032 20 10 CGCDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000814172394 631537951 /nfs/dbraw/zinc/53/79/51/631537951.db2.gz LRVVWUZVFCXSMZ-AEFFLSMTSA-N 1 1 281.355 3.032 20 10 CGCDMO COc1cccc(O)c1C[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000814177410 631538691 /nfs/dbraw/zinc/53/86/91/631538691.db2.gz AYOMIDRMZRLBDN-CYBMUJFWSA-N 1 1 299.370 3.184 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC[C@H](CSC)C2)c(O)c1 ZINC000814179712 631539720 /nfs/dbraw/zinc/53/97/20/631539720.db2.gz XLIPCXRRMXKXLP-ZDUSSCGKSA-N 1 1 295.448 3.366 20 10 CGCDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815052374 631707795 /nfs/dbraw/zinc/70/77/95/631707795.db2.gz MLDVEROOKBYEHW-ROUUACIJSA-N 1 1 290.451 3.186 20 10 CGCDMO Cc1cc(C[N@@H+]2CCS[C@H](C)[C@H]2C)ccc1N(C)C ZINC000815050644 631707810 /nfs/dbraw/zinc/70/78/10/631707810.db2.gz DKDKCNBTPMEGIM-ZIAGYGMSSA-N 1 1 278.465 3.387 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)c(C)c2)cn1 ZINC000815074558 631711645 /nfs/dbraw/zinc/71/16/45/631711645.db2.gz XAFVJEJOTXACBX-UHFFFAOYSA-N 1 1 299.418 3.097 20 10 CGCDMO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)ccc1N(C)C ZINC000815087975 631713895 /nfs/dbraw/zinc/71/38/95/631713895.db2.gz WVIGLMHCIWBZAR-DOMZBBRYSA-N 1 1 264.388 3.241 20 10 CGCDMO C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816480139 631986816 /nfs/dbraw/zinc/98/68/16/631986816.db2.gz DRWLRGLAFQNZSW-SECBINFHSA-N 1 1 257.736 3.417 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816480139 631986822 /nfs/dbraw/zinc/98/68/22/631986822.db2.gz DRWLRGLAFQNZSW-SECBINFHSA-N 1 1 257.736 3.417 20 10 CGCDMO CC(C)(C)C[N@H+](CCO)Cc1cc(Cl)c(F)cc1O ZINC000816505129 631995869 /nfs/dbraw/zinc/99/58/69/631995869.db2.gz NSGNBKCBTVCOOI-UHFFFAOYSA-N 1 1 289.778 3.025 20 10 CGCDMO CC(C)(C)C[N@@H+](CCO)Cc1cc(Cl)c(F)cc1O ZINC000816505129 631995870 /nfs/dbraw/zinc/99/58/70/631995870.db2.gz NSGNBKCBTVCOOI-UHFFFAOYSA-N 1 1 289.778 3.025 20 10 CGCDMO CCOC[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816518617 632003323 /nfs/dbraw/zinc/00/33/23/632003323.db2.gz HYIHRHLKCKNZOH-CQSZACIVSA-N 1 1 285.387 3.404 20 10 CGCDMO COc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816528544 632004784 /nfs/dbraw/zinc/00/47/84/632004784.db2.gz HRKMWIGIEDSBBD-UHFFFAOYSA-N 1 1 295.741 3.483 20 10 CGCDMO CSC(C)(C)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816554017 632009824 /nfs/dbraw/zinc/00/98/24/632009824.db2.gz MRDGUXFKXNMKHB-UHFFFAOYSA-N 1 1 277.792 3.416 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](CO)CC2)cc1 ZINC000816666642 632040279 /nfs/dbraw/zinc/04/02/79/632040279.db2.gz SIJOHNIWMXICJJ-QGZVFWFLSA-N 1 1 290.451 3.127 20 10 CGCDMO OC[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)CC1 ZINC000816665612 632040769 /nfs/dbraw/zinc/04/07/69/632040769.db2.gz OMLSZXFMVGOWBA-CQSZACIVSA-N 1 1 285.387 3.140 20 10 CGCDMO C[C@@H](N[C@H](C[NH3+])C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000817960596 632256704 /nfs/dbraw/zinc/25/67/04/632256704.db2.gz OAPNFNNBXFGDMZ-RDTXWAMCSA-N 1 1 287.451 3.065 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1C[C@H](C)O[C@H]1C)c1ccc(F)cc1O ZINC000866446535 633136081 /nfs/dbraw/zinc/13/60/81/633136081.db2.gz FOJHCVDJZPVQKT-TXFQPVFDSA-N 1 1 267.344 3.138 20 10 CGCDMO c1cn2c(n1)[C@@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000824521111 633252283 /nfs/dbraw/zinc/25/22/83/633252283.db2.gz FXUKXBVPHGJBFZ-KRWDZBQOSA-N 1 1 296.418 3.108 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)C[C@H]2CCCOC2)cc1Cl ZINC000824719687 633279709 /nfs/dbraw/zinc/27/97/09/633279709.db2.gz GODXJFSASDKGRL-GFCCVEGCSA-N 1 1 283.799 3.212 20 10 CGCDMO CO[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1C ZINC000824815448 633295277 /nfs/dbraw/zinc/29/52/77/633295277.db2.gz PHADIHVQVBZQIB-TVQRCGJNSA-N 1 1 287.762 3.042 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1C ZINC000824815448 633295288 /nfs/dbraw/zinc/29/52/88/633295288.db2.gz PHADIHVQVBZQIB-TVQRCGJNSA-N 1 1 287.762 3.042 20 10 CGCDMO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000825005949 633317460 /nfs/dbraw/zinc/31/74/60/633317460.db2.gz VSVFDUUZVSMGCZ-OAHLLOKOSA-N 1 1 298.434 3.354 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)[C@@H](CO)CC(C)(C)C)c1O ZINC000825039984 633320821 /nfs/dbraw/zinc/32/08/21/633320821.db2.gz FAKPDHHIXPKTSP-CQSZACIVSA-N 1 1 295.423 3.020 20 10 CGCDMO Cc1cc(O)c(CN[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000825114667 633330135 /nfs/dbraw/zinc/33/01/35/633330135.db2.gz UWLBONUNCFHOBE-LSDHHAIUSA-N 1 1 294.826 3.070 20 10 CGCDMO Cc1cc(O)c(CN[C@H]2CC[N@H+]3CCCC[C@H]23)cc1Cl ZINC000825114667 633330138 /nfs/dbraw/zinc/33/01/38/633330138.db2.gz UWLBONUNCFHOBE-LSDHHAIUSA-N 1 1 294.826 3.070 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c1O ZINC000825133871 633331444 /nfs/dbraw/zinc/33/14/44/633331444.db2.gz NOYUGIXUPLOAGG-MRXNPFEDSA-N 1 1 295.810 3.357 20 10 CGCDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000825311333 633343896 /nfs/dbraw/zinc/34/38/96/633343896.db2.gz IXFHCUVPTTUNIO-KDOFPFPSSA-N 1 1 297.398 3.262 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](COC)CC2)c1 ZINC000825321737 633344800 /nfs/dbraw/zinc/34/48/00/633344800.db2.gz MLDCDQARQKNQGW-AWEZNQCLSA-N 1 1 293.407 3.039 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]C2CCC([NH+](C)C)CC2)cc1Cl ZINC000826131702 633407475 /nfs/dbraw/zinc/40/74/75/633407475.db2.gz XOEOKOFRSQXCEJ-UHFFFAOYSA-N 1 1 296.842 3.316 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000826539572 633412665 /nfs/dbraw/zinc/41/26/65/633412665.db2.gz VZFVTVUCOHKDCU-GWCFXTLKSA-N 1 1 251.757 3.420 20 10 CGCDMO C[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc3ccccc3c1O)C2 ZINC000827284945 633478579 /nfs/dbraw/zinc/47/85/79/633478579.db2.gz WZDFZJHZOVXGCH-MAUKXSAKSA-N 1 1 283.371 3.014 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000827626828 633504741 /nfs/dbraw/zinc/50/47/41/633504741.db2.gz GEUUYGKRFBGDCE-AWEZNQCLSA-N 1 1 275.392 3.413 20 10 CGCDMO C[C@@H]([NH2+]CCC1(CO)CCC1)c1ccc(Cl)cc1O ZINC000846210227 636159430 /nfs/dbraw/zinc/15/94/30/636159430.db2.gz LTLKZBSRYPERPA-LLVKDONJSA-N 1 1 283.799 3.249 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1cc(Cl)c(Cl)cc1O ZINC000872126605 634048579 /nfs/dbraw/zinc/04/85/79/634048579.db2.gz MOWSWLYRDQRNCW-IWSPIJDZSA-N 1 1 290.190 3.121 20 10 CGCDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872266676 634093732 /nfs/dbraw/zinc/09/37/32/634093732.db2.gz JUOVTQKCPBCGFT-HDICACEKSA-N 1 1 295.382 3.137 20 10 CGCDMO CCc1nc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)co1 ZINC000835054323 634338416 /nfs/dbraw/zinc/33/84/16/634338416.db2.gz KAOZSVINNLDYTL-WAYWQWQTSA-N 1 1 285.391 3.106 20 10 CGCDMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(C)cc2O)on1 ZINC000876617767 634868599 /nfs/dbraw/zinc/86/85/99/634868599.db2.gz UWFZKBSMJXXGEU-CQSZACIVSA-N 1 1 272.348 3.334 20 10 CGCDMO Cc1cccc(O)c1C[NH2+]Cc1nnc(C(C)(C)C)s1 ZINC000877084847 634979394 /nfs/dbraw/zinc/97/93/94/634979394.db2.gz OMTZSFZPAMGNEU-UHFFFAOYSA-N 1 1 291.420 3.139 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000877399152 635034732 /nfs/dbraw/zinc/03/47/32/635034732.db2.gz KXVCSAFBRAQMKQ-LJQANCHMSA-N 1 1 295.382 3.332 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+]1CCSCC[C@H]1C ZINC000877473308 635049374 /nfs/dbraw/zinc/04/93/74/635049374.db2.gz GFWLOFLYJQSVEI-GFCCVEGCSA-N 1 1 251.395 3.028 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCSCC[C@H]2C)c(O)c1 ZINC000877473561 635051174 /nfs/dbraw/zinc/05/11/74/635051174.db2.gz JTXFKEBNTJAGIB-GFCCVEGCSA-N 1 1 251.395 3.028 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000877486342 635056048 /nfs/dbraw/zinc/05/60/48/635056048.db2.gz ICVPISUWLUNPNC-CMPLNLGQSA-N 1 1 273.298 3.473 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H](C)CCOC)c1ccc(F)cc1O ZINC000840836230 635061091 /nfs/dbraw/zinc/06/10/91/635061091.db2.gz WCFGSVISOKFNNA-SMDDNHRTSA-N 1 1 269.360 3.245 20 10 CGCDMO Cc1cc([O-])c(C[N@H+](C)CC2CC[NH+](C)CC2)c(Cl)c1 ZINC000840913506 635081643 /nfs/dbraw/zinc/08/16/43/635081643.db2.gz GNZKNYZQPWGQND-UHFFFAOYSA-N 1 1 296.842 3.128 20 10 CGCDMO Cc1cc([O-])c(C[N@@H+](C)CC2CC[NH+](C)CC2)c(Cl)c1 ZINC000840913506 635081646 /nfs/dbraw/zinc/08/16/46/635081646.db2.gz GNZKNYZQPWGQND-UHFFFAOYSA-N 1 1 296.842 3.128 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c(Cl)c1 ZINC000840943313 635088656 /nfs/dbraw/zinc/08/86/56/635088656.db2.gz LHDZKXHGKQNEAM-GOEBONIOSA-N 1 1 295.810 3.497 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCSC2(CCC2)CC1 ZINC000840954212 635092626 /nfs/dbraw/zinc/09/26/26/635092626.db2.gz FBJMZQGZFIMWBU-UHFFFAOYSA-N 1 1 281.396 3.393 20 10 CGCDMO CC[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@H](O)C(C)C ZINC000840967569 635096305 /nfs/dbraw/zinc/09/63/05/635096305.db2.gz HRWZYCVZGYOPRK-SMDDNHRTSA-N 1 1 289.778 3.070 20 10 CGCDMO CCN(CC)c1ccc(CNC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000841037456 635111325 /nfs/dbraw/zinc/11/13/25/635111325.db2.gz QOUGWZPIQHWKHM-LJQANCHMSA-N 1 1 297.446 3.322 20 10 CGCDMO Cc1ccc(C[N@H+]2CCCC(F)(F)CC2)c(O)c1 ZINC000877652703 635133126 /nfs/dbraw/zinc/13/31/26/635133126.db2.gz LRXCSYBJQKUFTD-UHFFFAOYSA-N 1 1 255.308 3.322 20 10 CGCDMO CCC1([NH+](C)C)CCN(Cc2ccc(C)cc2O)CC1 ZINC000877690321 635148023 /nfs/dbraw/zinc/14/80/23/635148023.db2.gz QUDRJVRKRYUUPS-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO Cc1c(C[N@@H+]2Cc3cccc(O)c3C2)cccc1[N+](=O)[O-] ZINC000877703270 635155052 /nfs/dbraw/zinc/15/50/52/635155052.db2.gz ZDLHYEYJUCESOP-UHFFFAOYSA-N 1 1 284.315 3.125 20 10 CGCDMO Cc1c(C[N@H+]2Cc3cccc(O)c3C2)cccc1[N+](=O)[O-] ZINC000877703270 635155056 /nfs/dbraw/zinc/15/50/56/635155056.db2.gz ZDLHYEYJUCESOP-UHFFFAOYSA-N 1 1 284.315 3.125 20 10 CGCDMO COc1ccc(O)c(C[NH2+][C@@H](CF)c2ccc(F)cc2)c1 ZINC000877758501 635187696 /nfs/dbraw/zinc/18/76/96/635187696.db2.gz FVHTXMHLMYODTD-HNNXBMFYSA-N 1 1 293.313 3.340 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@](C)(C(F)(F)F)C2)c(O)c1 ZINC000877810786 635213491 /nfs/dbraw/zinc/21/34/91/635213491.db2.gz MTPPGRRSBMGANP-ZDUSSCGKSA-N 1 1 273.298 3.475 20 10 CGCDMO Cc1nnc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)s1 ZINC000841753694 635226871 /nfs/dbraw/zinc/22/68/71/635226871.db2.gz NHOGPABUZJJAPP-SSDOTTSWSA-N 1 1 283.784 3.056 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](OC(C)C)C2)c1O ZINC000843413430 635661080 /nfs/dbraw/zinc/66/10/80/635661080.db2.gz IYVGBZOCAIZZAY-CQSZACIVSA-N 1 1 283.799 3.353 20 10 CGCDMO CC[N@@H+](CCSC)Cc1cc(Cl)cc(OC)c1O ZINC000843437554 635676613 /nfs/dbraw/zinc/67/66/13/635676613.db2.gz LKKAFQYFZIYFAN-UHFFFAOYSA-N 1 1 289.828 3.239 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)[C@@H]1CCCOC1 ZINC000844401751 635891631 /nfs/dbraw/zinc/89/16/31/635891631.db2.gz MPKXPGKWYVWVOQ-MRXNPFEDSA-N 1 1 276.424 3.062 20 10 CGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844751695 635959297 /nfs/dbraw/zinc/95/92/97/635959297.db2.gz COYPGHWGKHYHHK-TXEJJXNPSA-N 1 1 297.345 3.092 20 10 CGCDMO CCn1cc(C[N@@H+](Cc2cccc(C)c2O)C(C)C)cn1 ZINC000846054426 636139383 /nfs/dbraw/zinc/13/93/83/636139383.db2.gz AZBXGHWLTKJPGS-UHFFFAOYSA-N 1 1 287.407 3.328 20 10 CGCDMO C[C@@H](CCO)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000846112655 636145671 /nfs/dbraw/zinc/14/56/71/636145671.db2.gz WEXFOWTZRJPKHQ-AWEZNQCLSA-N 1 1 285.387 3.262 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)COCC1CC1)c1ccc(F)cc1O ZINC000846205177 636158490 /nfs/dbraw/zinc/15/84/90/636158490.db2.gz NRMNHPDIFNCMRH-IAQYHMDHSA-N 1 1 281.371 3.387 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2CC3(CCC3)C2)c1 ZINC000846215155 636160149 /nfs/dbraw/zinc/16/01/49/636160149.db2.gz YVFZOXPJMQOQFS-LLVKDONJSA-N 1 1 289.375 3.162 20 10 CGCDMO Cc1nc(C)c(C[N@H+](C)Cc2ccc(N(C)C)cc2)s1 ZINC000130204379 636432337 /nfs/dbraw/zinc/43/23/37/636432337.db2.gz RVMNDVFZPMZIAC-UHFFFAOYSA-N 1 1 289.448 3.458 20 10 CGCDMO COCc1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000882883615 636447345 /nfs/dbraw/zinc/44/73/45/636447345.db2.gz FVPHRBQFVXUFAV-UHFFFAOYSA-N 1 1 293.313 3.107 20 10 CGCDMO Cc1noc(C)c1C(C)(C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883119268 636545250 /nfs/dbraw/zinc/54/52/50/636545250.db2.gz TXDDWTDEQQUXFS-UHFFFAOYSA-N 1 1 296.317 3.300 20 10 CGCDMO CC(C)[C@H]1C[C@H](C[NH2+]Cc2cc(F)cc(F)c2O)CCO1 ZINC000883134801 636551235 /nfs/dbraw/zinc/55/12/35/636551235.db2.gz JRERWDQHJLVYDZ-IAQYHMDHSA-N 1 1 299.361 3.211 20 10 CGCDMO CCOC(=O)CC[N@@H+](Cc1cc(C)cc(C)c1O)C(C)C ZINC000848502862 636582027 /nfs/dbraw/zinc/58/20/27/636582027.db2.gz YJRNRCHWDOCUFL-UHFFFAOYSA-N 1 1 293.407 3.173 20 10 CGCDMO CCOC(=O)CC[N@@H+](Cc1cc(C)c(C)cc1O)C(C)C ZINC000848502390 636582125 /nfs/dbraw/zinc/58/21/25/636582125.db2.gz RXJMCIKRPFVNCM-UHFFFAOYSA-N 1 1 293.407 3.173 20 10 CGCDMO Cc1ccc([C@H](C)[NH2+]C2(c3ncccn3)CCC2)c(O)c1 ZINC000883311665 636661867 /nfs/dbraw/zinc/66/18/67/636661867.db2.gz IJHHWHBBHSUGBA-ZDUSSCGKSA-N 1 1 283.375 3.221 20 10 CGCDMO CCc1cccc(C[N@@H+](C)Cc2cccc(O)c2)c1O ZINC000848876447 636669612 /nfs/dbraw/zinc/66/96/12/636669612.db2.gz JMZBYRFEMRLIGF-UHFFFAOYSA-N 1 1 271.360 3.292 20 10 CGCDMO CCc1cccc(CNc2[nH+]c(C)ccc2OC)c1O ZINC000848899489 636680511 /nfs/dbraw/zinc/68/05/11/636680511.db2.gz OXPWIFZLBMJGAD-UHFFFAOYSA-N 1 1 272.348 3.279 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@H]2c2ncc[nH]2)c1O ZINC000848903399 636682724 /nfs/dbraw/zinc/68/27/24/636682724.db2.gz RWCGNKMBLIKOLG-AWEZNQCLSA-N 1 1 271.364 3.015 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@H](OC)C(C)(C)C2)c1O ZINC000848915786 636689613 /nfs/dbraw/zinc/68/96/13/636689613.db2.gz LZQTVTZQQQIAGI-HNNXBMFYSA-N 1 1 277.408 3.202 20 10 CGCDMO CCc1cccc(C[N@@H+](C)[C@@H](CO)c2ccccc2)c1O ZINC000848916322 636689656 /nfs/dbraw/zinc/68/96/56/636689656.db2.gz SSFHYLZFWKOOMY-KRWDZBQOSA-N 1 1 285.387 3.120 20 10 CGCDMO COc1cccc(C[N@H+]2CCCc3ccccc3C2)c1O ZINC000133967214 636991186 /nfs/dbraw/zinc/99/11/86/636991186.db2.gz MHFWVDALDVUSLT-UHFFFAOYSA-N 1 1 283.371 3.349 20 10 CGCDMO CCOc1ccc(NCc2c(O)cccc2OC)[nH+]c1C ZINC000850411161 637053049 /nfs/dbraw/zinc/05/30/49/637053049.db2.gz PJKOUGGIWDJNBP-UHFFFAOYSA-N 1 1 288.347 3.115 20 10 CGCDMO CC[C@H]([NH2+]CCc1ccoc1)c1ccc(F)cc1O ZINC000850532534 637109514 /nfs/dbraw/zinc/10/95/14/637109514.db2.gz VIHVHMISMXNONA-AWEZNQCLSA-N 1 1 263.312 3.408 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C(C)C)C2CC2)c1 ZINC000850553861 637119462 /nfs/dbraw/zinc/11/94/62/637119462.db2.gz AGYPFKGNEABPOJ-BDJLRTHQSA-N 1 1 291.391 3.264 20 10 CGCDMO C[C@H]([NH2+]CC1SCCS1)c1cc(F)cc(F)c1O ZINC000850559471 637123527 /nfs/dbraw/zinc/12/35/27/637123527.db2.gz BQGXFYKCPVNADW-ZETCQYMHSA-N 1 1 291.388 3.127 20 10 CGCDMO C[N@@H+](CC(=O)c1c[nH]c2ccccc12)Cc1ccccc1O ZINC000109773553 637266923 /nfs/dbraw/zinc/26/69/23/637266923.db2.gz JBRQVRFOHXCXBY-UHFFFAOYSA-N 1 1 294.354 3.188 20 10 CGCDMO C[N@@H+](CCC1CCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000851717491 637474091 /nfs/dbraw/zinc/47/40/91/637474091.db2.gz MEBQBZYNTXGGNE-UHFFFAOYSA-N 1 1 288.435 3.145 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1c(O)cccc1F ZINC000886489448 637539260 /nfs/dbraw/zinc/53/92/60/637539260.db2.gz IXNGJDJZTPJOFI-WDEREUQCSA-N 1 1 260.312 3.338 20 10 CGCDMO C[C@@H]([NH2+]CCSC(F)(F)F)c1c(O)cccc1F ZINC000886508618 637546150 /nfs/dbraw/zinc/54/61/50/637546150.db2.gz HNSMSOBCFUBGOM-SSDOTTSWSA-N 1 1 283.290 3.435 20 10 CGCDMO C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1c(O)cccc1F ZINC000886522735 637551210 /nfs/dbraw/zinc/55/12/10/637551210.db2.gz PZXWGYKLXMXBRG-ABAIWWIYSA-N 1 1 281.371 3.123 20 10 CGCDMO C[C@@H]([NH2+]CC1CCSCC1)c1c(O)cccc1F ZINC000886526611 637552836 /nfs/dbraw/zinc/55/28/36/637552836.db2.gz OPDCYIUWYPDMTH-SNVBAGLBSA-N 1 1 269.385 3.325 20 10 CGCDMO C[C@H]([NH2+]CCc1ccc(Cl)nc1)c1c(O)cccc1F ZINC000886541507 637568586 /nfs/dbraw/zinc/56/85/86/637568586.db2.gz XHHYKKNZEYPTDH-JTQLQIEISA-N 1 1 294.757 3.473 20 10 CGCDMO CO[C@H](CC[NH2+][C@@H](C)c1c(O)cccc1F)C(F)(F)F ZINC000886596982 637598155 /nfs/dbraw/zinc/59/81/55/637598155.db2.gz STEAKZBNJVAYHV-GZMMTYOYSA-N 1 1 295.276 3.149 20 10 CGCDMO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2c(O)cccc2F)C12CCC2 ZINC000886624799 637614365 /nfs/dbraw/zinc/61/43/65/637614365.db2.gz AEHRWDWKRFCQHG-LERXQTSPSA-N 1 1 279.355 3.140 20 10 CGCDMO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2c(O)cccc2F)C12CCC2 ZINC000886624798 637615332 /nfs/dbraw/zinc/61/53/32/637615332.db2.gz AEHRWDWKRFCQHG-DDTOSNHZSA-N 1 1 279.355 3.140 20 10 CGCDMO Cc1ccncc1CC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886636339 637621319 /nfs/dbraw/zinc/62/13/19/637621319.db2.gz LSHSFQSRLRKNHP-GFCCVEGCSA-N 1 1 274.339 3.128 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(C)c(C)cc2O)C[C@H](C)O1 ZINC000111167227 637783574 /nfs/dbraw/zinc/78/35/74/637783574.db2.gz VORMVXCREQSOSP-ZFWWWQNUSA-N 1 1 263.381 3.008 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CC[C@H]1CC1(F)F ZINC000856802579 638392174 /nfs/dbraw/zinc/39/21/74/638392174.db2.gz LQVCDFPOWSUVLZ-ZETCQYMHSA-N 1 1 279.689 3.320 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)Cc1c(F)cncc1F ZINC000929753801 638947133 /nfs/dbraw/zinc/94/71/33/638947133.db2.gz WIRKLQDNXPTCEB-UHFFFAOYSA-N 1 1 292.329 3.478 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)Cc1c(F)cncc1F ZINC000929753801 638947135 /nfs/dbraw/zinc/94/71/35/638947135.db2.gz WIRKLQDNXPTCEB-UHFFFAOYSA-N 1 1 292.329 3.478 20 10 CGCDMO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2O)C1 ZINC000858592580 638998896 /nfs/dbraw/zinc/99/88/96/638998896.db2.gz GJPJMWJWDIWENQ-JBLDHEPKSA-N 1 1 269.772 3.121 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000156100685 639964707 /nfs/dbraw/zinc/96/47/07/639964707.db2.gz AYLCMDWEFMAEBB-WFASDCNBSA-N 1 1 261.365 3.165 20 10 CGCDMO CCC[N@@H+](CCCSC)Cc1ccccc1O ZINC000076074161 640173388 /nfs/dbraw/zinc/17/33/88/640173388.db2.gz MZNGLVTZOQCVFH-UHFFFAOYSA-N 1 1 253.411 3.357 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000091899968 640726006 /nfs/dbraw/zinc/72/60/06/640726006.db2.gz BFGWBDVZAKTZNT-WMZOPIPTSA-N 1 1 290.451 3.126 20 10 CGCDMO C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1ccccc1O ZINC000091974749 640727665 /nfs/dbraw/zinc/72/76/65/640727665.db2.gz QFCANGNXURURAR-UHFFFAOYSA-N 1 1 293.370 3.414 20 10 CGCDMO COCC[N@@H+](Cc1ccco1)Cc1cc(Cl)ccc1O ZINC000092562023 640741108 /nfs/dbraw/zinc/74/11/08/640741108.db2.gz PZBCCTBAQKEPNP-UHFFFAOYSA-N 1 1 295.766 3.287 20 10 CGCDMO CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC001254720985 806487087 /nfs/dbraw/zinc/48/70/87/806487087.db2.gz FGJVCEOTZTWQGH-NWDGAFQWSA-N 1 1 298.377 3.053 20 10 CGCDMO COc1ccc(CNC[C@H](C)C[NH+]2CCCCC2)cc1C ZINC000037997643 798883631 /nfs/dbraw/zinc/88/36/31/798883631.db2.gz LXQUZYKNKGCSPR-HNNXBMFYSA-N 1 1 290.451 3.215 20 10 CGCDMO Oc1c(F)cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403714248 799570240 /nfs/dbraw/zinc/57/02/40/799570240.db2.gz XBSNNJARQWIVPW-YOGCLGLASA-N 1 1 267.369 3.048 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCc1ccccc1 ZINC000708482118 799990203 /nfs/dbraw/zinc/99/02/03/799990203.db2.gz WGKHVGBFKNAXSV-UHFFFAOYSA-N 1 1 263.287 3.003 20 10 CGCDMO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(N)cc2)C1 ZINC000709622010 800010402 /nfs/dbraw/zinc/01/04/02/800010402.db2.gz NSQNTYZPFJIFOM-GFCCVEGCSA-N 1 1 258.287 3.043 20 10 CGCDMO CCC1([NH+](C)C)CCN(Cc2cccc(Cl)c2O)CC1 ZINC000715192890 800132972 /nfs/dbraw/zinc/13/29/72/800132972.db2.gz AGRSYLIXOKOVFK-UHFFFAOYSA-N 1 1 296.842 3.352 20 10 CGCDMO CCc1cccc(C[NH2+]Cc2ncc(Cl)s2)c1O ZINC000719400025 800238605 /nfs/dbraw/zinc/23/86/05/800238605.db2.gz HQQDLFMHVIERTR-UHFFFAOYSA-N 1 1 282.796 3.354 20 10 CGCDMO Cc1cc(C[N@@H+]2CCO[C@@H](CF)C2)c(O)c(C(C)(C)C)c1 ZINC000840171873 800496502 /nfs/dbraw/zinc/49/65/02/800496502.db2.gz QKAGGQITDRIKGM-AWEZNQCLSA-N 1 1 295.398 3.168 20 10 CGCDMO Cc1cc(C[N@H+]2CCO[C@@H](CF)C2)c(O)c(C(C)(C)C)c1 ZINC000840171873 800496504 /nfs/dbraw/zinc/49/65/04/800496504.db2.gz QKAGGQITDRIKGM-AWEZNQCLSA-N 1 1 295.398 3.168 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1c(O)cccc1F ZINC000886645043 800546831 /nfs/dbraw/zinc/54/68/31/800546831.db2.gz QISHBCTWANREKD-JBLDHEPKSA-N 1 1 255.308 3.463 20 10 CGCDMO CO[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CC[C@@H]1C ZINC001116721088 802401720 /nfs/dbraw/zinc/40/17/20/802401720.db2.gz PVQXGGIPXSABGR-YJBOKZPZSA-N 1 1 288.435 3.144 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@@H](F)C2)c1 ZINC001118177425 802534795 /nfs/dbraw/zinc/53/47/95/802534795.db2.gz RAOBCASOJQOZBC-UHTWSYAYSA-N 1 1 295.354 3.110 20 10 CGCDMO C[N@H+](Cc1cccc(F)c1)Cc1c(O)cccc1F ZINC001137831591 803777662 /nfs/dbraw/zinc/77/76/62/803777662.db2.gz GSTPPRJUZMAAOX-UHFFFAOYSA-N 1 1 263.287 3.302 20 10 CGCDMO C[N@@H+](Cc1cccc(F)c1)Cc1c(O)cccc1F ZINC001137831591 803777667 /nfs/dbraw/zinc/77/76/67/803777667.db2.gz GSTPPRJUZMAAOX-UHFFFAOYSA-N 1 1 263.287 3.302 20 10 CGCDMO CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c([O-])cccc2F)CC1 ZINC001137837616 803781153 /nfs/dbraw/zinc/78/11/53/803781153.db2.gz NVJBYXIIPHRLKK-UHFFFAOYSA-N 1 1 294.414 3.084 20 10 CGCDMO COc1cccc2c1CC[N@@H+](Cc1c([O-])cccc1F)C2 ZINC001137840405 803781285 /nfs/dbraw/zinc/78/12/85/803781285.db2.gz ZLEUOYTYVGNHAD-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO COc1cccc2c1CC[N@H+](Cc1c(O)cccc1F)C2 ZINC001137840405 803781291 /nfs/dbraw/zinc/78/12/91/803781291.db2.gz ZLEUOYTYVGNHAD-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO COc1cccc2c1CC[N@@H+](Cc1c(O)cccc1F)C2 ZINC001137840405 803781296 /nfs/dbraw/zinc/78/12/96/803781296.db2.gz ZLEUOYTYVGNHAD-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001137855847 803786094 /nfs/dbraw/zinc/78/60/94/803786094.db2.gz HTHYSMIMTRFTTQ-GOSISDBHSA-N 1 1 284.403 3.315 20 10 CGCDMO Cc1cc(C[N@H+]2C[C@@H](C)C[C@H]2CO)c(C)n1-c1ccccc1 ZINC001137854492 803786275 /nfs/dbraw/zinc/78/62/75/803786275.db2.gz YURZWKBJMFARNW-LIRRHRJNSA-N 1 1 298.430 3.297 20 10 CGCDMO CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccc(F)c2[O-])CC1 ZINC001138127887 803864527 /nfs/dbraw/zinc/86/45/27/803864527.db2.gz UMIPQQKHTZXVCK-UHFFFAOYSA-N 1 1 294.414 3.084 20 10 CGCDMO O=C(c1ccccc1)[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC001138131009 803866219 /nfs/dbraw/zinc/86/62/19/803866219.db2.gz NGTGQQURKQBKNK-HNNXBMFYSA-N 1 1 299.345 3.236 20 10 CGCDMO O=C(c1ccccc1)[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC001138131009 803866226 /nfs/dbraw/zinc/86/62/26/803866226.db2.gz NGTGQQURKQBKNK-HNNXBMFYSA-N 1 1 299.345 3.236 20 10 CGCDMO Cc1c(C[N@H+]2CCC[C@@]3(CCOC3)C2)c2ccccc2n1C ZINC001138253910 803881481 /nfs/dbraw/zinc/88/14/81/803881481.db2.gz KFVYYFFDDOMWGP-LJQANCHMSA-N 1 1 298.430 3.489 20 10 CGCDMO Cc1c(C[N@@H+](C)[C@H]2CCCOC2)c2ccccc2n1C ZINC001138259845 803885018 /nfs/dbraw/zinc/88/50/18/803885018.db2.gz PGHNDPXWGJVTEX-AWEZNQCLSA-N 1 1 272.392 3.098 20 10 CGCDMO Cc1c(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c2ccccc2n1C ZINC001138258359 803885066 /nfs/dbraw/zinc/88/50/66/803885066.db2.gz QWUGBVWENXHVEA-XEZPLFJOSA-N 1 1 272.367 3.419 20 10 CGCDMO CCCO[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138358404 803902367 /nfs/dbraw/zinc/90/23/67/803902367.db2.gz QLNFBIHHMYBPKT-QGZVFWFLSA-N 1 1 288.435 3.070 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CC[C@@H](C(F)(F)F)C3)ccc21 ZINC001138357156 803903481 /nfs/dbraw/zinc/90/34/81/803903481.db2.gz DOEAKWBOIBLZMT-CQSZACIVSA-N 1 1 298.352 3.453 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](C)C2)c(OC)c1 ZINC001138386104 803912954 /nfs/dbraw/zinc/91/29/54/803912954.db2.gz HGPFZVOJPLIPIN-AWEZNQCLSA-N 1 1 276.424 3.383 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C(C)C)c(OC)c1 ZINC001138388604 803913691 /nfs/dbraw/zinc/91/36/91/803913691.db2.gz YZYGMWGIRPSYCB-UHFFFAOYSA-N 1 1 264.413 3.382 20 10 CGCDMO CC[N@@H+](Cc1cnc2cccnc2c1)Cc1ccccc1O ZINC001139743829 804274369 /nfs/dbraw/zinc/27/43/69/804274369.db2.gz QXDOEXLHXFARKQ-UHFFFAOYSA-N 1 1 293.370 3.358 20 10 CGCDMO CCCC[C@H]1C[C@@H](NCc2ccc(OC)c(C)c2)CC[NH2+]1 ZINC001246346559 804298338 /nfs/dbraw/zinc/29/83/38/804298338.db2.gz NVJJIVGJFHTPDO-IRXDYDNUSA-N 1 1 290.451 3.404 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(O)cc2F)cc1 ZINC001140130018 804382625 /nfs/dbraw/zinc/38/26/25/804382625.db2.gz QYMVZBKBYLPOEG-UHFFFAOYSA-N 1 1 288.366 3.229 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@H](c3cccnc3)C2)c1O ZINC001140179329 804395917 /nfs/dbraw/zinc/39/59/17/804395917.db2.gz HTVUKLGIOYKCIX-INIZCTEOSA-N 1 1 282.387 3.394 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+](C)CCc2ccccn2)c1O ZINC001140179941 804396732 /nfs/dbraw/zinc/39/67/32/804396732.db2.gz KOPZTWISNFOORX-UHFFFAOYSA-N 1 1 270.376 3.079 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001140338042 804418321 /nfs/dbraw/zinc/41/83/21/804418321.db2.gz SLOBJPSUDKNRGR-XHDPSFHLSA-N 1 1 281.783 3.047 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC001140338995 804419877 /nfs/dbraw/zinc/41/98/77/804419877.db2.gz QLMADDPWGBTWMY-OAHLLOKOSA-N 1 1 281.783 3.048 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2O)C2(CC2)C1 ZINC001140464352 804442194 /nfs/dbraw/zinc/44/21/94/804442194.db2.gz MJUKBLIPMUYOFO-SNVBAGLBSA-N 1 1 251.757 3.420 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](Oc3ccncc3C)C2)c1 ZINC001140624319 804478598 /nfs/dbraw/zinc/47/85/98/804478598.db2.gz QNRDJIDQDQIZAB-INIZCTEOSA-N 1 1 298.386 3.057 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H]3CC[C@@H]2C3)c(O)c1 ZINC001140856009 804533869 /nfs/dbraw/zinc/53/38/69/804533869.db2.gz ORIFQTSTWKOEGW-DZGCQCFKSA-N 1 1 274.408 3.223 20 10 CGCDMO COC[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1Cl ZINC001140921541 804548938 /nfs/dbraw/zinc/54/89/38/804548938.db2.gz HKYSTFFJXKFSLM-CQSZACIVSA-N 1 1 282.815 3.017 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC3(COC3)C2)c(Cl)c1 ZINC001140922630 804549340 /nfs/dbraw/zinc/54/93/40/804549340.db2.gz XEZITTMRQSMIOL-UHFFFAOYSA-N 1 1 294.826 3.018 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC3(CCCC3)C2)c(OC)c1 ZINC001141028417 804574861 /nfs/dbraw/zinc/57/48/61/804574861.db2.gz NQTPSDTXBRZCDT-UHFFFAOYSA-N 1 1 291.391 3.176 20 10 CGCDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(O)ccc1O ZINC001141161323 804601361 /nfs/dbraw/zinc/60/13/61/804601361.db2.gz DTCJOLWLBYJTGV-UHFFFAOYSA-N 1 1 287.359 3.129 20 10 CGCDMO C[N@@H+](Cc1cc(O)ccc1O)[C@H]1CCc2ccccc21 ZINC001141162889 804602203 /nfs/dbraw/zinc/60/22/03/804602203.db2.gz JIWDBQSVYISANJ-INIZCTEOSA-N 1 1 269.344 3.217 20 10 CGCDMO COc1ccccc1C[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001142521069 804731445 /nfs/dbraw/zinc/73/14/45/804731445.db2.gz WJYAKUBWJHJLPE-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO COc1ccccc1C[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001142521069 804731451 /nfs/dbraw/zinc/73/14/51/804731451.db2.gz WJYAKUBWJHJLPE-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c1O ZINC001143104501 804801229 /nfs/dbraw/zinc/80/12/29/804801229.db2.gz UGBYXYKALIUZQR-CABCVRRESA-N 1 1 289.419 3.158 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)CC[C@@]1(C)O ZINC001143104519 804801265 /nfs/dbraw/zinc/80/12/65/804801265.db2.gz USLWGZIFHAAIFM-FZKQIMNGSA-N 1 1 291.435 3.283 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(C)nc1N ZINC001143207456 804820814 /nfs/dbraw/zinc/82/08/14/804820814.db2.gz XSHPHSFMZPBWJK-UHFFFAOYSA-N 1 1 298.434 3.060 20 10 CGCDMO CN(C)c1ccc(C[N@H+](C)Cc2ncn3ccccc23)cc1 ZINC001144626069 805017799 /nfs/dbraw/zinc/01/77/99/805017799.db2.gz XVLNFLDXJLHADE-UHFFFAOYSA-N 1 1 294.402 3.032 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ncn3ccccc23)cc1 ZINC001144626069 805017806 /nfs/dbraw/zinc/01/78/06/805017806.db2.gz XVLNFLDXJLHADE-UHFFFAOYSA-N 1 1 294.402 3.032 20 10 CGCDMO CN(C)c1ccc(CN(C)Cc2[nH+]cn3ccccc23)cc1 ZINC001144626069 805017815 /nfs/dbraw/zinc/01/78/15/805017815.db2.gz XVLNFLDXJLHADE-UHFFFAOYSA-N 1 1 294.402 3.032 20 10 CGCDMO CN(C)c1cc(F)cc(C[N@@H+](C)Cc2ccccc2O)c1 ZINC001249958048 805324287 /nfs/dbraw/zinc/32/42/87/805324287.db2.gz GHPSBNNFKMYYQO-UHFFFAOYSA-N 1 1 288.366 3.229 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c(Cl)c1 ZINC001261366863 807739536 /nfs/dbraw/zinc/73/95/36/807739536.db2.gz IIHBQQIVEBGMQS-BLLLJJGKSA-N 1 1 295.810 3.355 20 10 CGCDMO CC(C)COCC[C@@H](C)[N@H+]1CCc2cccc(O)c2C1 ZINC001172485633 808346858 /nfs/dbraw/zinc/34/68/58/808346858.db2.gz YBTXADCSYJFGCY-CQSZACIVSA-N 1 1 277.408 3.202 20 10 CGCDMO CO[C@@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001172951786 808494261 /nfs/dbraw/zinc/49/42/61/808494261.db2.gz TYJLSVYLZFHONN-IAGOWNOFSA-N 1 1 276.424 3.142 20 10 CGCDMO COc1ccc(N2CCC3(CCC[N@@H+](C)C3)CC2)cc1 ZINC001276924731 809045990 /nfs/dbraw/zinc/04/59/90/809045990.db2.gz OAYFNDOWNSCTPX-UHFFFAOYSA-N 1 1 274.408 3.007 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)c1 ZINC001180664764 810017163 /nfs/dbraw/zinc/01/71/63/810017163.db2.gz JDVKNPTVPZZJLP-DYVFJYSZSA-N 1 1 298.386 3.379 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC001183371724 810146855 /nfs/dbraw/zinc/14/68/55/810146855.db2.gz SAJDFVQTJBGYQO-HOTGVXAUSA-N 1 1 290.476 3.246 20 10 CGCDMO COc1ccc(C[N@H+]2CCCC[C@](C)(F)C2)c(O)c1 ZINC001203620832 812409532 /nfs/dbraw/zinc/40/95/32/812409532.db2.gz JLMKWGRDFNJCRZ-HNNXBMFYSA-N 1 1 267.344 3.115 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC001203871327 812477220 /nfs/dbraw/zinc/47/72/20/812477220.db2.gz GMQQRIJDMRXLGX-IINYFYTJSA-N 1 1 299.773 3.232 20 10 CGCDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(O)c(O)c1 ZINC001203878557 812478755 /nfs/dbraw/zinc/47/87/55/812478755.db2.gz CEHFXAZOGRXTMO-UHFFFAOYSA-N 1 1 287.359 3.129 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(O)c(O)c2)Cc2ccccc21 ZINC001203875149 812478843 /nfs/dbraw/zinc/47/88/43/812478843.db2.gz IWZLBWTUVUMZLU-GFCCVEGCSA-N 1 1 269.344 3.217 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2CCC(=O)C(C)(C)C2)cc1 ZINC001203942390 812497911 /nfs/dbraw/zinc/49/79/11/812497911.db2.gz OCXXUHBJEBXGMN-UHFFFAOYSA-N 1 1 288.435 3.334 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC(=O)C(C)(C)C2)cc1 ZINC001203942390 812497915 /nfs/dbraw/zinc/49/79/15/812497915.db2.gz OCXXUHBJEBXGMN-UHFFFAOYSA-N 1 1 288.435 3.334 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@]3(CCO3)C2)cc1 ZINC001203942379 812498004 /nfs/dbraw/zinc/49/80/04/812498004.db2.gz NHJVRPUAEDGAMA-SFHVURJKSA-N 1 1 288.435 3.288 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C)[C@](C)(O)C2)cc1 ZINC001203940680 812498151 /nfs/dbraw/zinc/49/81/51/812498151.db2.gz UTWHIVDYKOBFAL-CRAIPNDOSA-N 1 1 290.451 3.126 20 10 CGCDMO CC[N@@H+](Cc1cccc(C)n1)Cc1ccccc1O ZINC001204070959 812540176 /nfs/dbraw/zinc/54/01/76/812540176.db2.gz WFKABCCFGNPJOO-UHFFFAOYSA-N 1 1 256.349 3.118 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C2CC2)C2COC2)c2ccccc21 ZINC001204240014 812581270 /nfs/dbraw/zinc/58/12/70/812581270.db2.gz GBCGTOZIYCNSDP-UHFFFAOYSA-N 1 1 296.414 3.269 20 10 CGCDMO Oc1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)c(O)c1 ZINC001204276561 812595035 /nfs/dbraw/zinc/59/50/35/812595035.db2.gz NFDGCFXHAXVXJS-AWEZNQCLSA-N 1 1 269.344 3.087 20 10 CGCDMO Cn1cc(C[N@H+]2CCc3cccc(O)c3C2)c2ccccc21 ZINC001204319277 812611635 /nfs/dbraw/zinc/61/16/35/812611635.db2.gz MUVIWIRQZGDFBZ-UHFFFAOYSA-N 1 1 292.382 3.442 20 10 CGCDMO c1cc2c(cn1)CC[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001204320187 812611868 /nfs/dbraw/zinc/61/18/68/812611868.db2.gz NZDACJYLAMMMGT-UHFFFAOYSA-N 1 1 293.414 3.240 20 10 CGCDMO C[C@]1(O)CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204323749 812612526 /nfs/dbraw/zinc/61/25/26/812612526.db2.gz IVKIMTBRQUBQFD-SFHVURJKSA-N 1 1 288.435 3.024 20 10 CGCDMO CC(C)[C@@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC001204974784 812803450 /nfs/dbraw/zinc/80/34/50/812803450.db2.gz BOEKOQPGYWUPLV-XFHJGTJQSA-N 1 1 288.435 3.123 20 10 CGCDMO CC(C)[C@@H]1C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC001204974784 812803458 /nfs/dbraw/zinc/80/34/58/812803458.db2.gz BOEKOQPGYWUPLV-XFHJGTJQSA-N 1 1 288.435 3.123 20 10 CGCDMO C[C@@H]1CC[NH2+]CCN1Cc1ccc(N(C)C)c2ccccc12 ZINC001205325196 812956550 /nfs/dbraw/zinc/95/65/50/812956550.db2.gz LOCPBSYQTICPCS-OAHLLOKOSA-N 1 1 297.446 3.090 20 10 CGCDMO Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1Cl ZINC001205637728 813036565 /nfs/dbraw/zinc/03/65/65/813036565.db2.gz IIFZHFUUNDRVQE-AAEUAGOBSA-N 1 1 296.842 3.161 20 10 CGCDMO Cc1cc([O-])c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1Cl ZINC001205637728 813036575 /nfs/dbraw/zinc/03/65/75/813036575.db2.gz IIFZHFUUNDRVQE-AAEUAGOBSA-N 1 1 296.842 3.161 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ncccc1C ZINC001205813821 813091979 /nfs/dbraw/zinc/09/19/79/813091979.db2.gz KCOHWZSSHKEDQD-UHFFFAOYSA-N 1 1 283.419 3.478 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cccc(F)c1O)[C@H]1CC1(C)C ZINC001206335437 813294938 /nfs/dbraw/zinc/29/49/38/813294938.db2.gz HOIHNZSANOXYBT-DGCLKSJQSA-N 1 1 251.345 3.446 20 10 CGCDMO CC[C@@]1(O)CCC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC001207103137 813487133 /nfs/dbraw/zinc/48/71/33/813487133.db2.gz VSALTSHNGSVLPM-OAHLLOKOSA-N 1 1 283.799 3.091 20 10 CGCDMO CC1(C)CC[C@H](CO)[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001207302507 813537916 /nfs/dbraw/zinc/53/79/16/813537916.db2.gz PXGMPUGQOUEIIH-CYBMUJFWSA-N 1 1 283.799 3.029 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@@](C)(O)C2)cc1 ZINC001209516587 814070891 /nfs/dbraw/zinc/07/08/91/814070891.db2.gz BGCDICGAOXMDEB-LJQANCHMSA-N 1 1 298.430 3.441 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2c[nH]c3cccnc23)cc1 ZINC001231492882 818112471 /nfs/dbraw/zinc/11/24/71/818112471.db2.gz PSNCTVLHCSFZIT-UHFFFAOYSA-N 1 1 294.402 3.261 20 10 CGCDMO CC[N@@H+](Cc1c[nH]c2cccnc12)Cc1ccccc1O ZINC001231492377 818112718 /nfs/dbraw/zinc/11/27/18/818112718.db2.gz MZNDBZDYDGPCIE-UHFFFAOYSA-N 1 1 281.359 3.291 20 10 CGCDMO Cc1cccc(C[N@@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c1O ZINC001231593049 818131571 /nfs/dbraw/zinc/13/15/71/818131571.db2.gz XRPIUCLKIHAZAP-IRXDYDNUSA-N 1 1 293.366 3.113 20 10 CGCDMO CC[N@@H+](Cc1cccnc1)Cc1cccc(C)c1O ZINC001231593263 818131906 /nfs/dbraw/zinc/13/19/06/818131906.db2.gz SHNOXCMTCADCCF-UHFFFAOYSA-N 1 1 256.349 3.118 20 10 CGCDMO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1ccc3ccccc3c1O)C2 ZINC001231881344 818199949 /nfs/dbraw/zinc/19/99/49/818199949.db2.gz VQUCTTMSOCAYLQ-YJBOKZPZSA-N 1 1 283.371 3.299 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)CCc2ccccc2)c(O)c1 ZINC001232834781 818452040 /nfs/dbraw/zinc/45/20/40/818452040.db2.gz MKXOVZJYZMDQPS-UHFFFAOYSA-N 1 1 284.403 3.133 20 10 CGCDMO CC[N@@H+](Cc1ccccc1)Cc1ccc(N(C)C)cc1O ZINC001232834112 818452251 /nfs/dbraw/zinc/45/22/51/818452251.db2.gz GVIHXWAQRMBHDA-UHFFFAOYSA-N 1 1 284.403 3.480 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)c(O)c1 ZINC001232839231 818453333 /nfs/dbraw/zinc/45/33/33/818453333.db2.gz NLAQYNHTIUJNAU-QGZVFWFLSA-N 1 1 297.402 3.190 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCCc3cc(O)c(O)cc3C2)cn1 ZINC001233012983 818501961 /nfs/dbraw/zinc/50/19/61/818501961.db2.gz RBVJKUZDSRDUSM-UHFFFAOYSA-N 1 1 298.386 3.058 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1cc(Cl)ncc1O ZINC001233037765 818508824 /nfs/dbraw/zinc/50/88/24/818508824.db2.gz FCPAXZDFIPTYLD-UHFFFAOYSA-N 1 1 292.766 3.168 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCC(=O)[C@@H](F)CC2)c1 ZINC001233284108 818565400 /nfs/dbraw/zinc/56/54/00/818565400.db2.gz IVBBAFTXIGDQDE-AWEZNQCLSA-N 1 1 293.382 3.193 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC(=O)[C@@H](F)CC2)c1 ZINC001233284108 818565409 /nfs/dbraw/zinc/56/54/09/818565409.db2.gz IVBBAFTXIGDQDE-AWEZNQCLSA-N 1 1 293.382 3.193 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC001233284009 818565436 /nfs/dbraw/zinc/56/54/36/818565436.db2.gz DQZDQWWEPPHBKD-GASCZTMLSA-N 1 1 275.392 3.053 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001233331880 818582637 /nfs/dbraw/zinc/58/26/37/818582637.db2.gz ONWIQIAWAGZNCZ-LLVKDONJSA-N 1 1 295.251 3.240 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001233331880 818582643 /nfs/dbraw/zinc/58/26/43/818582643.db2.gz ONWIQIAWAGZNCZ-LLVKDONJSA-N 1 1 295.251 3.240 20 10 CGCDMO C[N@@H+](Cc1c(O)ccc(F)c1F)CC1CC(F)(F)C1 ZINC001233335444 818588321 /nfs/dbraw/zinc/58/83/21/818588321.db2.gz VOCTVEXRMNWRHD-UHFFFAOYSA-N 1 1 277.261 3.148 20 10 CGCDMO C[N@H+](Cc1c(O)ccc(F)c1F)CC1CC(F)(F)C1 ZINC001233335444 818588327 /nfs/dbraw/zinc/58/83/27/818588327.db2.gz VOCTVEXRMNWRHD-UHFFFAOYSA-N 1 1 277.261 3.148 20 10 CGCDMO COC[C@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233451894 818622902 /nfs/dbraw/zinc/62/29/02/818622902.db2.gz CTBXDJHUSODJOO-GFCCVEGCSA-N 1 1 289.297 3.022 20 10 CGCDMO Oc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H]1CF ZINC001233455353 818623425 /nfs/dbraw/zinc/62/34/25/818623425.db2.gz HDXCMLHDSQNARO-LLVKDONJSA-N 1 1 277.261 3.345 20 10 CGCDMO Oc1c(C[N@@H+]2CCC[C@@H](O)C2)cccc1-c1ccccc1 ZINC001234992153 818969426 /nfs/dbraw/zinc/96/94/26/818969426.db2.gz NRFQVGOXPQKQCO-MRXNPFEDSA-N 1 1 283.371 3.016 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2O)CCC1=O ZINC001234992561 818969824 /nfs/dbraw/zinc/96/98/24/818969824.db2.gz PQFKXVFONUQZEW-CQSZACIVSA-N 1 1 295.382 3.470 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2O)CCO1 ZINC001234998139 818972785 /nfs/dbraw/zinc/97/27/85/818972785.db2.gz GANSKVDPGPDXIO-CQSZACIVSA-N 1 1 283.371 3.280 20 10 CGCDMO Oc1c(C[N@@H+]2CCO[C@H]3C[C@H]32)cccc1-c1ccccc1 ZINC001234999287 818974011 /nfs/dbraw/zinc/97/40/11/818974011.db2.gz RKFCMMNGJXJFSJ-SJORKVTESA-N 1 1 281.355 3.032 20 10 CGCDMO Oc1c(C[N@H+]2CCO[C@H]3C[C@H]32)cccc1-c1ccccc1 ZINC001234999287 818974019 /nfs/dbraw/zinc/97/40/19/818974019.db2.gz RKFCMMNGJXJFSJ-SJORKVTESA-N 1 1 281.355 3.032 20 10 CGCDMO Oc1c(C[N@H+]2CCOCC23CC3)cccc1-c1ccccc1 ZINC001234998526 818974107 /nfs/dbraw/zinc/97/41/07/818974107.db2.gz KZOHFJWCTNNBNH-UHFFFAOYSA-N 1 1 295.382 3.424 20 10 CGCDMO CC(C)OC1C[NH+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235677511 819138367 /nfs/dbraw/zinc/13/83/67/819138367.db2.gz FHSAAADCQCQUQZ-UHFFFAOYSA-N 1 1 277.408 3.299 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CC[C@]3(CCCO3)C2)c(O)c1 ZINC001235683690 819142296 /nfs/dbraw/zinc/14/22/96/819142296.db2.gz TXULJALOBAWRRO-GOSISDBHSA-N 1 1 289.419 3.445 20 10 CGCDMO C[C@H]1CN(Cc2ccc(N(C)C)c3ccccc23)CCC[NH2+]1 ZINC001236094744 819314244 /nfs/dbraw/zinc/31/42/44/819314244.db2.gz ILGCRYIHNWIVHK-HNNXBMFYSA-N 1 1 297.446 3.090 20 10 CGCDMO CCc1ccc(C[N@H+]2CCc3c(O)cccc3C2)c(O)c1 ZINC001236784248 819594738 /nfs/dbraw/zinc/59/47/38/819594738.db2.gz SIJDWXHSDRULFX-UHFFFAOYSA-N 1 1 283.371 3.219 20 10 CGCDMO CCc1ccc(C[N@@H+](CC)CCN(CC)CC)c(O)c1 ZINC001236790287 819595293 /nfs/dbraw/zinc/59/52/93/819595293.db2.gz VFXNLMJBTVVQPL-UHFFFAOYSA-N 1 1 278.440 3.118 20 10 CGCDMO CCc1ccc(C[N@H+](CC)CCN(CC)CC)c(O)c1 ZINC001236790287 819595294 /nfs/dbraw/zinc/59/52/94/819595294.db2.gz VFXNLMJBTVVQPL-UHFFFAOYSA-N 1 1 278.440 3.118 20 10 CGCDMO CCc1ccc(C[N@H+]2CCC[C@@H](CF)C2)c(O)c1 ZINC001236795274 819596410 /nfs/dbraw/zinc/59/64/10/819596410.db2.gz SVTMFZBCCCMEJK-ZDUSSCGKSA-N 1 1 251.345 3.136 20 10 CGCDMO CCc1ccc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)c(O)c1 ZINC001236792887 819597135 /nfs/dbraw/zinc/59/71/35/819597135.db2.gz TUFIBBWQJKOFAX-KRWDZBQOSA-N 1 1 298.386 3.003 20 10 CGCDMO CCc1ccc(C[N@@H+](C)Cc2ccccc2O)c(O)c1 ZINC001236792839 819597860 /nfs/dbraw/zinc/59/78/60/819597860.db2.gz SBGYXKCNTHUKSY-UHFFFAOYSA-N 1 1 271.360 3.292 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC[C@@H]2c2cccnc2)c(O)c1 ZINC001236810395 819604223 /nfs/dbraw/zinc/60/42/23/819604223.db2.gz FNSJQZBZWOXYLQ-QGZVFWFLSA-N 1 1 298.386 3.441 20 10 CGCDMO C[C@H]1CC(=O)CC[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236825663 819608468 /nfs/dbraw/zinc/60/84/68/819608468.db2.gz BCJIIDZAXCEITM-LBPRGKRZSA-N 1 1 269.344 3.099 20 10 CGCDMO C[C@H]1CC(=O)CC[N@H+]1Cc1cc2ccccc2cc1O ZINC001236825663 819608472 /nfs/dbraw/zinc/60/84/72/819608472.db2.gz BCJIIDZAXCEITM-LBPRGKRZSA-N 1 1 269.344 3.099 20 10 CGCDMO COC[C@@H]1CC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236826495 819609587 /nfs/dbraw/zinc/60/95/87/819609587.db2.gz LIABNMWALPSOPU-CYBMUJFWSA-N 1 1 271.360 3.014 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC001236826460 819610060 /nfs/dbraw/zinc/61/00/60/819610060.db2.gz KCRFETJGPHFTJH-SFHVURJKSA-N 1 1 283.371 3.158 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001236834571 819613759 /nfs/dbraw/zinc/61/37/59/819613759.db2.gz AFWOGJWZQSMRLU-CWRNSKLLSA-N 1 1 271.335 3.478 20 10 CGCDMO CC(=O)[C@@H]1CCC[N@H+]1Cc1cc2ccccc2cc1O ZINC001236833220 819613971 /nfs/dbraw/zinc/61/39/71/819613971.db2.gz AZDJSQZXKJHZJW-INIZCTEOSA-N 1 1 269.344 3.099 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC(=O)[C@H](F)CC2)c(O)c1 ZINC001237044191 819649021 /nfs/dbraw/zinc/64/90/21/819649021.db2.gz BJPWXWRUIRYKOS-CQSZACIVSA-N 1 1 279.355 3.019 20 10 CGCDMO CC(C)c1ccc(C[N@@H+]2CCC(=O)[C@H](F)CC2)c(O)c1 ZINC001237044191 819649026 /nfs/dbraw/zinc/64/90/26/819649026.db2.gz BJPWXWRUIRYKOS-CQSZACIVSA-N 1 1 279.355 3.019 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CC(C)(C)C[C@@]2(C)CO)c(O)c1 ZINC001237045835 819650679 /nfs/dbraw/zinc/65/06/79/819650679.db2.gz LJRDOQXSYILYCS-SFHVURJKSA-N 1 1 291.435 3.499 20 10 CGCDMO Cc1cc(C[N@H+](C)Cc2ccc(C(C)C)cc2O)n(C)n1 ZINC001237054363 819653728 /nfs/dbraw/zinc/65/37/28/819653728.db2.gz WTAFFCOUCCVSBX-UHFFFAOYSA-N 1 1 287.407 3.190 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237116138 819671966 /nfs/dbraw/zinc/67/19/66/819671966.db2.gz XVOXUKHAQQGPAF-SECBINFHSA-N 1 1 275.270 3.133 20 10 CGCDMO CCO[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237141785 819676153 /nfs/dbraw/zinc/67/61/53/819676153.db2.gz CILKSNQDWNFYML-GFCCVEGCSA-N 1 1 289.297 3.022 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001237487725 819762589 /nfs/dbraw/zinc/76/25/89/819762589.db2.gz MFWKBZSETGEJGC-NSHDSACASA-N 1 1 255.308 3.178 20 10 CGCDMO COC1C[NH+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237640416 819795677 /nfs/dbraw/zinc/79/56/77/819795677.db2.gz BARUMOUDKNHWQD-UHFFFAOYSA-N 1 1 287.334 3.029 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CC(C)(C)C[C@@]2(C)CO)c1O ZINC001237681746 819805494 /nfs/dbraw/zinc/80/54/94/819805494.db2.gz QGEDHZFGTLTWMF-INIZCTEOSA-N 1 1 297.826 3.337 20 10 CGCDMO C[N@H+](CCc1ccccn1)Cc1cc(F)c(Cl)cc1O ZINC001237947529 819891901 /nfs/dbraw/zinc/89/19/01/819891901.db2.gz QRSVLQQHXHAMJC-UHFFFAOYSA-N 1 1 294.757 3.254 20 10 CGCDMO C[N@@H+](CCc1ccccn1)Cc1cc(F)c(Cl)cc1O ZINC001237947529 819891916 /nfs/dbraw/zinc/89/19/16/819891916.db2.gz QRSVLQQHXHAMJC-UHFFFAOYSA-N 1 1 294.757 3.254 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CCCC[C@H](F)C2)c1O ZINC001238057748 819919114 /nfs/dbraw/zinc/91/91/14/819919114.db2.gz MBUIOLCRKMMOOM-LBPRGKRZSA-N 1 1 255.308 3.164 20 10 CGCDMO Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]2C(C)C)c1O ZINC001238069349 819922272 /nfs/dbraw/zinc/92/22/72/819922272.db2.gz YHVQGIAAGFDHHY-CQSZACIVSA-N 1 1 251.345 3.460 20 10 CGCDMO Cc1cc(F)cc(C[N@@H+](C)Cc2cccnc2C)c1O ZINC001238066821 819923624 /nfs/dbraw/zinc/92/36/24/819923624.db2.gz MJJDBCUMOWKPTO-UHFFFAOYSA-N 1 1 274.339 3.175 20 10 CGCDMO C[N@@H+](Cc1cncc(C2CC2)c1)Cc1ccccc1O ZINC001238187399 819949593 /nfs/dbraw/zinc/94/95/93/819949593.db2.gz AKQZPCCELPQSRC-UHFFFAOYSA-N 1 1 268.360 3.297 20 10 CGCDMO CCOCc1cncc(-c2[nH+]ccc3c2ccn3C)c1 ZINC001238913995 820153064 /nfs/dbraw/zinc/15/30/64/820153064.db2.gz HAODSONWENEOBL-UHFFFAOYSA-N 1 1 267.332 3.172 20 10 CGCDMO C[C@H](C[NH2+]Cc1cc(F)c(F)cc1O)CC(F)F ZINC001474595353 937206651 /nfs/dbraw/zinc/20/66/51/937206651.db2.gz SMENVPKAXSCGGB-ZETCQYMHSA-N 1 1 265.250 3.051 20 10 CGCDMO Cc1ccnc([C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3)C2)c1 ZINC000846970631 928204851 /nfs/dbraw/zinc/20/48/51/928204851.db2.gz RHDLZHXOTIKKRE-KRWDZBQOSA-N 1 1 295.430 3.446 20 10 CGCDMO C[C@H](c1ccncc1)[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001560745269 937237220 /nfs/dbraw/zinc/23/72/20/937237220.db2.gz IVYAYLUTDFJQDB-SNVBAGLBSA-N 1 1 278.302 3.258 20 10 CGCDMO C[C@H](c1ccncc1)[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001560745269 937237223 /nfs/dbraw/zinc/23/72/23/937237223.db2.gz IVYAYLUTDFJQDB-SNVBAGLBSA-N 1 1 278.302 3.258 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCCSC[C@@H]2C)cc1 ZINC001460919545 937553115 /nfs/dbraw/zinc/55/31/15/937553115.db2.gz ZMAXUZLCZNJGIR-AWEZNQCLSA-N 1 1 278.465 3.470 20 10 CGCDMO C[C@H]1C[C@H](C)[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001461858495 937601689 /nfs/dbraw/zinc/60/16/89/937601689.db2.gz GXGWPPZKTHVHCR-QWRGUYRKSA-N 1 1 268.351 3.261 20 10 CGCDMO C[N@@H+](Cc1ccc(O)cc1)Cc1ccc(Cl)cc1O ZINC001462199105 937624513 /nfs/dbraw/zinc/62/45/13/937624513.db2.gz HOZKMHIMNNQUPR-UHFFFAOYSA-N 1 1 277.751 3.383 20 10 CGCDMO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1c(O)cccc1F ZINC001331704759 932714846 /nfs/dbraw/zinc/71/48/46/932714846.db2.gz YSTNPPSYDPBWAY-MNOVXSKESA-N 1 1 297.370 3.302 20 10 CGCDMO Oc1cc(Cl)ccc1C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC001462513450 937646625 /nfs/dbraw/zinc/64/66/25/937646625.db2.gz HQZSXFYNFGXNBI-ZFWWWQNUSA-N 1 1 295.810 3.198 20 10 CGCDMO Cn1c[nH+]c2cc(NCc3ccccc3F)ccc21 ZINC001308313459 933093788 /nfs/dbraw/zinc/09/37/88/933093788.db2.gz HQPJGGHUWROICV-UHFFFAOYSA-N 1 1 255.296 3.325 20 10 CGCDMO COc1ccc(CNCC[C@H](C)[NH+]2CCCCC2)cc1C ZINC001308367079 933102467 /nfs/dbraw/zinc/10/24/67/933102467.db2.gz RBJJZMBOVPLCBG-INIZCTEOSA-N 1 1 290.451 3.358 20 10 CGCDMO COCCC(C)(C)C[NH2+]Cc1ccc(Cl)cc1O ZINC001308678105 933156158 /nfs/dbraw/zinc/15/61/58/933156158.db2.gz SMUPURXEVCOJKM-UHFFFAOYSA-N 1 1 271.788 3.198 20 10 CGCDMO CC1(C)CC[C@@H](CO)[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001308915652 933203851 /nfs/dbraw/zinc/20/38/51/933203851.db2.gz YXDPEAQZQIPABA-LBPRGKRZSA-N 1 1 283.799 3.029 20 10 CGCDMO Oc1c(F)cccc1C[NH2+]CCc1cnc2ccccc2c1 ZINC001308930402 933205725 /nfs/dbraw/zinc/20/57/25/933205725.db2.gz HNMDVPOPZWLNFO-UHFFFAOYSA-N 1 1 296.345 3.412 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)CCC(F)(F)F)c1O ZINC001319688766 933914292 /nfs/dbraw/zinc/91/42/92/933914292.db2.gz ALAHVKTXJPMQNJ-UHFFFAOYSA-N 1 1 277.286 3.093 20 10 CGCDMO CC[C@@]1(C)C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001321703239 934205359 /nfs/dbraw/zinc/20/53/59/934205359.db2.gz VVEQJSIXNFZDFD-SFHVURJKSA-N 1 1 288.435 3.288 20 10 CGCDMO CCN1CCC[C@H](C[NH2+][C@H](C)c2ccc(C)cc2O)C1 ZINC001323828879 934429454 /nfs/dbraw/zinc/42/94/54/934429454.db2.gz CPYQLDVLVRZKMT-HUUCEWRRSA-N 1 1 276.424 3.083 20 10 CGCDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C1(C)C ZINC001473187885 937796425 /nfs/dbraw/zinc/79/64/25/937796425.db2.gz UFAXMPKWVSCCNR-FUHWJXTLSA-N 1 1 290.451 3.388 20 10 CGCDMO Nc1ccc(C[N@H+]2CC[C@](F)(c3ccccc3)C2)cc1 ZINC001334775362 936112713 /nfs/dbraw/zinc/11/27/13/936112713.db2.gz XUIXBOMWHLCDOD-QGZVFWFLSA-N 1 1 270.351 3.340 20 10 CGCDMO Cc1c2ccccc2n(C)c1CNC[C@H]1CCCC[N@H+](C)C1 ZINC001474211044 937844307 /nfs/dbraw/zinc/84/43/07/937844307.db2.gz KGQPCBQZRCALGE-MRXNPFEDSA-N 1 1 299.462 3.308 20 10 CGCDMO Cc1c2ccccc2n(C)c1CNC[C@H]1CCCC[N@@H+](C)C1 ZINC001474211044 937844309 /nfs/dbraw/zinc/84/43/09/937844309.db2.gz KGQPCBQZRCALGE-MRXNPFEDSA-N 1 1 299.462 3.308 20 10 CGCDMO Cc1ncccc1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC001474656312 937873359 /nfs/dbraw/zinc/87/33/59/937873359.db2.gz GLMUVSATRMFPBM-UHFFFAOYSA-N 1 1 280.730 3.178 20 10 CGCDMO Cc1c2ccccc2n(C)c1C[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC001560484569 938260034 /nfs/dbraw/zinc/26/00/34/938260034.db2.gz QGBYBEPUEMUBAU-UHFFFAOYSA-N 1 1 297.406 3.018 20 10 CGCDMO CC1(C)C[N@@H+](Cc2cc(F)c(F)cc2[O-])C1(C)C ZINC001560687673 938270386 /nfs/dbraw/zinc/27/03/86/938270386.db2.gz NPEBDSMDBNYYHY-UHFFFAOYSA-N 1 1 255.308 3.291 20 10 CGCDMO CC1(C)C[N@H+](Cc2cc(F)c(F)cc2O)C1(C)C ZINC001560687673 938270388 /nfs/dbraw/zinc/27/03/88/938270388.db2.gz NPEBDSMDBNYYHY-UHFFFAOYSA-N 1 1 255.308 3.291 20 10 CGCDMO Oc1cccc(F)c1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC001561016165 938289744 /nfs/dbraw/zinc/28/97/44/938289744.db2.gz PNNJKDIFVNHSOW-CQSZACIVSA-N 1 1 271.335 3.178 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)CCC(=O)c2ccccc2)c1 ZINC001203679017 957892129 /nfs/dbraw/zinc/89/21/29/957892129.db2.gz XJRLJGGQUPSPAR-UHFFFAOYSA-N 1 1 299.370 3.106 20 10 CGCDMO C[C@]1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCC[NH2+]C1 ZINC001576526671 962470785 /nfs/dbraw/zinc/47/07/85/962470785.db2.gz WUCXRWAJRWGOSF-SFHVURJKSA-N 1 1 284.403 3.025 20 10 CGCDMO CCC[N@@H+](Cc1ccnn1CC)Cc1ccccc1O ZINC000124039542 370919075 /nfs/dbraw/zinc/91/90/75/370919075.db2.gz ZFVDUTBQISURNY-UHFFFAOYSA-N 1 1 273.380 3.021 20 10 CGCDMO CCCOc1ccc(C[N@@H+](C)C[C@@H]2CCCOC2)c(O)c1 ZINC000156032124 371958849 /nfs/dbraw/zinc/95/88/49/371958849.db2.gz WDSLOBGSELBINB-AWEZNQCLSA-N 1 1 293.407 3.039 20 10 CGCDMO C[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(F)cc1O ZINC000160722747 372271585 /nfs/dbraw/zinc/27/15/85/372271585.db2.gz WGQSPKIHSJSVAT-GFCCVEGCSA-N 1 1 280.387 3.056 20 10 CGCDMO CCCOc1ccc(C[N@H+]2CC[C@](C)(COC)C2)c(O)c1 ZINC000294298645 372642485 /nfs/dbraw/zinc/64/24/85/372642485.db2.gz UVWHBLRJAKZPHR-KRWDZBQOSA-N 1 1 293.407 3.039 20 10 CGCDMO COC[C@@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)c1ccco1 ZINC000294592460 372662839 /nfs/dbraw/zinc/66/28/39/372662839.db2.gz NENKKTVCNKXGCX-OAHLLOKOSA-N 1 1 288.391 3.131 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)Cc1cc(F)ncc1F ZINC000294668342 372665765 /nfs/dbraw/zinc/66/57/65/372665765.db2.gz CNFCTEHXNDSPDM-UHFFFAOYSA-N 1 1 292.329 3.478 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC[C@](C)(F)C2)c1O ZINC000295585695 372837106 /nfs/dbraw/zinc/83/71/06/372837106.db2.gz BTVGLWUHKNWYPU-HNNXBMFYSA-N 1 1 267.344 3.115 20 10 CGCDMO Cn1cncc1C[N@@H+](Cc1ccccc1O)C1CCCCC1 ZINC000177047595 373650482 /nfs/dbraw/zinc/65/04/82/373650482.db2.gz XZVSWQNWCNCDMF-UHFFFAOYSA-N 1 1 299.418 3.461 20 10 CGCDMO COc1ccc(O)c(C[N@@H+]([C@@H](C)C2CC2)C2CC2)c1 ZINC000179731146 373909096 /nfs/dbraw/zinc/90/90/96/373909096.db2.gz GMSFGQNJGGXFAL-NSHDSACASA-N 1 1 261.365 3.164 20 10 CGCDMO CSC[C@H]1CCC[N@H+]1Cc1cccc(C)c1O ZINC000180534651 374017921 /nfs/dbraw/zinc/01/79/21/374017921.db2.gz QWDJMUCIIBHFDB-CYBMUJFWSA-N 1 1 251.395 3.028 20 10 CGCDMO CC(C)N(C)c1ccc(C[N@@H+](C)Cc2ccccc2O)cn1 ZINC000191253492 375600908 /nfs/dbraw/zinc/60/09/08/375600908.db2.gz CULJORPVFJGOPQ-UHFFFAOYSA-N 1 1 299.418 3.264 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCS[C@@H](C)CC2)c1O ZINC000192172100 375706220 /nfs/dbraw/zinc/70/62/20/375706220.db2.gz LPLGBOXKYLYOLP-JTQLQIEISA-N 1 1 297.395 3.061 20 10 CGCDMO COC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)c1ccco1 ZINC000266977393 378028959 /nfs/dbraw/zinc/02/89/59/378028959.db2.gz RJKRDJNFPPZBBO-AWEZNQCLSA-N 1 1 275.348 3.074 20 10 CGCDMO COc1cc(O)c(C[N@H+]2C[C@H](C)CC2(C)C)cc1OC ZINC000271903924 378512308 /nfs/dbraw/zinc/51/23/08/378512308.db2.gz ZVQCFVYXNWZSMT-LLVKDONJSA-N 1 1 279.380 3.030 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CCc2ccsc2C1 ZINC000272311622 378610838 /nfs/dbraw/zinc/61/08/38/378610838.db2.gz RPKPJYBWGNKDTO-UHFFFAOYSA-N 1 1 263.337 3.151 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CCc2ccsc2C1 ZINC000272311622 378610840 /nfs/dbraw/zinc/61/08/40/378610840.db2.gz RPKPJYBWGNKDTO-UHFFFAOYSA-N 1 1 263.337 3.151 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000272353625 378618951 /nfs/dbraw/zinc/61/89/51/378618951.db2.gz DNQCVEFOBUQCOU-AWEZNQCLSA-N 1 1 299.374 3.032 20 10 CGCDMO C[C@H]([NH2+][C@@H](C)[C@H]1CCCCO1)c1ccc(F)cc1O ZINC000273469414 378747937 /nfs/dbraw/zinc/74/79/37/378747937.db2.gz JJCNVGVABFCDCI-ZIBATOQPSA-N 1 1 267.344 3.140 20 10 CGCDMO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCc3c[nH]nc32)c1 ZINC000273520656 378752001 /nfs/dbraw/zinc/75/20/01/378752001.db2.gz UHPLXHZSGARYPD-FZMZJTMJSA-N 1 1 271.364 3.152 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cc(C)c(C)cc2O)[C@@H](C)C1 ZINC000282114742 379856457 /nfs/dbraw/zinc/85/64/57/379856457.db2.gz ALPVEAFZLCXIRJ-ZFWWWQNUSA-N 1 1 263.381 3.008 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1C ZINC000283759741 380087360 /nfs/dbraw/zinc/08/73/60/380087360.db2.gz AVRNEUMAMIXGNE-NVXWUHKLSA-N 1 1 275.392 3.152 20 10 CGCDMO CCC[N@@H+](CCc1ccnn1CC)Cc1ccccc1O ZINC000284323332 380139287 /nfs/dbraw/zinc/13/92/87/380139287.db2.gz IDLMWYYWPNRTMM-UHFFFAOYSA-N 1 1 287.407 3.063 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)c1cn(C)nc1C)c1ccc(F)cc1O ZINC000286134148 380164474 /nfs/dbraw/zinc/16/44/74/380164474.db2.gz OREJPHJIVCGKLK-ZUZCIYMTSA-N 1 1 291.370 3.375 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H](C)SC)c1ccc(F)cc1O ZINC000286170335 380170524 /nfs/dbraw/zinc/17/05/24/380170524.db2.gz PTULTAOPXXQSDJ-JOYOIKCWSA-N 1 1 257.374 3.324 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(F)cc1O ZINC000285537203 380150807 /nfs/dbraw/zinc/15/08/07/380150807.db2.gz BXTNBWAJRZNJMF-KFNAQCHYSA-N 1 1 292.398 3.197 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)c1cnn(C)c1C)c1ccc(F)cc1O ZINC000285769220 380152435 /nfs/dbraw/zinc/15/24/35/380152435.db2.gz SRKXXKYNVXOQPU-BONVTDFDSA-N 1 1 291.370 3.375 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Cl)ccc1[O-] ZINC000363858960 382259617 /nfs/dbraw/zinc/25/96/17/382259617.db2.gz RWLRCNPBKKELEX-IACUBPJLSA-N 1 1 294.826 3.323 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Cl)ccc1[O-] ZINC000363858960 382259625 /nfs/dbraw/zinc/25/96/25/382259625.db2.gz RWLRCNPBKKELEX-IACUBPJLSA-N 1 1 294.826 3.323 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc(C)cc1O ZINC000368101816 382364683 /nfs/dbraw/zinc/36/46/83/382364683.db2.gz LQOPYDXADKEGER-JSGCOSHPSA-N 1 1 285.391 3.022 20 10 CGCDMO CC[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(N(C)C)cc1 ZINC000368100864 382365095 /nfs/dbraw/zinc/36/50/95/382365095.db2.gz IPQMAJPTTNWQGY-GDBMZVCRSA-N 1 1 298.434 3.074 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000369019564 382385293 /nfs/dbraw/zinc/38/52/93/382385293.db2.gz QMBPAXWGKZNDAC-LJQANCHMSA-N 1 1 295.382 3.414 20 10 CGCDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cc(F)ccc1O ZINC000289268547 392419472 /nfs/dbraw/zinc/41/94/72/392419472.db2.gz GCNWZQGSXMOSSX-WFASDCNBSA-N 1 1 281.371 3.047 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000179562462 392701749 /nfs/dbraw/zinc/70/17/49/392701749.db2.gz HQHVBAUJTXQOCT-UHFFFAOYSA-N 1 1 282.387 3.105 20 10 CGCDMO C[N@@H+](CCc1ccc(F)cc1)Cc1ccccc1O ZINC000179561957 392702288 /nfs/dbraw/zinc/70/22/88/392702288.db2.gz AUZYKIYMSDDYEZ-UHFFFAOYSA-N 1 1 259.324 3.206 20 10 CGCDMO CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2O)CCO1 ZINC000272674252 393265285 /nfs/dbraw/zinc/26/52/85/393265285.db2.gz UIGRJJKNFBBFEQ-UONOGXRCSA-N 1 1 281.371 3.215 20 10 CGCDMO Cc1ccc(O)c([C@H](C)[NH2+]CCCN2CCC(C)CC2)c1 ZINC000035628892 172307954 /nfs/dbraw/zinc/30/79/54/172307954.db2.gz WHBPZOIVJZYBQI-INIZCTEOSA-N 1 1 290.451 3.473 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2C2CCC2)cc1OC ZINC000160126750 261205844 /nfs/dbraw/zinc/20/58/44/261205844.db2.gz RVRHWUAJNUNGGT-AWEZNQCLSA-N 1 1 291.391 3.174 20 10 CGCDMO CC(C)([NH2+]Cc1ccc2c(c1)CCO2)c1nccs1 ZINC000116380362 261959950 /nfs/dbraw/zinc/95/99/50/261959950.db2.gz AGEUALPMXRFJMT-UHFFFAOYSA-N 1 1 274.389 3.103 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+](C)[C@H](C)C2CC2)c1O ZINC000184680146 262025968 /nfs/dbraw/zinc/02/59/68/262025968.db2.gz LBNLPOOWUWWHCR-SECBINFHSA-N 1 1 269.772 3.285 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000184997349 262036878 /nfs/dbraw/zinc/03/68/78/262036878.db2.gz AUZQETQTTFSGKQ-RYUDHWBXSA-N 1 1 294.826 3.181 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000184997349 262036880 /nfs/dbraw/zinc/03/68/80/262036880.db2.gz AUZQETQTTFSGKQ-RYUDHWBXSA-N 1 1 294.826 3.181 20 10 CGCDMO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000185074807 262040056 /nfs/dbraw/zinc/04/00/56/262040056.db2.gz IYAWFKSCSGFYQM-CQSZACIVSA-N 1 1 288.435 3.226 20 10 CGCDMO C[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccc(F)cc1O ZINC000185518687 262057954 /nfs/dbraw/zinc/05/79/54/262057954.db2.gz RAGURGDMYAZTQS-MEBBXXQBSA-N 1 1 295.379 3.151 20 10 CGCDMO Cc1nc(CC[NH2+][C@H](C)c2ccc(F)cc2O)sc1C ZINC000185797415 262071593 /nfs/dbraw/zinc/07/15/93/262071593.db2.gz HSUVHUULMPPNMY-SNVBAGLBSA-N 1 1 294.395 3.498 20 10 CGCDMO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)n[nH]1 ZINC000186131347 262080617 /nfs/dbraw/zinc/08/06/17/262080617.db2.gz MWYSUFZOIISSQF-DGCLKSJQSA-N 1 1 273.380 3.014 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@H](c3ccco3)C2)c1O ZINC000371332259 267391993 /nfs/dbraw/zinc/39/19/93/267391993.db2.gz OBYZFJZRSOMJKO-ZDUSSCGKSA-N 1 1 287.359 3.373 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cccc(CO)c1)c1ccc(F)cc1O ZINC000285511909 328247800 /nfs/dbraw/zinc/24/78/00/328247800.db2.gz ARYBRQIMLVIVSR-MRXNPFEDSA-N 1 1 289.350 3.265 20 10 CGCDMO CCC[C@@](C)(O)C[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000285986966 328248632 /nfs/dbraw/zinc/24/86/32/328248632.db2.gz HXFILXQVDILEAX-DZGCQCFKSA-N 1 1 269.360 3.123 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000377827034 329030635 /nfs/dbraw/zinc/03/06/35/329030635.db2.gz SDCILQVHARRUAJ-UONOGXRCSA-N 1 1 293.382 3.170 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000377827034 329030636 /nfs/dbraw/zinc/03/06/36/329030636.db2.gz SDCILQVHARRUAJ-UONOGXRCSA-N 1 1 293.382 3.170 20 10 CGCDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccccc1O ZINC000179887791 329212930 /nfs/dbraw/zinc/21/29/30/329212930.db2.gz PWNCKQBPNKDDFO-OAHLLOKOSA-N 1 1 256.349 3.068 20 10 CGCDMO CCc1cnc(C[NH2+]Cc2c(O)cccc2Cl)s1 ZINC000230706841 329372078 /nfs/dbraw/zinc/37/20/78/329372078.db2.gz DKKCEVNUPDVZDU-UHFFFAOYSA-N 1 1 282.796 3.354 20 10 CGCDMO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000527803622 330284210 /nfs/dbraw/zinc/28/42/10/330284210.db2.gz HSSKRDNJFWPVLJ-GMAGZHIISA-N 1 1 287.762 3.086 20 10 CGCDMO CC1(C)CC[N@H+](Cc2cccc(F)c2O)CCS1 ZINC000279386582 520379960 /nfs/dbraw/zinc/37/99/60/520379960.db2.gz JWTXQPHTZXOREQ-UHFFFAOYSA-N 1 1 269.385 3.249 20 10 CGCDMO CC1(C)CC[N@@H+](Cc2cccc(F)c2O)CCS1 ZINC000279386582 520379971 /nfs/dbraw/zinc/37/99/71/520379971.db2.gz JWTXQPHTZXOREQ-UHFFFAOYSA-N 1 1 269.385 3.249 20 10 CGCDMO CCCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CC1 ZINC000278219065 520544367 /nfs/dbraw/zinc/54/43/67/520544367.db2.gz LHUXISXASWMVOC-UHFFFAOYSA-N 1 1 294.351 3.074 20 10 CGCDMO CCCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CC1 ZINC000278219065 520544377 /nfs/dbraw/zinc/54/43/77/520544377.db2.gz LHUXISXASWMVOC-UHFFFAOYSA-N 1 1 294.351 3.074 20 10 CGCDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CCCC1 ZINC000278194968 521330170 /nfs/dbraw/zinc/33/01/70/521330170.db2.gz ILRDMJOUAOZCEQ-UHFFFAOYSA-N 1 1 294.351 3.074 20 10 CGCDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CCCC1 ZINC000278194968 521330178 /nfs/dbraw/zinc/33/01/78/521330178.db2.gz ILRDMJOUAOZCEQ-UHFFFAOYSA-N 1 1 294.351 3.074 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)Cc1cc(C)[nH]n1)c1ccc(C)cc1O ZINC000280026496 522691073 /nfs/dbraw/zinc/69/10/73/522691073.db2.gz HSRKRSAUEHVYMP-LRDDRELGSA-N 1 1 287.407 3.404 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)c1ccc(C)cc1O ZINC000280026502 522935952 /nfs/dbraw/zinc/93/59/52/522935952.db2.gz HSRKRSAUEHVYMP-MLGOLLRUSA-N 1 1 287.407 3.404 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@](C)(O)CC2)c1O ZINC000279644466 524865976 /nfs/dbraw/zinc/86/59/76/524865976.db2.gz JRXDWTRYVKELFD-OAHLLOKOSA-N 1 1 283.799 3.091 20 10 CGCDMO C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccc(F)cc1O ZINC000278836796 525421499 /nfs/dbraw/zinc/42/14/99/525421499.db2.gz PGXPAXOFMGMDOS-GFCCVEGCSA-N 1 1 293.382 3.125 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000289592366 526329013 /nfs/dbraw/zinc/32/90/13/526329013.db2.gz UPSMLQIIIBHQTK-UHFFFAOYSA-N 1 1 273.307 3.414 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000289592366 526329019 /nfs/dbraw/zinc/32/90/19/526329019.db2.gz UPSMLQIIIBHQTK-UHFFFAOYSA-N 1 1 273.307 3.414 20 10 CGCDMO Oc1c(F)cccc1C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000278575161 526330467 /nfs/dbraw/zinc/33/04/67/526330467.db2.gz CMVYSZAOVUFXAI-UHFFFAOYSA-N 1 1 286.350 3.095 20 10 CGCDMO COCCC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000732205038 572451545 /nfs/dbraw/zinc/45/15/45/572451545.db2.gz XWJUIVKGXBQRQA-UHFFFAOYSA-N 1 1 263.381 3.173 20 10 CGCDMO CCN(CC)c1ccc(CNc2cc[nH+]c(N(C)C)n2)cc1 ZINC000740866043 572462901 /nfs/dbraw/zinc/46/29/01/572462901.db2.gz FOYOUSSQNFQJEC-UHFFFAOYSA-N 1 1 299.422 3.001 20 10 CGCDMO COC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000307789397 618078870 /nfs/dbraw/zinc/07/88/70/618078870.db2.gz UZRGJLDKQCQZGI-CYBMUJFWSA-N 1 1 269.772 3.047 20 10 CGCDMO CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)CC1CC1 ZINC000069238672 618167975 /nfs/dbraw/zinc/16/79/75/618167975.db2.gz UYXDCDUNVNPTQE-UHFFFAOYSA-N 1 1 281.783 3.480 20 10 CGCDMO CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)CC1CC1 ZINC000069238672 618167980 /nfs/dbraw/zinc/16/79/80/618167980.db2.gz UYXDCDUNVNPTQE-UHFFFAOYSA-N 1 1 281.783 3.480 20 10 CGCDMO COC(=O)c1ccc(C[N@@H+](C)Cc2ccccc2O)cc1C ZINC000891714074 618254378 /nfs/dbraw/zinc/25/43/78/618254378.db2.gz QWQZSBVNOBJZHM-UHFFFAOYSA-N 1 1 299.370 3.119 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000179557685 618795250 /nfs/dbraw/zinc/79/52/50/618795250.db2.gz LQMKDWCAUQMIIO-MRXNPFEDSA-N 1 1 267.372 3.457 20 10 CGCDMO C[N@@H+](Cc1cccc(F)c1)Cc1cc(F)ccc1O ZINC000179882882 619010709 /nfs/dbraw/zinc/01/07/09/619010709.db2.gz GFUMLFAIVCYRFU-UHFFFAOYSA-N 1 1 263.287 3.302 20 10 CGCDMO Cc1cccc(C[N@H+](C)Cc2cccc(N(C)C)c2)c1O ZINC000180639275 619017991 /nfs/dbraw/zinc/01/79/91/619017991.db2.gz CVBWUNHXMFKFEK-UHFFFAOYSA-N 1 1 284.403 3.399 20 10 CGCDMO Cc1cc(O)c(CN[C@H]2CCC[C@H]([NH+](C)C)C2)c(Cl)c1 ZINC000840903257 619082327 /nfs/dbraw/zinc/08/23/27/619082327.db2.gz LCKURHHEAMQDRD-STQMWFEESA-N 1 1 296.842 3.316 20 10 CGCDMO C[C@H]1SCC[N@@H+](Cc2ccc(N(C)C)cc2)[C@@H]1C ZINC000093499402 619201097 /nfs/dbraw/zinc/20/10/97/619201097.db2.gz UQOFWMXBGVGONE-CHWSQXEVSA-N 1 1 264.438 3.078 20 10 CGCDMO CC(C)[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CCC1 ZINC000093608320 619205497 /nfs/dbraw/zinc/20/54/97/619205497.db2.gz ILOCXQFNOBLOFM-UHFFFAOYSA-N 1 1 288.435 3.286 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@@H]2C)c1O ZINC000248882389 619216729 /nfs/dbraw/zinc/21/67/29/619216729.db2.gz PCBPNONWJAXJQQ-UWVGGRQHSA-N 1 1 269.772 3.285 20 10 CGCDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840953689 619257180 /nfs/dbraw/zinc/25/71/80/619257180.db2.gz WCONZXYGGXQTQS-MRXNPFEDSA-N 1 1 290.451 3.310 20 10 CGCDMO C[C@@H]([NH2+]Cc1cccc(O)c1)c1ccc(F)cc1O ZINC000185300090 625337869 /nfs/dbraw/zinc/33/78/69/625337869.db2.gz AZABEEXXWFUSSY-SNVBAGLBSA-N 1 1 261.296 3.088 20 10 CGCDMO CC(C)[N@H+](Cc1ccccn1)Cc1cc(F)cc(F)c1O ZINC000893967443 619341889 /nfs/dbraw/zinc/34/18/89/619341889.db2.gz LRFQBMXKUJURBI-UHFFFAOYSA-N 1 1 292.329 3.476 20 10 CGCDMO CC(C)[N@@H+](Cc1ccccn1)Cc1cc(F)cc(F)c1O ZINC000893967443 619341891 /nfs/dbraw/zinc/34/18/91/619341891.db2.gz LRFQBMXKUJURBI-UHFFFAOYSA-N 1 1 292.329 3.476 20 10 CGCDMO COc1ccc(C[N@H+]2CC3(CCC3)C[C@@H]2C)c(O)c1OC ZINC000894039176 619355871 /nfs/dbraw/zinc/35/58/71/619355871.db2.gz RDVBBWBLFNJTTE-LBPRGKRZSA-N 1 1 291.391 3.174 20 10 CGCDMO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000895926457 619908981 /nfs/dbraw/zinc/90/89/81/619908981.db2.gz FSEJDYQEIXGWCG-DZGCQCFKSA-N 1 1 263.381 3.008 20 10 CGCDMO CCOc1cccc(C[NH2+]Cc2c(O)cccc2F)c1 ZINC000896640263 620041581 /nfs/dbraw/zinc/04/15/81/620041581.db2.gz HXQLIDKCBLPRKL-UHFFFAOYSA-N 1 1 275.323 3.220 20 10 CGCDMO CC(C)(C)c1coc(C[NH2+][C@@H]2CCc3cccc(O)c32)n1 ZINC000903313602 621685309 /nfs/dbraw/zinc/68/53/09/621685309.db2.gz UNWQPGKROFXSKS-GFCCVEGCSA-N 1 1 286.375 3.455 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCCS1)c1ccc(F)cc1O ZINC000149591648 622345771 /nfs/dbraw/zinc/34/57/71/622345771.db2.gz DFBZKSNSPBGYHP-MWLCHTKSSA-N 1 1 255.358 3.078 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+](C)C[C@H]2CCCCO2)c1 ZINC000164198121 622820950 /nfs/dbraw/zinc/82/09/50/622820950.db2.gz RXCKBGCTSDSDCE-OAHLLOKOSA-N 1 1 263.381 3.010 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1O ZINC000228031758 623036533 /nfs/dbraw/zinc/03/65/33/623036533.db2.gz FPYGXRLBWWGRPP-BLLLJJGKSA-N 1 1 291.366 3.498 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1O ZINC000228031758 623036541 /nfs/dbraw/zinc/03/65/41/623036541.db2.gz FPYGXRLBWWGRPP-BLLLJJGKSA-N 1 1 291.366 3.498 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccc(F)cc1O ZINC000062747805 623267005 /nfs/dbraw/zinc/26/70/05/623267005.db2.gz JLIURNRAMAPIRF-SMDDNHRTSA-N 1 1 287.334 3.186 20 10 CGCDMO CCC(CC)[N@@H+](CCOC)Cc1cccc(C)c1O ZINC000124544296 634388436 /nfs/dbraw/zinc/38/84/36/634388436.db2.gz QLTSNAZJHCSLHQ-UHFFFAOYSA-N 1 1 265.397 3.338 20 10 CGCDMO CC[N@@H+](CCc1ccccc1)Cc1cc(OC)ccc1O ZINC000179690203 624678344 /nfs/dbraw/zinc/67/83/44/624678344.db2.gz UQOCLKFFGPPIPY-UHFFFAOYSA-N 1 1 285.387 3.465 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)[C@@H]1CCCO1 ZINC000186181814 625734759 /nfs/dbraw/zinc/73/47/59/625734759.db2.gz RNENWFHOEHYREA-XEGUGMAKSA-N 1 1 267.344 3.140 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CCCc2cccnc21 ZINC000922885978 626064623 /nfs/dbraw/zinc/06/46/23/626064623.db2.gz CDQYBYIBROXCLW-AWEZNQCLSA-N 1 1 290.313 3.233 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000923029897 626123967 /nfs/dbraw/zinc/12/39/67/626123967.db2.gz LMEGJUNTDCTNPG-ZDUSSCGKSA-N 1 1 299.773 3.376 20 10 CGCDMO C[C@H]1C[C@@H]1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000754102005 626475557 /nfs/dbraw/zinc/47/55/57/626475557.db2.gz OOTZUPGFGDNOTK-DZGCQCFKSA-N 1 1 258.409 3.373 20 10 CGCDMO C[C@H]1CSCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000754155925 626561317 /nfs/dbraw/zinc/56/13/17/626561317.db2.gz LTYAZZDEXXOUTK-SNVBAGLBSA-N 1 1 271.813 3.231 20 10 CGCDMO C[C@H]([NH2+]CCOC1CCCC1)c1cc(F)cc(F)c1O ZINC000756490661 626709396 /nfs/dbraw/zinc/70/93/96/626709396.db2.gz QQTILEDJPHTAGL-JTQLQIEISA-N 1 1 285.334 3.280 20 10 CGCDMO CCC(CC)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000756556559 626714347 /nfs/dbraw/zinc/71/43/47/626714347.db2.gz OQZMADTXBGCTGO-NSHDSACASA-N 1 1 279.380 3.266 20 10 CGCDMO C[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1O)c1ccncc1 ZINC000756636374 626722480 /nfs/dbraw/zinc/72/24/80/626722480.db2.gz XDBNYXZEVPHQRN-NWDGAFQWSA-N 1 1 274.339 3.381 20 10 CGCDMO Cc1nnc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)s1 ZINC000757637316 626796228 /nfs/dbraw/zinc/79/62/28/626796228.db2.gz HIMQPSQVMQPEOK-JTQLQIEISA-N 1 1 277.393 3.020 20 10 CGCDMO Cc1nnc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)s1 ZINC000757638565 626796352 /nfs/dbraw/zinc/79/63/52/626796352.db2.gz LZZCVLYVTPHGOM-ZETCQYMHSA-N 1 1 283.784 3.056 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCSC)cc1 ZINC000759643269 626910995 /nfs/dbraw/zinc/91/09/95/626910995.db2.gz LWVUMWNDLMLBNG-UHFFFAOYSA-N 1 1 266.454 3.328 20 10 CGCDMO COc1ccccc1C[N@@H+](C)Cc1c(O)cccc1OC ZINC000768162723 627465223 /nfs/dbraw/zinc/46/52/23/627465223.db2.gz GQYOKEYRCDZODG-UHFFFAOYSA-N 1 1 287.359 3.041 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@H]2C(C)C)c(O)cc1C ZINC000768442700 627480836 /nfs/dbraw/zinc/48/08/36/627480836.db2.gz MZOOLVJXXSAGLT-AWEZNQCLSA-N 1 1 263.381 3.330 20 10 CGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCCOC1 ZINC000768535100 627485323 /nfs/dbraw/zinc/48/53/23/627485323.db2.gz NVWPKEROEQFLSI-QGZVFWFLSA-N 1 1 290.451 3.390 20 10 CGCDMO C[C@@H]([N@@H+](C)Cc1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC000768545177 627486320 /nfs/dbraw/zinc/48/63/20/627486320.db2.gz VBKMYUMCGTVWJX-OAHLLOKOSA-N 1 1 290.451 3.390 20 10 CGCDMO CC[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000769010904 627516595 /nfs/dbraw/zinc/51/65/95/627516595.db2.gz XEQCLXXOFKZVMG-ZDUSSCGKSA-N 1 1 250.361 3.266 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](C)C2Cc3ccccc3C2)c1 ZINC000769035965 627519584 /nfs/dbraw/zinc/51/95/84/627519584.db2.gz ZVLXXKQYMPPRQD-UHFFFAOYSA-N 1 1 267.372 3.300 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H](C)[C@H]2C)cc1 ZINC000769421591 627550881 /nfs/dbraw/zinc/55/08/81/627550881.db2.gz AXXHNBGPTIACPV-CABCVRRESA-N 1 1 276.424 3.142 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC(C)(C)OCC2(C)C)c(O)c1 ZINC000769445385 627552651 /nfs/dbraw/zinc/55/26/51/627552651.db2.gz HFQPXQQUHQFOFV-UHFFFAOYSA-N 1 1 293.407 3.180 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)c(O)c1 ZINC000769451577 627554204 /nfs/dbraw/zinc/55/42/04/627554204.db2.gz NFEFUAPHRYPKCV-STQMWFEESA-N 1 1 263.381 3.269 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000769502848 627560590 /nfs/dbraw/zinc/56/05/90/627560590.db2.gz BOEDARRCSRVDST-LJQANCHMSA-N 1 1 296.414 3.326 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000769502848 627560592 /nfs/dbraw/zinc/56/05/92/627560592.db2.gz BOEDARRCSRVDST-LJQANCHMSA-N 1 1 296.414 3.326 20 10 CGCDMO Cn1c[nH+]c2cc(NCc3ccc4[nH]cnc4c3)ccc21 ZINC000770590147 627629750 /nfs/dbraw/zinc/62/97/50/627629750.db2.gz WFSNKQCUMWACRG-UHFFFAOYSA-N 1 1 277.331 3.062 20 10 CGCDMO CCc1ncc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)s1 ZINC000771934865 627746439 /nfs/dbraw/zinc/74/64/39/627746439.db2.gz DLMWADORPSERTJ-UHFFFAOYSA-N 1 1 289.448 3.404 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](CC)C[C@@H]2CCOC2)cc1 ZINC000773731904 627908733 /nfs/dbraw/zinc/90/87/33/627908733.db2.gz XGELHSDHYHKRIJ-INIZCTEOSA-N 1 1 276.424 3.001 20 10 CGCDMO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775030157 628054929 /nfs/dbraw/zinc/05/49/29/628054929.db2.gz QYYXYYNYCWEVQI-MNOVXSKESA-N 1 1 296.367 3.223 20 10 CGCDMO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1ccccc1O ZINC000775186011 628071094 /nfs/dbraw/zinc/07/10/94/628071094.db2.gz ZBYXNZWCZAPBNI-KRWDZBQOSA-N 1 1 291.391 3.090 20 10 CGCDMO CC[C@H]([NH2+]Cc1cocn1)c1cc(Cl)ccc1O ZINC000775538117 628104931 /nfs/dbraw/zinc/10/49/31/628104931.db2.gz ULKWASHLYXXPQE-LBPRGKRZSA-N 1 1 266.728 3.275 20 10 CGCDMO CCC[C@H]1C[N@H+](Cc2cc(Cl)cc(C)c2O)CCO1 ZINC000775708862 628128379 /nfs/dbraw/zinc/12/83/79/628128379.db2.gz PFPJUFZYFJACRW-AWEZNQCLSA-N 1 1 283.799 3.355 20 10 CGCDMO CCC[C@H]1C[N@@H+](Cc2cc(Cl)cc(C)c2O)CCO1 ZINC000775708862 628128381 /nfs/dbraw/zinc/12/83/81/628128381.db2.gz PFPJUFZYFJACRW-AWEZNQCLSA-N 1 1 283.799 3.355 20 10 CGCDMO CC(C)n1ccnc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775834691 628140974 /nfs/dbraw/zinc/14/09/74/628140974.db2.gz COKDBCITWDFHCK-CQSZACIVSA-N 1 1 286.423 3.381 20 10 CGCDMO CC(C)[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000777968329 628316488 /nfs/dbraw/zinc/31/64/88/628316488.db2.gz IZGXRUJLLTXLJV-GOSISDBHSA-N 1 1 289.419 3.128 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@H](F)C2)cc1C ZINC000777965662 628316690 /nfs/dbraw/zinc/31/66/90/628316690.db2.gz BXLBNRZJGDLMEQ-IINYFYTJSA-N 1 1 251.345 3.189 20 10 CGCDMO C[N@@H+](Cc1cc(F)ccc1O)C1Cc2ccccc2C1 ZINC000779000144 628382696 /nfs/dbraw/zinc/38/26/96/628382696.db2.gz UOYIQPZYRRTYPZ-UHFFFAOYSA-N 1 1 271.335 3.131 20 10 CGCDMO CCC[N@H+](CCCN1CCCCC1)Cc1ccccc1O ZINC000781898467 628603601 /nfs/dbraw/zinc/60/36/01/628603601.db2.gz LLWCDIXGYDKQNZ-UHFFFAOYSA-N 1 1 290.451 3.480 20 10 CGCDMO CCC[N@@H+](CCCN1CCCCC1)Cc1ccccc1O ZINC000781898467 628603602 /nfs/dbraw/zinc/60/36/02/628603602.db2.gz LLWCDIXGYDKQNZ-UHFFFAOYSA-N 1 1 290.451 3.480 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CC[C@@H](C)C2)c1 ZINC000783306273 628701899 /nfs/dbraw/zinc/70/18/99/628701899.db2.gz GBPYNBKANDMNIU-MDZLAQPJSA-N 1 1 277.364 3.018 20 10 CGCDMO C[C@H](NCC[N@H+](C)C1CCCCC1)c1ccccc1O ZINC000783499773 628719047 /nfs/dbraw/zinc/71/90/47/628719047.db2.gz BGGDGLWHNFXDJP-AWEZNQCLSA-N 1 1 276.424 3.307 20 10 CGCDMO C[C@H](NCC[N@@H+](C)C1CCCCC1)c1ccccc1O ZINC000783499773 628719051 /nfs/dbraw/zinc/71/90/51/628719051.db2.gz BGGDGLWHNFXDJP-AWEZNQCLSA-N 1 1 276.424 3.307 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)C[C@H]2CC=CCC2)c1O ZINC000784017078 628766902 /nfs/dbraw/zinc/76/69/02/628766902.db2.gz VRKTWGAKTCPCIG-AWEZNQCLSA-N 1 1 275.392 3.497 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC[C@H](C(C)(C)C)C2)cc1OC ZINC000784033295 628769681 /nfs/dbraw/zinc/76/96/81/628769681.db2.gz DWRBPLIRSHCKRM-ZDUSSCGKSA-N 1 1 293.407 3.277 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccnc(N)c2)cc1 ZINC000785630772 628876030 /nfs/dbraw/zinc/87/60/30/628876030.db2.gz LLORUTSPLYMVLF-UHFFFAOYSA-N 1 1 298.434 3.142 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c1O ZINC000785986807 628905530 /nfs/dbraw/zinc/90/55/30/628905530.db2.gz DOZNERVFTXHMDS-NVBFEUDRSA-N 1 1 297.826 3.335 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCCOC1)c1cccc(C(F)(F)F)c1O ZINC000788787092 629081880 /nfs/dbraw/zinc/08/18/80/629081880.db2.gz YNEZERRXBRSTSP-NXEZZACHSA-N 1 1 289.297 3.241 20 10 CGCDMO COC[C@@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788822623 629084800 /nfs/dbraw/zinc/08/48/00/629084800.db2.gz MWMKGHNAMNIPKU-RKDXNWHRSA-N 1 1 277.286 3.097 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000790977666 629245349 /nfs/dbraw/zinc/24/53/49/629245349.db2.gz NBXTXEZFQVFOMJ-ZETCQYMHSA-N 1 1 279.689 3.462 20 10 CGCDMO Cc1ccc2c(c1)CC[N@H+](Cc1ccccc1O)C2 ZINC000792179969 629345749 /nfs/dbraw/zinc/34/57/49/629345749.db2.gz JTKKLJLYNLEEQD-UHFFFAOYSA-N 1 1 253.345 3.259 20 10 CGCDMO CSCCC[N@@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862353975 629347396 /nfs/dbraw/zinc/34/73/96/629347396.db2.gz HQMLNAAPAQRBRK-UHFFFAOYSA-N 1 1 288.407 3.216 20 10 CGCDMO Cc1cc(O)c(Cn2c[nH+]c3c2CCCC3)cc1Cl ZINC000862432113 629371163 /nfs/dbraw/zinc/37/11/63/629371163.db2.gz RSXOIZVVRFMGNZ-UHFFFAOYSA-N 1 1 276.767 3.478 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000793230688 629433161 /nfs/dbraw/zinc/43/31/61/629433161.db2.gz IAVXKYYEJZDNMP-MWLCHTKSSA-N 1 1 289.297 3.174 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)cc1OC ZINC000793358590 629447198 /nfs/dbraw/zinc/44/71/98/629447198.db2.gz RRHUARAIHIZJBQ-CYBMUJFWSA-N 1 1 293.407 3.420 20 10 CGCDMO CC[C@@H]1CC[N@H+]1Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000793810098 629502588 /nfs/dbraw/zinc/50/25/88/629502588.db2.gz NAKLLZGHXFJFNF-CYBMUJFWSA-N 1 1 299.370 3.316 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC2(C)CC2)c1 ZINC000794826302 629582533 /nfs/dbraw/zinc/58/25/33/629582533.db2.gz AXBBGEKWMBATOB-LLVKDONJSA-N 1 1 277.364 3.020 20 10 CGCDMO C[C@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1cc2c(cc1O)CCCC2 ZINC000863546684 629602865 /nfs/dbraw/zinc/60/28/65/629602865.db2.gz MVRVIHNMCHEBDS-WWGRRREGSA-N 1 1 288.435 3.062 20 10 CGCDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000795673297 629708433 /nfs/dbraw/zinc/70/84/33/629708433.db2.gz AABXWDPEMQTJQF-OKILXGFUSA-N 1 1 293.407 3.005 20 10 CGCDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000796384175 629774300 /nfs/dbraw/zinc/77/43/00/629774300.db2.gz MFTUCEVJPLDEOL-YJBOKZPZSA-N 1 1 290.451 3.268 20 10 CGCDMO C[N@H+](Cc1c[nH]cn1)Cc1ccc(N2CCCCC2)cc1 ZINC000796439794 629781194 /nfs/dbraw/zinc/78/11/94/629781194.db2.gz WUPPYGOSETZPFV-UHFFFAOYSA-N 1 1 284.407 3.032 20 10 CGCDMO C[N@@H+](Cc1c[nH]cn1)Cc1ccc(N2CCCCC2)cc1 ZINC000796439794 629781208 /nfs/dbraw/zinc/78/12/08/629781208.db2.gz WUPPYGOSETZPFV-UHFFFAOYSA-N 1 1 284.407 3.032 20 10 CGCDMO CC[C@@H](C)[C@](C)(O)C[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000796758235 629826782 /nfs/dbraw/zinc/82/67/82/629826782.db2.gz BTBAWGRSCYNBOC-DIOULYMOSA-N 1 1 283.387 3.369 20 10 CGCDMO CC[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc(F)cc1O ZINC000796838793 629845103 /nfs/dbraw/zinc/84/51/03/629845103.db2.gz ZOKDCEIQOQRXKY-JSGCOSHPSA-N 1 1 283.387 3.369 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc(F)cc1O ZINC000796947957 629864139 /nfs/dbraw/zinc/86/41/39/629864139.db2.gz KVSFGFBBQIIDDT-UGFHNGPFSA-N 1 1 281.371 3.123 20 10 CGCDMO CCOc1ccc(C[N@@H+]2CC(C)=C[C@@H](C)C2)c(O)c1 ZINC000797604695 629970491 /nfs/dbraw/zinc/97/04/91/629970491.db2.gz HSJMITFDRRFDEC-GFCCVEGCSA-N 1 1 261.365 3.189 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000799390734 630177694 /nfs/dbraw/zinc/17/76/94/630177694.db2.gz QUPXDVKFFJDUGO-GFCCVEGCSA-N 1 1 256.349 3.172 20 10 CGCDMO CCCC[N@H+](C)C[C@H](C)NCc1ccc(OC)c(C)c1 ZINC000808455226 630646988 /nfs/dbraw/zinc/64/69/88/630646988.db2.gz YIYXDTYMNOXGPR-HNNXBMFYSA-N 1 1 278.440 3.214 20 10 CGCDMO CCCC[N@@H+](C)C[C@H](C)NCc1ccc(OC)c(C)c1 ZINC000808455226 630646989 /nfs/dbraw/zinc/64/69/89/630646989.db2.gz YIYXDTYMNOXGPR-HNNXBMFYSA-N 1 1 278.440 3.214 20 10 CGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CCCN(C)C2)c1O ZINC000808692892 630665052 /nfs/dbraw/zinc/66/50/52/630665052.db2.gz BCIHVUWSCIWCGU-OLZOCXBDSA-N 1 1 296.842 3.346 20 10 CGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccon2)c1O ZINC000808700606 630666381 /nfs/dbraw/zinc/66/63/81/630666381.db2.gz NLRMJYDXQUKNOV-SECBINFHSA-N 1 1 266.728 3.193 20 10 CGCDMO CC(C)C(=O)CC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000808710355 630668287 /nfs/dbraw/zinc/66/82/87/630668287.db2.gz IGODBBCHSTWQOA-UHFFFAOYSA-N 1 1 288.435 3.332 20 10 CGCDMO CCc1cc(CCC[N@@H+](C)Cc2ccccc2O)on1 ZINC000809575810 630753280 /nfs/dbraw/zinc/75/32/80/630753280.db2.gz MFBHUGSKRCQSKU-UHFFFAOYSA-N 1 1 274.364 3.007 20 10 CGCDMO Cc1ccc2c(c1)C[N@H+](Cc1cc(F)ccc1O)CCO2 ZINC000809703762 630786892 /nfs/dbraw/zinc/78/68/92/630786892.db2.gz POAXGSUOMVYERR-UHFFFAOYSA-N 1 1 287.334 3.234 20 10 CGCDMO CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(Cl)c1[O-] ZINC000809754595 630799975 /nfs/dbraw/zinc/79/99/75/630799975.db2.gz CKAKAGRCSAUGGZ-UHFFFAOYSA-N 1 1 284.831 3.209 20 10 CGCDMO CCCC[N@H+](C)C[C@@H](C)NCc1cc(Cl)ccc1O ZINC000810163286 630848808 /nfs/dbraw/zinc/84/88/08/630848808.db2.gz NZEBHDGBUJCESA-GFCCVEGCSA-N 1 1 284.831 3.256 20 10 CGCDMO CCCC[N@@H+](C)C[C@@H](C)NCc1cc(Cl)ccc1O ZINC000810163286 630848811 /nfs/dbraw/zinc/84/88/11/630848811.db2.gz NZEBHDGBUJCESA-GFCCVEGCSA-N 1 1 284.831 3.256 20 10 CGCDMO CCC[N@@H+](CC)C[C@@H](C)NCc1ccc(OC)c(C)c1 ZINC000810180163 630851022 /nfs/dbraw/zinc/85/10/22/630851022.db2.gz PHHKGJPCSUUNHN-OAHLLOKOSA-N 1 1 278.440 3.214 20 10 CGCDMO CCCN(CC)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000810180163 630851026 /nfs/dbraw/zinc/85/10/26/630851026.db2.gz PHHKGJPCSUUNHN-OAHLLOKOSA-N 1 1 278.440 3.214 20 10 CGCDMO Cc1c[nH]nc1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000811463371 631068933 /nfs/dbraw/zinc/06/89/33/631068933.db2.gz SPBHQYVJDKTDOI-UHFFFAOYSA-N 1 1 285.391 3.369 20 10 CGCDMO Cc1cn[nH]c1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000811463371 631068935 /nfs/dbraw/zinc/06/89/35/631068935.db2.gz SPBHQYVJDKTDOI-UHFFFAOYSA-N 1 1 285.391 3.369 20 10 CGCDMO Cc1cn[nH]c1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000811463371 631068938 /nfs/dbraw/zinc/06/89/38/631068938.db2.gz SPBHQYVJDKTDOI-UHFFFAOYSA-N 1 1 285.391 3.369 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+](C(C)C)[C@H]2CCOC2)c1 ZINC000812290664 631235744 /nfs/dbraw/zinc/23/57/44/631235744.db2.gz FKPDXASZGTWLIV-HNNXBMFYSA-N 1 1 263.381 3.008 20 10 CGCDMO CC[N@H+](Cc1cc2c(cc1O)CCCC2)C[C@@H](C)OC ZINC000812300978 631236397 /nfs/dbraw/zinc/23/63/97/631236397.db2.gz AMXWLSGBIFNGBG-CYBMUJFWSA-N 1 1 277.408 3.128 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH+]2CC(C3CC3)C2)c1 ZINC000812776312 631306515 /nfs/dbraw/zinc/30/65/15/631306515.db2.gz TZHCJFXEUJASTJ-UHFFFAOYSA-N 1 1 296.208 3.305 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000814178207 631538895 /nfs/dbraw/zinc/53/88/95/631538895.db2.gz HJNLMBRACCJSIW-CYBMUJFWSA-N 1 1 295.810 3.294 20 10 CGCDMO CC[C@H]1CC[N@H+]1Cc1cc(Br)cc(C)c1O ZINC000814179631 631540087 /nfs/dbraw/zinc/54/00/87/631540087.db2.gz WPGLPKXBPHORQH-LBPRGKRZSA-N 1 1 284.197 3.447 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)ccc1N(C)C ZINC000815020057 631704842 /nfs/dbraw/zinc/70/48/42/631704842.db2.gz YAXORYLDZYWKOZ-MRXNPFEDSA-N 1 1 298.434 3.164 20 10 CGCDMO Cc1cc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)ccc1N(C)C ZINC000815020057 631704847 /nfs/dbraw/zinc/70/48/47/631704847.db2.gz YAXORYLDZYWKOZ-MRXNPFEDSA-N 1 1 298.434 3.164 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)ccc1N(C)C ZINC000815020057 631704855 /nfs/dbraw/zinc/70/48/55/631704855.db2.gz YAXORYLDZYWKOZ-MRXNPFEDSA-N 1 1 298.434 3.164 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)ccc1N(C)C ZINC000815020056 631705284 /nfs/dbraw/zinc/70/52/84/631705284.db2.gz YAXORYLDZYWKOZ-INIZCTEOSA-N 1 1 298.434 3.164 20 10 CGCDMO Cc1cc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)ccc1N(C)C ZINC000815020056 631705289 /nfs/dbraw/zinc/70/52/89/631705289.db2.gz YAXORYLDZYWKOZ-INIZCTEOSA-N 1 1 298.434 3.164 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)ccc1N(C)C ZINC000815020056 631705295 /nfs/dbraw/zinc/70/52/95/631705295.db2.gz YAXORYLDZYWKOZ-INIZCTEOSA-N 1 1 298.434 3.164 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@H]2C2CC2)ccc1N(C)C ZINC000815037327 631706356 /nfs/dbraw/zinc/70/63/56/631706356.db2.gz HYEMUXJIPNSNOD-KRWDZBQOSA-N 1 1 258.409 3.435 20 10 CGCDMO Cc1cc(C[N@H+](C)[C@@]2(CO)CC[C@H](C)C2)ccc1N(C)C ZINC000815095674 631716763 /nfs/dbraw/zinc/71/67/63/631716763.db2.gz FVUGYZIPDBDMKB-KSSFIOAISA-N 1 1 290.451 3.044 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCOC1)c1cccc(C(F)(F)F)c1O ZINC000815565344 631796309 /nfs/dbraw/zinc/79/63/09/631796309.db2.gz LETMAGLCEUOOBQ-ZJUUUORDSA-N 1 1 289.297 3.098 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1cc[nH]c(=O)c1 ZINC000815642539 631810660 /nfs/dbraw/zinc/81/06/60/631810660.db2.gz FKRXBIMTCZSZRD-ZJUUUORDSA-N 1 1 276.311 3.044 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(F)cc1O ZINC000815642375 631810792 /nfs/dbraw/zinc/81/07/92/631810792.db2.gz AEQLMFJWLJYBIM-IINYFYTJSA-N 1 1 290.338 3.434 20 10 CGCDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3ccccc3c2O)C1 ZINC000816608094 632023151 /nfs/dbraw/zinc/02/31/51/632023151.db2.gz OXAVLRVVNODCCH-GASCZTMLSA-N 1 1 271.360 3.155 20 10 CGCDMO Cc1cc(C[NH2+][C@H](C)c2ccc(F)cc2O)cc(C)n1 ZINC000817588734 632193258 /nfs/dbraw/zinc/19/32/58/632193258.db2.gz JPVALVJCQMPINP-GFCCVEGCSA-N 1 1 274.339 3.394 20 10 CGCDMO COc1ccc(O)c([C@H](C)NCC2([NH3+])CCCCCC2)c1 ZINC000817943406 632241893 /nfs/dbraw/zinc/24/18/93/632241893.db2.gz MYGKNALWCVQYPN-ZDUSSCGKSA-N 1 1 292.423 3.103 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817952096 632248077 /nfs/dbraw/zinc/24/80/77/632248077.db2.gz NEIVBXQZJAYNHB-DTWKUNHWSA-N 1 1 289.206 3.102 20 10 CGCDMO CCN(C)c1ccc([C@H](C)N[C@@H](C[NH3+])CC(C)C)cc1 ZINC000817958149 632253573 /nfs/dbraw/zinc/25/35/73/632253573.db2.gz IKKJUZXBCMABOP-GOEBONIOSA-N 1 1 277.456 3.167 20 10 CGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c1[O-] ZINC000817965003 632259965 /nfs/dbraw/zinc/25/99/65/632259965.db2.gz MIVVJVHTHIAYCY-GFCCVEGCSA-N 1 1 296.842 3.394 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c1[O-] ZINC000817968205 632261258 /nfs/dbraw/zinc/26/12/58/632261258.db2.gz HKBWCYCPARRTRK-AAEUAGOBSA-N 1 1 282.815 3.147 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(Cl)ccc1[O-] ZINC000817976952 632268920 /nfs/dbraw/zinc/26/89/20/632268920.db2.gz XMEOSMHHRLGRDM-ZFWWWQNUSA-N 1 1 294.826 3.228 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cc(Cl)ccc1[O-] ZINC000817986710 632274479 /nfs/dbraw/zinc/27/44/79/632274479.db2.gz NMNBJCZSHHJQEV-CIQGVGRVSA-N 1 1 294.826 3.084 20 10 CGCDMO C[C@H]1CC2(C[N@@H+]1Cc1cc(Cl)ccc1[O-])CC[NH2+]CC2 ZINC000818431991 632317897 /nfs/dbraw/zinc/31/78/97/632317897.db2.gz ZUQNBEITDYEYTA-LBPRGKRZSA-N 1 1 294.826 3.010 20 10 CGCDMO C[C@H]1CC2(C[N@H+]1Cc1cc(Cl)ccc1[O-])CC[NH2+]CC2 ZINC000818431991 632317903 /nfs/dbraw/zinc/31/79/03/632317903.db2.gz ZUQNBEITDYEYTA-LBPRGKRZSA-N 1 1 294.826 3.010 20 10 CGCDMO CCC[C@@H](CCO)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000866414314 633127165 /nfs/dbraw/zinc/12/71/65/633127165.db2.gz CYDCDDVELIOHFS-PWSUYJOCSA-N 1 1 271.788 3.247 20 10 CGCDMO Cc1ccccc1CC[N@H+](C)Cc1ccccc1O ZINC000824554662 633258753 /nfs/dbraw/zinc/25/87/53/633258753.db2.gz KDIMDAMHGAPUJX-UHFFFAOYSA-N 1 1 255.361 3.375 20 10 CGCDMO CCC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876575714 634861556 /nfs/dbraw/zinc/86/15/56/634861556.db2.gz PZIJZKAMSWLGPR-UHFFFAOYSA-N 1 1 288.435 3.022 20 10 CGCDMO CO[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@H]1C ZINC000824815446 633295221 /nfs/dbraw/zinc/29/52/21/633295221.db2.gz PHADIHVQVBZQIB-NOZJJQNGSA-N 1 1 287.762 3.042 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@H]1C ZINC000824815446 633295223 /nfs/dbraw/zinc/29/52/23/633295223.db2.gz PHADIHVQVBZQIB-NOZJJQNGSA-N 1 1 287.762 3.042 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C[C@H](C)O)cc1Cl ZINC000824829676 633296346 /nfs/dbraw/zinc/29/63/46/633296346.db2.gz KGXODJPYXQMXAU-AAEUAGOBSA-N 1 1 283.799 3.089 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000876584897 634862650 /nfs/dbraw/zinc/86/26/50/634862650.db2.gz RYYHHKPDKIFNMY-MRXNPFEDSA-N 1 1 268.360 3.433 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC3(C2)CCOCC3)cc1Cl ZINC000824913854 633305288 /nfs/dbraw/zinc/30/52/88/633305288.db2.gz ZMQVQZVUCDQAKB-UHFFFAOYSA-N 1 1 295.810 3.357 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c1 ZINC000824941366 633309276 /nfs/dbraw/zinc/30/92/76/633309276.db2.gz MUOHXZRTSRWNRA-NVXWUHKLSA-N 1 1 257.377 3.321 20 10 CGCDMO CCCc1ncc(C[NH2+]Cc2c(O)cccc2Cl)o1 ZINC000825086879 633327061 /nfs/dbraw/zinc/32/70/61/633327061.db2.gz WHLIFMIBMYIGIU-UHFFFAOYSA-N 1 1 280.755 3.276 20 10 CGCDMO CC[C@H]1CC[N@H+]1Cc1ccc(Br)cc1O ZINC000825992163 633394733 /nfs/dbraw/zinc/39/47/33/633394733.db2.gz SMJZMBZOJJYEMR-NSHDSACASA-N 1 1 270.170 3.139 20 10 CGCDMO CC(C)Oc1ccc(N(C)Cc2c[nH+]c3n2CCC3)cc1 ZINC000825699205 633375355 /nfs/dbraw/zinc/37/53/55/633375355.db2.gz SQARLFVGAKESTP-UHFFFAOYSA-N 1 1 285.391 3.253 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)cc1Cl ZINC000825731034 633377982 /nfs/dbraw/zinc/37/79/82/633377982.db2.gz CIZDJWWHHKTRLA-GXTWGEPZSA-N 1 1 297.826 3.479 20 10 CGCDMO CCCC[N@@H+](Cc1cnc(C)n1C)Cc1ccccc1O ZINC000825788997 633382019 /nfs/dbraw/zinc/38/20/19/633382019.db2.gz LWRADDWEGMHYCC-UHFFFAOYSA-N 1 1 287.407 3.236 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2O)C[C@@H]1C ZINC000826063019 633401638 /nfs/dbraw/zinc/40/16/38/633401638.db2.gz ZTPJZCJQADSTEV-XHDPSFHLSA-N 1 1 283.799 3.211 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000827377478 633486911 /nfs/dbraw/zinc/48/69/11/633486911.db2.gz ZCUYHKJFTINDGH-QAPCUYQASA-N 1 1 289.419 3.482 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@H](c3cccnc3)C2)ccc1N(C)C ZINC000829522364 633746833 /nfs/dbraw/zinc/74/68/33/633746833.db2.gz FHGDCVSYEXKMNW-SFHVURJKSA-N 1 1 295.430 3.446 20 10 CGCDMO CC[C@H]([NH2+]CCC1(CO)CCC1)c1ccc(F)cc1O ZINC000846210753 636159267 /nfs/dbraw/zinc/15/92/67/636159267.db2.gz PGYCGWDDDIXERW-AWEZNQCLSA-N 1 1 281.371 3.125 20 10 CGCDMO Cc1cc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000872783912 634209942 /nfs/dbraw/zinc/20/99/42/634209942.db2.gz DFWZOUZELLRKPJ-GASCZTMLSA-N 1 1 289.419 3.076 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCc3sccc3C2)c1 ZINC000124295076 634218081 /nfs/dbraw/zinc/21/80/81/634218081.db2.gz YPWIZVCSOHJJHF-UHFFFAOYSA-N 1 1 289.400 3.411 20 10 CGCDMO CCCOc1ccc(C[NH2+]Cc2cc(C)no2)cc1C ZINC000873044372 634236532 /nfs/dbraw/zinc/23/65/32/634236532.db2.gz LFFXKEBDCJEAHP-UHFFFAOYSA-N 1 1 274.364 3.370 20 10 CGCDMO COC1(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)CCCC1 ZINC000834815405 634247196 /nfs/dbraw/zinc/24/71/96/634247196.db2.gz VIOTXJVFXGNJMJ-SNVBAGLBSA-N 1 1 285.334 3.280 20 10 CGCDMO CCC[C@H](C[NH2+][C@@H](CC)c1ccc(F)cc1O)OC ZINC000834839949 634253852 /nfs/dbraw/zinc/25/38/52/634253852.db2.gz GCVIKEOTEHCEEB-OCCSQVGLSA-N 1 1 269.360 3.387 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccc(F)cc1O ZINC000834877093 634263155 /nfs/dbraw/zinc/26/31/55/634263155.db2.gz XWFQUFWTRFLKNZ-GXFFZTMASA-N 1 1 269.360 3.122 20 10 CGCDMO Cc1ccc([C@@H](C)[NH2+]Cc2nn(C)cc2Cl)c(O)c1C ZINC000834883263 634265437 /nfs/dbraw/zinc/26/54/37/634265437.db2.gz OSEUADKMWHYNQF-LLVKDONJSA-N 1 1 293.798 3.247 20 10 CGCDMO Cc1ccncc1C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000834885879 634266834 /nfs/dbraw/zinc/26/68/34/634266834.db2.gz GIZUUQZQAIRDMA-JTQLQIEISA-N 1 1 278.302 3.225 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)CC2CCOCC2)cc1 ZINC000835029430 634326310 /nfs/dbraw/zinc/32/63/10/634326310.db2.gz QVYJYPKFTCYHCG-PLNGDYQASA-N 1 1 288.435 3.124 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)Cc2ccccn2)cc1 ZINC000835048529 634335611 /nfs/dbraw/zinc/33/56/11/634335611.db2.gz TZLQYKBDTYZSCN-VOTSOKGWSA-N 1 1 281.403 3.293 20 10 CGCDMO CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)C[C@@H](C)OC ZINC000835055751 634339217 /nfs/dbraw/zinc/33/92/17/634339217.db2.gz OGQRHLFECVNODJ-ZPIQOJFGSA-N 1 1 276.424 3.123 20 10 CGCDMO C[N@H+](CCCC[NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000835063388 634343611 /nfs/dbraw/zinc/34/36/11/634343611.db2.gz XUNUGGPQTQKFMN-UHFFFAOYSA-N 1 1 282.815 3.010 20 10 CGCDMO C[N@@H+](CCCC[NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000835063388 634343618 /nfs/dbraw/zinc/34/36/18/634343618.db2.gz XUNUGGPQTQKFMN-UHFFFAOYSA-N 1 1 282.815 3.010 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)cc1 ZINC000102675129 634836364 /nfs/dbraw/zinc/83/63/64/634836364.db2.gz FJHFCVSLMWFTEQ-UHFFFAOYSA-N 1 1 298.386 3.113 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000876643329 634874872 /nfs/dbraw/zinc/87/48/72/634874872.db2.gz XDVCFUHJJCNDGT-TXEJJXNPSA-N 1 1 251.395 3.026 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000876765704 634894813 /nfs/dbraw/zinc/89/48/13/634894813.db2.gz XFNPXOSPYUAIRW-UHFFFAOYSA-N 1 1 271.282 3.395 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCOC[C@H]2c2ccccc2)c(O)c1 ZINC000876770363 634896209 /nfs/dbraw/zinc/89/62/09/634896209.db2.gz DONJQNMMLPQUEO-KRWDZBQOSA-N 1 1 283.371 3.274 20 10 CGCDMO Cc1ccc(C[N@H+]2CCOC[C@H]2c2ccccc2)c(O)c1 ZINC000876770363 634896213 /nfs/dbraw/zinc/89/62/13/634896213.db2.gz DONJQNMMLPQUEO-KRWDZBQOSA-N 1 1 283.371 3.274 20 10 CGCDMO CCc1cnc(C[N@H+](C)Cc2ccc(C)cc2O)s1 ZINC000876779972 634898292 /nfs/dbraw/zinc/89/82/92/634898292.db2.gz PNTYAUFMVGDJDQ-UHFFFAOYSA-N 1 1 276.405 3.352 20 10 CGCDMO CCc1cnc(C[N@@H+](C)Cc2ccc(C)cc2O)s1 ZINC000876779972 634898296 /nfs/dbraw/zinc/89/82/96/634898296.db2.gz PNTYAUFMVGDJDQ-UHFFFAOYSA-N 1 1 276.405 3.352 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2cnccc2C)c(O)c1 ZINC000877492284 635059032 /nfs/dbraw/zinc/05/90/32/635059032.db2.gz UCNSKOHWJKNBCB-UHFFFAOYSA-N 1 1 256.349 3.036 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)c1csnn1)c1ccc(C)cc1O ZINC000840885305 635074184 /nfs/dbraw/zinc/07/41/84/635074184.db2.gz BKAZZOSAZSICCL-PWSUYJOCSA-N 1 1 277.393 3.354 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)C[C@H]2CCCOC2)c(Cl)c1 ZINC000840914781 635081620 /nfs/dbraw/zinc/08/16/20/635081620.db2.gz YVDZLYKLSRNASV-GFCCVEGCSA-N 1 1 283.799 3.212 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1cccnc1 ZINC000840938232 635085900 /nfs/dbraw/zinc/08/59/00/635085900.db2.gz ZUCYQCVUDSRNEA-UHFFFAOYSA-N 1 1 269.392 3.088 20 10 CGCDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840940795 635087463 /nfs/dbraw/zinc/08/74/63/635087463.db2.gz GAVNBAYQHBCIPI-GOSISDBHSA-N 1 1 290.451 3.452 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCCCC[C@@H]1CCO ZINC000840943510 635089707 /nfs/dbraw/zinc/08/97/07/635089707.db2.gz SWDONKWSESJVEJ-QGZVFWFLSA-N 1 1 290.451 3.188 20 10 CGCDMO Cc1cc(O)c(C[NH+]2CC(C(F)F)C2)c(Cl)c1 ZINC000840953752 635092424 /nfs/dbraw/zinc/09/24/24/635092424.db2.gz YPFQPDCTZGWEKT-UHFFFAOYSA-N 1 1 261.699 3.051 20 10 CGCDMO CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000841020556 635108404 /nfs/dbraw/zinc/10/84/04/635108404.db2.gz YRLBCTOTXTVSHA-HOTGVXAUSA-N 1 1 290.451 3.382 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000841020556 635108408 /nfs/dbraw/zinc/10/84/08/635108408.db2.gz YRLBCTOTXTVSHA-HOTGVXAUSA-N 1 1 290.451 3.382 20 10 CGCDMO CN(C)c1ccc([C@@H]([NH3+])CNC/C=C/c2ccccc2)cc1 ZINC000841043986 635113378 /nfs/dbraw/zinc/11/33/78/635113378.db2.gz SHDYJDTYBANKQZ-AIADIJKESA-N 1 1 295.430 3.055 20 10 CGCDMO COc1ccc(C[N@H+]2Cc3cccc(O)c3C2)c(C)c1OC ZINC000877703193 635155100 /nfs/dbraw/zinc/15/51/00/635155100.db2.gz VOQZMLHGMAUSAD-UHFFFAOYSA-N 1 1 299.370 3.234 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@H+]2Cc3cccc(O)c3C2)cc1 ZINC000877703286 635155580 /nfs/dbraw/zinc/15/55/80/635155580.db2.gz ZZJHRQQVMANSTK-SNAWJCMRSA-N 1 1 294.398 3.487 20 10 CGCDMO C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1ccc(Cl)cc1O ZINC000841751183 635225602 /nfs/dbraw/zinc/22/56/02/635225602.db2.gz MEUPTKPFIRUBLD-WDEREUQCSA-N 1 1 285.815 3.493 20 10 CGCDMO CCC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841755786 635229612 /nfs/dbraw/zinc/22/96/12/635229612.db2.gz RXYXUTBAHCUWLE-NEPJUHHUSA-N 1 1 285.815 3.495 20 10 CGCDMO C[C@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(Cl)cc1O ZINC000841756840 635230129 /nfs/dbraw/zinc/23/01/29/635230129.db2.gz AOYBXRYZLHBTFU-IINYFYTJSA-N 1 1 269.772 3.123 20 10 CGCDMO C[C@@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(Cl)cc1O ZINC000841758258 635231255 /nfs/dbraw/zinc/23/12/55/635231255.db2.gz KVZMYYAQBSCWJO-CKQAKLJMSA-N 1 1 283.799 3.390 20 10 CGCDMO CO[C@H]1C[C@@H](C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000877976015 635302548 /nfs/dbraw/zinc/30/25/48/635302548.db2.gz FITGNTLWEVAJNX-MAEOIBBWSA-N 1 1 290.451 3.388 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCc3ccsc3C2)cc1 ZINC000127040455 635448216 /nfs/dbraw/zinc/44/82/16/635448216.db2.gz CZAYHRDFUHKDFU-UHFFFAOYSA-N 1 1 272.417 3.372 20 10 CGCDMO CN(C)c1ccc(C[NH2+]Cc2ccno2)c(C(F)(F)F)c1 ZINC000843402837 635660434 /nfs/dbraw/zinc/66/04/34/635660434.db2.gz PQOQMWARJAUXFZ-UHFFFAOYSA-N 1 1 299.296 3.049 20 10 CGCDMO COc1ccc(N(C)CC[N@@H+](C)CCC(F)(F)F)cc1 ZINC000844401765 635891318 /nfs/dbraw/zinc/89/13/18/635891318.db2.gz QDUMXTNGVUGKQL-UHFFFAOYSA-N 1 1 290.329 3.016 20 10 CGCDMO Cc1cc(C[N@H+](C)[C@@H](C)CCO)ccc1N1CCCCC1 ZINC000844450739 635906607 /nfs/dbraw/zinc/90/66/07/635906607.db2.gz PYGTYDUXCURNAG-INIZCTEOSA-N 1 1 290.451 3.188 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c(O)cc1C ZINC000844750349 635958973 /nfs/dbraw/zinc/95/89/73/635958973.db2.gz KPHWYBRVYHUBIK-HNNXBMFYSA-N 1 1 297.345 3.330 20 10 CGCDMO [O-]c1cccc(Cl)c1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000128325946 635968291 /nfs/dbraw/zinc/96/82/91/635968291.db2.gz SIOBAKZSRJHZRE-OAHLLOKOSA-N 1 1 294.826 3.010 20 10 CGCDMO CCc1cc(NCc2cc(Cl)ccc2O)nc(C)[nH+]1 ZINC000845709248 636084682 /nfs/dbraw/zinc/08/46/82/636084682.db2.gz PHRUQILEQKRJSO-UHFFFAOYSA-N 1 1 277.755 3.319 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC23CCCC3)cc1F ZINC000846000382 636128529 /nfs/dbraw/zinc/12/85/29/636128529.db2.gz QITYMGWZTPKULG-UHFFFAOYSA-N 1 1 262.372 3.410 20 10 CGCDMO CC[N@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCCOC1 ZINC000846051070 636138481 /nfs/dbraw/zinc/13/84/81/636138481.db2.gz ARJDKSPUCQNYMT-NSHDSACASA-N 1 1 287.762 3.186 20 10 CGCDMO CC[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCCOC1 ZINC000846051070 636138483 /nfs/dbraw/zinc/13/84/83/636138483.db2.gz ARJDKSPUCQNYMT-NSHDSACASA-N 1 1 287.762 3.186 20 10 CGCDMO CC[N@H+](Cc1c(O)ccc(Cl)c1F)[C@@H]1CCCOC1 ZINC000846051592 636138913 /nfs/dbraw/zinc/13/89/13/636138913.db2.gz GWADSCNRHOOMIE-SNVBAGLBSA-N 1 1 287.762 3.186 20 10 CGCDMO CC[N@@H+](Cc1c(O)ccc(Cl)c1F)[C@@H]1CCCOC1 ZINC000846051592 636138917 /nfs/dbraw/zinc/13/89/17/636138917.db2.gz GWADSCNRHOOMIE-SNVBAGLBSA-N 1 1 287.762 3.186 20 10 CGCDMO CCC[N@@H+](Cc1ccc2nonc2c1)Cc1ccccc1O ZINC000846809099 636247259 /nfs/dbraw/zinc/24/72/59/636247259.db2.gz MMCGTJOOBHLNTJ-UHFFFAOYSA-N 1 1 297.358 3.341 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@H]1COCc2ccccc21 ZINC000883146845 636556316 /nfs/dbraw/zinc/55/63/16/636556316.db2.gz BABPQCBKZQYEMO-HNNXBMFYSA-N 1 1 291.297 3.032 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000883161050 636559327 /nfs/dbraw/zinc/55/93/27/636559327.db2.gz IREGCVHFNRXUTQ-LSDHHAIUSA-N 1 1 297.345 3.108 20 10 CGCDMO C[C@H]([NH2+]C1(c2ncccn2)CCC1)c1cc(F)ccc1O ZINC000883311674 636662256 /nfs/dbraw/zinc/66/22/56/636662256.db2.gz ITWOBMLTNAWYJS-NSHDSACASA-N 1 1 287.338 3.051 20 10 CGCDMO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000131482326 636666522 /nfs/dbraw/zinc/66/65/22/636666522.db2.gz MEBLWDZYHGNHGP-MFKMUULPSA-N 1 1 269.772 3.045 20 10 CGCDMO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc(Cl)ccc1O ZINC000131482326 636666525 /nfs/dbraw/zinc/66/65/25/636666525.db2.gz MEBLWDZYHGNHGP-MFKMUULPSA-N 1 1 269.772 3.045 20 10 CGCDMO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1c(O)cccc1Cl ZINC000131501303 636670715 /nfs/dbraw/zinc/67/07/15/636670715.db2.gz JNBRIRGVTBBWHP-MNOVXSKESA-N 1 1 269.772 3.045 20 10 CGCDMO CCc1cccc(C[N@H+]2CCSC(C)(C)C2)c1O ZINC000848886284 636675153 /nfs/dbraw/zinc/67/51/53/636675153.db2.gz DDKZHUONVIJCCO-UHFFFAOYSA-N 1 1 265.422 3.282 20 10 CGCDMO CCc1cccc(CN2CC[C@@H](C[NH+](CC)CC)C2)c1O ZINC000848888209 636676069 /nfs/dbraw/zinc/67/60/69/636676069.db2.gz OWIPVJCZKUIRDB-HNNXBMFYSA-N 1 1 290.451 3.118 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1O ZINC000848888452 636676555 /nfs/dbraw/zinc/67/65/55/636676555.db2.gz BGEIJYFOAQASIW-RDJZCZTQSA-N 1 1 289.419 3.203 20 10 CGCDMO CCc1cccc(C[N@@H+](CC)CCc2nccs2)c1O ZINC000848889354 636676638 /nfs/dbraw/zinc/67/66/38/636676638.db2.gz IUWBGNUSANQQCD-UHFFFAOYSA-N 1 1 290.432 3.476 20 10 CGCDMO CCc1cccc(C[N@H+]2C[C@H](N3CCCC3)C[C@H]2C)c1O ZINC000848909880 636686227 /nfs/dbraw/zinc/68/62/27/636686227.db2.gz BYVOYNBBQOJHJA-RHSMWYFYSA-N 1 1 288.435 3.013 20 10 CGCDMO CCc1cccc(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1O ZINC000848909880 636686228 /nfs/dbraw/zinc/68/62/28/636686228.db2.gz BYVOYNBBQOJHJA-RHSMWYFYSA-N 1 1 288.435 3.013 20 10 CGCDMO CCC[N@@H+](Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000848923121 636694262 /nfs/dbraw/zinc/69/42/62/636694262.db2.gz GQIDBGBUFSOHNN-UHFFFAOYSA-N 1 1 276.424 3.144 20 10 CGCDMO Cc1ccc(O)c(CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000850381394 637040287 /nfs/dbraw/zinc/04/02/87/637040287.db2.gz DCKKVABTAPRMAH-MRXNPFEDSA-N 1 1 288.435 3.197 20 10 CGCDMO Cc1ccc(O)c(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000850381394 637040291 /nfs/dbraw/zinc/04/02/91/637040291.db2.gz DCKKVABTAPRMAH-MRXNPFEDSA-N 1 1 288.435 3.197 20 10 CGCDMO CC[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1ccc(N(C)C)cc1 ZINC000850499106 637091124 /nfs/dbraw/zinc/09/11/24/637091124.db2.gz JNTOUDJHDXKWGV-KCXAZCMYSA-N 1 1 299.422 3.091 20 10 CGCDMO C[C@H](CN1CCC(C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000850544458 637115692 /nfs/dbraw/zinc/11/56/92/637115692.db2.gz XGDHLCMKLIUNPN-KGLIPLIRSA-N 1 1 294.414 3.302 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)c1nccn1C)c1ccc(F)cc1O ZINC000850571870 637128778 /nfs/dbraw/zinc/12/87/78/637128778.db2.gz DGTIKSVVNLAJED-GWCFXTLKSA-N 1 1 277.343 3.067 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@H](C(C)C)C2)c1O ZINC000135648744 637150569 /nfs/dbraw/zinc/15/05/69/637150569.db2.gz BUBDISLNIBXAKG-ZDUSSCGKSA-N 1 1 263.381 3.269 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H]1CC[C@H](OC)C1 ZINC000851792981 637504951 /nfs/dbraw/zinc/50/49/51/637504951.db2.gz VUIGTHLCOAMFET-CABCVRRESA-N 1 1 263.381 3.172 20 10 CGCDMO CO[C@H](C[N@@H+](C)Cc1ccccc1O)C1CCCCC1 ZINC000851841297 637519136 /nfs/dbraw/zinc/51/91/36/637519136.db2.gz OPOYNCGQBMDAGF-QGZVFWFLSA-N 1 1 277.408 3.419 20 10 CGCDMO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1c(O)cccc1F ZINC000886498907 637543994 /nfs/dbraw/zinc/54/39/94/637543994.db2.gz UPVFFRUWXFGNJU-BMIGLBTASA-N 1 1 293.313 3.055 20 10 CGCDMO C[C@H]([NH2+]CC1CCSCC1)c1c(O)cccc1F ZINC000886526610 637553840 /nfs/dbraw/zinc/55/38/40/637553840.db2.gz OPDCYIUWYPDMTH-JTQLQIEISA-N 1 1 269.385 3.325 20 10 CGCDMO CSCC[C@@H](C)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886530248 637556279 /nfs/dbraw/zinc/55/62/79/637556279.db2.gz HASVMIZVKMUCCH-NXEZZACHSA-N 1 1 257.374 3.324 20 10 CGCDMO C[C@@H]([NH2+]CCNc1ccccc1)c1c(O)cccc1F ZINC000886537410 637561926 /nfs/dbraw/zinc/56/19/26/637561926.db2.gz ZXVZXCMEFFGLHX-GFCCVEGCSA-N 1 1 274.339 3.294 20 10 CGCDMO C[C@@H](C[NH2+][C@H](C)c1c(O)cccc1F)c1ccncc1 ZINC000886536731 637562373 /nfs/dbraw/zinc/56/23/73/637562373.db2.gz NVDZGEVPDUOVSJ-NWDGAFQWSA-N 1 1 274.339 3.381 20 10 CGCDMO Cc1cnccc1CC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886556660 637579699 /nfs/dbraw/zinc/57/96/99/637579699.db2.gz HHPGGFNQVGPHIZ-LBPRGKRZSA-N 1 1 274.339 3.128 20 10 CGCDMO C[C@@H](O)[C@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1ccccc1 ZINC000886640325 637624705 /nfs/dbraw/zinc/62/47/05/637624705.db2.gz WTTKSDSQPLJBBI-JKDFXYPNSA-N 1 1 289.350 3.304 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]3COC[C@H]3C2)cc1C(C)C ZINC000853585612 637870531 /nfs/dbraw/zinc/87/05/31/637870531.db2.gz HSFKYWRXAKVSOE-GDBMZVCRSA-N 1 1 289.419 3.292 20 10 CGCDMO CC[C@H]([NH2+]CC1([NH3+])CCCC1)c1cc(Cl)ccc1[O-] ZINC000854222313 638026383 /nfs/dbraw/zinc/02/63/83/638026383.db2.gz DLHPUPUBDLGCFB-ZDUSSCGKSA-N 1 1 282.815 3.358 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)NCC2([NH3+])CCCC2)c1O ZINC000854222841 638026632 /nfs/dbraw/zinc/02/66/32/638026632.db2.gz LPSQUYYXBDFGFR-NSHDSACASA-N 1 1 282.815 3.276 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)cc1[O-] ZINC000858491661 638743148 /nfs/dbraw/zinc/74/31/48/638743148.db2.gz MTIKUDJLTKDUFD-QWHCGFSZSA-N 1 1 296.842 3.428 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1c(O)cccc1F ZINC000927028284 638833587 /nfs/dbraw/zinc/83/35/87/638833587.db2.gz MCJLBFIEVQBEHB-GMTAPVOTSA-N 1 1 269.385 3.466 20 10 CGCDMO COC[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)C(C)C ZINC000927096032 638841133 /nfs/dbraw/zinc/84/11/33/638841133.db2.gz IUYFBHVJMNTOIG-NWDGAFQWSA-N 1 1 269.360 3.101 20 10 CGCDMO COC[C@H](C[NH2+][C@H](C)c1c(O)cccc1F)C(C)C ZINC000927096379 638841160 /nfs/dbraw/zinc/84/11/60/638841160.db2.gz WQKZYPDARCKOAG-NEPJUHHUSA-N 1 1 269.360 3.101 20 10 CGCDMO CO[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000858584523 638997687 /nfs/dbraw/zinc/99/76/87/638997687.db2.gz SEDALFVYVAJPPI-OPRDCNLKSA-N 1 1 289.297 3.239 20 10 CGCDMO CCC(O)(CC)C[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000860067504 639277974 /nfs/dbraw/zinc/27/79/74/639277974.db2.gz LAIUWQPNKLDIJS-UHFFFAOYSA-N 1 1 278.440 3.044 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCS[C@H](C)[C@@H]2C)cc1C ZINC000118382119 639599368 /nfs/dbraw/zinc/59/93/68/639599368.db2.gz VKFSDYAAPXYQAJ-QWHCGFSZSA-N 1 1 265.422 3.335 20 10 CGCDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000118381778 639599670 /nfs/dbraw/zinc/59/96/70/639599670.db2.gz JYSJMPTVKGCDED-NEPJUHHUSA-N 1 1 277.433 3.207 20 10 CGCDMO CSC[C@@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000191127461 640292107 /nfs/dbraw/zinc/29/21/07/640292107.db2.gz OCCAFLBAKSCPEA-SSDOTTSWSA-N 1 1 263.765 3.026 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCO[C@H](C(F)F)C2)cc1C(C)C ZINC000193437549 640458053 /nfs/dbraw/zinc/45/80/53/640458053.db2.gz ODWYFOJEJRWJAE-HNNXBMFYSA-N 1 1 299.361 3.290 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@H](C(F)F)C2)cc1C(C)C ZINC000193437549 640458062 /nfs/dbraw/zinc/45/80/62/640458062.db2.gz ODWYFOJEJRWJAE-HNNXBMFYSA-N 1 1 299.361 3.290 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1C ZINC000245570098 640627575 /nfs/dbraw/zinc/62/75/75/640627575.db2.gz WSJNCBGLFGYHOY-CVEARBPZSA-N 1 1 288.435 3.144 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1C ZINC000092737248 640743967 /nfs/dbraw/zinc/74/39/67/640743967.db2.gz WSJNCBGLFGYHOY-HZPDHXFCSA-N 1 1 288.435 3.144 20 10 CGCDMO COc1ccc(C[NH2+]Cc2nc3c(s2)CCC3)cc1C ZINC000093066767 640753856 /nfs/dbraw/zinc/75/38/56/640753856.db2.gz IVRLOUMAJICBOL-UHFFFAOYSA-N 1 1 288.416 3.239 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@@H](CC(C)C)C2)c1O ZINC000093338539 640768291 /nfs/dbraw/zinc/76/82/91/640768291.db2.gz HFSUVXIJDHMWEG-ZDUSSCGKSA-N 1 1 263.381 3.269 20 10 CGCDMO Cc1nc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cs1 ZINC000094617837 640799929 /nfs/dbraw/zinc/79/99/29/640799929.db2.gz HMJXIFXIEXUQHN-QMMMGPOBSA-N 1 1 266.341 3.147 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)[C@H]2CCOC(C)(C)C2)cc1 ZINC001255553606 806672594 /nfs/dbraw/zinc/67/25/94/806672594.db2.gz MZGJHSRAPVQORX-INIZCTEOSA-N 1 1 276.424 3.142 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCc3sccc3C2)c1 ZINC000138549479 799039645 /nfs/dbraw/zinc/03/96/45/799039645.db2.gz NWVVVCUDMGQYTL-UHFFFAOYSA-N 1 1 275.373 3.021 20 10 CGCDMO CC/C=C\C[NH2+]Cc1cccc(Br)c1O ZINC000384981624 799420189 /nfs/dbraw/zinc/42/01/89/799420189.db2.gz JNLNJPLSXCYNJF-ARJAWSKDSA-N 1 1 270.170 3.211 20 10 CGCDMO CC[C@H]([NH2+]Cc1nn(C)cc1Cl)c1ccccc1O ZINC000393330578 799485842 /nfs/dbraw/zinc/48/58/42/799485842.db2.gz RBYPMGGUMRJRNQ-LBPRGKRZSA-N 1 1 279.771 3.020 20 10 CGCDMO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCC2(F)F)c1 ZINC000397990418 799524497 /nfs/dbraw/zinc/52/44/97/799524497.db2.gz IGWQQZJSSWBCSK-ZANVPECISA-N 1 1 271.307 3.239 20 10 CGCDMO CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)[C@H](C)CO1 ZINC000403863333 799572523 /nfs/dbraw/zinc/57/25/23/799572523.db2.gz ZXHZBJGGLWCBMZ-ZWNOBZJWSA-N 1 1 269.772 3.045 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)[C@H](C)CO1 ZINC000403863333 799572526 /nfs/dbraw/zinc/57/25/26/799572526.db2.gz ZXHZBJGGLWCBMZ-ZWNOBZJWSA-N 1 1 269.772 3.045 20 10 CGCDMO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cccc(C)c1O ZINC000403890104 799572568 /nfs/dbraw/zinc/57/25/68/799572568.db2.gz WMJCAHRGNIPWQP-CABCVRRESA-N 1 1 263.381 3.090 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](OC(C)C)C2)c1 ZINC000404540513 799578176 /nfs/dbraw/zinc/57/81/76/799578176.db2.gz FEWCVKGHHKYUTR-HNNXBMFYSA-N 1 1 263.381 3.090 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](CCF)C2)c1O ZINC000689883598 799770194 /nfs/dbraw/zinc/77/01/94/799770194.db2.gz GMBCREXGRYFOHK-ZDUSSCGKSA-N 1 1 281.371 3.363 20 10 CGCDMO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1cscn1 ZINC000697917462 799851678 /nfs/dbraw/zinc/85/16/78/799851678.db2.gz NRMKJRGBJWMSHK-QMMMGPOBSA-N 1 1 268.769 3.353 20 10 CGCDMO C[C@H]1CCCCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708421404 799988413 /nfs/dbraw/zinc/98/84/13/799988413.db2.gz FJMUMXBLRFWGJW-JTQLQIEISA-N 1 1 255.308 3.435 20 10 CGCDMO CCc1cccc(C[N@H+]2CCCO[C@@H](C(C)C)C2)c1O ZINC000709327590 800006433 /nfs/dbraw/zinc/00/64/33/800006433.db2.gz XEFNNOILBWJOHQ-MRXNPFEDSA-N 1 1 277.408 3.202 20 10 CGCDMO CC[NH+](CC)CC[C@@H](C)N(C)Cc1ccc(N(C)C)cc1 ZINC001255973367 806804678 /nfs/dbraw/zinc/80/46/78/806804678.db2.gz ZCIAABNWHNJBDD-MRXNPFEDSA-N 1 1 291.483 3.305 20 10 CGCDMO Cc1ncccc1C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886643079 800545756 /nfs/dbraw/zinc/54/57/56/800545756.db2.gz KQQLZHFYSHCSNY-NSHDSACASA-N 1 1 260.312 3.086 20 10 CGCDMO COc1cccc(C[N@@H+](C)[C@H]2CC[C@@H](SC)C2)c1O ZINC001116444862 802351291 /nfs/dbraw/zinc/35/12/91/802351291.db2.gz BQQRBINQYHGDIM-QWHCGFSZSA-N 1 1 281.421 3.117 20 10 CGCDMO COc1cccc(C[N@@H+](C)[C@@H]2CC[C@@H](SC)C2)c1O ZINC001116444860 802351369 /nfs/dbraw/zinc/35/13/69/802351369.db2.gz BQQRBINQYHGDIM-CHWSQXEVSA-N 1 1 281.421 3.117 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCc3cccc(O)c3C2)c1O ZINC001203615304 812406903 /nfs/dbraw/zinc/40/69/03/812406903.db2.gz PXMBYULVTSBIKR-UHFFFAOYSA-N 1 1 299.370 3.055 20 10 CGCDMO C[C@H]1Cc2ccccc2C[N@H+]1Cc1c([O-])cccc1F ZINC001137840077 803779700 /nfs/dbraw/zinc/77/97/00/803779700.db2.gz RGGVVZZDZBZHSR-LBPRGKRZSA-N 1 1 271.335 3.478 20 10 CGCDMO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1c(O)cccc1F ZINC001137840077 803779703 /nfs/dbraw/zinc/77/97/03/803779703.db2.gz RGGVVZZDZBZHSR-LBPRGKRZSA-N 1 1 271.335 3.478 20 10 CGCDMO C[C@H]1Cc2ccccc2C[N@H+]1Cc1c(O)cccc1F ZINC001137840077 803779707 /nfs/dbraw/zinc/77/97/07/803779707.db2.gz RGGVVZZDZBZHSR-LBPRGKRZSA-N 1 1 271.335 3.478 20 10 CGCDMO Cc1cc(C[N@H+]2CCCC[C@@H]2CO)c(C)n1-c1ccccc1 ZINC001137854463 803786568 /nfs/dbraw/zinc/78/65/68/803786568.db2.gz XVBVBJKICICXOU-LJQANCHMSA-N 1 1 298.430 3.441 20 10 CGCDMO C[C@]1(F)CCCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001138123878 803863895 /nfs/dbraw/zinc/86/38/95/803863895.db2.gz POPMJFDXRNMLDV-AWEZNQCLSA-N 1 1 255.308 3.245 20 10 CGCDMO C[C@]1(F)CCCC[N@H+](Cc2cccc(F)c2O)C1 ZINC001138123878 803863904 /nfs/dbraw/zinc/86/39/04/803863904.db2.gz POPMJFDXRNMLDV-AWEZNQCLSA-N 1 1 255.308 3.245 20 10 CGCDMO C[C@]1(F)CCCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC001138123878 803863914 /nfs/dbraw/zinc/86/39/14/803863914.db2.gz POPMJFDXRNMLDV-AWEZNQCLSA-N 1 1 255.308 3.245 20 10 CGCDMO C[C@H]1CC(=O)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001138215533 803875102 /nfs/dbraw/zinc/87/51/02/803875102.db2.gz IXDAQRGEHWLEAK-HNNXBMFYSA-N 1 1 286.419 3.230 20 10 CGCDMO C[C@H]1CC(=O)CC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001138215533 803875110 /nfs/dbraw/zinc/87/51/10/803875110.db2.gz IXDAQRGEHWLEAK-HNNXBMFYSA-N 1 1 286.419 3.230 20 10 CGCDMO Cc1c(C[N@H+]2CCC[C@H](O)[C@H](C)C2)c2ccccc2n1C ZINC001138252297 803879532 /nfs/dbraw/zinc/87/95/32/803879532.db2.gz AWECDGUSRMTCES-ACJLOTCBSA-N 1 1 286.419 3.080 20 10 CGCDMO Cc1c(C[N@H+](C)Cc2ccno2)c2ccccc2n1C ZINC001138259707 803883461 /nfs/dbraw/zinc/88/34/61/803883461.db2.gz MNYUOFFYKPRKLN-UHFFFAOYSA-N 1 1 269.348 3.107 20 10 CGCDMO Cc1c(C[N@@H+](C)Cc2ccno2)c2ccccc2n1C ZINC001138259707 803883471 /nfs/dbraw/zinc/88/34/71/803883471.db2.gz MNYUOFFYKPRKLN-UHFFFAOYSA-N 1 1 269.348 3.107 20 10 CGCDMO COC[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138354972 803900996 /nfs/dbraw/zinc/90/09/96/803900996.db2.gz XDMPJQVQUQMJGP-QGZVFWFLSA-N 1 1 288.435 3.070 20 10 CGCDMO CC[C@@H]1C[C@H](NCc2ccc3c(c2)CCO3)C[C@H](CC)[NH2+]1 ZINC001246201466 804205738 /nfs/dbraw/zinc/20/57/38/804205738.db2.gz VMCZVWRMNMWTBR-FVQHAEBGSA-N 1 1 288.435 3.020 20 10 CGCDMO Cc1cc(C[N@@H+](C)Cc2cccnc2C)ccc1N(C)C ZINC001139673952 804246992 /nfs/dbraw/zinc/24/69/92/804246992.db2.gz ODMDMBADZLKZSH-UHFFFAOYSA-N 1 1 283.419 3.396 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@@](C)(CO)CC2)ccc1N(C)C ZINC001139669708 804247723 /nfs/dbraw/zinc/24/77/23/804247723.db2.gz IQEPPYDXWCNKPI-GOSISDBHSA-N 1 1 290.451 3.046 20 10 CGCDMO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@](C)(O)CC2)ccc1N(C)C ZINC001139669788 804248306 /nfs/dbraw/zinc/24/83/06/804248306.db2.gz OAEDJQNGRGPVRW-CRAIPNDOSA-N 1 1 290.451 3.044 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C[C@H]1C ZINC001140057827 804365532 /nfs/dbraw/zinc/36/55/32/804365532.db2.gz PHRHVNPJQHWNEN-NWDGAFQWSA-N 1 1 251.345 3.399 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCC[C@@H]2c2ncccn2)c1O ZINC001140185507 804398088 /nfs/dbraw/zinc/39/80/88/804398088.db2.gz XYVBAQPNOCELLD-OAHLLOKOSA-N 1 1 283.375 3.136 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC001140467211 804443718 /nfs/dbraw/zinc/44/37/18/804443718.db2.gz PWTJWBADAZRFSV-CYBMUJFWSA-N 1 1 288.778 3.430 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001140466954 804444221 /nfs/dbraw/zinc/44/42/21/804444221.db2.gz NNNRITXERLJHRW-SECBINFHSA-N 1 1 279.689 3.430 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001140466082 804444246 /nfs/dbraw/zinc/44/42/46/804444246.db2.gz WNTLPGLUCMZVJP-ZDUSSCGKSA-N 1 1 295.810 3.294 20 10 CGCDMO CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1cc(C)ccc1O)C2 ZINC001140621612 804476280 /nfs/dbraw/zinc/47/62/80/804476280.db2.gz MRZNKVFPWSMIHH-AEFFLSMTSA-N 1 1 289.419 3.339 20 10 CGCDMO Nc1[nH+]cccc1Nc1ccccc1C(=O)c1ccncc1 ZINC001212409955 815021649 /nfs/dbraw/zinc/02/16/49/815021649.db2.gz DOWFWENYYMNMOY-UHFFFAOYSA-N 1 1 290.326 3.033 20 10 CGCDMO Cc1c(O)ccc(C[N@@H+](C)Cc2nc3ccccc3o2)c1O ZINC001140747358 804504574 /nfs/dbraw/zinc/50/45/74/804504574.db2.gz ACGKWFFGHFPVMT-UHFFFAOYSA-N 1 1 298.342 3.179 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](C)C[C@H]2CF)c(O)c1 ZINC001140850650 804533910 /nfs/dbraw/zinc/53/39/10/804533910.db2.gz PGMICXXVSUJRDI-BBRMVZONSA-N 1 1 294.414 3.418 20 10 CGCDMO CC[N@@H+](Cc1cccnc1)Cc1ccc(C)cc1O ZINC001140949661 804556067 /nfs/dbraw/zinc/55/60/67/804556067.db2.gz HJGNDVVGMPXAMG-UHFFFAOYSA-N 1 1 256.349 3.118 20 10 CGCDMO Cc1ccc(C[N@H+]2CCCC[C@@](C)(F)C2)c(O)c1 ZINC001140947805 804556855 /nfs/dbraw/zinc/55/68/55/804556855.db2.gz GJCLITMOIBMGAM-OAHLLOKOSA-N 1 1 251.345 3.415 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCC(=O)[C@@H](C)C23CCCC3)c(O)c1 ZINC001140954711 804557292 /nfs/dbraw/zinc/55/72/92/804557292.db2.gz WXGOSCDFYGNKGS-CQSZACIVSA-N 1 1 287.403 3.424 20 10 CGCDMO Cc1ccc(C[N@H+]2CCOC[C@H]2C2CCCCC2)c(O)c1 ZINC001140954245 804557358 /nfs/dbraw/zinc/55/73/58/804557358.db2.gz NVNPFMXEFFTIBE-KRWDZBQOSA-N 1 1 289.419 3.482 20 10 CGCDMO Cc1ccc([C@@H]2CCC[N@H+]2Cc2cc(O)ccc2O)cn1 ZINC001141161521 804601582 /nfs/dbraw/zinc/60/15/82/804601582.db2.gz TXOTYOJPGPVVHF-INIZCTEOSA-N 1 1 284.359 3.138 20 10 CGCDMO COc1cc(Cl)ncc1C[N@H+](C)Cc1ccccc1O ZINC001141344697 804634603 /nfs/dbraw/zinc/63/46/03/804634603.db2.gz JXNSSIUZFDEDGA-UHFFFAOYSA-N 1 1 292.766 3.081 20 10 CGCDMO COc1cc(Cl)ncc1C[N@@H+](C)Cc1ccccc1O ZINC001141344697 804634609 /nfs/dbraw/zinc/63/46/09/804634609.db2.gz JXNSSIUZFDEDGA-UHFFFAOYSA-N 1 1 292.766 3.081 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2[O-])[C@H](C)C1 ZINC001142525039 804731605 /nfs/dbraw/zinc/73/16/05/804731605.db2.gz UUIQQOWVSYCHHC-NXEZZACHSA-N 1 1 255.308 3.291 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)[C@H](C)C1 ZINC001142525039 804731607 /nfs/dbraw/zinc/73/16/07/804731607.db2.gz UUIQQOWVSYCHHC-NXEZZACHSA-N 1 1 255.308 3.291 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)[C@H](C)C1 ZINC001142525039 804731611 /nfs/dbraw/zinc/73/16/11/804731611.db2.gz UUIQQOWVSYCHHC-NXEZZACHSA-N 1 1 255.308 3.291 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CCC(=O)[C@H](F)CC2)c1O ZINC001143104723 804801683 /nfs/dbraw/zinc/80/16/83/804801683.db2.gz YKQAVXUZYFZNJQ-CQSZACIVSA-N 1 1 293.382 3.193 20 10 CGCDMO CC(C)(C)c1cccc(C[N@@H+]2CCC(=O)[C@H](F)CC2)c1O ZINC001143104723 804801689 /nfs/dbraw/zinc/80/16/89/804801689.db2.gz YKQAVXUZYFZNJQ-CQSZACIVSA-N 1 1 293.382 3.193 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c1O ZINC001143104049 804802398 /nfs/dbraw/zinc/80/23/98/804802398.db2.gz AZUUGHTWLKLUCA-KCQAQPDRSA-N 1 1 277.383 3.480 20 10 CGCDMO CC(C)(C)c1cc(O)c(C[NH+]2CC3(COC3)C2)cc1Cl ZINC001248880759 805029363 /nfs/dbraw/zinc/02/93/63/805029363.db2.gz MLAUATPRIUSLCO-UHFFFAOYSA-N 1 1 295.810 3.175 20 10 CGCDMO Cc1cc(C[N@H+]2C[C@H]3CC[C@@H]2C3)c(O)cc1Br ZINC001250128597 805432454 /nfs/dbraw/zinc/43/24/54/805432454.db2.gz GWDOXZAQUXWPBJ-CMPLNLGQSA-N 1 1 296.208 3.447 20 10 CGCDMO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](C2CCCC2)C1 ZINC001257353646 807118439 /nfs/dbraw/zinc/11/84/39/807118439.db2.gz MIETWTCQUGDXMZ-UHFFFAOYSA-N 1 1 284.403 3.488 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@@H](C)Cc1ccco1 ZINC001258196453 807355295 /nfs/dbraw/zinc/35/52/95/807355295.db2.gz 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/nfs/dbraw/zinc/09/56/14/810095614.db2.gz YDSXYFXTSAOPKQ-OAHLLOKOSA-N 1 1 283.799 3.030 20 10 CGCDMO CC[N@@H+](Cc1cnc2ccccn12)Cc1ccccc1O ZINC001203157098 812254631 /nfs/dbraw/zinc/25/46/31/812254631.db2.gz JPQFKBGVNQJZGZ-UHFFFAOYSA-N 1 1 281.359 3.062 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@@H]1COCc1ccccc1 ZINC001203555802 812389958 /nfs/dbraw/zinc/38/99/58/812389958.db2.gz GGVVFPUKNVZSCJ-QGZVFWFLSA-N 1 1 283.371 3.183 20 10 CGCDMO COc1ccc(C[N@H+]2Cc3cccc(C)c3C2)c(O)c1 ZINC001203621026 812409493 /nfs/dbraw/zinc/40/94/93/812409493.db2.gz OCKMZJLFXKWHBM-UHFFFAOYSA-N 1 1 269.344 3.225 20 10 CGCDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203882279 812479868 /nfs/dbraw/zinc/47/98/68/812479868.db2.gz GYAMOGSDQPYBCC-HNNXBMFYSA-N 1 1 299.370 3.444 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)cc1 ZINC001203931183 812494625 /nfs/dbraw/zinc/49/46/25/812494625.db2.gz OBNXMZMOWGTRKY-CVEARBPZSA-N 1 1 258.409 3.375 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2CCn3cccc3C2)cc1 ZINC001203939775 812497267 /nfs/dbraw/zinc/49/72/67/812497267.db2.gz VFWIBLXZNOEJDJ-UHFFFAOYSA-N 1 1 283.419 3.350 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCn3cccc3C2)cc1 ZINC001203939775 812497269 /nfs/dbraw/zinc/49/72/69/812497269.db2.gz VFWIBLXZNOEJDJ-UHFFFAOYSA-N 1 1 283.419 3.350 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C2CCN(C)CC2)cc1 ZINC001203936816 812497450 /nfs/dbraw/zinc/49/74/50/812497450.db2.gz ODSUTOFOKQSENW-UHFFFAOYSA-N 1 1 289.467 3.059 20 10 CGCDMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2O)C1(C)C ZINC001204235798 812581204 /nfs/dbraw/zinc/58/12/04/812581204.db2.gz DGMBNSFKFUXTCW-HUUCEWRRSA-N 1 1 299.361 3.306 20 10 CGCDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)c(F)cc2O)C1(C)C ZINC001204235798 812581206 /nfs/dbraw/zinc/58/12/06/812581206.db2.gz DGMBNSFKFUXTCW-HUUCEWRRSA-N 1 1 299.361 3.306 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)CC[C@@H]1O ZINC001204234159 812582074 /nfs/dbraw/zinc/58/20/74/812582074.db2.gz XRHWZGRCYOEVFM-LIRRHRJNSA-N 1 1 298.430 3.109 20 10 CGCDMO Oc1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)c(O)c1 ZINC001204274943 812595332 /nfs/dbraw/zinc/59/53/32/812595332.db2.gz JVYXLJOJOYVGBY-OAHLLOKOSA-N 1 1 283.371 3.477 20 10 CGCDMO c1nc2c(s1)C[N@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204321095 812612652 /nfs/dbraw/zinc/61/26/52/812612652.db2.gz GHCWNNIVFIXVIP-UHFFFAOYSA-N 1 1 299.443 3.302 20 10 CGCDMO c1nc2c(s1)C[N@@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204321095 812612657 /nfs/dbraw/zinc/61/26/57/812612657.db2.gz GHCWNNIVFIXVIP-UHFFFAOYSA-N 1 1 299.443 3.302 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC001204333288 812615802 /nfs/dbraw/zinc/61/58/02/812615802.db2.gz ARWLZDGYFSMVTJ-JSGCOSHPSA-N 1 1 281.783 3.047 20 10 CGCDMO COc1cc(C[N@@H+]2Cc3ccccc3C[C@@H]2C)cc(O)c1O ZINC001204345103 812616463 /nfs/dbraw/zinc/61/64/63/812616463.db2.gz HOMWTTYDIRAWOD-LBPRGKRZSA-N 1 1 299.370 3.053 20 10 CGCDMO COc1cc(C[N@H+]2Cc3ccccc3C[C@@H]2C)cc(O)c1O ZINC001204345103 812616468 /nfs/dbraw/zinc/61/64/68/812616468.db2.gz HOMWTTYDIRAWOD-LBPRGKRZSA-N 1 1 299.370 3.053 20 10 CGCDMO C[N@@H+](Cc1cc2cccnc2o1)Cc1ccccc1O ZINC001204826488 812747137 /nfs/dbraw/zinc/74/71/37/812747137.db2.gz KYQUMHJOLRIXEQ-UHFFFAOYSA-N 1 1 268.316 3.165 20 10 CGCDMO C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001205075755 812850325 /nfs/dbraw/zinc/85/03/25/812850325.db2.gz LQMBHDWXLXTGBZ-JSGCOSHPSA-N 1 1 276.424 3.001 20 10 CGCDMO C[C@H]1CC[C@@H](CN)[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001205075755 812850329 /nfs/dbraw/zinc/85/03/29/812850329.db2.gz LQMBHDWXLXTGBZ-JSGCOSHPSA-N 1 1 276.424 3.001 20 10 CGCDMO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(Cl)cc1O ZINC001205177862 812899590 /nfs/dbraw/zinc/89/95/90/812899590.db2.gz KKKPDZBSKNWGEE-GXFFZTMASA-N 1 1 269.772 3.045 20 10 CGCDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(Cl)cc1O ZINC001205177862 812899594 /nfs/dbraw/zinc/89/95/94/812899594.db2.gz KKKPDZBSKNWGEE-GXFFZTMASA-N 1 1 269.772 3.045 20 10 CGCDMO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(Cl)cc1O ZINC001205177863 812899745 /nfs/dbraw/zinc/89/97/45/812899745.db2.gz 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/nfs/dbraw/zinc/48/02/53/813480253.db2.gz ZORAFHHCRRXKCD-UHFFFAOYSA-N 1 1 296.418 3.017 20 10 CGCDMO Cc1cnc(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001207077661 813480258 /nfs/dbraw/zinc/48/02/58/813480258.db2.gz ZORAFHHCRRXKCD-UHFFFAOYSA-N 1 1 296.418 3.017 20 10 CGCDMO CC[N@@H+](CCCCOC)Cc1ccc(N(C)C)cc1 ZINC001209220739 813971298 /nfs/dbraw/zinc/97/12/98/813971298.db2.gz XRZWCTMZJKTGCY-UHFFFAOYSA-N 1 1 264.413 3.001 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCCC23COC3)cc1 ZINC001209516598 814071268 /nfs/dbraw/zinc/07/12/68/814071268.db2.gz BMWONVJMLJIYPN-UHFFFAOYSA-N 1 1 296.414 3.459 20 10 CGCDMO CCc1ccc(C[N@@H+]2CCNC[C@H]2c2ccccc2)c(O)c1 ZINC001210228526 814354551 /nfs/dbraw/zinc/35/45/51/814354551.db2.gz VKUNPQBKCNVIQN-SFHVURJKSA-N 1 1 296.414 3.101 20 10 CGCDMO CCc1ccc(C[N@H+]2CCNC[C@H]2c2ccccc2)c(O)c1 ZINC001210228526 814354556 /nfs/dbraw/zinc/35/45/56/814354556.db2.gz VKUNPQBKCNVIQN-SFHVURJKSA-N 1 1 296.414 3.101 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc(N)cc1 ZINC001218484948 816239042 /nfs/dbraw/zinc/23/90/42/816239042.db2.gz OTANHCBGOSULKK-KSSFIOAISA-N 1 1 282.387 3.168 20 10 CGCDMO Oc1cc2ccccc2cc1CN1CCC[C@@]12CCC[NH2+]C2 ZINC001222253806 816388252 /nfs/dbraw/zinc/38/82/52/816388252.db2.gz SOKOOZQWGMITSA-LJQANCHMSA-N 1 1 296.414 3.263 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)CCC1=O ZINC001231587010 818128822 /nfs/dbraw/zinc/12/88/22/818128822.db2.gz PJEJDIJVTNWCOJ-ZDUSSCGKSA-N 1 1 283.371 3.346 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c(O)c1 ZINC001231842189 818185839 /nfs/dbraw/zinc/18/58/39/818185839.db2.gz KPKCYLSZXBBKHE-LBPRGKRZSA-N 1 1 269.335 3.486 20 10 CGCDMO Cc1cc(C)c(C[N@@H+](C)Cc2cccnc2)c(O)c1 ZINC001231842359 818186084 /nfs/dbraw/zinc/18/60/84/818186084.db2.gz QHMZHXKPCKBUKC-UHFFFAOYSA-N 1 1 256.349 3.036 20 10 CGCDMO Cc1cc(C)c(C[N@@H+]2CCC(F)(F)[C@@H](F)C2)c(O)c1 ZINC001231843269 818186504 /nfs/dbraw/zinc/18/65/04/818186504.db2.gz UDRLISNXUGHGOC-ZDUSSCGKSA-N 1 1 273.298 3.188 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCC(F)(F)[C@@H](F)C2)c(O)c1 ZINC001231843269 818186507 /nfs/dbraw/zinc/18/65/07/818186507.db2.gz UDRLISNXUGHGOC-ZDUSSCGKSA-N 1 1 273.298 3.188 20 10 CGCDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1c(C)cc(C)cc1O ZINC001231847028 818187474 /nfs/dbraw/zinc/18/74/74/818187474.db2.gz UQJFDMCCAQEQPZ-INIZCTEOSA-N 1 1 277.408 3.398 20 10 CGCDMO Cc1cc(O)c(CN2CCC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC001231870511 818193615 /nfs/dbraw/zinc/19/36/15/818193615.db2.gz GYECKXRIAOTTFL-CQSZACIVSA-N 1 1 294.826 3.024 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)cc1Cl ZINC001231871980 818193779 /nfs/dbraw/zinc/19/37/79/818193779.db2.gz TWZUEPIIZGQQTI-WCQYABFASA-N 1 1 293.794 3.155 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@H](OC(C)C)C2)cc1Cl ZINC001231870139 818194864 /nfs/dbraw/zinc/19/48/64/818194864.db2.gz LKQIPKPLTJDWDD-ZDUSSCGKSA-N 1 1 283.799 3.353 20 10 CGCDMO C[C@]1(CO)CCC[N@@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC001231909497 818209830 /nfs/dbraw/zinc/20/98/30/818209830.db2.gz FVQPFPUXLUQBEP-HNNXBMFYSA-N 1 1 283.799 3.030 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)c(O)cc2O)[C@@H](C)C1 ZINC001232269249 818299621 /nfs/dbraw/zinc/29/96/21/818299621.db2.gz YTUXCPUCURITKK-ZJUUUORDSA-N 1 1 269.772 3.372 20 10 CGCDMO CC[N@@H+](Cc1cn2cc(F)ccc2n1)Cc1ccccc1O ZINC001232415523 818341652 /nfs/dbraw/zinc/34/16/52/818341652.db2.gz ACXWJKKEGPJLRI-UHFFFAOYSA-N 1 1 299.349 3.201 20 10 CGCDMO Cc1c(C[N@H+]2CCc3cccc(O)c3C2)ccnc1Cl ZINC001232756638 818434688 /nfs/dbraw/zinc/43/46/88/818434688.db2.gz IBCYDTIADRUORZ-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](Cc2ccco2)C2CC2)c(O)c1 ZINC001232841208 818453550 /nfs/dbraw/zinc/45/35/50/818453550.db2.gz YCFLGXYETDNOTP-UHFFFAOYSA-N 1 1 286.375 3.216 20 10 CGCDMO Oc1cc(C[N@H+]2CCC[C@@H]2c2ccccc2)cc(O)c1O ZINC001233014078 818503298 /nfs/dbraw/zinc/50/32/98/818503298.db2.gz YFXBYXRMHPVSJN-CQSZACIVSA-N 1 1 285.343 3.141 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2ccccc2O)cc1O ZINC001233233224 818547162 /nfs/dbraw/zinc/54/71/62/818547162.db2.gz BGGSNVZREVGVNA-UHFFFAOYSA-N 1 1 257.333 3.038 20 10 CGCDMO CC[N@@H+](CCOC)Cc1cc(C(C)(C)C)ccc1O ZINC001233283271 818566048 /nfs/dbraw/zinc/56/60/48/818566048.db2.gz ABXBQAWNWYCQMM-UHFFFAOYSA-N 1 1 265.397 3.158 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCCC[C@@H]2CO)c1 ZINC001233283469 818566113 /nfs/dbraw/zinc/56/61/13/818566113.db2.gz IDFCCUKATXSGFF-OAHLLOKOSA-N 1 1 277.408 3.037 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)[C@@H]1CO ZINC001233284551 818567545 /nfs/dbraw/zinc/56/75/45/818567545.db2.gz ZCUUTHVQMFSKFJ-CZUORRHYSA-N 1 1 291.435 3.283 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@@]23CCOC3)c1 ZINC001233286753 818567594 /nfs/dbraw/zinc/56/75/94/818567594.db2.gz HOJYLWIOIFDQDV-SFHVURJKSA-N 1 1 289.419 3.445 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCC(=O)C(C)(C)C2)c1 ZINC001233286307 818568065 /nfs/dbraw/zinc/56/80/65/818568065.db2.gz NZFLYJMGCPYREF-UHFFFAOYSA-N 1 1 289.419 3.491 20 10 CGCDMO C[C@@H]1CCCC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233332629 818584472 /nfs/dbraw/zinc/58/44/72/818584472.db2.gz RPYGOXCGAWSRAW-SNVBAGLBSA-N 1 1 255.308 3.292 20 10 CGCDMO C[C@@H]1CCCC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233332629 818584479 /nfs/dbraw/zinc/58/44/79/818584479.db2.gz RPYGOXCGAWSRAW-SNVBAGLBSA-N 1 1 255.308 3.292 20 10 CGCDMO C[C@H]1CCCC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233332628 818584573 /nfs/dbraw/zinc/58/45/73/818584573.db2.gz RPYGOXCGAWSRAW-JTQLQIEISA-N 1 1 255.308 3.292 20 10 CGCDMO C[C@H]1CCCC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233332628 818584578 /nfs/dbraw/zinc/58/45/78/818584578.db2.gz RPYGOXCGAWSRAW-JTQLQIEISA-N 1 1 255.308 3.292 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC001233334543 818585920 /nfs/dbraw/zinc/58/59/20/818585920.db2.gz LGLTWXQYRVHOFN-GFCCVEGCSA-N 1 1 290.313 3.055 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC001233334543 818585925 /nfs/dbraw/zinc/58/59/25/818585925.db2.gz LGLTWXQYRVHOFN-GFCCVEGCSA-N 1 1 290.313 3.055 20 10 CGCDMO CC1(C)[C@@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3[O-])C[C@@H]21 ZINC001233418513 818615655 /nfs/dbraw/zinc/61/56/55/818615655.db2.gz KDWGHANPCNLWDJ-TXEJJXNPSA-N 1 1 285.309 3.499 20 10 CGCDMO CC1(C)[C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3O)C[C@@H]21 ZINC001233418513 818615660 /nfs/dbraw/zinc/61/56/60/818615660.db2.gz KDWGHANPCNLWDJ-TXEJJXNPSA-N 1 1 285.309 3.499 20 10 CGCDMO CC1(C)[C@@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3O)C[C@@H]21 ZINC001233418513 818615663 /nfs/dbraw/zinc/61/56/63/818615663.db2.gz KDWGHANPCNLWDJ-TXEJJXNPSA-N 1 1 285.309 3.499 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C[C@@H]1F ZINC001233726806 818691939 /nfs/dbraw/zinc/69/19/39/818691939.db2.gz IFMWLISVFTWZQS-SCZZXKLOSA-N 1 1 293.260 3.081 20 10 CGCDMO Oc1c(C[N@H+]2CCCOCC2)cccc1-c1ccccc1 ZINC001234991279 818970518 /nfs/dbraw/zinc/97/05/18/818970518.db2.gz LQUJDAKIPYKEBH-UHFFFAOYSA-N 1 1 283.371 3.282 20 10 CGCDMO CCOc1cc(O)cc(C[N@@H+](C)Cc2ccccc2O)c1 ZINC001235400729 819085586 /nfs/dbraw/zinc/08/55/86/819085586.db2.gz 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819246269 /nfs/dbraw/zinc/24/62/69/819246269.db2.gz OTVMAOFVADSIDU-IBGZPJMESA-N 1 1 296.414 3.450 20 10 CGCDMO CC(C)c1ccc(CN(C)[C@H]2CCCC[C@H]2[NH3+])c(O)c1 ZINC001236219217 819386792 /nfs/dbraw/zinc/38/67/92/819386792.db2.gz USHJFGABQXOEIQ-CVEARBPZSA-N 1 1 276.424 3.217 20 10 CGCDMO CCc1ccc(C[N@H+]2CCC[C@H](F)CC2)c(O)c1 ZINC001236784298 819594996 /nfs/dbraw/zinc/59/49/96/819594996.db2.gz UJVQGUAQWGTWOR-AWEZNQCLSA-N 1 1 251.345 3.279 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)C2CCCC2)c(Cl)c1 ZINC001236799462 819600255 /nfs/dbraw/zinc/60/02/55/819600255.db2.gz OGBOTNBTNSXUEH-UHFFFAOYSA-N 1 1 269.772 3.429 20 10 CGCDMO CCO[C@@H]1CCC[N@H+](Cc2ccc(OC)c(Cl)c2O)C1 ZINC001236806854 819602107 /nfs/dbraw/zinc/60/21/07/819602107.db2.gz ATMDIKOQBLBBCS-GFCCVEGCSA-N 1 1 299.798 3.055 20 10 CGCDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(Cl)c2O)C1 ZINC001236806854 819602110 /nfs/dbraw/zinc/60/21/10/819602110.db2.gz ATMDIKOQBLBBCS-GFCCVEGCSA-N 1 1 299.798 3.055 20 10 CGCDMO CC[C@@H]1CC[N@@H+](Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236805774 819602343 /nfs/dbraw/zinc/60/23/43/819602343.db2.gz IXNXGJSWABFCIF-SNVBAGLBSA-N 1 1 269.772 3.286 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)Cc2cccc(F)c2)c(O)c1 ZINC001236807745 819603193 /nfs/dbraw/zinc/60/31/93/819603193.db2.gz KMEZJJLROOZCFY-UHFFFAOYSA-N 1 1 289.350 3.480 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC[C@H]2c2ccncc2)c(O)c1 ZINC001236812856 819603910 /nfs/dbraw/zinc/60/39/10/819603910.db2.gz FWKASOZNESYYGU-KRWDZBQOSA-N 1 1 298.386 3.441 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CC[C@@H](C)C[C@H]2C)c(O)c1 ZINC001236810212 819605021 /nfs/dbraw/zinc/60/50/21/819605021.db2.gz DHQNYKFKLBVZJJ-DGCLKSJQSA-N 1 1 263.381 3.330 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@H+]1CCOCC12CCC2 ZINC001236834296 819613337 /nfs/dbraw/zinc/61/33/37/819613337.db2.gz VUZRSXORGJBEDD-UHFFFAOYSA-N 1 1 283.371 3.300 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)C[C@@H]2CC2(C)C)c(O)c1 ZINC001237044868 819650301 /nfs/dbraw/zinc/65/03/01/819650301.db2.gz VCNCRMXVHMUKOO-ZDUSSCGKSA-N 1 1 263.381 3.269 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)C(CC)CC)c(O)c1 ZINC001237044666 819650543 /nfs/dbraw/zinc/65/05/43/819650543.db2.gz RQKKXTNUVAFHRW-UHFFFAOYSA-N 1 1 251.370 3.411 20 10 CGCDMO CCC[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237052428 819652032 /nfs/dbraw/zinc/65/20/32/819652032.db2.gz YLOOZZKWVNASQC-UHFFFAOYSA-N 1 1 277.286 3.175 20 10 CGCDMO CCN1CC[N@@H+](Cc2ccc(C(C)C)cc2O)[C@H](C)C1 ZINC001237050299 819652235 /nfs/dbraw/zinc/65/22/35/819652235.db2.gz AAUDAKKMXGCSGY-CQSZACIVSA-N 1 1 276.424 3.042 20 10 CGCDMO CC[N@@H+]1CCN(Cc2ccc(C(C)C)cc2O)[C@H](C)C1 ZINC001237050299 819652240 /nfs/dbraw/zinc/65/22/40/819652240.db2.gz AAUDAKKMXGCSGY-CQSZACIVSA-N 1 1 276.424 3.042 20 10 CGCDMO CC[N@H+]1CCN(Cc2ccc(C(C)C)cc2O)[C@H](C)C1 ZINC001237050299 819652242 /nfs/dbraw/zinc/65/22/42/819652242.db2.gz AAUDAKKMXGCSGY-CQSZACIVSA-N 1 1 276.424 3.042 20 10 CGCDMO CCOc1ccc(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)c(O)c1 ZINC001237049840 819652360 /nfs/dbraw/zinc/65/23/60/819652360.db2.gz LWTOLOCQKLLNNO-HUUCEWRRSA-N 1 1 285.334 3.063 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC[C@@](C)(F)[C@H](F)C2)c(O)c1 ZINC001237049840 819652361 /nfs/dbraw/zinc/65/23/61/819652361.db2.gz LWTOLOCQKLLNNO-HUUCEWRRSA-N 1 1 285.334 3.063 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCO[C@@H](C(C)C)C2)c(O)c1 ZINC001237056226 819654484 /nfs/dbraw/zinc/65/44/84/819654484.db2.gz VNBFMPJVBDQREA-QGZVFWFLSA-N 1 1 277.408 3.372 20 10 CGCDMO CC[N@H+](Cc1c(O)ccc(Cl)c1Cl)CC(C)(C)O ZINC001237084838 819663637 /nfs/dbraw/zinc/66/36/37/819663637.db2.gz OIYAJMDDCNZMKT-UHFFFAOYSA-N 1 1 292.206 3.292 20 10 CGCDMO CC[N@@H+](Cc1c(O)ccc(Cl)c1Cl)CC(C)(C)O ZINC001237084838 819663639 /nfs/dbraw/zinc/66/36/39/819663639.db2.gz OIYAJMDDCNZMKT-UHFFFAOYSA-N 1 1 292.206 3.292 20 10 CGCDMO Oc1ccc(F)c(Cl)c1C[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001237124213 819673115 /nfs/dbraw/zinc/67/31/15/819673115.db2.gz NCCKTDIFQFCZAK-OAHLLOKOSA-N 1 1 299.773 3.330 20 10 CGCDMO COC[C@@H]1CCC[N@H+]1Cc1cc(C(F)(F)F)ccc1O ZINC001237134988 819674815 /nfs/dbraw/zinc/67/48/15/819674815.db2.gz DTRREIRGEFBAKM-LBPRGKRZSA-N 1 1 289.297 3.022 20 10 CGCDMO Oc1ccc(C(F)(F)F)cc1C[N@H+]1CCC2(CC2)C1 ZINC001237136921 819675308 /nfs/dbraw/zinc/67/53/08/819675308.db2.gz XKKDXOWEOUHMTJ-UHFFFAOYSA-N 1 1 271.282 3.397 20 10 CGCDMO Oc1c(C[N@H+]2CCNC3=CCCC[C@@H]32)ccc2ccccc21 ZINC001237225763 819705396 /nfs/dbraw/zinc/70/53/96/819705396.db2.gz QWKIUMFSCSQOJC-SFHVURJKSA-N 1 1 294.398 3.387 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCNC3=CCCC[C@H]32)c(O)c1 ZINC001237229368 819706714 /nfs/dbraw/zinc/70/67/14/819706714.db2.gz OQHZSTWDZVHKKN-QGZVFWFLSA-N 1 1 286.419 3.357 20 10 CGCDMO CC(C)c1ccc(CN2CC[NH2+]C3=CCCC[C@H]32)c(O)c1 ZINC001237229368 819706718 /nfs/dbraw/zinc/70/67/18/819706718.db2.gz OQHZSTWDZVHKKN-QGZVFWFLSA-N 1 1 286.419 3.357 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001237485878 819762538 /nfs/dbraw/zinc/76/25/38/819762538.db2.gz VBJLFBDTXJNMQQ-ZYHUDNBSSA-N 1 1 291.288 3.280 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+]1CCc2nc(Cl)ccc2C1 ZINC001237489636 819763608 /nfs/dbraw/zinc/76/36/08/819763608.db2.gz JKUUICUADZBSTA-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCc2nc(Cl)ccc2C1 ZINC001237489636 819763612 /nfs/dbraw/zinc/76/36/12/819763612.db2.gz JKUUICUADZBSTA-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001237489833 819764107 /nfs/dbraw/zinc/76/41/07/819764107.db2.gz LGPUOKRRAHVHSC-OAHLLOKOSA-N 1 1 282.387 3.475 20 10 CGCDMO COc1cc(C[N@H+]2CCCCC[C@@H]2C)c(O)c(OC)c1 ZINC001237675285 819803639 /nfs/dbraw/zinc/80/36/39/819803639.db2.gz DEPGMYZUQVJWHO-LBPRGKRZSA-N 1 1 279.380 3.174 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@](C)(O)[C@@H](C)C2)c1O ZINC001237681774 819807477 /nfs/dbraw/zinc/80/74/77/819807477.db2.gz RKEQFRRACNUBBP-LRDDRELGSA-N 1 1 297.826 3.337 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[NH+]1CCC(CF)CC1 ZINC001237937810 819887656 /nfs/dbraw/zinc/88/76/56/819887656.db2.gz VIJWLRWYIYZLIO-UHFFFAOYSA-N 1 1 275.726 3.366 20 10 CGCDMO CCC[N@H+](Cc1cc(F)cc(C)c1O)CC1CC1 ZINC001238059003 819921173 /nfs/dbraw/zinc/92/11/73/819921173.db2.gz XFKNFSAQGYGLQO-UHFFFAOYSA-N 1 1 251.345 3.462 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C2=CCC[N@H+](C)C2)cn1 ZINC001241570317 821957376 /nfs/dbraw/zinc/95/73/76/821957376.db2.gz HKYBEXNKOQBWLF-UHFFFAOYSA-N 1 1 267.376 3.208 20 10 CGCDMO COC[C@]1(C)CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001344074775 936525385 /nfs/dbraw/zinc/52/53/85/936525385.db2.gz JZCMFNPSXBLYHN-GOSISDBHSA-N 1 1 288.435 3.145 20 10 CGCDMO CCC[N@@H+](Cc1ccc(N)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC001352786750 937049490 /nfs/dbraw/zinc/04/94/90/937049490.db2.gz AAOLZWDJENXEQD-BBWFWOEESA-N 1 1 288.435 3.294 20 10 CGCDMO CCCc1cc(NCc2cccc(C)c2O)nc(C)[nH+]1 ZINC001160770153 931984526 /nfs/dbraw/zinc/98/45/26/931984526.db2.gz RWYUJVCTVUNLHN-UHFFFAOYSA-N 1 1 271.364 3.364 20 10 CGCDMO C[C@@H]1CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)[C@@H]1C ZINC001461884354 937603926 /nfs/dbraw/zinc/60/39/26/937603926.db2.gz AJFYWVWYNXMATK-JBZXTQMFSA-N 1 1 258.409 3.496 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)C[C@@](C)(OC)C1CC1 ZINC001461956653 937608797 /nfs/dbraw/zinc/60/87/97/937608797.db2.gz HCHCNCKJTJYUES-QGZVFWFLSA-N 1 1 277.408 3.419 20 10 CGCDMO COC1(C[N@H+]2Cc3cccc(O)c3C2)CCCCCC1 ZINC001462521954 937647229 /nfs/dbraw/zinc/64/72/29/937647229.db2.gz UKYPGLKAGSNMRF-UHFFFAOYSA-N 1 1 275.392 3.447 20 10 CGCDMO CC[C@@H]1CC[N@@H+](Cc2c(C)cc(OC)cc2O)[C@H]1C ZINC001308706221 933163634 /nfs/dbraw/zinc/16/36/34/933163634.db2.gz TWHXWSUDECLVHF-QWHCGFSZSA-N 1 1 263.381 3.330 20 10 CGCDMO CC[C@H](CSC)[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001308747988 933170058 /nfs/dbraw/zinc/17/00/58/933170058.db2.gz QEMXDLRVZQNCHK-SNVBAGLBSA-N 1 1 275.364 3.244 20 10 CGCDMO CC[C@H](CSC)[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001308747988 933170062 /nfs/dbraw/zinc/17/00/62/933170062.db2.gz QEMXDLRVZQNCHK-SNVBAGLBSA-N 1 1 275.364 3.244 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CC(C)(C)O1 ZINC001319706064 933919593 /nfs/dbraw/zinc/91/95/93/933919593.db2.gz TWXWBAICIHAVGN-HNNXBMFYSA-N 1 1 288.435 3.286 20 10 CGCDMO CCN1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C)cc2O)C1 ZINC001323828877 934429540 /nfs/dbraw/zinc/42/95/40/934429540.db2.gz CPYQLDVLVRZKMT-CABCVRRESA-N 1 1 276.424 3.083 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001333587919 935550105 /nfs/dbraw/zinc/55/01/05/935550105.db2.gz LVOPRPCVCLTFNC-OUAUKWLOSA-N 1 1 289.272 3.194 20 10 CGCDMO C[C@@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1c(O)cccc1F ZINC001334031655 936080368 /nfs/dbraw/zinc/08/03/68/936080368.db2.gz DXZOLAQRQSKPGS-DOLQZWNJSA-N 1 1 271.282 3.226 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC(C)(C)C2(C)C)c1 ZINC001337032552 936233073 /nfs/dbraw/zinc/23/30/73/936233073.db2.gz HUZDDKSOJQKGHJ-UHFFFAOYSA-N 1 1 263.381 3.411 20 10 CGCDMO CS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccccc2O)C1 ZINC001337074200 936234432 /nfs/dbraw/zinc/23/44/32/936234432.db2.gz ZAAOIWDOGHTUBR-QWHCGFSZSA-N 1 1 251.395 3.108 20 10 CGCDMO Cn1c[nH+]c2cc(NCc3cccc(F)c3F)ccc21 ZINC001474050546 937837806 /nfs/dbraw/zinc/83/78/06/937837806.db2.gz KVCIVJQSIXCRAQ-UHFFFAOYSA-N 1 1 273.286 3.464 20 10 CGCDMO C[N@@H+](CC[C@H]1CCOC1)Cc1ccc(N2CCCC2)cc1 ZINC001474506419 937863961 /nfs/dbraw/zinc/86/39/61/937863961.db2.gz YRSVMXBDRVTEJY-KRWDZBQOSA-N 1 1 288.435 3.145 20 10 CGCDMO CCC[N@@H+](CCN1CCCC1)Cc1ccc(C)cc1O ZINC001474517843 937864535 /nfs/dbraw/zinc/86/45/35/937864535.db2.gz WENNZVVDYKGMSU-UHFFFAOYSA-N 1 1 276.424 3.008 20 10 CGCDMO CCCN(CC[NH+]1CCCC1)Cc1ccc(C)cc1O ZINC001474517843 937864537 /nfs/dbraw/zinc/86/45/37/937864537.db2.gz WENNZVVDYKGMSU-UHFFFAOYSA-N 1 1 276.424 3.008 20 10 CGCDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C[C@H]1O ZINC001560720158 938272154 /nfs/dbraw/zinc/27/21/54/938272154.db2.gz LLXHEMNKFJLHHC-DZGCQCFKSA-N 1 1 297.826 3.275 20 10 CGCDMO CC[C@]1(C)C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC001560761177 938274225 /nfs/dbraw/zinc/27/42/25/938274225.db2.gz BJFBHGFWXQORJW-HPFMTEOYSA-N 1 1 288.435 3.267 20 10 CGCDMO CC[C@]1(C)C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC001560761178 938274393 /nfs/dbraw/zinc/27/43/93/938274393.db2.gz BJFBHGFWXQORJW-IPLHWJFFSA-N 1 1 288.435 3.267 20 10 CGCDMO CCC[N@@H+](CCN1CCCC1)Cc1cccc(CC)c1O ZINC001560823515 938278022 /nfs/dbraw/zinc/27/80/22/938278022.db2.gz JGCVRRZFVFTTHL-UHFFFAOYSA-N 1 1 290.451 3.262 20 10 CGCDMO CCCN(CC[NH+]1CCCC1)Cc1cccc(CC)c1O ZINC001560823515 938278023 /nfs/dbraw/zinc/27/80/23/938278023.db2.gz JGCVRRZFVFTTHL-UHFFFAOYSA-N 1 1 290.451 3.262 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC001560980865 938287667 /nfs/dbraw/zinc/28/76/67/938287667.db2.gz DFJWCRYUSGPINJ-OAHLLOKOSA-N 1 1 297.345 3.252 20 10 CGCDMO C[C@@H](CCO)C1(C[NH2+][C@@H](C)c2ccc(F)cc2O)CCC1 ZINC000273485582 295867045 /nfs/dbraw/zinc/86/70/45/295867045.db2.gz NGLRVFXPGJHQKB-STQMWFEESA-N 1 1 295.398 3.371 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(F)cc1O ZINC000134789635 371366195 /nfs/dbraw/zinc/36/61/95/371366195.db2.gz PYKIKZBFMMPSMX-SUZRMVIJSA-N 1 1 291.366 3.140 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)[C@H](CO)c2ccccc2)cc1C ZINC000295126058 372694776 /nfs/dbraw/zinc/69/47/76/372694776.db2.gz XHULZRRZLWOKBA-QGZVFWFLSA-N 1 1 285.387 3.174 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1 ZINC000298311745 373295054 /nfs/dbraw/zinc/29/50/54/373295054.db2.gz QHUNMXZCQRGNOP-CABCVRRESA-N 1 1 280.362 3.230 20 10 CGCDMO CCCCN1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000297951143 373285312 /nfs/dbraw/zinc/28/53/12/373285312.db2.gz YRRIYFVEGQUPOZ-MRXNPFEDSA-N 1 1 288.435 3.234 20 10 CGCDMO Oc1ccc2ccccc2c1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC000317062585 374337883 /nfs/dbraw/zinc/33/78/83/374337883.db2.gz MAPQHGZTDQVWKQ-INIZCTEOSA-N 1 1 296.414 3.216 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@@H+]1CCCN2CCC[C@H]2C1 ZINC000317062585 374337891 /nfs/dbraw/zinc/33/78/91/374337891.db2.gz MAPQHGZTDQVWKQ-INIZCTEOSA-N 1 1 296.414 3.216 20 10 CGCDMO C[C@@H](C[N@@H+](C)Cc1ccc(N(C)C)cc1)c1nccs1 ZINC000183255164 374393664 /nfs/dbraw/zinc/39/36/64/374393664.db2.gz RXPIEZWTZSHMEO-ZDUSSCGKSA-N 1 1 289.448 3.445 20 10 CGCDMO C[C@H](c1cccnc1)[N@@H+](C)Cc1cc(F)ccc1O ZINC000183724130 374447044 /nfs/dbraw/zinc/44/70/44/374447044.db2.gz NQIHYEFXBPXOIJ-LLVKDONJSA-N 1 1 260.312 3.119 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2CC=C(COC)CC2)cc1 ZINC000187622385 375060004 /nfs/dbraw/zinc/06/00/04/375060004.db2.gz MGMVFGLHZBWUTC-UHFFFAOYSA-N 1 1 288.435 3.311 20 10 CGCDMO CO[C@@H](C)c1nc(C[NH2+][C@H](C)c2ccccc2O)cs1 ZINC000271724910 378502795 /nfs/dbraw/zinc/50/27/95/378502795.db2.gz YPTFSSRWHGDZIK-MNOVXSKESA-N 1 1 292.404 3.407 20 10 CGCDMO CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000273382974 378743177 /nfs/dbraw/zinc/74/31/77/378743177.db2.gz ITVBVAHDJMTAPA-LSDHHAIUSA-N 1 1 276.424 3.001 20 10 CGCDMO C[C@H](CCO)C1(C[NH2+][C@H](C)c2ccc(F)cc2O)CCC1 ZINC000273485579 378749679 /nfs/dbraw/zinc/74/96/79/378749679.db2.gz NGLRVFXPGJHQKB-CHWSQXEVSA-N 1 1 295.398 3.371 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(C2)CCCOC3)c1O ZINC000375300372 379490533 /nfs/dbraw/zinc/49/05/33/379490533.db2.gz AGPKGGBCUPADLN-INIZCTEOSA-N 1 1 295.810 3.357 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H](O)c1ccc(C)o1)c1ccc(F)cc1O ZINC000285530896 380150404 /nfs/dbraw/zinc/15/04/04/380150404.db2.gz BPVOGZQMMLAYFR-HIFRSBDPSA-N 1 1 293.338 3.207 20 10 CGCDMO CC[C@@H]([NH2+]CCCc1c[nH]nc1C)c1ccc(F)cc1O ZINC000285732925 380152199 /nfs/dbraw/zinc/15/21/99/380152199.db2.gz QTTSPNHHYKPVKV-OAHLLOKOSA-N 1 1 291.370 3.236 20 10 CGCDMO Cc1cc(Cl)cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1O ZINC000362238461 381915741 /nfs/dbraw/zinc/91/57/41/381915741.db2.gz QQKDKPZWUZRKID-CABCVRRESA-N 1 1 294.826 3.070 20 10 CGCDMO Cc1cc(Cl)cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1O ZINC000362238461 381915746 /nfs/dbraw/zinc/91/57/46/381915746.db2.gz QQKDKPZWUZRKID-CABCVRRESA-N 1 1 294.826 3.070 20 10 CGCDMO CN(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000364296580 382269398 /nfs/dbraw/zinc/26/93/98/382269398.db2.gz CPBMMFVZDYLWFS-SFHVURJKSA-N 1 1 296.414 3.099 20 10 CGCDMO C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2ccccc2O)C1 ZINC000364296580 382269403 /nfs/dbraw/zinc/26/94/03/382269403.db2.gz CPBMMFVZDYLWFS-SFHVURJKSA-N 1 1 296.414 3.099 20 10 CGCDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(Cc2ccccc2O)C1 ZINC000364296580 382269411 /nfs/dbraw/zinc/26/94/11/382269411.db2.gz CPBMMFVZDYLWFS-SFHVURJKSA-N 1 1 296.414 3.099 20 10 CGCDMO CCOC[C@H]1CCC[N@@H+](Cc2cc(OCC)ccc2O)C1 ZINC000093419440 392237206 /nfs/dbraw/zinc/23/72/06/392237206.db2.gz MRDPSPJWNOFWQW-AWEZNQCLSA-N 1 1 293.407 3.039 20 10 CGCDMO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1ccccc1O ZINC000179568480 392704403 /nfs/dbraw/zinc/70/44/03/392704403.db2.gz LNKBDYHLDPLBKZ-KDOFPFPSSA-N 1 1 283.371 3.354 20 10 CGCDMO C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc(F)cc1O ZINC000185454022 262055440 /nfs/dbraw/zinc/05/54/40/262055440.db2.gz ZIDMHZPBRRSCTG-SJCJKPOMSA-N 1 1 289.350 3.090 20 10 CGCDMO C[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1ccc(F)cc1O ZINC000186515274 262316021 /nfs/dbraw/zinc/31/60/21/262316021.db2.gz UTKJYFJVAOLOJN-YPMHNXCESA-N 1 1 267.344 3.141 20 10 CGCDMO Oc1ccc(F)cc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000290605155 263117896 /nfs/dbraw/zinc/11/78/96/263117896.db2.gz WDIXBCJKTWFQAO-UHFFFAOYSA-N 1 1 272.323 3.091 20 10 CGCDMO CCn1cc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2O)cn1 ZINC000296109929 263186104 /nfs/dbraw/zinc/18/61/04/263186104.db2.gz ZMAVINWQIVFMSC-GHMZBOCLSA-N 1 1 277.343 3.160 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1O ZINC000367689369 267109705 /nfs/dbraw/zinc/10/97/05/267109705.db2.gz UXCXDEFYVJWUJM-CVEARBPZSA-N 1 1 289.419 3.339 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000367723830 267113017 /nfs/dbraw/zinc/11/30/17/267113017.db2.gz NEIOAIQMRSPGAR-QGZVFWFLSA-N 1 1 299.370 3.054 20 10 CGCDMO COCC[C@@H]1CCCC[N@@H+](Cc2ccccc2O)C1 ZINC000368666436 267196049 /nfs/dbraw/zinc/19/60/49/267196049.db2.gz LSQCBQWKYOJGGG-AWEZNQCLSA-N 1 1 263.381 3.031 20 10 CGCDMO Oc1c(F)cccc1C[N@H+](Cc1ccccn1)C1CC1 ZINC000290565252 328259367 /nfs/dbraw/zinc/25/93/67/328259367.db2.gz SONKMTNWRFQWNJ-UHFFFAOYSA-N 1 1 272.323 3.091 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000290565252 328259369 /nfs/dbraw/zinc/25/93/69/328259369.db2.gz SONKMTNWRFQWNJ-UHFFFAOYSA-N 1 1 272.323 3.091 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000091956816 327188099 /nfs/dbraw/zinc/18/80/99/327188099.db2.gz NHRFNTUAJFRKOH-UHFFFAOYSA-N 1 1 257.333 3.033 20 10 CGCDMO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000527983408 330298380 /nfs/dbraw/zinc/29/83/80/330298380.db2.gz XMMISFMFJZSETA-CFVMTHIKSA-N 1 1 267.344 3.140 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@](C)(OC)C2)c1O ZINC000230300136 333316111 /nfs/dbraw/zinc/31/61/11/333316111.db2.gz GMXLICYHLWUAID-OAHLLOKOSA-N 1 1 299.798 3.055 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)Cc2cccs2)c1O ZINC000050134022 518282909 /nfs/dbraw/zinc/28/29/09/518282909.db2.gz ANHAKVIWIDEGAU-UHFFFAOYSA-N 1 1 293.363 3.427 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)Cc2cccs2)c1O ZINC000050134022 518282912 /nfs/dbraw/zinc/28/29/12/518282912.db2.gz ANHAKVIWIDEGAU-UHFFFAOYSA-N 1 1 293.363 3.427 20 10 CGCDMO CC(C)N1CCC([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000037236713 519673067 /nfs/dbraw/zinc/67/30/67/519673067.db2.gz MRQGLSHHHLGPCM-HNNXBMFYSA-N 1 1 289.467 3.276 20 10 CGCDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000126567993 520172286 /nfs/dbraw/zinc/17/22/86/520172286.db2.gz ZEYYECGEJAKORO-HNNXBMFYSA-N 1 1 294.414 3.140 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@](C)(OC)CC2)c1 ZINC000280137860 521145181 /nfs/dbraw/zinc/14/51/81/521145181.db2.gz CUXPVYHEQPJGBW-QGZVFWFLSA-N 1 1 293.407 3.182 20 10 CGCDMO CC[N@@H+](Cc1cccc(C)c1O)[C@H]1CCOC(C)(C)C1 ZINC000291689591 521341085 /nfs/dbraw/zinc/34/10/85/521341085.db2.gz XYEBLOWAYMJYIY-HNNXBMFYSA-N 1 1 277.408 3.480 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCSC(C)(C)C2)c1O ZINC000093504420 521342118 /nfs/dbraw/zinc/34/21/18/521342118.db2.gz DPGALWMLCRNDFV-UHFFFAOYSA-N 1 1 281.421 3.118 20 10 CGCDMO COc1c(O)c(C[NH+]2CCCCCCC2)ccc1[N+](=O)[O-] ZINC000278288999 521872669 /nfs/dbraw/zinc/87/26/69/521872669.db2.gz UMFUIUIPAHMEKX-UHFFFAOYSA-N 1 1 294.351 3.075 20 10 CGCDMO Cc1cccc(C[N@@H+](C)Cc2ccc(O)cc2)c1O ZINC000290656376 524375039 /nfs/dbraw/zinc/37/50/39/524375039.db2.gz ZJULJOORUMMJIT-UHFFFAOYSA-N 1 1 257.333 3.038 20 10 CGCDMO C[C@]1([NH2+]Cc2cc(Cl)c(F)cc2O)CCO[C@H]1C1CC1 ZINC000293535132 525300038 /nfs/dbraw/zinc/30/00/38/525300038.db2.gz FGKQZMDNDCWHME-GJZGRUSLSA-N 1 1 299.773 3.232 20 10 CGCDMO C[C@H]([NH2+]CCN(C)C1CCCC1)c1ccc(F)cc1O ZINC000071377130 525350079 /nfs/dbraw/zinc/35/00/79/525350079.db2.gz HPPJPYAXNSVCOC-LBPRGKRZSA-N 1 1 280.387 3.056 20 10 CGCDMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccccn1 ZINC000062745002 525531361 /nfs/dbraw/zinc/53/13/61/525531361.db2.gz NLMPAYNEDFIOKZ-QWRGUYRKSA-N 1 1 260.312 3.338 20 10 CGCDMO CSC[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000292728201 525651001 /nfs/dbraw/zinc/65/10/01/525651001.db2.gz FZCDISNFRNDVCE-LLVKDONJSA-N 1 1 269.385 3.106 20 10 CGCDMO CSC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000292728201 525651008 /nfs/dbraw/zinc/65/10/08/525651008.db2.gz FZCDISNFRNDVCE-LLVKDONJSA-N 1 1 269.385 3.106 20 10 CGCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCCC12CCC2 ZINC000365827495 526433006 /nfs/dbraw/zinc/43/30/06/526433006.db2.gz GERCGXCOGLUMKH-UHFFFAOYSA-N 1 1 286.419 3.042 20 10 CGCDMO C[N@H+](Cc1ccccc1O)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000732203376 572452100 /nfs/dbraw/zinc/45/21/00/572452100.db2.gz ZTXUEOLKLIVSIE-UHFFFAOYSA-N 1 1 290.294 3.072 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000732203376 572452104 /nfs/dbraw/zinc/45/21/04/572452104.db2.gz ZTXUEOLKLIVSIE-UHFFFAOYSA-N 1 1 290.294 3.072 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2C[C@H](C)OC(C)(C)C2)cc1 ZINC000741754598 572521990 /nfs/dbraw/zinc/52/19/90/572521990.db2.gz SPOKGYLRBRPMKK-AWEZNQCLSA-N 1 1 276.424 3.142 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@H]1CC1(Cl)Cl ZINC000749299140 572991820 /nfs/dbraw/zinc/99/18/20/572991820.db2.gz SUHSGWCWTYOKHL-SNVBAGLBSA-N 1 1 260.164 3.018 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](C)[C@H]2C)c1O ZINC000050565924 618122937 /nfs/dbraw/zinc/12/29/37/618122937.db2.gz BQXUHCCWEFMTAY-WDEREUQCSA-N 1 1 279.355 3.354 20 10 CGCDMO CC[C@@H](CSC)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000091097052 618461532 /nfs/dbraw/zinc/46/15/32/618461532.db2.gz PZJVVUCVOSHBIZ-ZDUSSCGKSA-N 1 1 299.411 3.307 20 10 CGCDMO CC[C@@H](CSC)[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000091097052 618461546 /nfs/dbraw/zinc/46/15/46/618461546.db2.gz PZJVVUCVOSHBIZ-ZDUSSCGKSA-N 1 1 299.411 3.307 20 10 CGCDMO CCCN(Cc1ccccc1O)c1cc(C)[nH+]c(C)n1 ZINC000189527706 619093641 /nfs/dbraw/zinc/09/36/41/619093641.db2.gz GKAJLQVHRVMZGJ-UHFFFAOYSA-N 1 1 271.364 3.216 20 10 CGCDMO C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cc(Cl)ccc1[O-] ZINC000925839417 619289697 /nfs/dbraw/zinc/28/96/97/619289697.db2.gz BPYZDRDLBTUJSM-IUIKQTSFSA-N 1 1 294.826 3.228 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@H](C)C2(C)CC2)c1 ZINC000091900869 619309520 /nfs/dbraw/zinc/30/95/20/619309520.db2.gz BRAKLQVFCYMTDS-GFCCVEGCSA-N 1 1 263.381 3.411 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCSC(C)(C)C2)c1 ZINC000093504648 619377764 /nfs/dbraw/zinc/37/77/64/619377764.db2.gz GOCXRSBOKNZCAE-UHFFFAOYSA-N 1 1 281.421 3.118 20 10 CGCDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC000894499014 619554269 /nfs/dbraw/zinc/55/42/69/619554269.db2.gz MWBHDFVXGCRVGU-AAEUAGOBSA-N 1 1 279.380 3.172 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@@H](C3CC3)C2)c(O)c1OC ZINC000894523350 619562427 /nfs/dbraw/zinc/56/24/27/619562427.db2.gz WWLRTFPVOPDELR-CYBMUJFWSA-N 1 1 291.391 3.031 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000894532942 619565616 /nfs/dbraw/zinc/56/56/16/619565616.db2.gz LANYUVZXKZUOQU-OAHLLOKOSA-N 1 1 297.345 3.061 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC000793231092 619708939 /nfs/dbraw/zinc/70/89/39/619708939.db2.gz KSQCIWOKXCKOEH-JOYOIKCWSA-N 1 1 289.297 3.174 20 10 CGCDMO CCc1cccc(C[N@@H+](C)Cc2ccns2)c1O ZINC000895452367 619832506 /nfs/dbraw/zinc/83/25/06/619832506.db2.gz KLWIPJYWIKTMDR-UHFFFAOYSA-N 1 1 262.378 3.043 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH+]1CCC(F)CC1 ZINC000895547094 619843812 /nfs/dbraw/zinc/84/38/12/619843812.db2.gz LDCDVTRTHTUIEO-UHFFFAOYSA-N 1 1 261.699 3.119 20 10 CGCDMO Oc1cccc2c1C[N@H+](Cc1nccc3c1CCCC3)C2 ZINC000895785018 619885455 /nfs/dbraw/zinc/88/54/55/619885455.db2.gz NXNIJUDTCFPQIO-UHFFFAOYSA-N 1 1 280.371 3.182 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1nccc3c1CCCC3)C2 ZINC000895785018 619885456 /nfs/dbraw/zinc/88/54/56/619885456.db2.gz NXNIJUDTCFPQIO-UHFFFAOYSA-N 1 1 280.371 3.182 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1Cl ZINC000895841568 619892397 /nfs/dbraw/zinc/89/23/97/619892397.db2.gz CSGYCARCMSSWRK-LRDDRELGSA-N 1 1 295.810 3.355 20 10 CGCDMO Cc1scc(C[NH2+]Cc2c(O)cccc2F)c1C ZINC000896641157 620042233 /nfs/dbraw/zinc/04/22/33/620042233.db2.gz LLXMUDNICCWBSD-UHFFFAOYSA-N 1 1 265.353 3.499 20 10 CGCDMO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1cncs1 ZINC000897929901 620449901 /nfs/dbraw/zinc/44/99/01/620449901.db2.gz DIJACLPECZFZNC-ZETCQYMHSA-N 1 1 286.759 3.492 20 10 CGCDMO CN(C)c1ccc([C@@H]([NH3+])CNC/C=C\c2ccccc2)cc1 ZINC000841043988 620541943 /nfs/dbraw/zinc/54/19/43/620541943.db2.gz SHDYJDTYBANKQZ-QBUQCISBSA-N 1 1 295.430 3.055 20 10 CGCDMO Oc1cccc2c1[C@H]([NH2+][C@H]1c3ccccc3OC[C@H]1F)CC2 ZINC000903266697 621653709 /nfs/dbraw/zinc/65/37/09/621653709.db2.gz UWWRDTLEKOAXDN-LBTNJELSSA-N 1 1 299.345 3.441 20 10 CGCDMO COc1ccc(CC[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000062744788 623265204 /nfs/dbraw/zinc/26/52/04/623265204.db2.gz CKWPOJMEWRXKCO-LBPRGKRZSA-N 1 1 289.350 3.433 20 10 CGCDMO COc1ccc(N2CCC[N@@H+](CC3CCC3)CC2)cc1 ZINC000173553350 623330516 /nfs/dbraw/zinc/33/05/16/623330516.db2.gz UAODNHKBKWDUOS-UHFFFAOYSA-N 1 1 274.408 3.007 20 10 CGCDMO CSCCC[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835050416 623860277 /nfs/dbraw/zinc/86/02/77/623860277.db2.gz AXCXNMGJWZMXDJ-FNORWQNLSA-N 1 1 278.465 3.451 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000245911381 623881480 /nfs/dbraw/zinc/88/14/80/623881480.db2.gz FXAKSAAZWQIZCU-UKRRQHHQSA-N 1 1 281.396 3.391 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@@H]2CC(C)C)c1O ZINC000153453746 623892329 /nfs/dbraw/zinc/89/23/29/623892329.db2.gz AXHAHRJTVDKFPL-CQSZACIVSA-N 1 1 263.381 3.411 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C2CC2)C2CCCC2)c1 ZINC000179679567 624676099 /nfs/dbraw/zinc/67/60/99/624676099.db2.gz DNCLGARKUKQFRN-UHFFFAOYSA-N 1 1 261.365 3.308 20 10 CGCDMO Cc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1O ZINC000179682950 624676638 /nfs/dbraw/zinc/67/66/38/624676638.db2.gz WTPHSTWUMAHWAD-UHFFFAOYSA-N 1 1 266.344 3.204 20 10 CGCDMO CCC[N@H+](Cc1cc(F)ccc1O)C[C@H]1CCCCO1 ZINC000180083494 624716485 /nfs/dbraw/zinc/71/64/85/624716485.db2.gz TXSKHDDMQUSSCU-OAHLLOKOSA-N 1 1 281.371 3.312 20 10 CGCDMO Cc1cccc(C[N@H+]2CCc3cc(F)ccc3C2)c1O ZINC000181445289 624860569 /nfs/dbraw/zinc/86/05/69/624860569.db2.gz KLVTWIREHYNXOB-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO Oc1ccc(F)cc1C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000181442347 624860679 /nfs/dbraw/zinc/86/06/79/624860679.db2.gz BYPWLJQZBRCZHT-UHFFFAOYSA-N 1 1 275.298 3.229 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCc2cc(F)ccc2C1 ZINC000181442347 624860684 /nfs/dbraw/zinc/86/06/84/624860684.db2.gz BYPWLJQZBRCZHT-UHFFFAOYSA-N 1 1 275.298 3.229 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc2cncn2c1)c1ccc(N(C)C)cc1 ZINC000840781900 625871972 /nfs/dbraw/zinc/87/19/72/625871972.db2.gz ZGDMSYUFQFXWQY-AWEZNQCLSA-N 1 1 294.402 3.251 20 10 CGCDMO Cc1ccc([C@H](C)NCC[NH+](C(C)C)C(C)C)c(O)c1 ZINC000020086717 634481494 /nfs/dbraw/zinc/48/14/94/634481494.db2.gz KIOBNLVHSSNHBF-HNNXBMFYSA-N 1 1 278.440 3.470 20 10 CGCDMO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000839148038 626317625 /nfs/dbraw/zinc/31/76/25/626317625.db2.gz VKGFULRVGBMRQK-AOOOYVTPSA-N 1 1 287.762 3.230 20 10 CGCDMO COC[C@H]1CCC[N@H+]1Cc1cc(C(C)C)c(C)cc1O ZINC000751950066 626412802 /nfs/dbraw/zinc/41/28/02/626412802.db2.gz OFBLSJRKKCZQFH-OAHLLOKOSA-N 1 1 277.408 3.435 20 10 CGCDMO CCCN1CCC([NH2+][C@@H](CC)c2ccccc2O)CC1 ZINC000020189864 634501879 /nfs/dbraw/zinc/50/18/79/634501879.db2.gz CSHZDGBLXPHYFV-INIZCTEOSA-N 1 1 276.424 3.307 20 10 CGCDMO COc1cccc(C[N@H+]2C[C@@H](C)CC(C)(C)C2)c1O ZINC000753577239 626456312 /nfs/dbraw/zinc/45/63/12/626456312.db2.gz ZYUJMQOJGRYJSB-LBPRGKRZSA-N 1 1 263.381 3.269 20 10 CGCDMO C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)c2c1c(F)ccc2[O-] ZINC000756546870 626713704 /nfs/dbraw/zinc/71/37/04/626713704.db2.gz TZLJTFGEHAYXNZ-BXUZGUMPSA-N 1 1 292.398 3.011 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)C(C)C)c1 ZINC000756595086 626719148 /nfs/dbraw/zinc/71/91/48/626719148.db2.gz TUSYQDKQIRKBKU-NWDGAFQWSA-N 1 1 279.380 3.122 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2(C(C)C)CC2)c1 ZINC000756748087 626729390 /nfs/dbraw/zinc/72/93/90/626729390.db2.gz WCHLQXAEULLSDM-GFCCVEGCSA-N 1 1 291.391 3.266 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cscn1 ZINC000768107477 627459843 /nfs/dbraw/zinc/45/98/43/627459843.db2.gz YZHONLRBSKJKMJ-LBPRGKRZSA-N 1 1 275.421 3.368 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)C[C@@H](C)O1 ZINC000768448626 627480406 /nfs/dbraw/zinc/48/04/06/627480406.db2.gz UFSSLPWJVFWLSH-DYVFJYSZSA-N 1 1 289.419 3.270 20 10 CGCDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000768464950 627481140 /nfs/dbraw/zinc/48/11/40/627481140.db2.gz CWPYOVNPOXOQGR-DGCLKSJQSA-N 1 1 279.380 3.030 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](CC)C[C@H]2CCOC2)cc1 ZINC000768521007 627483315 /nfs/dbraw/zinc/48/33/15/627483315.db2.gz KZNYOOOEYVFWJU-QGZVFWFLSA-N 1 1 290.451 3.391 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000768544104 627486090 /nfs/dbraw/zinc/48/60/90/627486090.db2.gz PFHRFAFRHFYKKS-LLVKDONJSA-N 1 1 251.370 3.267 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](CC(C)C)C(C)C ZINC000768779400 627498254 /nfs/dbraw/zinc/49/82/54/627498254.db2.gz BTVDGPGBERIXAO-UHFFFAOYSA-N 1 1 251.370 3.267 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)C2Cc3ccccc3C2)c(O)c1 ZINC000769033715 627518521 /nfs/dbraw/zinc/51/85/21/627518521.db2.gz MKPWVSMSKIVCTA-UHFFFAOYSA-N 1 1 297.398 3.390 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCSC(C)(C)C2)c(O)c1 ZINC000769446756 627553888 /nfs/dbraw/zinc/55/38/88/627553888.db2.gz AFNWDCSDBGHDGG-UHFFFAOYSA-N 1 1 281.421 3.118 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)[C@@H](C)CCSC)c(O)c1 ZINC000769462717 627555870 /nfs/dbraw/zinc/55/58/70/627555870.db2.gz HYPJNLMZTISLFU-LBPRGKRZSA-N 1 1 283.437 3.364 20 10 CGCDMO CCN1CC[C@H]([N@H+](C)Cc2cc(C)ccc2O)C[C@@H]1C ZINC000769470735 627557553 /nfs/dbraw/zinc/55/75/53/627557553.db2.gz OIFZAEJYEJVRKX-HOCLYGCPSA-N 1 1 276.424 3.005 20 10 CGCDMO CCN1CC[C@H]([N@@H+](C)Cc2cc(C)ccc2O)C[C@@H]1C ZINC000769470735 627557555 /nfs/dbraw/zinc/55/75/55/627557555.db2.gz OIFZAEJYEJVRKX-HOCLYGCPSA-N 1 1 276.424 3.005 20 10 CGCDMO Cc1cccc(C[N@H+](C)Cc2c(O)cccc2Cl)n1 ZINC000769479952 627558412 /nfs/dbraw/zinc/55/84/12/627558412.db2.gz KYZGUVQRIWDHBS-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000769481901 627558954 /nfs/dbraw/zinc/55/89/54/627558954.db2.gz AUYOLVWRIYCZOP-SFHVURJKSA-N 1 1 288.435 3.145 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000769481900 627559442 /nfs/dbraw/zinc/55/94/42/627559442.db2.gz AUYOLVWRIYCZOP-GOSISDBHSA-N 1 1 288.435 3.145 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000769498568 627560316 /nfs/dbraw/zinc/56/03/16/627560316.db2.gz LOGNGFWWHIAROE-CJNGLKHVSA-N 1 1 293.432 3.261 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@H]2c2cccc(F)c2)c1O ZINC000769508668 627561095 /nfs/dbraw/zinc/56/10/95/627561095.db2.gz UFWIYQAXMBWXLJ-HNNXBMFYSA-N 1 1 287.334 3.487 20 10 CGCDMO CC[C@@H](C)C[N@@H+](CC)Cc1c(O)cccc1OC ZINC000769538132 627564052 /nfs/dbraw/zinc/56/40/52/627564052.db2.gz SIVWKGGWPLEHTN-GFCCVEGCSA-N 1 1 251.370 3.269 20 10 CGCDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2cc(C)ccc2O)C1(C)C ZINC000769549498 627565135 /nfs/dbraw/zinc/56/51/35/627565135.db2.gz SBCFEANIFRFHCB-NVXWUHKLSA-N 1 1 277.408 3.336 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCS[C@@H](C)[C@H]2C)cc1 ZINC000773750918 627910112 /nfs/dbraw/zinc/91/01/12/627910112.db2.gz FPYAWMNUXOSHGV-KGLIPLIRSA-N 1 1 278.465 3.469 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCOC(C)(C)[C@H]2C)cc1 ZINC000773765140 627912893 /nfs/dbraw/zinc/91/28/93/627912893.db2.gz GUNBCTRQQGTRFM-CQSZACIVSA-N 1 1 276.424 3.142 20 10 CGCDMO CCN(C)c1ccc(C[NH2+][C@H](C)c2nnc(C)s2)cc1 ZINC000773843796 627920067 /nfs/dbraw/zinc/92/00/67/627920067.db2.gz FSOPCSNKXMCPOR-LLVKDONJSA-N 1 1 290.436 3.153 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)cc1 ZINC000773887221 627925361 /nfs/dbraw/zinc/92/53/61/627925361.db2.gz DZPRHWLNYVIPNJ-RRFJBIMHSA-N 1 1 276.424 3.140 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCOC1)c1cc(Cl)c(Cl)cc1O ZINC000774269215 627970611 /nfs/dbraw/zinc/97/06/11/627970611.db2.gz JVTBDXSYKCJWBZ-JGVFFNPUSA-N 1 1 276.163 3.139 20 10 CGCDMO CC[C@H]([NH2+]Cc1ccon1)c1cc(Cl)ccc1O ZINC000775512169 628102621 /nfs/dbraw/zinc/10/26/21/628102621.db2.gz NCCKBOVSJGROBU-LBPRGKRZSA-N 1 1 266.728 3.275 20 10 CGCDMO CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc(Cl)ccc1[O-] ZINC000775532478 628103980 /nfs/dbraw/zinc/10/39/80/628103980.db2.gz VQXBTJXKPMDCIO-HNNXBMFYSA-N 1 1 294.826 3.348 20 10 CGCDMO CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(Cl)ccc1[O-] ZINC000775532478 628103987 /nfs/dbraw/zinc/10/39/87/628103987.db2.gz VQXBTJXKPMDCIO-HNNXBMFYSA-N 1 1 294.826 3.348 20 10 CGCDMO CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(Cl)c2[O-])C[C@@H]1C ZINC000775715544 628128000 /nfs/dbraw/zinc/12/80/00/628128000.db2.gz GPKOUOJLSQHUGI-JSGCOSHPSA-N 1 1 296.842 3.350 20 10 CGCDMO CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(Cl)c2[O-])C[C@@H]1C ZINC000775715544 628128006 /nfs/dbraw/zinc/12/80/06/628128006.db2.gz GPKOUOJLSQHUGI-JSGCOSHPSA-N 1 1 296.842 3.350 20 10 CGCDMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])C[C@@H]1C ZINC000775715544 628128011 /nfs/dbraw/zinc/12/80/11/628128011.db2.gz GPKOUOJLSQHUGI-JSGCOSHPSA-N 1 1 296.842 3.350 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2C[C@H](C)CCC[C@@H]2C)c1 ZINC000775710015 628128490 /nfs/dbraw/zinc/12/84/90/628128490.db2.gz ZVKQBWLNKOXGDN-OLZOCXBDSA-N 1 1 263.381 3.411 20 10 CGCDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C)c2O)C12CCC2 ZINC000775743379 628132141 /nfs/dbraw/zinc/13/21/41/628132141.db2.gz ZKJSMAFTQRYULK-HZPDHXFCSA-N 1 1 289.419 3.480 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@H](C3CC3)C2)cc1C(C)C ZINC000776773751 628231283 /nfs/dbraw/zinc/23/12/83/628231283.db2.gz VSVQADZQSCGRTH-SFHVURJKSA-N 1 1 289.419 3.435 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000777440185 628270983 /nfs/dbraw/zinc/27/09/83/628270983.db2.gz VZELPSKYEZFJOF-INIZCTEOSA-N 1 1 275.392 3.092 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000779023651 628384271 /nfs/dbraw/zinc/38/42/71/628384271.db2.gz VKJFKGIFACBMRV-MRXNPFEDSA-N 1 1 253.345 3.209 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@@]3(CC[C@H](C)C3)C2)c1O ZINC000781931619 628606218 /nfs/dbraw/zinc/60/62/18/628606218.db2.gz ZMLFEDLPTNEVFS-SUMWQHHRSA-N 1 1 275.392 3.413 20 10 CGCDMO C[C@@H](Nc1ccc2c(c1)[nH+]cn2C)c1ccccc1O ZINC000783533063 628722780 /nfs/dbraw/zinc/72/27/80/628722780.db2.gz ZEKOOJNBFPYUNY-LLVKDONJSA-N 1 1 267.332 3.452 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCCC3(CCCC3)C1)OCO2 ZINC000783542695 628724017 /nfs/dbraw/zinc/72/40/17/628724017.db2.gz JXZXTHVMLKFZHM-UHFFFAOYSA-N 1 1 289.375 3.277 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000783593220 628729589 /nfs/dbraw/zinc/72/95/89/628729589.db2.gz OHWUVOMNJQAUGB-GZBFAFLISA-N 1 1 275.392 3.411 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)C[C@@H]2CC=CCC2)c1O ZINC000784017080 628767023 /nfs/dbraw/zinc/76/70/23/628767023.db2.gz VRKTWGAKTCPCIG-CQSZACIVSA-N 1 1 275.392 3.497 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCSC(C)(C)CC2)c1O ZINC000788379332 629047852 /nfs/dbraw/zinc/04/78/52/629047852.db2.gz WLXGOSCNZUDPQR-UHFFFAOYSA-N 1 1 295.448 3.427 20 10 CGCDMO CC1(C)CC[C@@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)O1 ZINC000790987623 629246768 /nfs/dbraw/zinc/24/67/68/629246768.db2.gz DNKZEFBUVAKVJW-VIFPVBQESA-N 1 1 287.762 3.232 20 10 CGCDMO CO[C@H]1CCC[C@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790988881 629246839 /nfs/dbraw/zinc/24/68/39/629246839.db2.gz FQRRWMPBVTVIRT-ZANVPECISA-N 1 1 287.762 3.089 20 10 CGCDMO CC(C)(C[NH2+]Cc1cc(Cl)ccc1[O-])C[NH+]1CCCC1 ZINC000791010124 629249864 /nfs/dbraw/zinc/24/98/64/629249864.db2.gz DVRIWZAAWILZRA-UHFFFAOYSA-N 1 1 296.842 3.257 20 10 CGCDMO CC[N@@H+](Cc1cc(F)c(N(C)C)cc1F)C1CC1 ZINC000862220170 629325064 /nfs/dbraw/zinc/32/50/64/629325064.db2.gz LCNOGZJHASFNBK-UHFFFAOYSA-N 1 1 254.324 3.015 20 10 CGCDMO Oc1cccc(Br)c1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000862249860 629331579 /nfs/dbraw/zinc/33/15/79/629331579.db2.gz FKLLCOGSZXVALP-NSHDSACASA-N 1 1 296.208 3.387 20 10 CGCDMO CCC[N@@H+](Cc1cc(C)ccc1O)[C@H](CC)C(=O)OCC ZINC000792185262 629346773 /nfs/dbraw/zinc/34/67/73/629346773.db2.gz CVZJMOFJGQAPKO-OAHLLOKOSA-N 1 1 293.407 3.254 20 10 CGCDMO Oc1c(Cl)cccc1Cn1c[nH+]c2c1CCCC2 ZINC000862431265 629370695 /nfs/dbraw/zinc/37/06/95/629370695.db2.gz LLQVDBBUUCJFGK-UHFFFAOYSA-N 1 1 262.740 3.169 20 10 CGCDMO CCc1cccc(C[N@@H+]2Cc3ccc(O)cc3C2)c1O ZINC000862451203 629381152 /nfs/dbraw/zinc/38/11/52/629381152.db2.gz KBLCZOABHAHRDX-UHFFFAOYSA-N 1 1 269.344 3.176 20 10 CGCDMO CCc1cccc(C[N@H+]2Cc3ccc(O)cc3C2)c1O ZINC000862451203 629381154 /nfs/dbraw/zinc/38/11/54/629381154.db2.gz KBLCZOABHAHRDX-UHFFFAOYSA-N 1 1 269.344 3.176 20 10 CGCDMO C[C@@H]1C[C@H](C)[N@H+]1Cc1cccc(Br)c1O ZINC000793227445 629431952 /nfs/dbraw/zinc/43/19/52/629431952.db2.gz CETCDOIAQTXDBD-DTORHVGOSA-N 1 1 270.170 3.137 20 10 CGCDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cccc(Br)c1O ZINC000793227445 629431954 /nfs/dbraw/zinc/43/19/54/629431954.db2.gz CETCDOIAQTXDBD-DTORHVGOSA-N 1 1 270.170 3.137 20 10 CGCDMO CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccc(F)cc1[O-] ZINC000796676160 629814021 /nfs/dbraw/zinc/81/40/21/629814021.db2.gz DPBMSVIHFJLHQB-OAHLLOKOSA-N 1 1 282.403 3.302 20 10 CGCDMO CC[C@H]([NH2+]CCN1CCCCC1)c1ccc(F)cc1O ZINC000796683719 629814376 /nfs/dbraw/zinc/81/43/76/629814376.db2.gz PMTFPSIZMBJKHD-HNNXBMFYSA-N 1 1 280.387 3.058 20 10 CGCDMO CC[C@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccc(F)cc1O ZINC000796703400 629817809 /nfs/dbraw/zinc/81/78/09/629817809.db2.gz UINOOERPLQRXSF-BBRMVZONSA-N 1 1 294.414 3.446 20 10 CGCDMO CC[C@@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(F)cc1O ZINC000796793264 629836404 /nfs/dbraw/zinc/83/64/04/629836404.db2.gz REDXWLCEPZTOLT-HIFRSBDPSA-N 1 1 267.344 3.141 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc(F)cc1O ZINC000796945349 629863566 /nfs/dbraw/zinc/86/35/66/629863566.db2.gz PMFNPCCVXLYELL-KGLIPLIRSA-N 1 1 295.379 3.367 20 10 CGCDMO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000797114079 629890092 /nfs/dbraw/zinc/89/00/92/629890092.db2.gz NYFLQIUJEPXMIG-QAPCUYQASA-N 1 1 289.467 3.278 20 10 CGCDMO CCC[N@H+]1CCC[C@H]1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000797114079 629890093 /nfs/dbraw/zinc/89/00/93/629890093.db2.gz NYFLQIUJEPXMIG-QAPCUYQASA-N 1 1 289.467 3.278 20 10 CGCDMO CC1=C[C@@H](C)C[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000797416865 629944731 /nfs/dbraw/zinc/94/47/31/629944731.db2.gz LBPBAXKCEINHJZ-GFCCVEGCSA-N 1 1 268.360 3.338 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C)c2O)CCCO1 ZINC000798964648 630131235 /nfs/dbraw/zinc/13/12/35/630131235.db2.gz ONBZLPMHXBVYLQ-CQSZACIVSA-N 1 1 283.799 3.355 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c1O ZINC000798965266 630131913 /nfs/dbraw/zinc/13/19/13/630131913.db2.gz QOESGEOXDVZPGC-CQSZACIVSA-N 1 1 268.360 3.085 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccon2)c1O ZINC000808700607 630295818 /nfs/dbraw/zinc/29/58/18/630295818.db2.gz NLRMJYDXQUKNOV-VIFPVBQESA-N 1 1 266.728 3.193 20 10 CGCDMO CCCC[N@@H+](C/C=C(\C)C(=O)OC)Cc1ccccc1O ZINC000801595469 630346523 /nfs/dbraw/zinc/34/65/23/630346523.db2.gz DBDKQEZZCASKOG-GXDHUFHOSA-N 1 1 291.391 3.114 20 10 CGCDMO CCOc1ccc(C[NH2+]C2(C(F)F)CCCC2)c(O)c1 ZINC000808451409 630646334 /nfs/dbraw/zinc/64/63/34/630646334.db2.gz OBQWUJALKBIPRV-UHFFFAOYSA-N 1 1 285.334 3.458 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@@H](CC)CSC)c1 ZINC000809767835 630804154 /nfs/dbraw/zinc/80/41/54/630804154.db2.gz VPSHUWMGSNOHGJ-ZDUSSCGKSA-N 1 1 283.437 3.364 20 10 CGCDMO CCC[N@@H+](CC)C[C@@H](C)NCc1c(O)cccc1Cl ZINC000810180009 630850848 /nfs/dbraw/zinc/85/08/48/630850848.db2.gz LCWHIMILWXVXMJ-GFCCVEGCSA-N 1 1 284.831 3.256 20 10 CGCDMO CCCN(CC)C[C@@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000810180009 630850851 /nfs/dbraw/zinc/85/08/51/630850851.db2.gz LCWHIMILWXVXMJ-GFCCVEGCSA-N 1 1 284.831 3.256 20 10 CGCDMO Cc1cc(Cl)cc(CN[C@@H](C)C[N@@H+](C)C(C)C)c1O ZINC000811512194 631079677 /nfs/dbraw/zinc/07/96/77/631079677.db2.gz GSQOEJMZDKZSMU-LBPRGKRZSA-N 1 1 284.831 3.172 20 10 CGCDMO Cc1cc(Cl)cc(CN[C@@H](C)C[N@H+](C)C(C)C)c1O ZINC000811512194 631079683 /nfs/dbraw/zinc/07/96/83/631079683.db2.gz GSQOEJMZDKZSMU-LBPRGKRZSA-N 1 1 284.831 3.172 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c(O)c1 ZINC000811512279 631079724 /nfs/dbraw/zinc/07/97/24/631079724.db2.gz JZEYRWNBAJZUKK-NSHDSACASA-N 1 1 285.334 3.268 20 10 CGCDMO CC1(C)C[N@@H+](Cc2c(O)cccc2Cl)[C@@H]1[C@H]1CCCO1 ZINC000811511060 631080166 /nfs/dbraw/zinc/08/01/66/631080166.db2.gz SZEXZVHMRFKNJU-HUUCEWRRSA-N 1 1 295.810 3.435 20 10 CGCDMO Cc1ccc(C[N@@H+](C)Cc2cccc(O)c2)c(O)c1 ZINC000876511502 634848921 /nfs/dbraw/zinc/84/89/21/634848921.db2.gz KRKABIAVAXTBOU-UHFFFAOYSA-N 1 1 257.333 3.038 20 10 CGCDMO Cc1ccc(NC(=O)C[N@H+](C)Cc2c(C)cccc2O)cc1 ZINC000876530214 634851751 /nfs/dbraw/zinc/85/17/51/634851751.db2.gz RBGMOAPSKZXTDV-UHFFFAOYSA-N 1 1 298.386 3.080 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000876545949 634853911 /nfs/dbraw/zinc/85/39/11/634853911.db2.gz PTDFXKALXMALMM-MRXNPFEDSA-N 1 1 270.376 3.376 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H](O)C(C)C ZINC000814635791 631614634 /nfs/dbraw/zinc/61/46/34/631614634.db2.gz NSRWHWOGMUNLCN-MRXNPFEDSA-N 1 1 265.397 3.011 20 10 CGCDMO Cc1cc(C[N@@H+]2CC[C@@H](OCC(C)C)C2)ccc1N(C)C ZINC000815060931 631709426 /nfs/dbraw/zinc/70/94/26/631709426.db2.gz GNUIXOYNFAIQGB-QGZVFWFLSA-N 1 1 290.451 3.308 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@H](C3CC3)C2)ccc1N(C)C ZINC000815078250 631712270 /nfs/dbraw/zinc/71/22/70/631712270.db2.gz UAOPEUZMQGIGHN-INIZCTEOSA-N 1 1 258.409 3.293 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)Cc2cnccc2C)cc1 ZINC000815105580 631717555 /nfs/dbraw/zinc/71/75/55/631717555.db2.gz HHWGLLAGRJJWAO-UHFFFAOYSA-N 1 1 283.419 3.478 20 10 CGCDMO Cc1cc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)ccc1N(C)C ZINC000815100813 631718226 /nfs/dbraw/zinc/71/82/26/631718226.db2.gz XNOFKKSRZFFIPH-DHSIGJKJSA-N 1 1 290.451 3.042 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N(C)CC)cc2)CCCO1 ZINC000815107376 631719353 /nfs/dbraw/zinc/71/93/53/631719353.db2.gz KTMDHOAOTABSOY-QGZVFWFLSA-N 1 1 276.424 3.144 20 10 CGCDMO CC(C)[C@@H](CO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815587005 631801777 /nfs/dbraw/zinc/80/17/77/631801777.db2.gz WXOKBRNXWFCLPG-BXKDBHETSA-N 1 1 291.313 3.079 20 10 CGCDMO C[C@@H]([NH2+]CCc1cn[nH]c1)c1cccc(C(F)(F)F)c1O ZINC000815627886 631808585 /nfs/dbraw/zinc/80/85/85/631808585.db2.gz MCJLJHQQYIUOBH-SECBINFHSA-N 1 1 299.296 3.027 20 10 CGCDMO C[N@H+](Cc1ccc2ccccc2c1O)C[C@@H]1CCCO1 ZINC000816484755 631989111 /nfs/dbraw/zinc/98/91/11/631989111.db2.gz NNHJOPPEKWTQAW-HNNXBMFYSA-N 1 1 271.360 3.156 20 10 CGCDMO Oc1c(C[N@H+]2CC[C@H](N3CCCC3)C2)ccc2ccccc21 ZINC000816499163 631993542 /nfs/dbraw/zinc/99/35/42/631993542.db2.gz HKFCXQGHHUWGNZ-KRWDZBQOSA-N 1 1 296.414 3.216 20 10 CGCDMO Oc1c(CN2CC[C@H]([NH+]3CCCC3)C2)ccc2ccccc21 ZINC000816499163 631993547 /nfs/dbraw/zinc/99/35/47/631993547.db2.gz HKFCXQGHHUWGNZ-KRWDZBQOSA-N 1 1 296.414 3.216 20 10 CGCDMO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1ccc2ccccc2c1O ZINC000816513208 632000857 /nfs/dbraw/zinc/00/08/57/632000857.db2.gz JWKZZCFUQSCTMM-XJKSGUPXSA-N 1 1 285.387 3.281 20 10 CGCDMO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816519990 632001698 /nfs/dbraw/zinc/00/16/98/632001698.db2.gz CBKIAPARQRZDEF-DTWKUNHWSA-N 1 1 257.736 3.415 20 10 CGCDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816519990 632001700 /nfs/dbraw/zinc/00/17/00/632001700.db2.gz CBKIAPARQRZDEF-DTWKUNHWSA-N 1 1 257.736 3.415 20 10 CGCDMO C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816592061 632019127 /nfs/dbraw/zinc/01/91/27/632019127.db2.gz WWFBUXUDVQFVSR-KRWDZBQOSA-N 1 1 298.430 3.462 20 10 CGCDMO C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816592061 632019134 /nfs/dbraw/zinc/01/91/34/632019134.db2.gz WWFBUXUDVQFVSR-KRWDZBQOSA-N 1 1 298.430 3.462 20 10 CGCDMO Cc1ccoc1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816617281 632025261 /nfs/dbraw/zinc/02/52/61/632025261.db2.gz TZBADTZBWFDTNE-UHFFFAOYSA-N 1 1 269.703 3.376 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC(C)(C)[C@H]2C(C)C)cc1OC ZINC000816624880 632026716 /nfs/dbraw/zinc/02/67/16/632026716.db2.gz KBIOWZPDRXKJKQ-MRXNPFEDSA-N 1 1 293.407 3.276 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)cc1F ZINC000817413871 632143745 /nfs/dbraw/zinc/14/37/45/632143745.db2.gz BVEVHQYZOUYFJI-ZFWWWQNUSA-N 1 1 294.414 3.017 20 10 CGCDMO C[C@H]([NH2+]CCCC1(O)CCC1)c1ccc(Cl)cc1O ZINC000817585831 632192053 /nfs/dbraw/zinc/19/20/53/632192053.db2.gz IVEATJXIVXLPCU-NSHDSACASA-N 1 1 283.799 3.391 20 10 CGCDMO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1 ZINC000817938072 632237669 /nfs/dbraw/zinc/23/76/69/632237669.db2.gz CUVGQCQCANHMHO-KDOFPFPSSA-N 1 1 283.419 3.103 20 10 CGCDMO C[C@H]1C[C@H](NCC2([NH3+])CCCCC2)c2c1c(F)ccc2O ZINC000817938371 632239490 /nfs/dbraw/zinc/23/94/90/632239490.db2.gz JOSBNNRYZREIDF-AAEUAGOBSA-N 1 1 292.398 3.331 20 10 CGCDMO C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc2ccccc2c1[O-] ZINC000817941814 632240221 /nfs/dbraw/zinc/24/02/21/632240221.db2.gz SGNHSTLLLUSHMN-ZDUSSCGKSA-N 1 1 284.403 3.196 20 10 CGCDMO C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000817957286 632252361 /nfs/dbraw/zinc/25/23/61/632252361.db2.gz AGQKNNYCUYVHHG-BONVTDFDSA-N 1 1 298.377 3.229 20 10 CGCDMO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])c2c1c(F)ccc2[O-] ZINC000817959056 632254774 /nfs/dbraw/zinc/25/47/74/632254774.db2.gz AYAJKHWYGKFOAI-WVWOOGAGSA-N 1 1 292.398 3.187 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cc(Cl)ccc1[O-] ZINC000817980444 632271281 /nfs/dbraw/zinc/27/12/81/632271281.db2.gz BBJAQCMMBLIRCU-OSMZGAPFSA-N 1 1 282.815 3.214 20 10 CGCDMO C[C@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N(C)C)cc1 ZINC000817987155 632275714 /nfs/dbraw/zinc/27/57/14/632275714.db2.gz WTZFXDDKDTVAQT-GOEBONIOSA-N 1 1 287.451 3.078 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@H]2C2CCC2)c1 ZINC000818355486 632312813 /nfs/dbraw/zinc/31/28/13/632312813.db2.gz GXEBGISFPSGZJA-NZVBXONLSA-N 1 1 289.375 3.018 20 10 CGCDMO C[C@@H]1CC2(C[N@@H+]1Cc1c([O-])cccc1Cl)CC[NH2+]CC2 ZINC000818431746 632318065 /nfs/dbraw/zinc/31/80/65/632318065.db2.gz SMMULGKWESLUQA-GFCCVEGCSA-N 1 1 294.826 3.010 20 10 CGCDMO C[C@@H]1CC2(C[N@H+]1Cc1c([O-])cccc1Cl)CC[NH2+]CC2 ZINC000818431746 632318069 /nfs/dbraw/zinc/31/80/69/632318069.db2.gz SMMULGKWESLUQA-GFCCVEGCSA-N 1 1 294.826 3.010 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@H](OCC(C)C)C2)cc1C ZINC000120814310 632955576 /nfs/dbraw/zinc/95/55/76/632955576.db2.gz FHHBKYABSXZIFC-INIZCTEOSA-N 1 1 277.408 3.256 20 10 CGCDMO CC[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(F)cc1O ZINC000866632669 633221377 /nfs/dbraw/zinc/22/13/77/633221377.db2.gz AYWAVRXITZSEOW-ZIAGYGMSSA-N 1 1 289.354 3.304 20 10 CGCDMO Oc1ccc(Br)cc1C[N@H+]1CC[C@@H]1C1CC1 ZINC000824650121 633267468 /nfs/dbraw/zinc/26/74/68/633267468.db2.gz JBYCDUCIOUQZAA-GFCCVEGCSA-N 1 1 282.181 3.139 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](CCC[C@H]2CCO2)C2CC2)cc1 ZINC000876571019 634860441 /nfs/dbraw/zinc/86/04/41/634860441.db2.gz RQMDAANXDNDLHY-SFHVURJKSA-N 1 1 288.435 3.286 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](OC)[C@@H](C)C2)cc1 ZINC000824815473 633294815 /nfs/dbraw/zinc/29/48/15/633294815.db2.gz QBCITQLOAXXCAA-YJBOKZPZSA-N 1 1 290.451 3.390 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C[C@H]1C ZINC000824815669 633295016 /nfs/dbraw/zinc/29/50/16/633295016.db2.gz WJYJLYFVBPQLQS-FZKQIMNGSA-N 1 1 285.387 3.402 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)Cc2cccn2C)cc1Cl ZINC000824851213 633300928 /nfs/dbraw/zinc/30/09/28/633300928.db2.gz WHNRJRUZEGCYJB-UHFFFAOYSA-N 1 1 278.783 3.325 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCSC[C@@H]2C2CC2)c1O ZINC000824914364 633304799 /nfs/dbraw/zinc/30/47/99/633304799.db2.gz QWHSGEWTQJHDHW-CQSZACIVSA-N 1 1 293.432 3.118 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCSC[C@@H]2C2CC2)c1 ZINC000824914507 633305419 /nfs/dbraw/zinc/30/54/19/633305419.db2.gz SRGKVLLPSZAWPL-OAHLLOKOSA-N 1 1 293.432 3.118 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000824940723 633308569 /nfs/dbraw/zinc/30/85/69/633308569.db2.gz BFKZZNXWWSEJLG-RDJZCZTQSA-N 1 1 273.376 3.021 20 10 CGCDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(C)ccc2O)C12CCC2 ZINC000825104326 633328347 /nfs/dbraw/zinc/32/83/47/633328347.db2.gz UFEKXRXPXBIUDG-JKSUJKDBSA-N 1 1 275.392 3.090 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCOCC12CCCCC2 ZINC000825098440 633328632 /nfs/dbraw/zinc/32/86/32/633328632.db2.gz ILDCPQNDRLJPOH-UHFFFAOYSA-N 1 1 279.355 3.066 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@]3(CCOC3)C2)c1O ZINC000825133868 633331488 /nfs/dbraw/zinc/33/14/88/633331488.db2.gz NOYUGIXUPLOAGG-INIZCTEOSA-N 1 1 295.810 3.357 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@](C)(O)CC2)cc1Cl ZINC000825739040 633379507 /nfs/dbraw/zinc/37/95/07/633379507.db2.gz WKVLVXPVLWOOCY-OAHLLOKOSA-N 1 1 283.799 3.091 20 10 CGCDMO C[C@@H]1CCC[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2O)O1 ZINC000827252119 633476031 /nfs/dbraw/zinc/47/60/31/633476031.db2.gz XDSREUHMVYGNAD-KOLCDFICSA-N 1 1 287.762 3.232 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000827506245 633495241 /nfs/dbraw/zinc/49/52/41/633495241.db2.gz FKGIWYLDKGIQRW-RKDXNWHRSA-N 1 1 255.720 3.027 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000827506245 633495243 /nfs/dbraw/zinc/49/52/43/633495243.db2.gz FKGIWYLDKGIQRW-RKDXNWHRSA-N 1 1 255.720 3.027 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc(O)ccc1F ZINC000872031619 633950902 /nfs/dbraw/zinc/95/09/02/633950902.db2.gz RKFGZJZPFJTYGY-NSHDSACASA-N 1 1 287.334 3.317 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](F)C2)cc1 ZINC000846120517 636147732 /nfs/dbraw/zinc/14/77/32/636147732.db2.gz RCKGUYKEJCGPQQ-UJAVWCLSSA-N 1 1 262.372 3.200 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H](F)C2)cc1 ZINC000846120517 636147733 /nfs/dbraw/zinc/14/77/33/636147733.db2.gz RCKGUYKEJCGPQQ-UJAVWCLSSA-N 1 1 262.372 3.200 20 10 CGCDMO CC(C)CN1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000834501550 634173991 /nfs/dbraw/zinc/17/39/91/634173991.db2.gz CMIKULXXOCBLRG-INIZCTEOSA-N 1 1 288.435 3.090 20 10 CGCDMO CCC1([NH+](C)C)CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000872668370 634184273 /nfs/dbraw/zinc/18/42/73/634184273.db2.gz FLGIIYOKRHYYRD-UHFFFAOYSA-N 1 1 290.451 3.315 20 10 CGCDMO C[C@@H]1CSCC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835048375 634334717 /nfs/dbraw/zinc/33/47/17/634334717.db2.gz HNWMBUSBJDFSBG-XVWMLYKFSA-N 1 1 290.476 3.451 20 10 CGCDMO Cc1ncc(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])s1 ZINC000876622632 634870290 /nfs/dbraw/zinc/87/02/90/634870290.db2.gz JCBJQDFGRNVVGC-UHFFFAOYSA-N 1 1 284.331 3.067 20 10 CGCDMO Cc1ncc(CN(C)Cc2ccc(F)c(F)c2[O-])s1 ZINC000876622632 634870298 /nfs/dbraw/zinc/87/02/98/634870298.db2.gz JCBJQDFGRNVVGC-UHFFFAOYSA-N 1 1 284.331 3.067 20 10 CGCDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(C)cc2O)C[C@@H]1C ZINC000876761189 634894198 /nfs/dbraw/zinc/89/41/98/634894198.db2.gz ZSLXKSYYEGXGCP-HOCLYGCPSA-N 1 1 276.424 3.005 20 10 CGCDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2O)C[C@@H]1C ZINC000876761189 634894200 /nfs/dbraw/zinc/89/42/00/634894200.db2.gz ZSLXKSYYEGXGCP-HOCLYGCPSA-N 1 1 276.424 3.005 20 10 CGCDMO Cc1ccc(C[N@H+]2CCS[C@H](C)CC2)c(O)c1 ZINC000877475450 635051233 /nfs/dbraw/zinc/05/12/33/635051233.db2.gz HVGNWHQSRVYEGG-GFCCVEGCSA-N 1 1 251.395 3.028 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c(Cl)c1 ZINC000840910545 635079819 /nfs/dbraw/zinc/07/98/19/635079819.db2.gz OYFBJJKGGZBREC-LBPRGKRZSA-N 1 1 295.810 3.355 20 10 CGCDMO Cc1cc(O)c(CN(C)[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000840914143 635081032 /nfs/dbraw/zinc/08/10/32/635081032.db2.gz PRTDTSVEBDFUBA-CYBMUJFWSA-N 1 1 294.826 3.023 20 10 CGCDMO Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c(O)c1 ZINC000877564050 635093449 /nfs/dbraw/zinc/09/34/49/635093449.db2.gz WRXLQARGXFHYJZ-GVDBMIGSSA-N 1 1 289.419 3.216 20 10 CGCDMO Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2C(C)C)c(O)c1 ZINC000877590699 635104929 /nfs/dbraw/zinc/10/49/29/635104929.db2.gz DVPFRBMUTMPEKE-QGZVFWFLSA-N 1 1 289.419 3.338 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000841088534 635120004 /nfs/dbraw/zinc/12/00/04/635120004.db2.gz YZYHVKYWKXSMMA-WFASDCNBSA-N 1 1 294.826 3.010 20 10 CGCDMO Oc1ccc(Cl)cc1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000841088534 635120007 /nfs/dbraw/zinc/12/00/07/635120007.db2.gz YZYHVKYWKXSMMA-WFASDCNBSA-N 1 1 294.826 3.010 20 10 CGCDMO [O-]c1ccc(Cl)cc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000841088534 635120011 /nfs/dbraw/zinc/12/00/11/635120011.db2.gz YZYHVKYWKXSMMA-WFASDCNBSA-N 1 1 294.826 3.010 20 10 CGCDMO [O-]c1ccc(Cl)cc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000841088534 635120012 /nfs/dbraw/zinc/12/00/12/635120012.db2.gz YZYHVKYWKXSMMA-WFASDCNBSA-N 1 1 294.826 3.010 20 10 CGCDMO Cc1ccc(CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)c(O)c1 ZINC000877631955 635122829 /nfs/dbraw/zinc/12/28/29/635122829.db2.gz YCAAATCRDVENNO-MRXNPFEDSA-N 1 1 288.435 3.197 20 10 CGCDMO Cc1ccc(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)c(O)c1 ZINC000877631955 635122833 /nfs/dbraw/zinc/12/28/33/635122833.db2.gz YCAAATCRDVENNO-MRXNPFEDSA-N 1 1 288.435 3.197 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000877812587 635219236 /nfs/dbraw/zinc/21/92/36/635219236.db2.gz QYEPWXIGJHGPHV-ZDUSSCGKSA-N 1 1 273.298 3.475 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1ccc(Cl)cc1O ZINC000841743844 635222554 /nfs/dbraw/zinc/22/25/54/635222554.db2.gz CIEUGSLXFWZFAH-NILFDRSVSA-N 1 1 294.826 3.323 20 10 CGCDMO CC[C@H](O)CCC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841747401 635223982 /nfs/dbraw/zinc/22/39/82/635223982.db2.gz ASOJBCWYMCYUQT-PWSUYJOCSA-N 1 1 271.788 3.247 20 10 CGCDMO CC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841758269 635230929 /nfs/dbraw/zinc/23/09/29/635230929.db2.gz KXTZSAMLIQZVJM-MNOVXSKESA-N 1 1 271.788 3.105 20 10 CGCDMO CC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841758273 635231183 /nfs/dbraw/zinc/23/11/83/635231183.db2.gz KXTZSAMLIQZVJM-WDEREUQCSA-N 1 1 271.788 3.105 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCSC[C@@H]1C1CCC1 ZINC000841894616 635250482 /nfs/dbraw/zinc/25/04/82/635250482.db2.gz ZXZJELLCQARQSD-CQSZACIVSA-N 1 1 281.396 3.249 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)c1 ZINC000842645683 635426604 /nfs/dbraw/zinc/42/66/04/635426604.db2.gz YJOMTLOBFNQQQI-CQSZACIVSA-N 1 1 275.392 3.152 20 10 CGCDMO C[C@@H]1SCC[C@@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000842778567 635469519 /nfs/dbraw/zinc/46/95/19/635469519.db2.gz GYYVCTHWJNRVAX-XVKPBYJWSA-N 1 1 275.776 3.168 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843045232 635549511 /nfs/dbraw/zinc/54/95/11/635549511.db2.gz QEMNIFQEERHYQP-WFASDCNBSA-N 1 1 294.826 3.010 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000843416969 635663202 /nfs/dbraw/zinc/66/32/02/635663202.db2.gz NBCGWCZJCVLGHF-IUODEOHRSA-N 1 1 295.810 3.437 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000843416954 635663398 /nfs/dbraw/zinc/66/33/98/635663398.db2.gz MMADHYDVZHUTMD-GOEBONIOSA-N 1 1 275.392 3.092 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC000843420025 635665363 /nfs/dbraw/zinc/66/53/63/635665363.db2.gz YXQQKVNISQVKMV-OAHLLOKOSA-N 1 1 268.360 3.085 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)ccc1N(C)C ZINC000844469041 635911102 /nfs/dbraw/zinc/91/11/02/635911102.db2.gz UDYRMNOWLIKRCP-HNNXBMFYSA-N 1 1 280.362 3.292 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@H](OC(C)C)C2)c(O)cc1C ZINC000844718467 635956653 /nfs/dbraw/zinc/95/66/53/635956653.db2.gz VRAQVTQQILAVED-HNNXBMFYSA-N 1 1 293.407 3.099 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H](OC(C)C)C2)c1O ZINC000844718301 635956795 /nfs/dbraw/zinc/95/67/95/635956795.db2.gz GMPIATAITOJCES-HNNXBMFYSA-N 1 1 293.407 3.099 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(C)cc(OC)c2O)[C@@H](CC)CO1 ZINC000844724825 635957295 /nfs/dbraw/zinc/95/72/95/635957295.db2.gz FGJSOKPGIQSODY-GJZGRUSLSA-N 1 1 293.407 3.099 20 10 CGCDMO CCc1nc(NCc2cc(Cl)ccc2O)cc(C)[nH+]1 ZINC000845708979 636083838 /nfs/dbraw/zinc/08/38/38/636083838.db2.gz KBZVQDPMZWHODU-UHFFFAOYSA-N 1 1 277.755 3.319 20 10 CGCDMO CCC[N@H+](CC)C[C@H](C)N[C@H](C)c1cccc(OC)c1O ZINC000846169968 636152753 /nfs/dbraw/zinc/15/27/53/636152753.db2.gz LJDYDIXWUFNVNO-UONOGXRCSA-N 1 1 294.439 3.172 20 10 CGCDMO CCC[N@@H+](CC)C[C@H](C)N[C@H](C)c1cccc(OC)c1O ZINC000846169968 636152755 /nfs/dbraw/zinc/15/27/55/636152755.db2.gz LJDYDIXWUFNVNO-UONOGXRCSA-N 1 1 294.439 3.172 20 10 CGCDMO COc1cccc([C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)c1O ZINC000846177425 636153949 /nfs/dbraw/zinc/15/39/49/636153949.db2.gz OWMZIOILLQOGAA-AWEZNQCLSA-N 1 1 294.439 3.029 20 10 CGCDMO COc1cccc([C@H](C)NCCC[N@H+](C)CC(C)C)c1O ZINC000846177425 636153952 /nfs/dbraw/zinc/15/39/52/636153952.db2.gz OWMZIOILLQOGAA-AWEZNQCLSA-N 1 1 294.439 3.029 20 10 CGCDMO COc1cccc([C@H](C)NCCC[N@@H+](C)CC(C)C)c1O ZINC000846177425 636153956 /nfs/dbraw/zinc/15/39/56/636153956.db2.gz OWMZIOILLQOGAA-AWEZNQCLSA-N 1 1 294.439 3.029 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2(C3CCC3)CC2)c1 ZINC000846206561 636158496 /nfs/dbraw/zinc/15/84/96/636158496.db2.gz FBOCPVBNAYUXIV-NSHDSACASA-N 1 1 289.375 3.162 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)C(C)(C)C)c1 ZINC000846215314 636160143 /nfs/dbraw/zinc/16/01/43/636160143.db2.gz XERUZATZVTXRJX-WDEREUQCSA-N 1 1 279.380 3.264 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCCN(c3ccccc3)CC2)c1 ZINC000130781433 636512280 /nfs/dbraw/zinc/51/22/80/636512280.db2.gz NEAJVABZUFHWNQ-UHFFFAOYSA-N 1 1 296.414 3.413 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@H]1CCCCO1 ZINC000883162109 636561118 /nfs/dbraw/zinc/56/11/18/636561118.db2.gz JSTHIQCWUSDEPW-ZIAGYGMSSA-N 1 1 285.334 3.108 20 10 CGCDMO CC1(C)[C@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1(F)F ZINC000883180203 636568306 /nfs/dbraw/zinc/56/83/06/636568306.db2.gz WEONCMXRJPVHLY-JTQLQIEISA-N 1 1 277.261 3.051 20 10 CGCDMO CCc1cccc(C[N@H+](Cc2ccccc2)C[C@H](C)O)c1O ZINC000848882590 636672179 /nfs/dbraw/zinc/67/21/79/636672179.db2.gz VIUMDYAVSGPWTD-HNNXBMFYSA-N 1 1 299.414 3.338 20 10 CGCDMO CCc1cccc(CN(C)CC[C@H]2CCCC[N@@H+]2C)c1O ZINC000848888602 636676315 /nfs/dbraw/zinc/67/63/15/636676315.db2.gz XLABKCCHPMIBLD-QGZVFWFLSA-N 1 1 290.451 3.261 20 10 CGCDMO CCc1cccc(CN(C)CC[C@H]2CCCC[N@H+]2C)c1O ZINC000848888602 636676316 /nfs/dbraw/zinc/67/63/16/636676316.db2.gz XLABKCCHPMIBLD-QGZVFWFLSA-N 1 1 290.451 3.261 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1O ZINC000848888448 636677014 /nfs/dbraw/zinc/67/70/14/636677014.db2.gz BGEIJYFOAQASIW-DOTOQJQBSA-N 1 1 289.419 3.203 20 10 CGCDMO CCC[C@]1(CO)CCC[N@H+]1Cc1cccc(CC)c1O ZINC000848907741 636685305 /nfs/dbraw/zinc/68/53/05/636685305.db2.gz RQKROADXVXCTGB-QGZVFWFLSA-N 1 1 277.408 3.082 20 10 CGCDMO CCc1cccc(C[N@H+]2CCCC[C@@H]2c2ccnn2C)c1O ZINC000848909038 636686191 /nfs/dbraw/zinc/68/61/91/636686191.db2.gz JDYWNLZYBWXLPH-QGZVFWFLSA-N 1 1 299.418 3.415 20 10 CGCDMO Cc1cc(O)c(C[NH+]2CC3(CC3(F)F)C2)c(Cl)c1 ZINC000848922177 636692544 /nfs/dbraw/zinc/69/25/44/636692544.db2.gz OCJMYDOEDYCPNF-UHFFFAOYSA-N 1 1 273.710 3.195 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](CC(C)C)C(C)C)c1 ZINC000133517095 636915699 /nfs/dbraw/zinc/91/56/99/636915699.db2.gz OVTUIIKINAHSPH-UHFFFAOYSA-N 1 1 251.370 3.267 20 10 CGCDMO CC1(C)OCC[C@@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000850409330 637052075 /nfs/dbraw/zinc/05/20/75/637052075.db2.gz RDBVQSNFXJZOPW-SECBINFHSA-N 1 1 287.762 3.089 20 10 CGCDMO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)n3ncnc32)cc1 ZINC000850499453 637091984 /nfs/dbraw/zinc/09/19/84/637091984.db2.gz PUGOYABHGIDPQK-WWGRRREGSA-N 1 1 299.422 3.091 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CC(C)(C)C2)c1 ZINC000850576096 637131020 /nfs/dbraw/zinc/13/10/20/637131020.db2.gz GZSLCKRTQKVXPW-JTQLQIEISA-N 1 1 277.364 3.018 20 10 CGCDMO C[N@@H+](Cc1ccc(Cl)nc1)Cc1ccccc1O ZINC000109769287 637265809 /nfs/dbraw/zinc/26/58/09/637265809.db2.gz NVXZPDSKCQMRLM-UHFFFAOYSA-N 1 1 262.740 3.073 20 10 CGCDMO Oc1ccccc1C[N@@H+](CC1CC=CC1)C[C@H]1CCCO1 ZINC000851841902 637519573 /nfs/dbraw/zinc/51/95/73/637519573.db2.gz ZMWOHUCGWZGPPK-QGZVFWFLSA-N 1 1 287.403 3.339 20 10 CGCDMO COc1ccc(C[NH2+][C@H](C)c2c(O)cccc2F)cc1 ZINC000886487681 637537537 /nfs/dbraw/zinc/53/75/37/637537537.db2.gz OGHBEIJLMPZFFE-LLVKDONJSA-N 1 1 275.323 3.391 20 10 CGCDMO C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886516804 637549866 /nfs/dbraw/zinc/54/98/66/637549866.db2.gz YUABHCHQDLUCDE-RKDXNWHRSA-N 1 1 295.276 3.149 20 10 CGCDMO C[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1c(O)cccc1F ZINC000886548142 637575770 /nfs/dbraw/zinc/57/57/70/637575770.db2.gz XWKSKYNKICCJJX-YGRLFVJLSA-N 1 1 293.313 3.055 20 10 CGCDMO C[C@H]([NH2+][C@H](CO)C1CCCCC1)c1c(O)cccc1F ZINC000886550064 637576382 /nfs/dbraw/zinc/57/63/82/637576382.db2.gz RUZFGMSOZXSZNC-SMDDNHRTSA-N 1 1 281.371 3.123 20 10 CGCDMO CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886554837 637577367 /nfs/dbraw/zinc/57/73/67/637577367.db2.gz DPBPKTIWMNMBHL-ABAIWWIYSA-N 1 1 283.387 3.225 20 10 CGCDMO C[C@H]([NH2+]CCSCC(F)(F)F)c1c(O)cccc1F ZINC000886560422 637581680 /nfs/dbraw/zinc/58/16/80/637581680.db2.gz YYHZOQJZDMKYSY-QMMMGPOBSA-N 1 1 297.317 3.477 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1c(O)cccc1F ZINC000886591728 637596390 /nfs/dbraw/zinc/59/63/90/637596390.db2.gz AFFNJZACOWTNDD-ITDIGPHOSA-N 1 1 279.355 3.140 20 10 CGCDMO C[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1c(O)cccc1F ZINC000886592573 637596447 /nfs/dbraw/zinc/59/64/47/637596447.db2.gz XNCOMJWBGRCREP-MZPVMMEZSA-N 1 1 293.382 3.387 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1c(O)cccc1F ZINC000886601406 637597986 /nfs/dbraw/zinc/59/79/86/637597986.db2.gz RUUGHAJPCQGLIV-TZMCWYRMSA-N 1 1 292.398 3.199 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1c(O)cccc1F ZINC000886601403 637599018 /nfs/dbraw/zinc/59/90/18/637599018.db2.gz RUUGHAJPCQGLIV-GXTWGEPZSA-N 1 1 292.398 3.199 20 10 CGCDMO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886621999 637613405 /nfs/dbraw/zinc/61/34/05/637613405.db2.gz HVDQPUOTWXDBHK-ZKYQVNSYSA-N 1 1 267.344 3.140 20 10 CGCDMO CCC[C@@H](C[NH2+][C@H](C)c1c(O)cccc1F)OCC ZINC000886641818 637624605 /nfs/dbraw/zinc/62/46/05/637624605.db2.gz SNJMLLKFSYFEQH-NEPJUHHUSA-N 1 1 269.360 3.387 20 10 CGCDMO C[C@H](O)[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1ccccc1 ZINC000886640326 637625010 /nfs/dbraw/zinc/62/50/10/637625010.db2.gz WTTKSDSQPLJBBI-NVGCLXPQSA-N 1 1 289.350 3.304 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CC(C)(C)CC[C@H]1O)c1c(O)cccc1F ZINC000886645432 637626486 /nfs/dbraw/zinc/62/64/86/637626486.db2.gz ZDKMQRAIKHXEKY-RAIGVLPGSA-N 1 1 281.371 3.122 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CCO)cc1 ZINC000852460106 637654989 /nfs/dbraw/zinc/65/49/89/637654989.db2.gz ANGLHBCHFITHHR-YJBOKZPZSA-N 1 1 290.451 3.126 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)ccc1N(C)C ZINC000886818645 637705255 /nfs/dbraw/zinc/70/52/55/637705255.db2.gz HRSFBKKEZYRPEA-AEFFLSMTSA-N 1 1 288.435 3.062 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CC3(CCC3)OC[C@@H]2C)c1 ZINC000853543063 637865295 /nfs/dbraw/zinc/86/52/95/637865295.db2.gz ZLGLOCHAPNOCTE-AWEZNQCLSA-N 1 1 275.392 3.152 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc2ccccc2c1[O-] ZINC000925783288 638612926 /nfs/dbraw/zinc/61/29/26/638612926.db2.gz FBPUSJQYMRBEKX-IPYPFGDCSA-N 1 1 284.403 3.052 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1[O-] ZINC000858490696 638741351 /nfs/dbraw/zinc/74/13/51/638741351.db2.gz LZCJEDZTJXUVKE-CJNGLKHVSA-N 1 1 294.414 3.304 20 10 CGCDMO C[C@@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1ccc(F)cc1O ZINC000927165196 638849528 /nfs/dbraw/zinc/84/95/28/638849528.db2.gz ZYYYLOBNJNPRCW-IAQYHMDHSA-N 1 1 279.355 3.284 20 10 CGCDMO Cc1cn(C)nc1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000929635437 638936177 /nfs/dbraw/zinc/93/61/77/638936177.db2.gz JTAAVEKCVKFJQX-UHFFFAOYSA-N 1 1 299.418 3.379 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCSCC[C@H]2C)c1 ZINC000189918728 640213095 /nfs/dbraw/zinc/21/30/95/640213095.db2.gz SMUFSVDUPSSAAN-CYBMUJFWSA-N 1 1 265.422 3.336 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCS[C@H](C)[C@H]2C)c1 ZINC000245698636 640632680 /nfs/dbraw/zinc/63/26/80/640632680.db2.gz CQQYPODWKRUDND-VXGBXAGGSA-N 1 1 281.421 3.117 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCS[C@@H](C)[C@H]2C)c1O ZINC000246422427 640674096 /nfs/dbraw/zinc/67/40/96/640674096.db2.gz IHTLUFLUDPHFLS-NEPJUHHUSA-N 1 1 281.421 3.035 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1O ZINC000092086288 640730515 /nfs/dbraw/zinc/73/05/15/640730515.db2.gz DWKXZWUFOYOMMV-AOOOYVTPSA-N 1 1 281.783 3.336 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2CN2CCCCC2)c1 ZINC000092219087 640732060 /nfs/dbraw/zinc/73/20/60/640732060.db2.gz RLPKPCPFNQUZDC-QGZVFWFLSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1ccc(O)c(CN2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000092219087 640732062 /nfs/dbraw/zinc/73/20/62/640732062.db2.gz RLPKPCPFNQUZDC-QGZVFWFLSA-N 1 1 288.435 3.151 20 10 CGCDMO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCc1ccc(N(C)C)cc1 ZINC000093513456 640773679 /nfs/dbraw/zinc/77/36/79/640773679.db2.gz DTUSHTKYDGZMDX-DOTOQJQBSA-N 1 1 289.467 3.153 20 10 CGCDMO COc1cc(NCc2ccc(O)c(O)c2)[nH+]c2ccccc21 ZINC001158997445 806029416 /nfs/dbraw/zinc/02/94/16/806029416.db2.gz IIGXFZXGSLYUMQ-UHFFFAOYSA-N 1 1 296.326 3.267 20 10 CGCDMO COc1ccc2c[nH+]c(NCc3ccc(O)c(O)c3)cc2c1 ZINC001158997590 806029616 /nfs/dbraw/zinc/02/96/16/806029616.db2.gz LHSAOXKJGWWUDW-UHFFFAOYSA-N 1 1 296.326 3.267 20 10 CGCDMO CN(C)c1ccc(CN(CCC[NH3+])Cc2ccccc2)cc1 ZINC000381850689 799388834 /nfs/dbraw/zinc/38/88/34/799388834.db2.gz XLHRWNVYWVVJSF-UHFFFAOYSA-N 1 1 297.446 3.104 20 10 CGCDMO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000391853753 799479245 /nfs/dbraw/zinc/47/92/45/799479245.db2.gz TZJLCXQXCZAYGX-WDEREUQCSA-N 1 1 290.436 3.324 20 10 CGCDMO CCOc1cccc(C[N@H+]2C[C@H](C)C[C@@H]2CC)c1O ZINC000399608850 799539680 /nfs/dbraw/zinc/53/96/80/799539680.db2.gz PZOSTCGGDBSRMK-OCCSQVGLSA-N 1 1 263.381 3.411 20 10 CGCDMO CO[C@H]1CC[C@H](C)[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000687212154 799737503 /nfs/dbraw/zinc/73/75/03/799737503.db2.gz HLLSNRHARVFIOD-GWCFXTLKSA-N 1 1 269.772 3.045 20 10 CGCDMO CCOc1cccc(C[N@@H+](C[C@H](C)OC)C(C)C)c1O ZINC000688107039 799744818 /nfs/dbraw/zinc/74/48/18/799744818.db2.gz SIRRBSCAUBEBOR-ZDUSSCGKSA-N 1 1 281.396 3.036 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@H](CCF)C2)c1O ZINC000689879676 799770039 /nfs/dbraw/zinc/77/00/39/799770039.db2.gz AQVYXPSLAGJJHR-CYBMUJFWSA-N 1 1 251.345 3.272 20 10 CGCDMO C[C@@H]([NH2+]CCCOC(C)(C)C)c1ccc(F)cc1O ZINC000695284221 799827763 /nfs/dbraw/zinc/82/77/63/799827763.db2.gz OFEYCPXLMAJBBO-LLVKDONJSA-N 1 1 269.360 3.387 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@@H](C)C2)c1O ZINC000703271373 799921695 /nfs/dbraw/zinc/92/16/95/799921695.db2.gz CNAQBLNHZUNBQI-LLVKDONJSA-N 1 1 279.355 3.356 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H](C)C2)c1O ZINC000703271373 799921701 /nfs/dbraw/zinc/92/17/01/799921701.db2.gz CNAQBLNHZUNBQI-LLVKDONJSA-N 1 1 279.355 3.356 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCCCS1 ZINC000708467371 799989320 /nfs/dbraw/zinc/98/93/20/799989320.db2.gz ZSFAADZFMKZGPR-NSHDSACASA-N 1 1 273.348 3.046 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708420995 799989337 /nfs/dbraw/zinc/98/93/37/799989337.db2.gz AFUBFRNWYNDLDP-SNVBAGLBSA-N 1 1 255.308 3.292 20 10 CGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000840170376 800495471 /nfs/dbraw/zinc/49/54/71/800495471.db2.gz RTDXLAINACWVIN-STQMWFEESA-N 1 1 293.432 3.085 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@H](C)Cc1ccccn1 ZINC001256420915 806891918 /nfs/dbraw/zinc/89/19/18/806891918.db2.gz GWTZAVZLBCOYCZ-CQSZACIVSA-N 1 1 270.376 3.240 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CCCC[C@H]1N(C)C)c1ccc(F)cc1O ZINC001117113491 802433889 /nfs/dbraw/zinc/43/38/89/802433889.db2.gz VUOCKUBHICHKDB-HRCADAONSA-N 1 1 294.414 3.445 20 10 CGCDMO CCSCC[C@@H](C)[N@@H+](C)Cc1ccc(N)cc1 ZINC001120262816 802737271 /nfs/dbraw/zinc/73/72/71/802737271.db2.gz DTTWWGQQVZHOHC-GFCCVEGCSA-N 1 1 252.427 3.232 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001137831905 803777137 /nfs/dbraw/zinc/77/71/37/803777137.db2.gz RMKHZCLOHWGXCY-PSASIEDQSA-N 1 1 295.251 3.111 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001137831905 803777145 /nfs/dbraw/zinc/77/71/45/803777145.db2.gz RMKHZCLOHWGXCY-PSASIEDQSA-N 1 1 295.251 3.111 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC001137854009 803785088 /nfs/dbraw/zinc/78/50/88/803785088.db2.gz DTRODPBFYOXIQD-LIRRHRJNSA-N 1 1 298.430 3.297 20 10 CGCDMO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c(C)n1-c1ccccc1 ZINC001137854314 803786151 /nfs/dbraw/zinc/78/61/51/803786151.db2.gz QYMVVIVNNSVFJQ-KUHUBIRLSA-N 1 1 298.430 3.297 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001137855848 803786284 /nfs/dbraw/zinc/78/62/84/803786284.db2.gz HTHYSMIMTRFTTQ-SFHVURJKSA-N 1 1 284.403 3.315 20 10 CGCDMO [O-]c1c(F)cccc1C[N@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001138123802 803863035 /nfs/dbraw/zinc/86/30/35/803863035.db2.gz MBZAFEHRLWKENK-LBPRGKRZSA-N 1 1 295.251 3.255 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001138123802 803863045 /nfs/dbraw/zinc/86/30/45/803863045.db2.gz MBZAFEHRLWKENK-LBPRGKRZSA-N 1 1 295.251 3.255 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001138123802 803863053 /nfs/dbraw/zinc/86/30/53/803863053.db2.gz MBZAFEHRLWKENK-LBPRGKRZSA-N 1 1 295.251 3.255 20 10 CGCDMO Cc1c(C[N@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c2ccccc2n1C ZINC001138254334 803882334 /nfs/dbraw/zinc/88/23/34/803882334.db2.gz XJOXKLNMZUDSSZ-ZUEVXXBESA-N 1 1 298.430 3.486 20 10 CGCDMO Cc1c(C[N@@H+]2CC[C@@H](N(C)C3CC3)C2)c2ccccc2n1C ZINC001138259883 803885301 /nfs/dbraw/zinc/88/53/01/803885301.db2.gz POGQTDHXRMDHCD-MRXNPFEDSA-N 1 1 297.446 3.155 20 10 CGCDMO Cc1c(CN2CC[C@@H]([N@H+](C)C3CC3)C2)c2ccccc2n1C ZINC001138259883 803885306 /nfs/dbraw/zinc/88/53/06/803885306.db2.gz POGQTDHXRMDHCD-MRXNPFEDSA-N 1 1 297.446 3.155 20 10 CGCDMO Cc1c(CN2CC[C@@H]([N@@H+](C)C3CC3)C2)c2ccccc2n1C ZINC001138259883 803885311 /nfs/dbraw/zinc/88/53/11/803885311.db2.gz POGQTDHXRMDHCD-MRXNPFEDSA-N 1 1 297.446 3.155 20 10 CGCDMO Cc1c(C[N@H+]2CCO[C@H](C(C)C)C2)c2ccccc2n1C ZINC001138258060 803885444 /nfs/dbraw/zinc/88/54/44/803885444.db2.gz JSECERAKKOCUPP-SFHVURJKSA-N 1 1 286.419 3.344 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)c(OC)c1 ZINC001138386398 803912574 /nfs/dbraw/zinc/91/25/74/803912574.db2.gz LUBIZPCXGKAWSC-CJNGLKHVSA-N 1 1 294.414 3.331 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)c(OC)c1 ZINC001138386398 803912578 /nfs/dbraw/zinc/91/25/78/803912578.db2.gz LUBIZPCXGKAWSC-CJNGLKHVSA-N 1 1 294.414 3.331 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](F)C2)c(OC)c1 ZINC001138386542 803912906 /nfs/dbraw/zinc/91/29/06/803912906.db2.gz QNHSDLFMFPRCRC-AWEZNQCLSA-N 1 1 280.387 3.085 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](F)C2)c(OC)c1 ZINC001138386542 803912911 /nfs/dbraw/zinc/91/29/11/803912911.db2.gz QNHSDLFMFPRCRC-AWEZNQCLSA-N 1 1 280.387 3.085 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@@](C)(F)[C@@H](F)C2)ccc1N(C)C ZINC001139669617 804246233 /nfs/dbraw/zinc/24/62/33/804246233.db2.gz DLUNKFJSEUKREA-JKSUJKDBSA-N 1 1 282.378 3.333 20 10 CGCDMO C[C@]1(F)CCCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC001140058242 804364595 /nfs/dbraw/zinc/36/45/95/804364595.db2.gz WDRJVTGLWSZFAT-AWEZNQCLSA-N 1 1 255.308 3.245 20 10 CGCDMO C[N@H+](Cc1cnc(Cl)s1)Cc1cc(F)ccc1O ZINC001140057599 804364963 /nfs/dbraw/zinc/36/49/63/804364963.db2.gz HKZWJCFUCQWYSI-UHFFFAOYSA-N 1 1 286.759 3.273 20 10 CGCDMO C[N@@H+](Cc1cnc(Cl)s1)Cc1cc(F)ccc1O ZINC001140057599 804364969 /nfs/dbraw/zinc/36/49/69/804364969.db2.gz HKZWJCFUCQWYSI-UHFFFAOYSA-N 1 1 286.759 3.273 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001140060504 804365119 /nfs/dbraw/zinc/36/51/19/804365119.db2.gz ZAMWUFNJUQQCOI-MRXNPFEDSA-N 1 1 293.382 3.312 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCC[C@H](CF)C2)c1O ZINC001140182717 804397440 /nfs/dbraw/zinc/39/74/40/804397440.db2.gz XZSPRWZEVUSNCU-CYBMUJFWSA-N 1 1 251.345 3.191 20 10 CGCDMO CCCC[N@H+](CC(=O)OCC)Cc1ccc(Cl)cc1O ZINC001140464287 804441190 /nfs/dbraw/zinc/44/11/90/804441190.db2.gz JUTUBCKYUJZNLH-UHFFFAOYSA-N 1 1 299.798 3.211 20 10 CGCDMO CCCC[N@@H+](CC(=O)OCC)Cc1ccc(Cl)cc1O ZINC001140464287 804441192 /nfs/dbraw/zinc/44/11/92/804441192.db2.gz JUTUBCKYUJZNLH-UHFFFAOYSA-N 1 1 299.798 3.211 20 10 CGCDMO CC[N@H+](Cc1ccc(Cl)cc1O)C1CCOCC1 ZINC001140466939 804442562 /nfs/dbraw/zinc/44/25/62/804442562.db2.gz NACKYBMKWKAKIQ-UHFFFAOYSA-N 1 1 269.772 3.047 20 10 CGCDMO CC[N@@H+](Cc1ccc(Cl)cc1O)C1CCOCC1 ZINC001140466939 804442566 /nfs/dbraw/zinc/44/25/66/804442566.db2.gz NACKYBMKWKAKIQ-UHFFFAOYSA-N 1 1 269.772 3.047 20 10 CGCDMO CCCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140466478 804443472 /nfs/dbraw/zinc/44/34/72/804443472.db2.gz HBDCEZIVGDFZOR-CYBMUJFWSA-N 1 1 269.772 3.047 20 10 CGCDMO C[N@H+](Cc1c([O-])cc(F)cc1F)C[C@@H]1CC1(C)C ZINC001140584546 804468029 /nfs/dbraw/zinc/46/80/29/804468029.db2.gz WJPUXGXKQUWAHQ-VIFPVBQESA-N 1 1 255.308 3.148 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](Oc3cccnc3)C2)c1 ZINC001140621355 804476366 /nfs/dbraw/zinc/47/63/66/804476366.db2.gz YPDRHOVSKLDYIN-KRWDZBQOSA-N 1 1 298.386 3.139 20 10 CGCDMO Cc1ccc(O)c(C[NH+]2CC(OCc3ccccc3)C2)c1 ZINC001140621104 804476916 /nfs/dbraw/zinc/47/69/16/804476916.db2.gz OTXJWDPOKLQTQS-UHFFFAOYSA-N 1 1 283.371 3.102 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](c3ccccn3)C2)c1 ZINC001140621221 804477047 /nfs/dbraw/zinc/47/70/47/804477047.db2.gz RTNQKBSODPGGBT-HNNXBMFYSA-N 1 1 282.387 3.475 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c1O ZINC001140749467 804504621 /nfs/dbraw/zinc/50/46/21/804504621.db2.gz AZFIXTLZMKKHKM-ZIAGYGMSSA-N 1 1 275.392 3.418 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)c(O)c1 ZINC001140850656 804532942 /nfs/dbraw/zinc/53/29/42/804532942.db2.gz PNJKAMKWWNNBJN-DOMZBBRYSA-N 1 1 280.387 3.028 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2C)c(O)c1 ZINC001140851858 804533963 /nfs/dbraw/zinc/53/39/63/804533963.db2.gz RRCOCZQFJCHDPB-CYBMUJFWSA-N 1 1 262.397 3.223 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@]3(CCOC3)C2)c(Cl)c1 ZINC001140922396 804548546 /nfs/dbraw/zinc/54/85/46/804548546.db2.gz PUDVBHWETOEGLV-MRXNPFEDSA-N 1 1 294.826 3.018 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140921679 804549679 /nfs/dbraw/zinc/54/96/79/804549679.db2.gz MRINBMQBIYWGKI-CQSZACIVSA-N 1 1 282.815 3.017 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1Cl)C1CCOCC1 ZINC001140923847 804550760 /nfs/dbraw/zinc/55/07/60/804550760.db2.gz JJHLJIZYZQQDTE-UHFFFAOYSA-N 1 1 296.842 3.407 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@]3(CCO3)C2)c(Cl)c1 ZINC001140926047 804551021 /nfs/dbraw/zinc/55/10/21/804551021.db2.gz YGOBXGFANQRLCM-MRXNPFEDSA-N 1 1 294.826 3.161 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@@H]2CCCCO2)c(Cl)c1 ZINC001140924942 804551244 /nfs/dbraw/zinc/55/12/44/804551244.db2.gz XSOMCNNSROLSTI-HNNXBMFYSA-N 1 1 296.842 3.407 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@H](Oc3ncccc3C)C2)c(O)c1 ZINC001140953781 804558181 /nfs/dbraw/zinc/55/81/81/804558181.db2.gz GQWBKZWNPONVOU-INIZCTEOSA-N 1 1 298.386 3.057 20 10 CGCDMO Cc1ccc(C[N@H+]2CCc3c(F)cccc3C2)c(O)c1 ZINC001140957503 804558453 /nfs/dbraw/zinc/55/84/53/804558453.db2.gz BSIPRGGBSQYJRP-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO CN1CCOc2cc(C[N@H+]3CCc4ccccc4C3)ccc21 ZINC001141139024 804596713 /nfs/dbraw/zinc/59/67/13/804596713.db2.gz GOKHGTDUWYRQFI-UHFFFAOYSA-N 1 1 294.398 3.074 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141139860 804596989 /nfs/dbraw/zinc/59/69/89/804596989.db2.gz DCOILIIOXDKOQR-CQSZACIVSA-N 1 1 274.408 3.137 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCCN3C)[C@@H](C)C1 ZINC001141143544 804597296 /nfs/dbraw/zinc/59/72/96/804597296.db2.gz DAGVYEHAACNLDC-KGLIPLIRSA-N 1 1 274.408 3.136 20 10 CGCDMO CN1CCOc2cc(C[N@H+]3CCCC4(CCC4)C3)ccc21 ZINC001141146079 804598365 /nfs/dbraw/zinc/59/83/65/804598365.db2.gz JSJBCPPRCRWDMV-UHFFFAOYSA-N 1 1 286.419 3.281 20 10 CGCDMO CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(O)ccc1O ZINC001141161516 804601590 /nfs/dbraw/zinc/60/15/90/804601590.db2.gz SXFMPPPQKHVKAM-UHFFFAOYSA-N 1 1 275.323 3.259 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001142512597 804729130 /nfs/dbraw/zinc/72/91/30/804729130.db2.gz FORYDAIROJLQTP-AOOOYVTPSA-N 1 1 289.272 3.148 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001142512597 804729135 /nfs/dbraw/zinc/72/91/35/804729135.db2.gz FORYDAIROJLQTP-AOOOYVTPSA-N 1 1 289.272 3.148 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)CCCC1=O ZINC001143103962 804801248 /nfs/dbraw/zinc/80/12/48/804801248.db2.gz NVPHVAPDXRCPNR-ZDUSSCGKSA-N 1 1 289.419 3.491 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CCOCC23CCC3)c1O ZINC001143112802 804803972 /nfs/dbraw/zinc/80/39/72/804803972.db2.gz YYBUOUZVLGUMJD-UHFFFAOYSA-N 1 1 289.419 3.445 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CCOC3(CC3)C2)c1O ZINC001143117150 804805568 /nfs/dbraw/zinc/80/55/68/804805568.db2.gz VKIZOGAQVCKLAP-UHFFFAOYSA-N 1 1 275.392 3.055 20 10 CGCDMO COc1c(F)cc(F)cc1C[N@@H+](C)Cc1ccccc1O ZINC001143563087 804865223 /nfs/dbraw/zinc/86/52/23/804865223.db2.gz MJCVNLABPIYKFE-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO Cc1cc(F)cc(C[N@H+](C)Cc2ccccc2O)c1 ZINC001143619194 804879605 /nfs/dbraw/zinc/87/96/05/804879605.db2.gz LLMWFNXOFBKMPV-UHFFFAOYSA-N 1 1 259.324 3.472 20 10 CGCDMO C[N@@H+](Cc1[nH]nc2ccc(F)cc21)Cc1ccccc1O ZINC001144202751 804954574 /nfs/dbraw/zinc/95/45/74/804954574.db2.gz WRSJNQHXDVRAGJ-UHFFFAOYSA-N 1 1 285.322 3.040 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CCC[C@@H]2C2CCCCC2)c(O)c1 ZINC001144515329 804997786 /nfs/dbraw/zinc/99/77/86/804997786.db2.gz KGKMFNGPBKQZHO-OAHLLOKOSA-N 1 1 291.391 3.348 20 10 CGCDMO CC(C)(C)c1cc(O)c(C[N@H+]2CCC[C@H]2CO)cc1Cl ZINC001248879653 805029798 /nfs/dbraw/zinc/02/97/98/805029798.db2.gz CFSHTLXBQVSBTJ-LBPRGKRZSA-N 1 1 297.826 3.300 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(Cl)c(C(C)(C)C)cc2O)C[C@@H]1O ZINC001248881141 805032013 /nfs/dbraw/zinc/03/20/13/805032013.db2.gz RGVABSUWLPMRGD-BONVTDFDSA-N 1 1 297.826 3.156 20 10 CGCDMO COc1cc(C[N@@H+]2Cc3cccc(O)c3C2)ccc1F ZINC001262012382 807805299 /nfs/dbraw/zinc/80/52/99/807805299.db2.gz UOYVJGZDLZYTRF-UHFFFAOYSA-N 1 1 273.307 3.056 20 10 CGCDMO COc1cc(C[N@H+]2Cc3cccc(O)c3C2)ccc1F ZINC001262012382 807805308 /nfs/dbraw/zinc/80/53/08/807805308.db2.gz UOYVJGZDLZYTRF-UHFFFAOYSA-N 1 1 273.307 3.056 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)C[C@H](C2CC2)O1 ZINC001181373938 810049196 /nfs/dbraw/zinc/04/91/96/810049196.db2.gz UUGUGVHLVIILAC-MEBBXXQBSA-N 1 1 281.783 3.045 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2O)C[C@H](C2CC2)O1 ZINC001181373938 810049198 /nfs/dbraw/zinc/04/91/98/810049198.db2.gz UUGUGVHLVIILAC-MEBBXXQBSA-N 1 1 281.783 3.045 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC001183371799 810147267 /nfs/dbraw/zinc/14/72/67/810147267.db2.gz TXIRLVZIMVEPQY-NEPJUHHUSA-N 1 1 283.824 3.231 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@@H+]2CCn3cccc3C2)c1 ZINC001183741503 810159781 /nfs/dbraw/zinc/15/97/81/810159781.db2.gz UJAFWQMQIHXRCX-UHFFFAOYSA-N 1 1 270.376 3.333 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCn3cccc3C2)c1 ZINC001183741503 810159783 /nfs/dbraw/zinc/15/97/83/810159783.db2.gz UJAFWQMQIHXRCX-UHFFFAOYSA-N 1 1 270.376 3.333 20 10 CGCDMO CC(C)(C)[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)CCO1 ZINC001184374156 810196457 /nfs/dbraw/zinc/19/64/57/810196457.db2.gz KOCMGPDZGBJQOM-OAHLLOKOSA-N 1 1 299.361 3.307 20 10 CGCDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)CCO1 ZINC001184374156 810196462 /nfs/dbraw/zinc/19/64/62/810196462.db2.gz KOCMGPDZGBJQOM-OAHLLOKOSA-N 1 1 299.361 3.307 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1ccc3c(c1)CCC3)CC2 ZINC001203034944 812223187 /nfs/dbraw/zinc/22/31/87/812223187.db2.gz JXVVYPTVDDQRHP-UHFFFAOYSA-N 1 1 279.383 3.439 20 10 CGCDMO CCc1nc(C)c(C[N@H+](CC)Cc2ccccc2O)[nH]1 ZINC001203247186 812281266 /nfs/dbraw/zinc/28/12/66/812281266.db2.gz USQFMEHCLHNCKS-UHFFFAOYSA-N 1 1 273.380 3.008 20 10 CGCDMO Cc1cccc(CC[N@H+](C)Cc2ccccc2O)c1 ZINC001203556483 812390818 /nfs/dbraw/zinc/39/08/18/812390818.db2.gz QHBGBUAOMFMZKZ-UHFFFAOYSA-N 1 1 255.361 3.375 20 10 CGCDMO COc1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c(O)c1 ZINC001203621376 812409843 /nfs/dbraw/zinc/40/98/43/812409843.db2.gz BZSJGOAIUSFPEX-CHWSQXEVSA-N 1 1 261.365 3.023 20 10 CGCDMO C[C@]1(CO)CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC001203651829 812415416 /nfs/dbraw/zinc/41/54/16/812415416.db2.gz XOUGZUUUISRRJP-HNNXBMFYSA-N 1 1 283.799 3.030 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)CC[C@@]1(C)O ZINC001203651775 812415537 /nfs/dbraw/zinc/41/55/37/812415537.db2.gz UOYGQOCHHIBVRJ-IAQYHMDHSA-N 1 1 283.799 3.029 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001203664433 812423066 /nfs/dbraw/zinc/42/30/66/812423066.db2.gz FEIOKXILRQLAME-ZDUSSCGKSA-N 1 1 295.810 3.294 20 10 CGCDMO Oc1ccc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1O ZINC001203882746 812479716 /nfs/dbraw/zinc/47/97/16/812479716.db2.gz UFEBPNQCWJKLGV-CQSZACIVSA-N 1 1 287.334 3.226 20 10 CGCDMO COc1ccc(C[N@H+]2CCc3cccc(O)c3C2)cc1C ZINC001203899394 812486579 /nfs/dbraw/zinc/48/65/79/812486579.db2.gz SANFEEHCOBMIGE-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCCC(=O)[C@@H](C)C2)cc1 ZINC001203936913 812497124 /nfs/dbraw/zinc/49/71/24/812497124.db2.gz QSTWIRHQBKCPFW-HNNXBMFYSA-N 1 1 288.435 3.334 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](CCOC)C(C)C)cc1 ZINC001203939270 812497193 /nfs/dbraw/zinc/49/71/93/812497193.db2.gz OKIFKWBFDIOKIU-UHFFFAOYSA-N 1 1 278.440 3.390 20 10 CGCDMO CCN(CC)c1ccc(CN2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC001203946466 812498760 /nfs/dbraw/zinc/49/87/60/812498760.db2.gz SYUXMROYBNDCEC-MRXNPFEDSA-N 1 1 289.467 3.059 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2CCN(CC)[C@H](C)C2)cc1 ZINC001203946466 812498766 /nfs/dbraw/zinc/49/87/66/812498766.db2.gz SYUXMROYBNDCEC-MRXNPFEDSA-N 1 1 289.467 3.059 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCN(CC)[C@H](C)C2)cc1 ZINC001203946466 812498769 /nfs/dbraw/zinc/49/87/69/812498769.db2.gz SYUXMROYBNDCEC-MRXNPFEDSA-N 1 1 289.467 3.059 20 10 CGCDMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204232883 812579679 /nfs/dbraw/zinc/57/96/79/812579679.db2.gz LBLPEIWNCSEPJM-ZBFHGGJFSA-N 1 1 298.430 3.251 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](O)CC2)c2ccccc21 ZINC001204232766 812579769 /nfs/dbraw/zinc/57/97/69/812579769.db2.gz IXWKQUAGLVERQO-INIZCTEOSA-N 1 1 298.430 3.253 20 10 CGCDMO Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204274538 812592328 /nfs/dbraw/zinc/59/23/28/812592328.db2.gz DHYDBGXATPLTHW-MRXNPFEDSA-N 1 1 299.370 3.060 20 10 CGCDMO Oc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c(O)c1 ZINC001204277703 812593749 /nfs/dbraw/zinc/59/37/49/812593749.db2.gz IQJMXLAZWNAQOS-DOMZBBRYSA-N 1 1 261.365 3.252 20 10 CGCDMO Oc1ccc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c(O)c1 ZINC001204279427 812594234 /nfs/dbraw/zinc/59/42/34/812594234.db2.gz YSEBATNDBDGYMO-ZDUSSCGKSA-N 1 1 287.334 3.226 20 10 CGCDMO CC[N@@H+](Cc1ccc(C)cc1)Cc1ccc(O)cc1O ZINC001204277778 812595003 /nfs/dbraw/zinc/59/50/03/812595003.db2.gz LRGJGXPPUIOMHS-UHFFFAOYSA-N 1 1 271.360 3.428 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCCC1=O ZINC001204325650 812614469 /nfs/dbraw/zinc/61/44/69/812614469.db2.gz SRNARUGIZVTBBY-HNNXBMFYSA-N 1 1 286.419 3.088 20 10 CGCDMO COc1cc(C[N@@H+]2CC[C@@H]2c2ccccc2)cc(O)c1O ZINC001204346599 812618388 /nfs/dbraw/zinc/61/83/88/812618388.db2.gz VCZKKPPFBZNCLK-CQSZACIVSA-N 1 1 285.343 3.053 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@@H]2c2ccccc2)cc(O)c1O ZINC001204346599 812618391 /nfs/dbraw/zinc/61/83/91/812618391.db2.gz VCZKKPPFBZNCLK-CQSZACIVSA-N 1 1 285.343 3.053 20 10 CGCDMO Cc1ccc(F)c(Nc2cc[nH+]cc2C(F)(F)F)c1O ZINC001215735813 815568969 /nfs/dbraw/zinc/56/89/69/815568969.db2.gz GRYNAXPJGDYRGZ-UHFFFAOYSA-N 1 1 286.228 3.419 20 10 CGCDMO OCC[C@H]1CCCCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001205772599 813072557 /nfs/dbraw/zinc/07/25/57/813072557.db2.gz CIHTWYUNUOOWMM-CQSZACIVSA-N 1 1 283.799 3.173 20 10 CGCDMO C[C@H]1CC[C@@H](CN)[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001205831201 813102022 /nfs/dbraw/zinc/10/20/22/813102022.db2.gz WUMKLOWILQRCPT-ZFWWWQNUSA-N 1 1 290.451 3.249 20 10 CGCDMO C[C@H]1CC[C@@H](CN)[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001205831201 813102024 /nfs/dbraw/zinc/10/20/24/813102024.db2.gz WUMKLOWILQRCPT-ZFWWWQNUSA-N 1 1 290.451 3.249 20 10 CGCDMO C[C@@H]1CC[C@@H](CN)[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001205843077 813104452 /nfs/dbraw/zinc/10/44/52/813104452.db2.gz RDBRUNJARHXALO-DYVFJYSZSA-N 1 1 284.403 3.105 20 10 CGCDMO CS[C@H]1CC[N@@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001206014426 813166485 /nfs/dbraw/zinc/16/64/85/813166485.db2.gz FKSPBBHFDHOJAP-AWEZNQCLSA-N 1 1 265.422 3.453 20 10 CGCDMO COc1cccc(CC[N@H+]2CCc3cccc(O)c3C2)c1 ZINC001207432482 813564848 /nfs/dbraw/zinc/56/48/48/813564848.db2.gz DWNKABXAXFTDDK-UHFFFAOYSA-N 1 1 283.371 3.002 20 10 CGCDMO COCCCC[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001209218691 813971075 /nfs/dbraw/zinc/97/10/75/813971075.db2.gz VQCJWQGSHIOWCJ-UHFFFAOYSA-N 1 1 276.424 3.145 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCO[C@H](C)C2)cc1 ZINC001209516384 814071446 /nfs/dbraw/zinc/07/14/46/814071446.db2.gz FESURGKDXQRLCW-MRXNPFEDSA-N 1 1 284.403 3.315 20 10 CGCDMO CC(=O)[C@H]1CCCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC001231590516 818131963 /nfs/dbraw/zinc/13/19/63/818131963.db2.gz GARLVEXAQVQXOP-QGZVFWFLSA-N 1 1 283.371 3.489 20 10 CGCDMO Oc1cccc2c1C[N@H+](Cc1ccc(Cl)c(O)c1)CC2 ZINC001231736700 818164520 /nfs/dbraw/zinc/16/45/20/818164520.db2.gz JYJXVZIMJNFMCK-UHFFFAOYSA-N 1 1 289.762 3.310 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1ccc(Cl)c(O)c1)CC2 ZINC001231736700 818164522 /nfs/dbraw/zinc/16/45/22/818164522.db2.gz JYJXVZIMJNFMCK-UHFFFAOYSA-N 1 1 289.762 3.310 20 10 CGCDMO Cc1cc(C)c(C[N@@H+]2CCC(F)(F)[C@H](F)C2)c(O)c1 ZINC001231843267 818185706 /nfs/dbraw/zinc/18/57/06/818185706.db2.gz UDRLISNXUGHGOC-CYBMUJFWSA-N 1 1 273.298 3.188 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCC(F)(F)[C@H](F)C2)c(O)c1 ZINC001231843267 818185710 /nfs/dbraw/zinc/18/57/10/818185710.db2.gz UDRLISNXUGHGOC-CYBMUJFWSA-N 1 1 273.298 3.188 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCC[C@@H](CF)C2)c(O)c1 ZINC001231846400 818187118 /nfs/dbraw/zinc/18/71/18/818187118.db2.gz LDDLHLSGKJDFSJ-ZDUSSCGKSA-N 1 1 251.345 3.191 20 10 CGCDMO CC[N@@H+](Cc1cc(Cl)c(C)cc1O)C1CCN(C)CC1 ZINC001231869789 818193484 /nfs/dbraw/zinc/19/34/84/818193484.db2.gz WQJLMZFPLLNWAO-UHFFFAOYSA-N 1 1 296.842 3.270 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@](C)(O)CC2)cc1Cl ZINC001231869314 818193747 /nfs/dbraw/zinc/19/37/47/818193747.db2.gz QGFAPPQDSLFXJG-BLLLJJGKSA-N 1 1 297.826 3.337 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)CC[C@@H]1O ZINC001231879373 818199096 /nfs/dbraw/zinc/19/90/96/818199096.db2.gz CYPPANYXRFKGNU-GUYCJALGSA-N 1 1 285.387 3.138 20 10 CGCDMO C[N@@H+](Cc1ccnc(C(F)(F)F)c1)Cc1ccccc1O ZINC001232239981 818290019 /nfs/dbraw/zinc/29/00/19/818290019.db2.gz DOJPAXGYGRBYDF-UHFFFAOYSA-N 1 1 296.292 3.438 20 10 CGCDMO Oc1cc(O)c(C[N@@H+]2CCCC[C@H](F)C2)cc1Cl ZINC001232259866 818295511 /nfs/dbraw/zinc/29/55/11/818295511.db2.gz MBQBNEURJLTTSN-JTQLQIEISA-N 1 1 273.735 3.075 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CCCC[C@H](F)C2)cc1Cl ZINC001232259866 818295514 /nfs/dbraw/zinc/29/55/14/818295514.db2.gz MBQBNEURJLTTSN-JTQLQIEISA-N 1 1 273.735 3.075 20 10 CGCDMO C[C@@]1(F)CCCC[N@@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232258535 818295544 /nfs/dbraw/zinc/29/55/44/818295544.db2.gz AKSKFHNGNRZBLB-CQSZACIVSA-N 1 1 287.762 3.465 20 10 CGCDMO CC[C@@H]1CC[N@@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232271124 818299505 /nfs/dbraw/zinc/29/95/05/818299505.db2.gz NWCYQAIQAVFUOL-SNVBAGLBSA-N 1 1 269.772 3.286 20 10 CGCDMO COc1cc(O)c(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1Cl ZINC001232269589 818299956 /nfs/dbraw/zinc/29/99/56/818299956.db2.gz FXQZSQBRHHUPCV-PHIMTYICSA-N 1 1 281.783 3.142 20 10 CGCDMO CCc1csc(C[N@@H+](CC)Cc2ccccc2O)n1 ZINC001232474090 818362744 /nfs/dbraw/zinc/36/27/44/818362744.db2.gz NQTUONJGTCPNHC-UHFFFAOYSA-N 1 1 276.405 3.433 20 10 CGCDMO CCc1csc(C[N@H+](CC)Cc2ccccc2O)n1 ZINC001232474090 818362754 /nfs/dbraw/zinc/36/27/54/818362754.db2.gz NQTUONJGTCPNHC-UHFFFAOYSA-N 1 1 276.405 3.433 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1cc(F)ccc1N ZINC001232511377 818376559 /nfs/dbraw/zinc/37/65/59/818376559.db2.gz NUHLULXIIXXGGN-UHFFFAOYSA-N 1 1 274.339 3.136 20 10 CGCDMO C[C@@H]1CCCC[N@@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232833709 818451724 /nfs/dbraw/zinc/45/17/24/818451724.db2.gz CXOFTAYDOMVAKL-CYBMUJFWSA-N 1 1 262.397 3.080 20 10 CGCDMO C[N@@H+](Cc1cc(Br)co1)Cc1ccccc1O ZINC001232857869 818456062 /nfs/dbraw/zinc/45/60/62/818456062.db2.gz WLCUOGLMRJWZMG-UHFFFAOYSA-N 1 1 296.164 3.380 20 10 CGCDMO Cc1cc(O)cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC001232881744 818462790 /nfs/dbraw/zinc/46/27/90/818462790.db2.gz IKIRRNFMYAUXKY-UHFFFAOYSA-N 1 1 284.403 3.399 20 10 CGCDMO Cc1cc(Br)cc(C[N@H+]2CCC3(CC3)C2)c1O ZINC001233109440 818522955 /nfs/dbraw/zinc/52/29/55/818522955.db2.gz XGIMYFCVGLGDAS-UHFFFAOYSA-N 1 1 296.208 3.449 20 10 CGCDMO C[C@H]1CC(=O)CC[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233284198 818565499 /nfs/dbraw/zinc/56/54/99/818565499.db2.gz LYDSRYLUASIXJM-LBPRGKRZSA-N 1 1 275.392 3.243 20 10 CGCDMO C[C@H]1CC(=O)CC[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233284198 818565505 /nfs/dbraw/zinc/56/55/05/818565505.db2.gz LYDSRYLUASIXJM-LBPRGKRZSA-N 1 1 275.392 3.243 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[NH+]2CC3(C2)CCCO3)c1 ZINC001233284424 818567813 /nfs/dbraw/zinc/56/78/13/818567813.db2.gz UDIWUCTZIQXNJH-UHFFFAOYSA-N 1 1 275.392 3.055 20 10 CGCDMO CC[N@@H+](Cc1cc(C(C)(C)C)ccc1O)CC(C)(C)O ZINC001233286670 818567974 /nfs/dbraw/zinc/56/79/74/818567974.db2.gz FCOXPEBDMIFXEA-UHFFFAOYSA-N 1 1 279.424 3.283 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001233332489 818585724 /nfs/dbraw/zinc/58/57/24/818585724.db2.gz MRRVLFZSCLZFER-GHMZBOCLSA-N 1 1 267.319 3.292 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001233332489 818585730 /nfs/dbraw/zinc/58/57/30/818585730.db2.gz MRRVLFZSCLZFER-GHMZBOCLSA-N 1 1 267.319 3.292 20 10 CGCDMO [O-]c1ccc(F)c(F)c1CN1CCc2c(F)cccc2C1 ZINC001233335982 818588392 /nfs/dbraw/zinc/58/83/92/818588392.db2.gz TXYYOCFMDUVODC-UHFFFAOYSA-N 1 1 293.288 3.368 20 10 CGCDMO Oc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H](F)C1 ZINC001233454446 818623690 /nfs/dbraw/zinc/62/36/90/818623690.db2.gz VJMVTALXIODWDE-NSHDSACASA-N 1 1 277.261 3.345 20 10 CGCDMO Oc1c(C[N@H+]2C[C@@H]3COC[C@@H]3C2)cccc1-c1ccccc1 ZINC001235003290 818977041 /nfs/dbraw/zinc/97/70/41/818977041.db2.gz VJOIGDJDANZHOH-CALCHBBNSA-N 1 1 295.382 3.137 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2O)CCCO1 ZINC001235674433 819134677 /nfs/dbraw/zinc/13/46/77/819134677.db2.gz FZEAUKMZDATREK-ZDUSSCGKSA-N 1 1 277.408 3.301 20 10 CGCDMO C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2O)CCC1=O ZINC001235673951 819135469 /nfs/dbraw/zinc/13/54/69/819135469.db2.gz BWWKDMRWWJZOMP-LBPRGKRZSA-N 1 1 275.392 3.101 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2O)CCC1=O ZINC001235673951 819135473 /nfs/dbraw/zinc/13/54/73/819135473.db2.gz BWWKDMRWWJZOMP-LBPRGKRZSA-N 1 1 275.392 3.101 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2O)CCCO1 ZINC001235674431 819135709 /nfs/dbraw/zinc/13/57/09/819135709.db2.gz FZEAUKMZDATREK-CYBMUJFWSA-N 1 1 277.408 3.301 20 10 CGCDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235677140 819136756 /nfs/dbraw/zinc/13/67/56/819136756.db2.gz BRTRPYNPQWYBNE-WFASDCNBSA-N 1 1 277.408 3.035 20 10 CGCDMO C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235676046 819137195 /nfs/dbraw/zinc/13/71/95/819137195.db2.gz OEWWALBZVOJAFP-ZIAGYGMSSA-N 1 1 291.435 3.283 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2O)CCC[C@H]1O ZINC001235676365 819137236 /nfs/dbraw/zinc/13/72/36/819137236.db2.gz RDUKAZWFBMGOSM-XJKSGUPXSA-N 1 1 291.435 3.283 20 10 CGCDMO CN1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)CC1(C)C ZINC001235678815 819138748 /nfs/dbraw/zinc/13/87/48/819138748.db2.gz NHUNQALAIKUZRZ-UHFFFAOYSA-N 1 1 290.451 3.216 20 10 CGCDMO C[N@@H+]1CCN(Cc2ccc(C(C)(C)C)cc2O)CC1(C)C ZINC001235678815 819138752 /nfs/dbraw/zinc/13/87/52/819138752.db2.gz NHUNQALAIKUZRZ-UHFFFAOYSA-N 1 1 290.451 3.216 20 10 CGCDMO C[N@H+]1CCN(Cc2ccc(C(C)(C)C)cc2O)CC1(C)C ZINC001235678815 819138756 /nfs/dbraw/zinc/13/87/56/819138756.db2.gz NHUNQALAIKUZRZ-UHFFFAOYSA-N 1 1 290.451 3.216 20 10 CGCDMO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c(O)c1 ZINC001235678692 819138914 /nfs/dbraw/zinc/13/89/14/819138914.db2.gz LCMVECMMKWJMHQ-MRXNPFEDSA-N 1 1 291.435 3.425 20 10 CGCDMO CCCOC1C[NH+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235686242 819142798 /nfs/dbraw/zinc/14/27/98/819142798.db2.gz ZKHYXMPMLXBJAG-UHFFFAOYSA-N 1 1 277.408 3.301 20 10 CGCDMO CN(Cc1cccc(C(C)(C)C)c1O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219648 819386940 /nfs/dbraw/zinc/38/69/40/819386940.db2.gz XCVBUINXDAVXFY-JKSUJKDBSA-N 1 1 290.451 3.391 20 10 CGCDMO Nc1ccc2c(c1)C[N@H+](Cc1c(O)cccc1Cl)CC2 ZINC001236232254 819393466 /nfs/dbraw/zinc/39/34/66/819393466.db2.gz NAMBBPZMDQPGEH-UHFFFAOYSA-N 1 1 288.778 3.186 20 10 CGCDMO CCc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)c(O)c1 ZINC001236788677 819595309 /nfs/dbraw/zinc/59/53/09/819595309.db2.gz MYICDJAMJWFHCW-HFTRVMKXSA-N 1 1 289.419 3.202 20 10 CGCDMO CCc1ccc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c(O)c1 ZINC001236789638 819595504 /nfs/dbraw/zinc/59/55/04/819595504.db2.gz CODUHLAXWHIXRA-UHFFFAOYSA-N 1 1 299.370 3.315 20 10 CGCDMO CCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c(O)c1 ZINC001236786837 819595861 /nfs/dbraw/zinc/59/58/61/819595861.db2.gz QVQSFATWFOOBHX-OKILXGFUSA-N 1 1 281.346 3.432 20 10 CGCDMO CCc1ccc(C[NH+]2CC(Oc3ccccc3)C2)c(O)c1 ZINC001236795173 819598059 /nfs/dbraw/zinc/59/80/59/819598059.db2.gz RIZQMHJSCIMQFW-UHFFFAOYSA-N 1 1 283.371 3.218 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC(C)(C)C2)c(Cl)c1 ZINC001236797728 819599135 /nfs/dbraw/zinc/59/91/35/819599135.db2.gz AKDHOOYKPNOHLE-UHFFFAOYSA-N 1 1 269.772 3.286 20 10 CGCDMO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(Cl)c(Cl)cc1O ZINC001236798112 819599674 /nfs/dbraw/zinc/59/96/74/819599674.db2.gz GSPICCIJOZJITJ-WPRPVWTQSA-N 1 1 290.190 3.044 20 10 CGCDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cc(Cl)c(Cl)cc1O ZINC001236798112 819599677 /nfs/dbraw/zinc/59/96/77/819599677.db2.gz GSPICCIJOZJITJ-WPRPVWTQSA-N 1 1 290.190 3.044 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](OC(C)C)C2)c(Cl)c1 ZINC001236805456 819601192 /nfs/dbraw/zinc/60/11/92/819601192.db2.gz GVTMUKSQZHCZRE-LLVKDONJSA-N 1 1 299.798 3.054 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)CC(C)C)c(Cl)c1 ZINC001236804407 819601391 /nfs/dbraw/zinc/60/13/91/819601391.db2.gz SDPKTKKWLRZYFG-UHFFFAOYSA-N 1 1 257.761 3.142 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC[C@@](C)(F)C2)c(O)c1 ZINC001236806900 819601947 /nfs/dbraw/zinc/60/19/47/819601947.db2.gz CGNUJHCEYZACOF-OAHLLOKOSA-N 1 1 267.344 3.033 20 10 CGCDMO COc1ccc(C[NH+]2C3CCC2CC3)c(O)c1Cl ZINC001236811180 819603856 /nfs/dbraw/zinc/60/38/56/819603856.db2.gz HRGUGZRAGCJLEB-UHFFFAOYSA-N 1 1 267.756 3.181 20 10 CGCDMO C[C@H]1COCC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236826682 819609265 /nfs/dbraw/zinc/60/92/65/819609265.db2.gz LSFNWJOBEUNFNQ-CYBMUJFWSA-N 1 1 271.360 3.014 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001236830421 819611882 /nfs/dbraw/zinc/61/18/82/819611882.db2.gz AFWOGJWZQSMRLU-BPUTZDHNSA-N 1 1 271.335 3.478 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CC[C@H](C)[C@@H](O)CC2)c(O)c1 ZINC001237044810 819649746 /nfs/dbraw/zinc/64/97/46/819649746.db2.gz DSMJAPIKXUXXRC-BBRMVZONSA-N 1 1 277.408 3.108 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCCO[C@@H](C)C2)c(O)c1 ZINC001237046637 819650377 /nfs/dbraw/zinc/65/03/77/819650377.db2.gz UKLNMDMMVLOYJY-ZDUSSCGKSA-N 1 1 263.381 3.126 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCCC(=O)CC2)c(O)c1 ZINC001237052248 819652317 /nfs/dbraw/zinc/65/23/17/819652317.db2.gz SHTZJPOMKGKHHM-UHFFFAOYSA-N 1 1 261.365 3.071 20 10 CGCDMO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1c(O)ccc(Cl)c1Cl ZINC001237084823 819663446 /nfs/dbraw/zinc/66/34/46/819663446.db2.gz OAJHCQQAZIRYRA-IUCAKERBSA-N 1 1 290.190 3.044 20 10 CGCDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1c(O)ccc(Cl)c1Cl ZINC001237084823 819663450 /nfs/dbraw/zinc/66/34/50/819663450.db2.gz OAJHCQQAZIRYRA-IUCAKERBSA-N 1 1 290.190 3.044 20 10 CGCDMO C[C@@]1(CF)CC[N@@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237121832 819674127 /nfs/dbraw/zinc/67/41/27/819674127.db2.gz PTSNCUIQFRXJTM-ZDUSSCGKSA-N 1 1 275.726 3.366 20 10 CGCDMO Oc1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001237142280 819676215 /nfs/dbraw/zinc/67/62/15/819676215.db2.gz GJKFHHHLTKMFJK-SKDRFNHKSA-N 1 1 271.282 3.395 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+](C)Cc1ccc(F)cc1 ZINC001237483999 819762342 /nfs/dbraw/zinc/76/23/42/819762342.db2.gz XWQULHDHHNAANU-UHFFFAOYSA-N 1 1 259.324 3.472 20 10 CGCDMO Cc1cccc(O)c1C[N@H+](C(C)C)C1CCOCC1 ZINC001237496168 819763469 /nfs/dbraw/zinc/76/34/69/819763469.db2.gz WQYIRJAHXWVLRV-UHFFFAOYSA-N 1 1 263.381 3.090 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001237490211 819764688 /nfs/dbraw/zinc/76/46/88/819764688.db2.gz SALLLSOCUJPXAW-INIZCTEOSA-N 1 1 298.386 3.139 20 10 CGCDMO Oc1ccc(-c2ccc(F)cc2)cc1C[NH+]1CC2(CCO2)C1 ZINC001237645739 819797594 /nfs/dbraw/zinc/79/75/94/819797594.db2.gz JWBHJRDKVNZWGY-UHFFFAOYSA-N 1 1 299.345 3.173 20 10 CGCDMO COc1cc(C[N@@H+](C)Cc2ccccc2)c(O)c(OC)c1 ZINC001237675341 819803430 /nfs/dbraw/zinc/80/34/30/819803430.db2.gz WJTXJCUBVGITDX-UHFFFAOYSA-N 1 1 287.359 3.041 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@@](C)(F)CC2)c(O)c(OC)c1 ZINC001237675595 819803852 /nfs/dbraw/zinc/80/38/52/819803852.db2.gz YFEAPHLJVHINGN-MRXNPFEDSA-N 1 1 297.370 3.124 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCc3cccnc3C2)c1O ZINC001237686150 819805521 /nfs/dbraw/zinc/80/55/21/819805521.db2.gz HWVLKAATXYWBAX-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCc3cccnc3C2)c1O ZINC001237686150 819805526 /nfs/dbraw/zinc/80/55/26/819805526.db2.gz HWVLKAATXYWBAX-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO CCC[N@H+](Cc1cc(OC)cc(OC)c1O)CC(C)C ZINC001237681877 819805866 /nfs/dbraw/zinc/80/58/66/819805866.db2.gz UIQCHMOSEASPAA-UHFFFAOYSA-N 1 1 281.396 3.277 20 10 CGCDMO C[N@@H+](Cc1cc(F)c(Cl)cc1O)C[C@@H]1CCCCO1 ZINC001237937641 819888755 /nfs/dbraw/zinc/88/87/55/819888755.db2.gz SMWRZTKSRRBWNF-NSHDSACASA-N 1 1 287.762 3.186 20 10 CGCDMO C[N@H+](Cc1cc(F)c(Cl)cc1O)C[C@@H]1CCCCO1 ZINC001237937641 819888768 /nfs/dbraw/zinc/88/87/68/819888768.db2.gz SMWRZTKSRRBWNF-NSHDSACASA-N 1 1 287.762 3.186 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001237948676 819890912 /nfs/dbraw/zinc/89/09/12/819890912.db2.gz GJRJEVWNQVEQTD-ARENWVFISA-N 1 1 273.710 3.117 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001237948676 819890904 /nfs/dbraw/zinc/89/09/04/819890904.db2.gz GJRJEVWNQVEQTD-ARENWVFISA-N 1 1 273.710 3.117 20 10 CGCDMO Cc1cc(F)cc(C[N@@H+]2CCn3cccc3[C@H]2C)c1O ZINC001238071538 819924974 /nfs/dbraw/zinc/92/49/74/819924974.db2.gz YWKLFGBVCXTZNP-GFCCVEGCSA-N 1 1 274.339 3.218 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CCn3cccc3[C@H]2C)c1O ZINC001238071538 819924977 /nfs/dbraw/zinc/92/49/77/819924977.db2.gz YWKLFGBVCXTZNP-GFCCVEGCSA-N 1 1 274.339 3.218 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1cccc2cncn21 ZINC001238110502 819935946 /nfs/dbraw/zinc/93/59/46/819935946.db2.gz OLSOEJKWNYKAPK-UHFFFAOYSA-N 1 1 281.359 3.062 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)Cc1cccc2cncn21 ZINC001238110502 819935948 /nfs/dbraw/zinc/93/59/48/819935948.db2.gz OLSOEJKWNYKAPK-UHFFFAOYSA-N 1 1 281.359 3.062 20 10 CGCDMO Cc1ncncc1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001238163053 819945399 /nfs/dbraw/zinc/94/53/99/819945399.db2.gz CBHQLUWDLIBHKE-UHFFFAOYSA-N 1 1 296.418 3.017 20 10 CGCDMO Cn1ccc2c1cc[nH+]c2-c1cccc2cnn(C)c21 ZINC001241455058 821852905 /nfs/dbraw/zinc/85/29/05/821852905.db2.gz YGIJWRJNNQKPKX-UHFFFAOYSA-N 1 1 262.316 3.127 20 10 CGCDMO Cc1csc(C[C@H]2CC[N@@H+](Cc3ccc(N)cc3)C2)n1 ZINC001356083578 937152870 /nfs/dbraw/zinc/15/28/70/937152870.db2.gz TVHPGDIJEPXXRA-CQSZACIVSA-N 1 1 287.432 3.098 20 10 CGCDMO CC[C@@H](C)[N@H+](C)CCNCc1ccc(N(CC)CC)cc1 ZINC000217381305 928155913 /nfs/dbraw/zinc/15/59/13/928155913.db2.gz DGMPULXSOUIKKB-MRXNPFEDSA-N 1 1 291.483 3.353 20 10 CGCDMO CC[C@@H](C)[N@@H+](C)CCNCc1ccc(N(CC)CC)cc1 ZINC000217381305 928155922 /nfs/dbraw/zinc/15/59/22/928155922.db2.gz DGMPULXSOUIKKB-MRXNPFEDSA-N 1 1 291.483 3.353 20 10 CGCDMO CCO[C@@H]1CCC[N@@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140179128 931956970 /nfs/dbraw/zinc/95/69/70/931956970.db2.gz HGEHSJMNGORDLC-CQSZACIVSA-N 1 1 263.381 3.010 20 10 CGCDMO CCCC[N@H+](C)CCNC/C=C\c1ccc(N(C)C)cc1 ZINC001461180052 937568107 /nfs/dbraw/zinc/56/81/07/937568107.db2.gz PMRZFLWIPNFSLA-FPLPWBNLSA-N 1 1 289.467 3.087 20 10 CGCDMO CCCC[N@@H+](C)CCNC/C=C\c1ccc(N(C)C)cc1 ZINC001461180052 937568109 /nfs/dbraw/zinc/56/81/09/937568109.db2.gz PMRZFLWIPNFSLA-FPLPWBNLSA-N 1 1 289.467 3.087 20 10 CGCDMO COc1ccc(F)cc1C[NH2+]Cc1cc(F)cc(F)c1O ZINC001461446137 937581781 /nfs/dbraw/zinc/58/17/81/937581781.db2.gz AQDMGKJGPRFIPC-UHFFFAOYSA-N 1 1 297.276 3.108 20 10 CGCDMO CC[C@@]1(C)CCC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC001461875162 937602573 /nfs/dbraw/zinc/60/25/73/937602573.db2.gz ICXJLQHIFWYWBP-KRWDZBQOSA-N 1 1 293.407 3.422 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)C[C@](C)(OC)C1CC1 ZINC001461956652 937609031 /nfs/dbraw/zinc/60/90/31/937609031.db2.gz HCHCNCKJTJYUES-KRWDZBQOSA-N 1 1 277.408 3.419 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC001308600175 933140102 /nfs/dbraw/zinc/14/01/02/933140102.db2.gz XWGCIPHOYLWPIB-CYBMUJFWSA-N 1 1 295.810 3.294 20 10 CGCDMO CC[C@@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)C[C@H](CC)O1 ZINC001308827326 933185711 /nfs/dbraw/zinc/18/57/11/933185711.db2.gz ZMPIDPNLVPURGM-OKILXGFUSA-N 1 1 293.407 3.099 20 10 CGCDMO CC1(C)CO[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC001308929387 933205779 /nfs/dbraw/zinc/20/57/79/933205779.db2.gz ZDJXIAKDOLGPNN-JTQLQIEISA-N 1 1 287.762 3.089 20 10 CGCDMO C[C@]12C[N@H+](Cc3cc(F)c(F)cc3O)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001308960757 933213106 /nfs/dbraw/zinc/21/31/06/933213106.db2.gz MCDKGXBFYKBCLF-YRZLHWLASA-N 1 1 291.341 3.314 20 10 CGCDMO C[C@]12C[N@@H+](Cc3cc(F)c(F)cc3O)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001308960757 933213113 /nfs/dbraw/zinc/21/31/13/933213113.db2.gz MCDKGXBFYKBCLF-YRZLHWLASA-N 1 1 291.341 3.314 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H]1F ZINC001319908871 933956555 /nfs/dbraw/zinc/95/65/55/933956555.db2.gz YRHDNPAEFMPYDI-YOEHRIQHSA-N 1 1 276.399 3.467 20 10 CGCDMO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC001324514629 934517920 /nfs/dbraw/zinc/51/79/20/934517920.db2.gz UYFLJFRWXOREOA-HOTGVXAUSA-N 1 1 290.451 3.392 20 10 CGCDMO CCC1CCC([N@@H+](CCO)Cc2ccc(N)cc2)CC1 ZINC001334774173 936112762 /nfs/dbraw/zinc/11/27/62/936112762.db2.gz FPUNDJPSHQVWFO-UHFFFAOYSA-N 1 1 276.424 3.032 20 10 CGCDMO Cc1cc(C[C@H](C)[NH2+]Cc2c(C)c3ccccc3n2C)n[nH]1 ZINC001474069359 937838736 /nfs/dbraw/zinc/83/87/36/937838736.db2.gz SYTNPVFFPHUHNB-LBPRGKRZSA-N 1 1 296.418 3.239 20 10 CGCDMO CCC[N@H+](CCCN(C)C)Cc1ccc(N(C)C)cc1C ZINC001474504011 937863793 /nfs/dbraw/zinc/86/37/93/937863793.db2.gz YQBFMKKQEFNHAS-UHFFFAOYSA-N 1 1 291.483 3.225 20 10 CGCDMO CCC[N@@H+](CCCN(C)C)Cc1ccc(N(C)C)cc1C ZINC001474504011 937863795 /nfs/dbraw/zinc/86/37/95/937863795.db2.gz YQBFMKKQEFNHAS-UHFFFAOYSA-N 1 1 291.483 3.225 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C(=O)OC)[C@@H](C)CC ZINC001559570940 938229907 /nfs/dbraw/zinc/22/99/07/938229907.db2.gz HGEINEUCSMUKGI-BBRMVZONSA-N 1 1 293.407 3.192 20 10 CGCDMO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001560065252 938243255 /nfs/dbraw/zinc/24/32/55/938243255.db2.gz INTMISGCWUKFBJ-GDBMZVCRSA-N 1 1 276.424 3.060 20 10 CGCDMO C[N@@H+](Cc1cc(F)c(F)cc1O)C[C@H]1CC=CCC1 ZINC001560705711 938271297 /nfs/dbraw/zinc/27/12/97/938271297.db2.gz PPWZHYUZTIANGS-NSHDSACASA-N 1 1 267.319 3.459 20 10 CGCDMO C[N@H+](Cc1cc(F)c(F)cc1O)C[C@H]1CC=CCC1 ZINC001560705711 938271298 /nfs/dbraw/zinc/27/12/98/938271298.db2.gz PPWZHYUZTIANGS-NSHDSACASA-N 1 1 267.319 3.459 20 10 CGCDMO CSC[C@H]1CCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000135471530 371430885 /nfs/dbraw/zinc/43/08/85/371430885.db2.gz SODSWDHEKVXGFR-CYBMUJFWSA-N 1 1 297.395 3.061 20 10 CGCDMO CC(C)SCC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000287204066 371620722 /nfs/dbraw/zinc/62/07/22/371620722.db2.gz WLHKRRJTVYNUNE-JTQLQIEISA-N 1 1 257.374 3.324 20 10 CGCDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1cc(F)ccc1O ZINC000289268544 371752689 /nfs/dbraw/zinc/75/26/89/371752689.db2.gz GCNWZQGSXMOSSX-SWLSCSKDSA-N 1 1 281.371 3.047 20 10 CGCDMO CC1(C)C[N@@H+](Cc2ccccc2O)[C@H]1c1ccncc1 ZINC000293970637 372541333 /nfs/dbraw/zinc/54/13/33/372541333.db2.gz QOPNTDLXYQHIJN-INIZCTEOSA-N 1 1 268.360 3.370 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)cc1C ZINC000293986001 372545949 /nfs/dbraw/zinc/54/59/49/372545949.db2.gz LIPQXFNDFCCRHO-SFHVURJKSA-N 1 1 291.435 3.240 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)CC(C)(C)CO ZINC000294686045 372668616 /nfs/dbraw/zinc/66/86/16/372668616.db2.gz BZKODILLZFLCTE-UHFFFAOYSA-N 1 1 290.451 3.127 20 10 CGCDMO COCCc1cc[nH+]c(N[C@H]2CCc3cccc(O)c32)c1 ZINC000297340820 373269159 /nfs/dbraw/zinc/26/91/59/373269159.db2.gz OMNNBCBRWYXKEG-AWEZNQCLSA-N 1 1 284.359 3.076 20 10 CGCDMO Cc1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)on1 ZINC000298728901 373393097 /nfs/dbraw/zinc/39/30/97/373393097.db2.gz RDIUCTXRKDITRD-UHFFFAOYSA-N 1 1 285.391 3.214 20 10 CGCDMO Cc1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)on1 ZINC000298728901 373393103 /nfs/dbraw/zinc/39/31/03/373393103.db2.gz RDIUCTXRKDITRD-UHFFFAOYSA-N 1 1 285.391 3.214 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)C[C@H](C)c2nccs2)c1 ZINC000183254776 374393914 /nfs/dbraw/zinc/39/39/14/374393914.db2.gz OXCTUGRVYRXDPK-NSHDSACASA-N 1 1 292.404 3.093 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@H](C)c2cccnc2)c1 ZINC000183727120 374446033 /nfs/dbraw/zinc/44/60/33/374446033.db2.gz QOSZQZZFRIHYJT-CYBMUJFWSA-N 1 1 286.375 3.379 20 10 CGCDMO CCCOc1ccc(C[N@@H+](C)Cc2ccncc2)c(O)c1 ZINC000183747806 374450831 /nfs/dbraw/zinc/45/08/31/374450831.db2.gz DXJZMPASNRPBNQ-UHFFFAOYSA-N 1 1 286.375 3.208 20 10 CGCDMO CCC[N@@H+](CCO[C@H]1CCCCO1)Cc1ccccc1O ZINC000193060699 375821005 /nfs/dbraw/zinc/82/10/05/375821005.db2.gz MMPOXGAJWQYYPQ-KRWDZBQOSA-N 1 1 293.407 3.147 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000271361001 378489417 /nfs/dbraw/zinc/48/94/17/378489417.db2.gz NFYXPLLMCGDSOJ-OIISXLGYSA-N 1 1 289.419 3.418 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2cc(OC)ccc2O)c1 ZINC000271719333 378501109 /nfs/dbraw/zinc/50/11/09/378501109.db2.gz CWELKPJEODKJMU-UHFFFAOYSA-N 1 1 287.359 3.041 20 10 CGCDMO Cc1cccc(C[N@@H+](C)C[C@H]2OCCc3ccccc32)c1O ZINC000271723831 378502179 /nfs/dbraw/zinc/50/21/79/378502179.db2.gz KVBULLVALKGQST-GOSISDBHSA-N 1 1 297.398 3.446 20 10 CGCDMO CO[C@H](C)c1nc(C[NH2+]Cc2cccc(C)c2O)cs1 ZINC000271797174 378504660 /nfs/dbraw/zinc/50/46/60/378504660.db2.gz IFFKUNBVTCJYEZ-LLVKDONJSA-N 1 1 292.404 3.154 20 10 CGCDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000272477519 378646377 /nfs/dbraw/zinc/64/63/77/378646377.db2.gz BNMMFUOCVGFBRF-WMLDXEAASA-N 1 1 297.398 3.262 20 10 CGCDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000272477512 378646513 /nfs/dbraw/zinc/64/65/13/378646513.db2.gz BNMMFUOCVGFBRF-PBHICJAKSA-N 1 1 297.398 3.262 20 10 CGCDMO C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc2ccccc2c1[O-] ZINC000273534388 378752961 /nfs/dbraw/zinc/75/29/61/378752961.db2.gz WZCXULGNYIILBD-CQSZACIVSA-N 1 1 296.414 3.458 20 10 CGCDMO C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc2ccccc2c1[O-] ZINC000273534388 378752967 /nfs/dbraw/zinc/75/29/67/378752967.db2.gz WZCXULGNYIILBD-CQSZACIVSA-N 1 1 296.414 3.458 20 10 CGCDMO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)c1 ZINC000375014553 379484149 /nfs/dbraw/zinc/48/41/49/379484149.db2.gz AXDSCDHVBLFURU-OAHLLOKOSA-N 1 1 288.347 3.034 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2cc(C)on2)c1 ZINC000375014553 379484153 /nfs/dbraw/zinc/48/41/53/379484153.db2.gz AXDSCDHVBLFURU-OAHLLOKOSA-N 1 1 288.347 3.034 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CCCSC1)c1ccc(F)cc1O ZINC000286141261 380165217 /nfs/dbraw/zinc/16/52/17/380165217.db2.gz OYSCGIQKCIGEQP-AAEUAGOBSA-N 1 1 269.385 3.468 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(F)cc1O ZINC000286028044 380159093 /nfs/dbraw/zinc/15/90/93/380159093.db2.gz KBJWJJHGQXMDHN-UGFHNGPFSA-N 1 1 281.371 3.123 20 10 CGCDMO CC[C@@H]([NH2+][C@H]1CCCOCC1)c1ccc(F)cc1O ZINC000286028750 380159278 /nfs/dbraw/zinc/15/92/78/380159278.db2.gz JAMYRQGJWGHUIN-GXTWGEPZSA-N 1 1 267.344 3.141 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000365624086 382290790 /nfs/dbraw/zinc/29/07/90/382290790.db2.gz SITTXTURUONFQG-IRXDYDNUSA-N 1 1 287.403 3.234 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)cc1 ZINC000368105564 382364198 /nfs/dbraw/zinc/36/41/98/382364198.db2.gz UDYAHSXMSPDCHZ-UKRRQHHQSA-N 1 1 298.434 3.074 20 10 CGCDMO CCOCCC[N@@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000741775697 572521786 /nfs/dbraw/zinc/52/17/86/572521786.db2.gz XNQXSTJNEGRCBI-UHFFFAOYSA-N 1 1 278.440 3.391 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000093768563 392239379 /nfs/dbraw/zinc/23/93/79/392239379.db2.gz MJCDMHCWNNPUDU-MRXNPFEDSA-N 1 1 289.400 3.336 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC[C@H]2CSC)c1O ZINC000093761031 392239556 /nfs/dbraw/zinc/23/95/56/392239556.db2.gz WFQYUMHWBVOWCZ-ZDUSSCGKSA-N 1 1 281.421 3.118 20 10 CGCDMO CO[C@@H](C)C[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000285034224 392317611 /nfs/dbraw/zinc/31/76/11/392317611.db2.gz GILBOHNXTAJGTH-LBPRGKRZSA-N 1 1 259.349 3.012 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccc(F)cc1O ZINC000286215117 392378699 /nfs/dbraw/zinc/37/86/99/392378699.db2.gz SETRQCVQLRCDLV-IAQYHMDHSA-N 1 1 281.371 3.387 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)cc1C ZINC000162721380 392599491 /nfs/dbraw/zinc/59/94/91/392599491.db2.gz NGFBPWGOBILVDR-MRXNPFEDSA-N 1 1 299.418 3.252 20 10 CGCDMO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000179584232 392703533 /nfs/dbraw/zinc/70/35/33/392703533.db2.gz QZQVRTNUCSUNSK-INIZCTEOSA-N 1 1 270.376 3.458 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(F)cc1O ZINC000286265254 397671464 /nfs/dbraw/zinc/67/14/64/397671464.db2.gz VCJFDSSZVWWRJD-DZGCQCFKSA-N 1 1 295.379 3.367 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)Cc1cc(C)[nH]n1)c1ccccc1O ZINC000156770752 261131280 /nfs/dbraw/zinc/13/12/80/261131280.db2.gz RRIJQTZFEOSKKT-NHYWBVRUSA-N 1 1 273.380 3.096 20 10 CGCDMO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cccc(F)c1O ZINC000289756043 263111844 /nfs/dbraw/zinc/11/18/44/263111844.db2.gz QWBQZHVEABDHLM-OCCSQVGLSA-N 1 1 281.371 3.047 20 10 CGCDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cccc(F)c1O ZINC000289756043 263111845 /nfs/dbraw/zinc/11/18/45/263111845.db2.gz QWBQZHVEABDHLM-OCCSQVGLSA-N 1 1 281.371 3.047 20 10 CGCDMO CCC[N@@H+](Cc1c(C)noc1C)Cc1ccccc1O ZINC000299569329 263247322 /nfs/dbraw/zinc/24/73/22/263247322.db2.gz BCPRVWXHFYHFIN-UHFFFAOYSA-N 1 1 274.364 3.409 20 10 CGCDMO CC[C@H]([NH2+]Cc1cccc(CO)c1)c1ccc(F)cc1O ZINC000285511907 328247804 /nfs/dbraw/zinc/24/78/04/328247804.db2.gz ARYBRQIMLVIVSR-INIZCTEOSA-N 1 1 289.350 3.265 20 10 CGCDMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000360042987 329070403 /nfs/dbraw/zinc/07/04/03/329070403.db2.gz ZSHXEWGZFUFQMG-GOSISDBHSA-N 1 1 283.371 3.274 20 10 CGCDMO CCC(O)(CC)CC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000276650193 521652227 /nfs/dbraw/zinc/65/22/27/521652227.db2.gz MIJBHQNJUWYAOU-LLVKDONJSA-N 1 1 269.360 3.123 20 10 CGCDMO CCCOc1ccc(C[N@@H+](CC)C[C@@H](C)OC)c(O)c1 ZINC000291103069 520344072 /nfs/dbraw/zinc/34/40/72/520344072.db2.gz RPOYAEAJRJCFKJ-CYBMUJFWSA-N 1 1 281.396 3.038 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](n3cccn3)C2)cc1 ZINC000365847667 520895502 /nfs/dbraw/zinc/89/55/02/520895502.db2.gz OJYVKJQJOBXZEK-SFHVURJKSA-N 1 1 298.434 3.176 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1F ZINC000292739809 522184059 /nfs/dbraw/zinc/18/40/59/522184059.db2.gz HGUAKTTUQJRVTJ-LSDHHAIUSA-N 1 1 298.352 3.369 20 10 CGCDMO CC[C@@H]1CC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000292744211 523338571 /nfs/dbraw/zinc/33/85/71/523338571.db2.gz HWARMSFVCLTAED-LLVKDONJSA-N 1 1 255.745 3.039 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@H]1CO ZINC000276867056 524979580 /nfs/dbraw/zinc/97/95/80/524979580.db2.gz YBIUMDYLLPUFMB-KDOFPFPSSA-N 1 1 297.398 3.119 20 10 CGCDMO C[C@]1([NH2+]Cc2c(O)ccc(Cl)c2F)CCO[C@@H]1C1CC1 ZINC000365129944 525296020 /nfs/dbraw/zinc/29/60/20/525296020.db2.gz AMFXRXMNNKMEOS-CABCVRRESA-N 1 1 299.773 3.232 20 10 CGCDMO C[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(F)cc1O ZINC000062744991 525498008 /nfs/dbraw/zinc/49/80/08/525498008.db2.gz VNYZMEMQFCCXHV-BXUZGUMPSA-N 1 1 292.354 3.078 20 10 CGCDMO CSC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000292874052 525706740 /nfs/dbraw/zinc/70/67/40/525706740.db2.gz WSISLEUCMNANCT-NSHDSACASA-N 1 1 269.385 3.106 20 10 CGCDMO COCC[N@@H+](C)Cc1cc2oc3ccccc3c2cc1O ZINC000726962233 571688629 /nfs/dbraw/zinc/68/86/29/571688629.db2.gz SVHRFECBMFNVTL-UHFFFAOYSA-N 1 1 285.343 3.370 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](n3ccnc3)C2)cc1C ZINC000738150661 572365246 /nfs/dbraw/zinc/36/52/46/572365246.db2.gz XHQSCXSIQSKPGI-INIZCTEOSA-N 1 1 285.391 3.043 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](CN(C)C)C2)cc1C(C)C ZINC000738225076 572366578 /nfs/dbraw/zinc/36/65/78/572366578.db2.gz QZAHCKZSDYOYBS-HNNXBMFYSA-N 1 1 290.451 3.208 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](CN(C)C)C2)cc1C(C)C ZINC000738225076 572366581 /nfs/dbraw/zinc/36/65/81/572366581.db2.gz QZAHCKZSDYOYBS-HNNXBMFYSA-N 1 1 290.451 3.208 20 10 CGCDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@H](C)C3)c2c1 ZINC000725778687 572400039 /nfs/dbraw/zinc/40/00/39/572400039.db2.gz NUKQEJHTVCDNCP-LBPRGKRZSA-N 1 1 271.360 3.396 20 10 CGCDMO COc1cc(O)c(C[N@H+]2C[C@H](C)CCC[C@H]2C)cc1OC ZINC000160289174 617874465 /nfs/dbraw/zinc/87/44/65/617874465.db2.gz YVIYBUDPGRLAPW-CHWSQXEVSA-N 1 1 293.407 3.420 20 10 CGCDMO C[C@@H](C[NH2+]Cc1cccc(F)c1O)c1ccccc1 ZINC000083432507 618007641 /nfs/dbraw/zinc/00/76/41/618007641.db2.gz UFEPZJHOSKVGBZ-LBPRGKRZSA-N 1 1 259.324 3.425 20 10 CGCDMO Cc1cc(C[N@@H+](C)C[C@@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000176088404 618329240 /nfs/dbraw/zinc/32/92/40/618329240.db2.gz MTALIVNQPFGAFV-AWEZNQCLSA-N 1 1 291.435 3.466 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](OC)C2)cc1 ZINC000091772855 618725077 /nfs/dbraw/zinc/72/50/77/618725077.db2.gz ITBCTGCOBLPYGC-KRWDZBQOSA-N 1 1 276.424 3.144 20 10 CGCDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1O ZINC000179579814 618795884 /nfs/dbraw/zinc/79/58/84/618795884.db2.gz NZHNJMDYJJMNOM-CYBMUJFWSA-N 1 1 253.345 3.339 20 10 CGCDMO C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc(F)cc1O ZINC000185095637 625299941 /nfs/dbraw/zinc/29/99/41/625299941.db2.gz GRPZEPOXVRURGI-MGPLVRAMSA-N 1 1 293.313 3.055 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])[C@H](C)[C@H](C)O1 ZINC000783738356 618917244 /nfs/dbraw/zinc/91/72/44/618917244.db2.gz SAAOBFOCYCNELD-MXWKQRLJSA-N 1 1 269.772 3.043 20 10 CGCDMO C[C@@H]1CN(Cc2cccc(Cl)c2[O-])[C@H](C)[C@H](C)O1 ZINC000783738356 618917247 /nfs/dbraw/zinc/91/72/47/618917247.db2.gz SAAOBFOCYCNELD-MXWKQRLJSA-N 1 1 269.772 3.043 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000840910749 619120042 /nfs/dbraw/zinc/12/00/42/619120042.db2.gz RDICPVXCENXGQX-HNNXBMFYSA-N 1 1 288.435 3.062 20 10 CGCDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000093383627 619191345 /nfs/dbraw/zinc/19/13/45/619191345.db2.gz BFOZMZKCTXYFQC-DYEKYZERSA-N 1 1 289.375 3.274 20 10 CGCDMO Cc1cc(O)c(CN(C)CC[C@H]2CCCC[N@@H+]2C)cc1C ZINC000093660003 619208369 /nfs/dbraw/zinc/20/83/69/619208369.db2.gz ROYBMFMLYFYWHX-QGZVFWFLSA-N 1 1 290.451 3.315 20 10 CGCDMO Cc1cc(O)c(CN(C)CC[C@H]2CCCC[N@H+]2C)cc1C ZINC000093660003 619208374 /nfs/dbraw/zinc/20/83/74/619208374.db2.gz ROYBMFMLYFYWHX-QGZVFWFLSA-N 1 1 290.451 3.315 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2ocnc2C)cc1 ZINC000893911220 619331596 /nfs/dbraw/zinc/33/15/96/619331596.db2.gz SNTXQORGIATACJ-UHFFFAOYSA-N 1 1 287.407 3.461 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)Cc2ccccc2O)c1O ZINC000893962174 619337376 /nfs/dbraw/zinc/33/73/76/619337376.db2.gz LZGXBCNVGSXZCR-UHFFFAOYSA-N 1 1 287.359 3.047 20 10 CGCDMO CCC(C)(C)[N@@H+](C)Cc1cc(C)cc(OC)c1O ZINC000894019434 619351204 /nfs/dbraw/zinc/35/12/04/619351204.db2.gz MTHGJNNCLOYGOS-UHFFFAOYSA-N 1 1 251.370 3.330 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000894654546 619596148 /nfs/dbraw/zinc/59/61/48/619596148.db2.gz WZUKVNPGBFOWSS-NSHDSACASA-N 1 1 290.313 3.055 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000894654546 619596151 /nfs/dbraw/zinc/59/61/51/619596151.db2.gz WZUKVNPGBFOWSS-NSHDSACASA-N 1 1 290.313 3.055 20 10 CGCDMO COCC[N@@H+](Cc1ccccc1O)[C@@H]1CC[C@@H](C)C1 ZINC000792192483 619608397 /nfs/dbraw/zinc/60/83/97/619608397.db2.gz KZJGFQWIOWRBLE-UKRRQHHQSA-N 1 1 263.381 3.029 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH+]1CCC(OC2CCC2)CC1 ZINC000895024033 619696974 /nfs/dbraw/zinc/69/69/74/619696974.db2.gz HOZIEWIYTVLQPF-UHFFFAOYSA-N 1 1 297.345 3.204 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@H](c3nccs3)C2)c1O ZINC000895580642 619855935 /nfs/dbraw/zinc/85/59/35/619855935.db2.gz IFEWHSOXKFSJIX-ZDUSSCGKSA-N 1 1 274.389 3.147 20 10 CGCDMO CCC[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000097989736 619999498 /nfs/dbraw/zinc/99/94/98/619999498.db2.gz PCGZYPYJGSXMFW-UHFFFAOYSA-N 1 1 272.186 3.387 20 10 CGCDMO C[C@@H](Cc1cccs1)[NH2+]Cc1c(O)cccc1F ZINC000896636239 620040835 /nfs/dbraw/zinc/04/08/35/620040835.db2.gz BGPFOVMLOHXTES-JTQLQIEISA-N 1 1 265.353 3.314 20 10 CGCDMO CC(C)[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2F)CS1 ZINC000896638635 620041567 /nfs/dbraw/zinc/04/15/67/620041567.db2.gz WZIRGFSRNBVHRT-HZMBPMFUSA-N 1 1 269.385 3.151 20 10 CGCDMO CC(C)Cc1ncc(C[NH2+]Cc2c(O)cccc2F)s1 ZINC000896640314 620041608 /nfs/dbraw/zinc/04/16/08/620041608.db2.gz JWBZEZVFXAOXHX-UHFFFAOYSA-N 1 1 294.395 3.476 20 10 CGCDMO CC[N@@H+](Cc1ccccn1)Cc1cc(OC)c(C)cc1O ZINC000160380696 620197561 /nfs/dbraw/zinc/19/75/61/620197561.db2.gz WWEBYTLQHPRDDT-UHFFFAOYSA-N 1 1 286.375 3.126 20 10 CGCDMO CC1(C)CC2(CC([NH2+]Cc3cc(F)cc(F)c3O)C2)CO1 ZINC000897970579 620451184 /nfs/dbraw/zinc/45/11/84/620451184.db2.gz MMIWKJIYLIUJAV-UHFFFAOYSA-N 1 1 297.345 3.108 20 10 CGCDMO C[C@]12CSC[C@H]1C[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC000898421398 620586157 /nfs/dbraw/zinc/58/61/57/620586157.db2.gz BGFDEMIMVGXHOS-RISCZKNCSA-N 1 1 283.824 3.231 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(C)cc(OC)c2O)CCS1 ZINC000164429049 622834869 /nfs/dbraw/zinc/83/48/69/622834869.db2.gz GQNWSPYBSYVEHC-ZDUSSCGKSA-N 1 1 281.421 3.037 20 10 CGCDMO CSC[C@@H]1CCC[N@H+]1Cc1cc(C)cc(C)c1O ZINC000164526099 622836763 /nfs/dbraw/zinc/83/67/63/622836763.db2.gz LGYKUXFHEIXTQH-AWEZNQCLSA-N 1 1 265.422 3.336 20 10 CGCDMO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000229407881 623129836 /nfs/dbraw/zinc/12/98/36/623129836.db2.gz ITVXEIYGMFQZQH-CHWSQXEVSA-N 1 1 273.380 3.461 20 10 CGCDMO CC(C)N(CC[NH2+][C@H](C)c1ccc(F)cc1O)C(C)C ZINC000062744731 623264651 /nfs/dbraw/zinc/26/46/51/623264651.db2.gz RHYBYCRZDAVYEB-CYBMUJFWSA-N 1 1 282.403 3.301 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)C[C@H]2CC=CCC2)c1 ZINC000753574212 623417095 /nfs/dbraw/zinc/41/70/95/623417095.db2.gz APOKXDQNIUCCPT-ZDUSSCGKSA-N 1 1 261.365 3.189 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)C[C@@H]1COc2ccccc2O1 ZINC000179558016 624666593 /nfs/dbraw/zinc/66/65/93/624666593.db2.gz WGIRYJXNIRONNU-OAHLLOKOSA-N 1 1 299.370 3.054 20 10 CGCDMO CCC(CC)[N@@H+](CCOC)Cc1cc(F)ccc1O ZINC000179939324 624697901 /nfs/dbraw/zinc/69/79/01/624697901.db2.gz HXDWDLVVYPHJCF-UHFFFAOYSA-N 1 1 269.360 3.168 20 10 CGCDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(OC)ccc2O)C1(C)C ZINC000180395411 624745129 /nfs/dbraw/zinc/74/51/29/624745129.db2.gz WQXOXXITFLXUHW-CVEARBPZSA-N 1 1 293.407 3.036 20 10 CGCDMO COc1cccc2c1CC[N@@H+](Cc1cccc(C)c1O)C2 ZINC000180783134 624772567 /nfs/dbraw/zinc/77/25/67/624772567.db2.gz XXWQZWYEMKRUFM-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO COc1ccc(O)c(C[N@@H+]([C@@H](C)C(C)C)C2CC2)c1 ZINC000183446543 625075446 /nfs/dbraw/zinc/07/54/46/625075446.db2.gz PCXNCLWJOSETOT-LBPRGKRZSA-N 1 1 263.381 3.410 20 10 CGCDMO CCCC[N@@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000184672129 625261787 /nfs/dbraw/zinc/26/17/87/625261787.db2.gz FPIOIPOMQBBDHL-UHFFFAOYSA-N 1 1 257.761 3.286 20 10 CGCDMO CCN(CC)c1ccc(C[NH+]2CC(C(F)F)C2)cc1F ZINC000839140832 626323256 /nfs/dbraw/zinc/32/32/56/626323256.db2.gz ITFPGSCZNAHIAI-UHFFFAOYSA-N 1 1 286.341 3.369 20 10 CGCDMO COC[C@@H]1CCC[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000751948688 626412770 /nfs/dbraw/zinc/41/27/70/626412770.db2.gz DMGGJOIVHQPBLH-AWEZNQCLSA-N 1 1 293.407 3.006 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCCOC(C)(C)C2)c1 ZINC000754726408 626584976 /nfs/dbraw/zinc/58/49/76/626584976.db2.gz RTMMVTXBJISSIZ-UHFFFAOYSA-N 1 1 263.381 3.010 20 10 CGCDMO CC(C)[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000755920465 626660522 /nfs/dbraw/zinc/66/05/22/626660522.db2.gz APBOQALTAUXBOR-OAHLLOKOSA-N 1 1 259.393 3.359 20 10 CGCDMO C[C@H](CCN(C)C)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000756505660 626710745 /nfs/dbraw/zinc/71/07/45/626710745.db2.gz UXZVHRSWYPTANI-ZIAGYGMSSA-N 1 1 290.451 3.262 20 10 CGCDMO Cc1ccc2nc(C[NH2+][C@@H](C)c3ccc(F)cc3O)cn2c1 ZINC000756531999 626712490 /nfs/dbraw/zinc/71/24/90/626712490.db2.gz CLXKXKFJMFEEKH-LBPRGKRZSA-N 1 1 299.349 3.338 20 10 CGCDMO CCn1nc(C)c(C[NH2+][C@H](C)c2ccc(F)cc2O)c1C ZINC000756533568 626713232 /nfs/dbraw/zinc/71/32/32/626713232.db2.gz DWUMAVGOQKYLLA-SNVBAGLBSA-N 1 1 291.370 3.215 20 10 CGCDMO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756534806 626713295 /nfs/dbraw/zinc/71/32/95/626713295.db2.gz OURLUIUEZWCFBZ-IUCAKERBSA-N 1 1 295.333 3.124 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccncc2)c(O)c1 ZINC000757882390 626812453 /nfs/dbraw/zinc/81/24/53/626812453.db2.gz NXAIYLOURFJAHZ-ZDUSSCGKSA-N 1 1 286.375 3.379 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCOCC3(CCC3)C2)c1O ZINC000761225489 627026894 /nfs/dbraw/zinc/02/68/94/627026894.db2.gz INTJKJKIUBMKFA-UHFFFAOYSA-N 1 1 295.810 3.357 20 10 CGCDMO CC[C@H]1CN(c2ccccc2)CC[N@H+]1Cc1ccccc1O ZINC000764678945 627218275 /nfs/dbraw/zinc/21/82/75/627218275.db2.gz PEVCMUQFKHVVIG-KRWDZBQOSA-N 1 1 296.414 3.493 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H]1CC(C)C ZINC000768317216 627473600 /nfs/dbraw/zinc/47/36/00/627473600.db2.gz HADOUJNJDYIFMR-CYBMUJFWSA-N 1 1 263.381 3.411 20 10 CGCDMO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000768463964 627481522 /nfs/dbraw/zinc/48/15/22/627481522.db2.gz YCVPNHKGBNLERK-GUYCJALGSA-N 1 1 289.419 3.006 20 10 CGCDMO CCOc1ccc(C[N@@H+](CCOC)C2CCCC2)c(O)c1 ZINC000768579181 627487831 /nfs/dbraw/zinc/48/78/31/627487831.db2.gz QUQYDUAGLBXJSU-UHFFFAOYSA-N 1 1 293.407 3.182 20 10 CGCDMO CN(C)c1ccc(C[NH+]2Cc3ccccc3C2)cc1F ZINC000769336938 627543860 /nfs/dbraw/zinc/54/38/60/627543860.db2.gz DXLGMODVWZXXBK-UHFFFAOYSA-N 1 1 270.351 3.408 20 10 CGCDMO CC(C)C[C@@H]1COCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000769397548 627548528 /nfs/dbraw/zinc/54/85/28/627548528.db2.gz FFAYYPBDLOLUSQ-GFCCVEGCSA-N 1 1 283.799 3.293 20 10 CGCDMO CC(C)C[C@@H]1COCC[N@H+]1Cc1c(O)cccc1Cl ZINC000769397548 627548531 /nfs/dbraw/zinc/54/85/31/627548531.db2.gz FFAYYPBDLOLUSQ-GFCCVEGCSA-N 1 1 283.799 3.293 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000769485676 627559368 /nfs/dbraw/zinc/55/93/68/627559368.db2.gz NNDNXRAEMNCQEU-MRXNPFEDSA-N 1 1 295.810 3.438 20 10 CGCDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2cc(C)ccc2O)C1(C)C ZINC000769549502 627564952 /nfs/dbraw/zinc/56/49/52/627564952.db2.gz SBCFEANIFRFHCB-WBVHZDCISA-N 1 1 277.408 3.336 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)C[C@H]2CCCOC2)cc1 ZINC000773758585 627912152 /nfs/dbraw/zinc/91/21/52/627912152.db2.gz WXLHFIDMZUFSQM-MRXNPFEDSA-N 1 1 276.424 3.001 20 10 CGCDMO CCN(C)c1ccc(C[NH2+][C@@H](COC)c2ccco2)cc1 ZINC000773838377 627919472 /nfs/dbraw/zinc/91/94/72/627919472.db2.gz MWSNKEBVMCXBAJ-INIZCTEOSA-N 1 1 288.391 3.213 20 10 CGCDMO COC[C@@H](C)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774095103 627944621 /nfs/dbraw/zinc/94/46/21/627944621.db2.gz BRRHPJPYLLNTLD-HTQZYQBOSA-N 1 1 278.179 3.385 20 10 CGCDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000775175407 628068977 /nfs/dbraw/zinc/06/89/77/628068977.db2.gz IAHGUXKVOGKUMX-KRWDZBQOSA-N 1 1 277.408 3.136 20 10 CGCDMO CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc(Cl)ccc1[O-] ZINC000775532479 628104280 /nfs/dbraw/zinc/10/42/80/628104280.db2.gz VQXBTJXKPMDCIO-OAHLLOKOSA-N 1 1 294.826 3.348 20 10 CGCDMO CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(Cl)ccc1[O-] ZINC000775532479 628104281 /nfs/dbraw/zinc/10/42/81/628104281.db2.gz VQXBTJXKPMDCIO-OAHLLOKOSA-N 1 1 294.826 3.348 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2cccc(C)c2O)c1 ZINC000775641791 628118100 /nfs/dbraw/zinc/11/81/00/628118100.db2.gz FAMRKHURTSERMX-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](Cc2ccc(C)o2)C2CC2)c1 ZINC000775649220 628119213 /nfs/dbraw/zinc/11/92/13/628119213.db2.gz MUCBMHAFLFWTKJ-UHFFFAOYSA-N 1 1 287.359 3.467 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)c1O ZINC000775653612 628120109 /nfs/dbraw/zinc/12/01/09/628120109.db2.gz KGHCLEYAZSOAPP-CYBMUJFWSA-N 1 1 296.842 3.128 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+](C)C[C@@H]2CCCN(C)C2)c1O ZINC000775653612 628120112 /nfs/dbraw/zinc/12/01/12/628120112.db2.gz KGHCLEYAZSOAPP-CYBMUJFWSA-N 1 1 296.842 3.128 20 10 CGCDMO Cc1cc([C@H]2CCC[N@H+]2Cc2cccc(C)c2O)on1 ZINC000775655582 628120444 /nfs/dbraw/zinc/12/04/44/628120444.db2.gz GVGACHIBBIZAFT-CQSZACIVSA-N 1 1 272.348 3.334 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+](C)Cc2cccn2C)c1O ZINC000775714063 628128304 /nfs/dbraw/zinc/12/83/04/628128304.db2.gz QKOVLSCPAQFAOP-UHFFFAOYSA-N 1 1 278.783 3.325 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1O ZINC000775736152 628130998 /nfs/dbraw/zinc/13/09/98/628130998.db2.gz NXZJARDYAFIDCS-WFASDCNBSA-N 1 1 295.810 3.355 20 10 CGCDMO CCOc1ccc(CNc2[nH+]cccc2C)c(O)c1 ZINC000776025131 628159582 /nfs/dbraw/zinc/15/95/82/628159582.db2.gz VWYONVOAJWOZMR-UHFFFAOYSA-N 1 1 258.321 3.106 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](OCC3CC3)C2)cc1C ZINC000777554869 628283093 /nfs/dbraw/zinc/28/30/93/628283093.db2.gz KVDOEWLCYNIXQG-QGZVFWFLSA-N 1 1 289.419 3.400 20 10 CGCDMO CC(C)[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000777969856 628317416 /nfs/dbraw/zinc/31/74/16/628317416.db2.gz UPFCLBBBUKUPIQ-SFHVURJKSA-N 1 1 285.387 3.402 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H]1CCO[C@H](C)C1 ZINC000779002048 628382849 /nfs/dbraw/zinc/38/28/49/628382849.db2.gz JQILVDSTYLZBBT-CABCVRRESA-N 1 1 277.408 3.419 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2Cc3ccccc3OC[C@@H]2C)c1 ZINC000783597224 628730358 /nfs/dbraw/zinc/73/03/58/628730358.db2.gz KQXXLUJIRLAOIH-AWEZNQCLSA-N 1 1 283.371 3.484 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)cc1 ZINC000784670152 628828233 /nfs/dbraw/zinc/82/82/33/628828233.db2.gz NHTFIZGUEUKTEH-SAABIXHNSA-N 1 1 290.451 3.268 20 10 CGCDMO COc1ccc(N2CCC[N@@H+](CC3(C)CC3)CC2)cc1 ZINC000787129459 628993443 /nfs/dbraw/zinc/99/34/43/628993443.db2.gz SADMCGMHPYGKFB-UHFFFAOYSA-N 1 1 274.408 3.007 20 10 CGCDMO COc1c(O)c(C[N@H+](C)C2(C)CCCC2)ccc1[N+](=O)[O-] ZINC000787337699 629009132 /nfs/dbraw/zinc/00/91/32/629009132.db2.gz PHKKCURJKRTQOX-UHFFFAOYSA-N 1 1 294.351 3.074 20 10 CGCDMO COc1c(O)c(C[N@@H+](C)C2(C)CCCC2)ccc1[N+](=O)[O-] ZINC000787337699 629009133 /nfs/dbraw/zinc/00/91/33/629009133.db2.gz PHKKCURJKRTQOX-UHFFFAOYSA-N 1 1 294.351 3.074 20 10 CGCDMO CC[C@@](C)(O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788592397 629066666 /nfs/dbraw/zinc/06/66/66/629066666.db2.gz BXOGDQVZHBNISQ-NOZJJQNGSA-N 1 1 291.313 3.223 20 10 CGCDMO CC[C@@H](COC)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788606315 629068889 /nfs/dbraw/zinc/06/88/89/629068889.db2.gz ZNQHUSONYDXMDO-ZJUUUORDSA-N 1 1 291.313 3.487 20 10 CGCDMO COc1cc(O)c(C[N@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)cc1OC ZINC000789586378 629147986 /nfs/dbraw/zinc/14/79/86/629147986.db2.gz NGHSHBJAHVDBQA-AGIUHOORSA-N 1 1 293.407 3.276 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCCCCO)cc1F ZINC000789762868 629166659 /nfs/dbraw/zinc/16/66/59/629166659.db2.gz XDCGNLKJMASWTP-UHFFFAOYSA-N 1 1 296.430 3.266 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCSCC[C@H]2C)c1O ZINC000790480053 629212207 /nfs/dbraw/zinc/21/22/07/629212207.db2.gz WYTLFQWTGCOORP-GFCCVEGCSA-N 1 1 281.421 3.037 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCSC1 ZINC000790486701 629213070 /nfs/dbraw/zinc/21/30/70/629213070.db2.gz ZHYVUQXEGVZHBT-QMMMGPOBSA-N 1 1 275.776 3.027 20 10 CGCDMO C[C@H]1CCSCC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000790482304 629213187 /nfs/dbraw/zinc/21/31/87/629213187.db2.gz VZFNQVLQAQFBSU-LBPRGKRZSA-N 1 1 288.416 3.268 20 10 CGCDMO C[C@H]1CC[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000790993746 629247999 /nfs/dbraw/zinc/24/79/99/629247999.db2.gz YKNHLFDZHQGXOM-IUCAKERBSA-N 1 1 257.736 3.463 20 10 CGCDMO CO[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)CC[C@H]1C ZINC000792180382 629345475 /nfs/dbraw/zinc/34/54/75/629345475.db2.gz QZTPCWAXEPSXOM-NOZJJQNGSA-N 1 1 287.762 3.042 20 10 CGCDMO CO[C@@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)CC[C@H]1C ZINC000792180382 629345480 /nfs/dbraw/zinc/34/54/80/629345480.db2.gz QZTPCWAXEPSXOM-NOZJJQNGSA-N 1 1 287.762 3.042 20 10 CGCDMO CCn1ccc(C[N@@H+](C)Cc2c(O)cccc2Cl)c1 ZINC000792182990 629345928 /nfs/dbraw/zinc/34/59/28/629345928.db2.gz LPAMHGVSXNSGHY-UHFFFAOYSA-N 1 1 278.783 3.499 20 10 CGCDMO COCC[N@@H+](Cc1cc(C)ccc1O)[C@H]1CC[C@@H](C)C1 ZINC000792193008 629347655 /nfs/dbraw/zinc/34/76/55/629347655.db2.gz PNNIQZQQIZNEML-ZBFHGGJFSA-N 1 1 277.408 3.338 20 10 CGCDMO COCC[N@@H+](Cc1cccc(C)c1O)[C@@H]1CC[C@H](C)C1 ZINC000792193163 629348159 /nfs/dbraw/zinc/34/81/59/629348159.db2.gz RJRSIYRTKQGJRG-XJKSGUPXSA-N 1 1 277.408 3.338 20 10 CGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@@H]2C2CC2)cc1F ZINC000862385003 629358248 /nfs/dbraw/zinc/35/82/48/629358248.db2.gz NMMGQHVYFVLXHA-CQSZACIVSA-N 1 1 266.335 3.015 20 10 CGCDMO Cc1cccc(C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1O ZINC000862442329 629374727 /nfs/dbraw/zinc/37/47/27/629374727.db2.gz HRIKIMKGAFWUID-TXEJJXNPSA-N 1 1 269.335 3.424 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)cc1 ZINC000862540384 629395658 /nfs/dbraw/zinc/39/56/58/629395658.db2.gz DRTDOQWDPAUFJM-QGZVFWFLSA-N 1 1 296.414 3.448 20 10 CGCDMO COc1cccc2c1C[N@H+](Cc1cc(C)cc(OC)c1O)C2 ZINC000863319994 629531433 /nfs/dbraw/zinc/53/14/33/629531433.db2.gz CSFFOQITKARCRH-UHFFFAOYSA-N 1 1 299.370 3.234 20 10 CGCDMO COc1cccc2c1C[N@@H+](Cc1cc(C)cc(OC)c1O)C2 ZINC000863319994 629531435 /nfs/dbraw/zinc/53/14/35/629531435.db2.gz CSFFOQITKARCRH-UHFFFAOYSA-N 1 1 299.370 3.234 20 10 CGCDMO CC1=C(C)C[N@@H+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000794888710 629595009 /nfs/dbraw/zinc/59/50/09/629595009.db2.gz AZGRLPJLEHULMK-UHFFFAOYSA-N 1 1 257.377 3.423 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)NC2)c1O ZINC000863548294 629602974 /nfs/dbraw/zinc/60/29/74/629602974.db2.gz WVSWOXVSZOIVBK-NTZNESFSSA-N 1 1 282.815 3.145 20 10 CGCDMO Cc1noc([C@H]2CCC[N@H+]2Cc2cc(C)cc(C)c2O)n1 ZINC000795749532 629713086 /nfs/dbraw/zinc/71/30/86/629713086.db2.gz JENXQLNLMJFGSQ-CQSZACIVSA-N 1 1 287.363 3.038 20 10 CGCDMO CO[C@@H](C)C[N@@H+](C)Cc1cc(C(C)C)c(C)cc1O ZINC000795750150 629713483 /nfs/dbraw/zinc/71/34/83/629713483.db2.gz JYEQXXOLENJAJO-ZDUSSCGKSA-N 1 1 265.397 3.291 20 10 CGCDMO Cn1c[nH+]c2cc(NCc3cccc4c3CCOC4)ccc21 ZINC000864016260 629727368 /nfs/dbraw/zinc/72/73/68/629727368.db2.gz QAPDDBXHZKRLDL-UHFFFAOYSA-N 1 1 293.370 3.258 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1ccc(F)cc1O ZINC000796762381 629828911 /nfs/dbraw/zinc/82/89/11/629828911.db2.gz OXHGFWDODFFVKD-HOCLYGCPSA-N 1 1 292.398 3.056 20 10 CGCDMO CC[C@H]([NH2+]CCOC(C)(C)C)c1ccc(F)cc1O ZINC000796872768 629852582 /nfs/dbraw/zinc/85/25/82/629852582.db2.gz LEHRQWJEAQMXGY-ZDUSSCGKSA-N 1 1 269.360 3.387 20 10 CGCDMO CC[C@H]([NH2+]CCOC1CCC1)c1ccc(F)cc1O ZINC000796889430 629853876 /nfs/dbraw/zinc/85/38/76/629853876.db2.gz OFHKPJTZHSWPIH-AWEZNQCLSA-N 1 1 267.344 3.141 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](c3ccccc3)C1)OCO2 ZINC000120272760 629933446 /nfs/dbraw/zinc/93/34/46/629933446.db2.gz KMVNKCPBVSYIQR-CQSZACIVSA-N 1 1 297.354 3.110 20 10 CGCDMO CCCC[N@H+](CC(=O)OC(C)(C)C)Cc1ccccc1O ZINC000801595035 630346890 /nfs/dbraw/zinc/34/68/90/630346890.db2.gz FGTIOZDDQOGDOD-UHFFFAOYSA-N 1 1 293.407 3.336 20 10 CGCDMO CCCC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccccc1O ZINC000801595035 630346893 /nfs/dbraw/zinc/34/68/93/630346893.db2.gz FGTIOZDDQOGDOD-UHFFFAOYSA-N 1 1 293.407 3.336 20 10 CGCDMO CCCC[N@@H+](CCn1cc(C)cn1)Cc1ccccc1O ZINC000801599559 630347692 /nfs/dbraw/zinc/34/76/92/630347692.db2.gz TYEPMGQBVZITCZ-UHFFFAOYSA-N 1 1 287.407 3.199 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)CCN(C)C)c1O ZINC000808686380 630664561 /nfs/dbraw/zinc/66/45/61/630664561.db2.gz XTOQSSIIIMGWMD-NEPJUHHUSA-N 1 1 284.831 3.345 20 10 CGCDMO CCCC[C@](C)(CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000842746416 635457099 /nfs/dbraw/zinc/45/70/99/635457099.db2.gz KUSRMXDQNQEZDO-CQSZACIVSA-N 1 1 289.778 3.216 20 10 CGCDMO CCC[N@@H+](CCN1CCCC1)Cc1cc(C)c(C)cc1O ZINC000809700886 630785466 /nfs/dbraw/zinc/78/54/66/630785466.db2.gz QKIYBSYUNUVPKD-UHFFFAOYSA-N 1 1 290.451 3.317 20 10 CGCDMO CCCN(CC[NH+]1CCCC1)Cc1cc(C)c(C)cc1O ZINC000809700886 630785468 /nfs/dbraw/zinc/78/54/68/630785468.db2.gz QKIYBSYUNUVPKD-UHFFFAOYSA-N 1 1 290.451 3.317 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](CC)Cc2ccncc2)c1 ZINC000809725923 630793235 /nfs/dbraw/zinc/79/32/35/630793235.db2.gz ADOCWIUFHZCUCT-UHFFFAOYSA-N 1 1 286.375 3.208 20 10 CGCDMO CN(C)CC[N@H+](Cc1ccccc1O)CC1CCCCC1 ZINC000809736777 630795102 /nfs/dbraw/zinc/79/51/02/630795102.db2.gz JGNKHIBOQUNAQV-UHFFFAOYSA-N 1 1 290.451 3.336 20 10 CGCDMO CC[N@H+](CCCN1CCCC1)Cc1cc(C)c(C)cc1O ZINC000809750466 630799186 /nfs/dbraw/zinc/79/91/86/630799186.db2.gz XKVHXJCPBSRJGI-UHFFFAOYSA-N 1 1 290.451 3.317 20 10 CGCDMO CC[N@@H+](CCCN1CCCC1)Cc1cc(C)c(C)cc1O ZINC000809750466 630799194 /nfs/dbraw/zinc/79/91/94/630799194.db2.gz XKVHXJCPBSRJGI-UHFFFAOYSA-N 1 1 290.451 3.317 20 10 CGCDMO C[C@@H](C[N@@H+](Cc1ccccc1O)[C@@H](C)CO)c1ccccc1 ZINC000809774932 630803936 /nfs/dbraw/zinc/80/39/36/630803936.db2.gz VFVFNUYVTPBLKH-HOTGVXAUSA-N 1 1 299.414 3.379 20 10 CGCDMO CCC[N@H+](CC)C[C@H](C)N[C@@H](C)c1cc(F)ccc1O ZINC000810263788 630862457 /nfs/dbraw/zinc/86/24/57/630862457.db2.gz TUOKUHJCZXSSDR-STQMWFEESA-N 1 1 282.403 3.302 20 10 CGCDMO CCC[N@@H+](CC)C[C@H](C)N[C@@H](C)c1cc(F)ccc1O ZINC000810263788 630862460 /nfs/dbraw/zinc/86/24/60/630862460.db2.gz TUOKUHJCZXSSDR-STQMWFEESA-N 1 1 282.403 3.302 20 10 CGCDMO Oc1ccccc1CN1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000811508233 631079088 /nfs/dbraw/zinc/07/90/88/631079088.db2.gz HHFRULJMZGMPGR-QGZVFWFLSA-N 1 1 294.398 3.377 20 10 CGCDMO CC1(C)[C@H](O)CC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000812778441 631307294 /nfs/dbraw/zinc/30/72/94/631307294.db2.gz GHEUHWMVXYBZIW-QGZVFWFLSA-N 1 1 288.435 3.022 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000876539281 634853057 /nfs/dbraw/zinc/85/30/57/634853057.db2.gz BIJDSAFZVKQZGX-UHFFFAOYSA-N 1 1 299.370 3.104 20 10 CGCDMO Cc1cc(C[N@@H+]2CCSCC[C@@H]2C)ccc1N(C)C ZINC000815100105 631716811 /nfs/dbraw/zinc/71/68/11/631716811.db2.gz CHHZSVDNEWHLGL-AWEZNQCLSA-N 1 1 278.465 3.388 20 10 CGCDMO Cc1cc(C[N@H+]2CCS[C@H](C)CC2)ccc1N(C)C ZINC000815101773 631717625 /nfs/dbraw/zinc/71/76/25/631717625.db2.gz ANOZTROCZOFDQG-CQSZACIVSA-N 1 1 278.465 3.388 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 ZINC000815107160 631719070 /nfs/dbraw/zinc/71/90/70/631719070.db2.gz HHCWLCBKRLHBGD-GOEBONIOSA-N 1 1 276.424 3.060 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)ccc1N(C)C ZINC000815113407 631720346 /nfs/dbraw/zinc/72/03/46/631720346.db2.gz ALHKFBZJAXQUHV-QZTJIDSGSA-N 1 1 288.435 3.204 20 10 CGCDMO C[C@@H](CN(C)C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815625793 631808702 /nfs/dbraw/zinc/80/87/02/631808702.db2.gz MKSCDFPXPNWSDF-UWVGGRQHSA-N 1 1 290.329 3.012 20 10 CGCDMO C[C@@H](C1CC1)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816488470 631992251 /nfs/dbraw/zinc/99/22/51/631992251.db2.gz UUWRYDRIXZYOAV-QMMMGPOBSA-N 1 1 257.736 3.415 20 10 CGCDMO Oc1cc(F)c(Cl)cc1CN1CCOC2(CCCC2)C1 ZINC000816513880 631999584 /nfs/dbraw/zinc/99/95/84/631999584.db2.gz FQWNNSSWNKLPBA-UHFFFAOYSA-N 1 1 299.773 3.330 20 10 CGCDMO [O-]c1c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ccc2ccccc21 ZINC000816535479 632005912 /nfs/dbraw/zinc/00/59/12/632005912.db2.gz PSSIPMRCZXKXLV-AWEZNQCLSA-N 1 1 296.414 3.119 20 10 CGCDMO [O-]c1c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccc2ccccc21 ZINC000816535479 632005919 /nfs/dbraw/zinc/00/59/19/632005919.db2.gz PSSIPMRCZXKXLV-AWEZNQCLSA-N 1 1 296.414 3.119 20 10 CGCDMO CCCC[C@H](COC)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816552416 632009841 /nfs/dbraw/zinc/00/98/41/632009841.db2.gz LNXKENFAQDOVJM-LLVKDONJSA-N 1 1 289.778 3.480 20 10 CGCDMO Cc1cc(O)c(CN2CC[N@H+](C)Cc3ccccc32)cc1C ZINC000816617544 632024540 /nfs/dbraw/zinc/02/45/40/632024540.db2.gz CKDOBMVPGDJSBS-UHFFFAOYSA-N 1 1 296.414 3.461 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@H+]2C[C@H](C)[C@H]2C)c1 ZINC000816648982 632034364 /nfs/dbraw/zinc/03/43/64/632034364.db2.gz RNQMJYYPQGHZLE-VHSXEESVSA-N 1 1 284.197 3.303 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H](C)[C@H]2C)c1 ZINC000816648982 632034373 /nfs/dbraw/zinc/03/43/73/632034373.db2.gz RNQMJYYPQGHZLE-VHSXEESVSA-N 1 1 284.197 3.303 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc(Cl)c1[O-] ZINC000817950750 632246627 /nfs/dbraw/zinc/24/66/27/632246627.db2.gz YOHOHSJNAUWSER-FZMZJTMJSA-N 1 1 282.815 3.228 20 10 CGCDMO CC[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(C(F)(F)F)cc1[O-] ZINC000817951744 632247305 /nfs/dbraw/zinc/24/73/05/632247305.db2.gz GXDCUZVQUWIOPT-JOYOIKCWSA-N 1 1 290.329 3.189 20 10 CGCDMO CCNCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000817952157 632247991 /nfs/dbraw/zinc/24/79/91/632247991.db2.gz OFFPFBKSRVNQBY-SFHVURJKSA-N 1 1 298.430 3.265 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H](N)c1ccccc1)c1ccc(F)cc1O ZINC000817955546 632250480 /nfs/dbraw/zinc/25/04/80/632250480.db2.gz YMDUPGNNKUQHRB-HZPDHXFCSA-N 1 1 288.366 3.272 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817969371 632262378 /nfs/dbraw/zinc/26/23/78/632262378.db2.gz DDGBMLSRWINZSH-OIBJUYFYSA-N 1 1 277.195 3.087 20 10 CGCDMO CCC[C@H](CCO)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000866414316 633127334 /nfs/dbraw/zinc/12/73/34/633127334.db2.gz CYDCDDVELIOHFS-ZYHUDNBSSA-N 1 1 271.788 3.247 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1cc(F)cc(F)c1O ZINC000866634933 633223873 /nfs/dbraw/zinc/22/38/73/633223873.db2.gz VWDFWBOVVQWTSN-TVQRCGJNSA-N 1 1 293.317 3.053 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1cc(F)cc(F)c1O ZINC000866634930 633223979 /nfs/dbraw/zinc/22/39/79/633223979.db2.gz VWDFWBOVVQWTSN-NOZJJQNGSA-N 1 1 293.317 3.053 20 10 CGCDMO CC[C@@H](C)[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)OC ZINC000824596993 633262872 /nfs/dbraw/zinc/26/28/72/633262872.db2.gz NCTGWRAACBONAG-NOZJJQNGSA-N 1 1 289.778 3.335 20 10 CGCDMO COc1cc(C[N@@H+](C)Cc2c(C)cccc2O)ccc1O ZINC000876563042 634858785 /nfs/dbraw/zinc/85/87/85/634858785.db2.gz WVVBUHIPMAOUHL-UHFFFAOYSA-N 1 1 287.359 3.047 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCC3(CCC3)C1)CCC2 ZINC000121920709 633278713 /nfs/dbraw/zinc/27/87/13/633278713.db2.gz QMASPIBEEOLRQP-UHFFFAOYSA-N 1 1 257.377 3.257 20 10 CGCDMO COc1cccc(C[N@H+]2CCCc3ccccc3CC2)c1O ZINC000824982490 633313596 /nfs/dbraw/zinc/31/35/96/633313596.db2.gz GMTQTXJTKIWIFJ-UHFFFAOYSA-N 1 1 297.398 3.392 20 10 CGCDMO CO[C@H]([C@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F)C1CC1 ZINC000825099089 633328922 /nfs/dbraw/zinc/32/89/22/633328922.db2.gz ULGJUAUBOFRYSX-RMLUDKJBSA-N 1 1 287.762 3.088 20 10 CGCDMO CO[C@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2O)CC[C@@H]1C ZINC000825633561 633368610 /nfs/dbraw/zinc/36/86/10/633368610.db2.gz AXUJUFLAMHZIJV-BONVTDFDSA-N 1 1 283.799 3.211 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@]2(C)CCCO)cc1Cl ZINC000825928347 633388997 /nfs/dbraw/zinc/38/89/97/633388997.db2.gz RVTDDBUASRGCGU-INIZCTEOSA-N 1 1 297.826 3.481 20 10 CGCDMO COc1cccc(C[N@H+]2CCc3ccc(C)cc3C2)c1O ZINC000826910234 633442807 /nfs/dbraw/zinc/44/28/07/633442807.db2.gz BHDOMROQPRWOHF-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000827376796 633486601 /nfs/dbraw/zinc/48/66/01/633486601.db2.gz HVKJFTZVQFDJDA-SUMWQHHRSA-N 1 1 293.382 3.312 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@H](C3CCC3)C2)c1O ZINC000827627497 633504178 /nfs/dbraw/zinc/50/41/78/633504178.db2.gz UUQMVKJLZAEMEA-AWEZNQCLSA-N 1 1 275.392 3.413 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000828088577 633558495 /nfs/dbraw/zinc/55/84/95/633558495.db2.gz YCCHYOFTTSJOLE-CQSZACIVSA-N 1 1 293.407 3.038 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCc3c(F)cccc3C2)c1 ZINC000123809353 633885490 /nfs/dbraw/zinc/88/54/90/633885490.db2.gz HBKPSGMJRWYMBM-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)Cc2ccccn2)cc1 ZINC000831039112 633912508 /nfs/dbraw/zinc/91/25/08/633912508.db2.gz VBXAVXQYEMHCKB-UHFFFAOYSA-N 1 1 269.392 3.170 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H](F)C2)c(Cl)c1 ZINC000846119485 636147369 /nfs/dbraw/zinc/14/73/69/636147369.db2.gz FQGJCMDWVVGSPF-JTQLQIEISA-N 1 1 257.736 3.288 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](F)C2)c(Cl)c1 ZINC000846119485 636147372 /nfs/dbraw/zinc/14/73/72/636147372.db2.gz FQGJCMDWVVGSPF-JTQLQIEISA-N 1 1 257.736 3.288 20 10 CGCDMO CC(C)C[N@H+](C)CCCN[C@@H](C)c1cc(F)ccc1O ZINC000846178461 636154661 /nfs/dbraw/zinc/15/46/61/636154661.db2.gz VXEVVHKPNWNXQT-ZDUSSCGKSA-N 1 1 282.403 3.160 20 10 CGCDMO CC(C)C[N@@H+](C)CCCN[C@@H](C)c1cc(F)ccc1O ZINC000846178461 636154663 /nfs/dbraw/zinc/15/46/63/636154663.db2.gz VXEVVHKPNWNXQT-ZDUSSCGKSA-N 1 1 282.403 3.160 20 10 CGCDMO C[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccc(Cl)cc1O ZINC000872114478 634039083 /nfs/dbraw/zinc/03/90/83/634039083.db2.gz WPWXUYQALHGESY-WDEREUQCSA-N 1 1 297.782 3.040 20 10 CGCDMO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000834890069 634270162 /nfs/dbraw/zinc/27/01/62/634270162.db2.gz BQIWQQMXGPPXAE-SUNKGSAMSA-N 1 1 251.345 3.474 20 10 CGCDMO COc1cccnc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000834905372 634281321 /nfs/dbraw/zinc/28/13/21/634281321.db2.gz GMEWVAADYKPCSB-CYBMUJFWSA-N 1 1 285.391 3.007 20 10 CGCDMO C[C@H](C1CC1)[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835025783 634323856 /nfs/dbraw/zinc/32/38/56/634323856.db2.gz NJHFBHGMMJCJPI-GEXIGZQTSA-N 1 1 258.409 3.496 20 10 CGCDMO Cc1cccc(O)c1CN1CCC[N@H+](C(C)(C)C)CC1 ZINC000876650962 634875662 /nfs/dbraw/zinc/87/56/62/634875662.db2.gz LDRVOBDXJRIDJL-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+]1CCCN(C(C)(C)C)CC1 ZINC000876650962 634875663 /nfs/dbraw/zinc/87/56/63/634875663.db2.gz LDRVOBDXJRIDJL-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCCN(C(C)(C)C)CC1 ZINC000876650962 634875669 /nfs/dbraw/zinc/87/56/69/634875669.db2.gz LDRVOBDXJRIDJL-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000877540457 635079253 /nfs/dbraw/zinc/07/92/53/635079253.db2.gz ZNTKJOUKTGKENF-JKSUJKDBSA-N 1 1 275.392 3.090 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c(Cl)c1 ZINC000840919356 635083325 /nfs/dbraw/zinc/08/33/25/635083325.db2.gz CSBIPMAQIZSZBI-WFASDCNBSA-N 1 1 295.810 3.355 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C)[C@H](C)C1 ZINC000840942446 635088078 /nfs/dbraw/zinc/08/80/78/635088078.db2.gz ODDVUBOSLLOQLD-PBHICJAKSA-N 1 1 276.424 3.060 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000840941166 635088312 /nfs/dbraw/zinc/08/83/12/635088312.db2.gz POWLNVCIUQWSCD-KSSFIOAISA-N 1 1 288.435 3.060 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000840941164 635088344 /nfs/dbraw/zinc/08/83/44/635088344.db2.gz POWLNVCIUQWSCD-KDOFPFPSSA-N 1 1 288.435 3.060 20 10 CGCDMO CCn1ccnc1[C@@H](C)[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840951421 635091532 /nfs/dbraw/zinc/09/15/32/635091532.db2.gz XYPASFUJHQPSFJ-LLVKDONJSA-N 1 1 293.798 3.421 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000840952490 635092485 /nfs/dbraw/zinc/09/24/85/635092485.db2.gz BHBXVSIAQNWAAP-CYBMUJFWSA-N 1 1 296.842 3.176 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000840952490 635092486 /nfs/dbraw/zinc/09/24/86/635092486.db2.gz BHBXVSIAQNWAAP-CYBMUJFWSA-N 1 1 296.842 3.176 20 10 CGCDMO CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000841020557 635108072 /nfs/dbraw/zinc/10/80/72/635108072.db2.gz YRLBCTOTXTVSHA-HZPDHXFCSA-N 1 1 290.451 3.382 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000841020557 635108075 /nfs/dbraw/zinc/10/80/75/635108075.db2.gz YRLBCTOTXTVSHA-HZPDHXFCSA-N 1 1 290.451 3.382 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@H](OC3CCC3)C2)c(O)c1 ZINC000877618558 635115584 /nfs/dbraw/zinc/11/55/84/635115584.db2.gz YRFQBIUGDXRHEN-INIZCTEOSA-N 1 1 275.392 3.234 20 10 CGCDMO Oc1c(F)cccc1C[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000841071156 635117501 /nfs/dbraw/zinc/11/75/01/635117501.db2.gz ZBKJSKVIUXWQSG-UHFFFAOYSA-N 1 1 286.350 3.179 20 10 CGCDMO COc1ccc(O)c(C[NH2+][C@H](CF)c2ccc(F)cc2)c1 ZINC000877758502 635187416 /nfs/dbraw/zinc/18/74/16/635187416.db2.gz FVHTXMHLMYODTD-OAHLLOKOSA-N 1 1 293.313 3.340 20 10 CGCDMO Cc1csc([C@@H]2CC[N@@H+](Cc3c(C)cccc3O)C2)n1 ZINC000877813913 635221420 /nfs/dbraw/zinc/22/14/20/635221420.db2.gz LSDGKLOMABKRRI-CYBMUJFWSA-N 1 1 288.416 3.455 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(Cl)cc1O ZINC000841747951 635224080 /nfs/dbraw/zinc/22/40/80/635224080.db2.gz FSGMJMXXIOEKEL-SCVCMEIPSA-N 1 1 269.772 3.264 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1ccc(Cl)cc1O ZINC000841756954 635230087 /nfs/dbraw/zinc/23/00/87/635230087.db2.gz LPFGRWXCIHAKLV-WDEREUQCSA-N 1 1 293.798 3.061 20 10 CGCDMO COCC(C)(C)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841756818 635230231 /nfs/dbraw/zinc/23/02/31/635230231.db2.gz KLDXDIRZOKDHCF-JTQLQIEISA-N 1 1 271.788 3.369 20 10 CGCDMO CCC[N@@H+](Cc1cncn1CC)Cc1ccccc1O ZINC000841837137 635241983 /nfs/dbraw/zinc/24/19/83/635241983.db2.gz YPJAYMNOCLDGQU-UHFFFAOYSA-N 1 1 273.380 3.021 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCSC[C@@H]1C1CCC1 ZINC000841894157 635248711 /nfs/dbraw/zinc/24/87/11/635248711.db2.gz SMQZIQDDFMOQIN-CQSZACIVSA-N 1 1 263.406 3.110 20 10 CGCDMO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2O)[C@@H]1SC ZINC000842924424 635513254 /nfs/dbraw/zinc/51/32/54/635513254.db2.gz QAXJHNFGFYKEEA-VHIFSBLJSA-N 1 1 299.411 3.091 20 10 CGCDMO Oc1c(Cl)cccc1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000843047918 635550274 /nfs/dbraw/zinc/55/02/74/635550274.db2.gz BNINUFUVVSXUHN-GJZGRUSLSA-N 1 1 294.826 3.152 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000843415935 635661271 /nfs/dbraw/zinc/66/12/71/635661271.db2.gz NJZLDKUHYRGRMQ-INIZCTEOSA-N 1 1 287.334 3.185 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@H](c3cccnc3)C2)c1O ZINC000843419073 635665334 /nfs/dbraw/zinc/66/53/34/635665334.db2.gz BFBRMBPJLLFBCM-HNNXBMFYSA-N 1 1 298.386 3.175 20 10 CGCDMO Oc1c(F)cccc1C[NH2+]CC1CCC(F)CC1 ZINC000843432227 635674028 /nfs/dbraw/zinc/67/40/28/635674028.db2.gz KLMMGDMTKPFBCF-UHFFFAOYSA-N 1 1 255.308 3.149 20 10 CGCDMO Cc1cccc(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)c1O ZINC000843431879 635674923 /nfs/dbraw/zinc/67/49/23/635674923.db2.gz MDJQXVMJOWTZTB-AWEZNQCLSA-N 1 1 275.392 3.092 20 10 CGCDMO COc1ccc(N(C)CC[N@@H+](C)CCCCCF)cc1 ZINC000844402263 635891036 /nfs/dbraw/zinc/89/10/36/635891036.db2.gz RCHOPZYPKCRJEU-UHFFFAOYSA-N 1 1 282.403 3.203 20 10 CGCDMO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cc(OC)c(C)cc1O ZINC000844722936 635957441 /nfs/dbraw/zinc/95/74/41/635957441.db2.gz JQWMSDQVIYINBI-CABCVRRESA-N 1 1 293.407 3.099 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(C)cc(OC)c2O)[C@@H](CC)CO1 ZINC000844724827 635957700 /nfs/dbraw/zinc/95/77/00/635957700.db2.gz FGJSOKPGIQSODY-LSDHHAIUSA-N 1 1 293.407 3.099 20 10 CGCDMO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000846013258 636129162 /nfs/dbraw/zinc/12/91/62/636129162.db2.gz JAOGXMKJBCPODJ-JOYOIKCWSA-N 1 1 289.778 3.071 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C2(CCC2)CO1 ZINC000846067231 636140723 /nfs/dbraw/zinc/14/07/23/636140723.db2.gz PEDCOGQSCNIJKJ-CYBMUJFWSA-N 1 1 292.398 3.035 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C2(CCC2)CO1 ZINC000846067231 636140725 /nfs/dbraw/zinc/14/07/25/636140725.db2.gz PEDCOGQSCNIJKJ-CYBMUJFWSA-N 1 1 292.398 3.035 20 10 CGCDMO COc1cc(C[NH2+]Cc2cc(F)cc(F)c2O)ccc1C ZINC000882932557 636468422 /nfs/dbraw/zinc/46/84/22/636468422.db2.gz JDDORZODQPNGON-UHFFFAOYSA-N 1 1 293.313 3.277 20 10 CGCDMO C[C@H]1CC(CC[NH2+]Cc2cc(F)cc(F)c2O)C[C@H](C)O1 ZINC000883113240 636543390 /nfs/dbraw/zinc/54/33/90/636543390.db2.gz NMMVGYGIFVFVQY-QWRGUYRKSA-N 1 1 299.361 3.354 20 10 CGCDMO C[C@]1(C[NH2+]Cc2cc(F)cc(F)c2O)CC1(Cl)Cl ZINC000883134877 636552463 /nfs/dbraw/zinc/55/24/63/636552463.db2.gz MLGLNKHHJSMWDF-LLVKDONJSA-N 1 1 296.144 3.344 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@@H]1CCCCO1 ZINC000883162107 636560753 /nfs/dbraw/zinc/56/07/53/636560753.db2.gz JSTHIQCWUSDEPW-KGLIPLIRSA-N 1 1 285.334 3.108 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000883199724 636581448 /nfs/dbraw/zinc/58/14/48/636581448.db2.gz NJGSIDOALNWDTH-CQSZACIVSA-N 1 1 297.345 3.252 20 10 CGCDMO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1c(O)cccc1Cl ZINC000131260344 636600460 /nfs/dbraw/zinc/60/04/60/636600460.db2.gz LXSUIQTXJSKAER-UHFFFAOYSA-N 1 1 299.798 3.209 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1O ZINC000848889821 636677987 /nfs/dbraw/zinc/67/79/87/636677987.db2.gz MVPGTWRSCNELEL-RHSMWYFYSA-N 1 1 299.418 3.234 20 10 CGCDMO CCc1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)c1O ZINC000848898233 636680691 /nfs/dbraw/zinc/68/06/91/636680691.db2.gz QZGDPLMKJJXADF-ALOPSCKCSA-N 1 1 288.435 3.060 20 10 CGCDMO CCc1cccc(C[NH2+]CC2(CN(C)C)CCCC2)c1O ZINC000848902506 636682819 /nfs/dbraw/zinc/68/28/19/636682819.db2.gz FADYXISOBBRZJX-UHFFFAOYSA-N 1 1 290.451 3.166 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c1O ZINC000848908934 636685592 /nfs/dbraw/zinc/68/55/92/636685592.db2.gz GFHQALVHTQKXIO-HOTGVXAUSA-N 1 1 275.392 3.098 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1O ZINC000848913285 636687477 /nfs/dbraw/zinc/68/74/77/636687477.db2.gz SYMIRJVPXIEMTL-DZGCQCFKSA-N 1 1 281.346 3.432 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000848925099 636697931 /nfs/dbraw/zinc/69/79/31/636697931.db2.gz NLQRTBCSKJCUPK-HNNXBMFYSA-N 1 1 279.355 3.065 20 10 CGCDMO Fc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)c(F)c1F ZINC000850111288 636961353 /nfs/dbraw/zinc/96/13/53/636961353.db2.gz IOSMNGXNCPTKPB-UHFFFAOYSA-N 1 1 293.288 3.329 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1C ZINC000884483079 637040606 /nfs/dbraw/zinc/04/06/06/637040606.db2.gz NCYFWBMKODJSRO-WMLDXEAASA-N 1 1 275.392 3.010 20 10 CGCDMO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)n3ncnc32)cc1 ZINC000850499454 637092050 /nfs/dbraw/zinc/09/20/50/637092050.db2.gz PUGOYABHGIDPQK-XEZPLFJOSA-N 1 1 299.422 3.091 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1c(O)cccc1F ZINC000886493402 637541204 /nfs/dbraw/zinc/54/12/04/637541204.db2.gz JVIUFJWAXZXLHC-LBPRGKRZSA-N 1 1 288.366 3.448 20 10 CGCDMO C[C@@H](CN1CCCCC1)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886501758 637544048 /nfs/dbraw/zinc/54/40/48/637544048.db2.gz XKOAZJGFFAHHKI-STQMWFEESA-N 1 1 280.387 3.056 20 10 CGCDMO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886543152 637570756 /nfs/dbraw/zinc/57/07/56/637570756.db2.gz LGWLGUYWSNKTKV-GYSYKLTISA-N 1 1 293.338 3.287 20 10 CGCDMO COCCC(C)(C)C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886590011 637595080 /nfs/dbraw/zinc/59/50/80/637595080.db2.gz LORYAKDAGNGEDX-NSHDSACASA-N 1 1 269.360 3.245 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1COc2ccccc21)c1c(O)cccc1F ZINC000886610482 637602862 /nfs/dbraw/zinc/60/28/62/637602862.db2.gz BYTQTGALUNTKGC-RYUDHWBXSA-N 1 1 287.334 3.358 20 10 CGCDMO C[C@@H](C[NH2+][C@@H](C)c1c(O)cccc1F)C(=O)OC(C)(C)C ZINC000886633553 637619330 /nfs/dbraw/zinc/61/93/30/637619330.db2.gz YMROKWFDFBTBAX-QWRGUYRKSA-N 1 1 297.370 3.160 20 10 CGCDMO C[C@H](C[NH2+][C@@H](C)c1c(O)cccc1F)C(=O)OC(C)(C)C ZINC000886633552 637619936 /nfs/dbraw/zinc/61/99/36/637619936.db2.gz YMROKWFDFBTBAX-MNOVXSKESA-N 1 1 297.370 3.160 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1c(O)cccc1F ZINC000886635022 637620710 /nfs/dbraw/zinc/62/07/10/637620710.db2.gz STHXXQNVDDRUSP-VXGBXAGGSA-N 1 1 280.387 3.055 20 10 CGCDMO C[C@@H](Cc1ccccn1)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886635167 637620910 /nfs/dbraw/zinc/62/09/10/637620910.db2.gz XSJLMPCHJWTXLO-RYUDHWBXSA-N 1 1 274.339 3.208 20 10 CGCDMO C[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1c(O)cccc1F ZINC000886637638 637622674 /nfs/dbraw/zinc/62/26/74/637622674.db2.gz BCLDOFBRILSYJX-JJMVLAAESA-N 1 1 287.334 3.360 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCC12CCOCC2)c1c(O)cccc1F ZINC000886646960 637626621 /nfs/dbraw/zinc/62/66/21/637626621.db2.gz ZFIXMASHTXWHND-CHWSQXEVSA-N 1 1 293.382 3.389 20 10 CGCDMO Cc1cc(C[N@H+]2CCO[C@](C)(C3CC3)C2)ccc1N(C)C ZINC000852324132 637634987 /nfs/dbraw/zinc/63/49/87/637634987.db2.gz HKKPMNSMUSFMEU-SFHVURJKSA-N 1 1 288.435 3.062 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]3COC[C@H]3C2)cc1C(C)C ZINC000853585614 637870316 /nfs/dbraw/zinc/87/03/16/637870316.db2.gz HSFKYWRXAKVSOE-GOEBONIOSA-N 1 1 289.419 3.292 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)cc1C ZINC000853629837 637876400 /nfs/dbraw/zinc/87/64/00/637876400.db2.gz LSOCYTTUQIJMBQ-WBMJQRKESA-N 1 1 299.361 3.254 20 10 CGCDMO CCN(CC)c1ccc(C[NH2+][C@H](C)c2nonc2C)cc1 ZINC000924711917 638392898 /nfs/dbraw/zinc/39/28/98/638392898.db2.gz XTCMTVCOVYOFQK-GFCCVEGCSA-N 1 1 288.395 3.075 20 10 CGCDMO C[C@H]([NH2+]C[C@]1(C)CCCCO1)c1c(O)cccc1F ZINC000927014541 638831565 /nfs/dbraw/zinc/83/15/65/638831565.db2.gz OHZGGUBSVMDVLX-NHYWBVRUSA-N 1 1 267.344 3.141 20 10 CGCDMO COc1cccc2c1C[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC000859939861 639259412 /nfs/dbraw/zinc/25/94/12/639259412.db2.gz RQTORAWAPHZDEM-UHFFFAOYSA-N 1 1 282.387 3.277 20 10 CGCDMO COc1cccc2c1C[N@@H+](Cc1ccc(N(C)C)cc1)C2 ZINC000859939861 639259422 /nfs/dbraw/zinc/25/94/22/639259422.db2.gz RQTORAWAPHZDEM-UHFFFAOYSA-N 1 1 282.387 3.277 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C2CC2)C2CCCC2)cc1OC ZINC000158861002 640021757 /nfs/dbraw/zinc/02/17/57/640021757.db2.gz LVROCUPDKZOKQF-UHFFFAOYSA-N 1 1 291.391 3.316 20 10 CGCDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(C)ccc1O ZINC000187995055 640112686 /nfs/dbraw/zinc/11/26/86/640112686.db2.gz PNRSQGXRTYTSES-SFHVURJKSA-N 1 1 299.414 3.390 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)OC(C)(C)C ZINC000076074243 640173425 /nfs/dbraw/zinc/17/34/25/640173425.db2.gz ZENIXDDPHVIVBK-ZDUSSCGKSA-N 1 1 293.407 3.334 20 10 CGCDMO COc1cc(C[N@H+]2CCS[C@H](C)CC2)c(O)cc1C ZINC000191672261 640326694 /nfs/dbraw/zinc/32/66/94/640326694.db2.gz JJDYXXUTSAMHNZ-GFCCVEGCSA-N 1 1 281.421 3.037 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000092586216 640740925 /nfs/dbraw/zinc/74/09/25/640740925.db2.gz POFXACPLAMFAAU-MRXNPFEDSA-N 1 1 288.435 3.145 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@H](N3CCCC3)C2)c1 ZINC000092785801 640746031 /nfs/dbraw/zinc/74/60/31/640746031.db2.gz IITHZLTYCOJQNI-KRWDZBQOSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1ccc(O)c(CN2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000092785801 640746038 /nfs/dbraw/zinc/74/60/38/640746038.db2.gz IITHZLTYCOJQNI-KRWDZBQOSA-N 1 1 288.435 3.151 20 10 CGCDMO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)N1CCC[C@@H](C)C1 ZINC000248517221 640765258 /nfs/dbraw/zinc/76/52/58/640765258.db2.gz PFVBSZQSNRYSFM-MCIONIFRSA-N 1 1 294.414 3.302 20 10 CGCDMO Cc1nn(C)cc1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000093319218 640768317 /nfs/dbraw/zinc/76/83/17/640768317.db2.gz JJLMZQSDYYDRQK-UHFFFAOYSA-N 1 1 299.418 3.379 20 10 CGCDMO C[NH+](C)CC1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000119908164 641044911 /nfs/dbraw/zinc/04/49/11/641044911.db2.gz MKEVBCVLHSQKGH-UHFFFAOYSA-N 1 1 296.842 3.256 20 10 CGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CCOC2(CCC2)C1 ZINC001254019635 806331237 /nfs/dbraw/zinc/33/12/37/806331237.db2.gz WGFZUVVDIYMHJO-UHFFFAOYSA-N 1 1 286.419 3.042 20 10 CGCDMO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCCN(C)CC1 ZINC001254529094 806442731 /nfs/dbraw/zinc/44/27/31/806442731.db2.gz CVCBGAQNKBJNHR-SFHVURJKSA-N 1 1 289.467 3.059 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCCN(C)CC1 ZINC001254529094 806442735 /nfs/dbraw/zinc/44/27/35/806442735.db2.gz CVCBGAQNKBJNHR-SFHVURJKSA-N 1 1 289.467 3.059 20 10 CGCDMO C[C@H](NCCC[NH+]1CCCCC1)c1ccc(N(C)C)cc1 ZINC000037229272 798861721 /nfs/dbraw/zinc/86/17/21/798861721.db2.gz LOSDCXULTZICEA-INIZCTEOSA-N 1 1 289.467 3.279 20 10 CGCDMO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc(N(C)C)cc1 ZINC000037229272 798861730 /nfs/dbraw/zinc/86/17/30/798861730.db2.gz LOSDCXULTZICEA-INIZCTEOSA-N 1 1 289.467 3.279 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000163369399 799082264 /nfs/dbraw/zinc/08/22/64/799082264.db2.gz LWICZXJQHKBDEI-SFHVURJKSA-N 1 1 289.467 3.059 20 10 CGCDMO CN(C)c1ccc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000163369399 799082289 /nfs/dbraw/zinc/08/22/89/799082289.db2.gz LWICZXJQHKBDEI-SFHVURJKSA-N 1 1 289.467 3.059 20 10 CGCDMO CN(C)c1ccc(CN(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000163369399 799082299 /nfs/dbraw/zinc/08/22/99/799082299.db2.gz LWICZXJQHKBDEI-SFHVURJKSA-N 1 1 289.467 3.059 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](Cc2ccccc2)CC(C)(C)O)c1 ZINC000181145568 799112121 /nfs/dbraw/zinc/11/21/21/799112121.db2.gz DYHYWAPZBZLGOX-UHFFFAOYSA-N 1 1 299.414 3.474 20 10 CGCDMO CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1ccccc1O ZINC000305826074 799213289 /nfs/dbraw/zinc/21/32/89/799213289.db2.gz MRIPNRNCDDIQQB-UHFFFAOYSA-N 1 1 285.387 3.165 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccc(F)cc1O ZINC000397982271 799524262 /nfs/dbraw/zinc/52/42/62/799524262.db2.gz SBHDTCZWQYRGEC-KKZNHRDASA-N 1 1 255.358 3.076 20 10 CGCDMO CC[C@@H]1C[N@H+](Cc2cccc(C)c2O)C[C@H](CC)O1 ZINC000398797946 799533094 /nfs/dbraw/zinc/53/30/94/799533094.db2.gz SHGCFODIJJJCRF-GASCZTMLSA-N 1 1 263.381 3.090 20 10 CGCDMO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cc(C)ccc1O ZINC000403823566 799572554 /nfs/dbraw/zinc/57/25/54/799572554.db2.gz LZGKNWAIFQZQSH-AWEZNQCLSA-N 1 1 263.381 3.090 20 10 CGCDMO CC[C@@H](C)[N@@H+](C)Cc1ccc(Br)cc1O ZINC000691734005 799786351 /nfs/dbraw/zinc/78/63/51/799786351.db2.gz LZCWWXRGJWDXFS-SECBINFHSA-N 1 1 272.186 3.385 20 10 CGCDMO C[C@@H](Cc1ccsc1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708534855 799990564 /nfs/dbraw/zinc/99/05/64/799990564.db2.gz FHVRFQZOUHMBEZ-VIFPVBQESA-N 1 1 283.343 3.453 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](CF)C2)c1O ZINC000711501228 800064918 /nfs/dbraw/zinc/06/49/18/800064918.db2.gz ZETDTIZOWYRTKW-SNVBAGLBSA-N 1 1 287.762 3.236 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c1 ZINC001118531350 802580268 /nfs/dbraw/zinc/58/02/68/802580268.db2.gz DEBIGRHMYYDBNM-KGLIPLIRSA-N 1 1 263.381 3.008 20 10 CGCDMO Nc1ccc(C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC001120371429 802742201 /nfs/dbraw/zinc/74/22/01/802742201.db2.gz YMYRODZBFWEKML-MRXNPFEDSA-N 1 1 284.378 3.473 20 10 CGCDMO CCC1(CC)C[N@@H+](Cc2ccc(N)cc2)CCS1 ZINC001120371335 802742896 /nfs/dbraw/zinc/74/28/96/802742896.db2.gz VXIGHUGQBZXIGN-UHFFFAOYSA-N 1 1 264.438 3.376 20 10 CGCDMO CCOc1cccc(C[N@@H+](CC2CC2)C2CC2)c1O ZINC001203615223 812406703 /nfs/dbraw/zinc/40/67/03/812406703.db2.gz NMIJKYGQQZVBHS-UHFFFAOYSA-N 1 1 261.365 3.165 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC[C@H](CSC)C2)c(O)c1 ZINC001205998658 813159178 /nfs/dbraw/zinc/15/91/78/813159178.db2.gz ORNBDTZRLMJWLM-ZDUSSCGKSA-N 1 1 295.448 3.284 20 10 CGCDMO CC[N@@H+](Cc1ccc2[nH]cnc2c1)Cc1ccccc1O ZINC001137047681 803674225 /nfs/dbraw/zinc/67/42/25/803674225.db2.gz GAUBBAJGLCAYOM-UHFFFAOYSA-N 1 1 281.359 3.291 20 10 CGCDMO CC[N@H+](Cc1ccc2nc[nH]c2c1)Cc1ccccc1O ZINC001137047681 803674227 /nfs/dbraw/zinc/67/42/27/803674227.db2.gz GAUBBAJGLCAYOM-UHFFFAOYSA-N 1 1 281.359 3.291 20 10 CGCDMO CC[N@@H+](Cc1ccc2nc[nH]c2c1)Cc1ccccc1O ZINC001137047681 803674230 /nfs/dbraw/zinc/67/42/30/803674230.db2.gz GAUBBAJGLCAYOM-UHFFFAOYSA-N 1 1 281.359 3.291 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1cccc3cccnc31)CC2 ZINC001137177879 803694404 /nfs/dbraw/zinc/69/44/04/803694404.db2.gz CTRAECAMHNETJE-UHFFFAOYSA-N 1 1 290.366 3.499 20 10 CGCDMO Cn1ccc2c1cc[nH+]c2-c1cn(C)c2cnccc12 ZINC001245484307 803760841 /nfs/dbraw/zinc/76/08/41/803760841.db2.gz BOWUYDBOERWLAK-UHFFFAOYSA-N 1 1 262.316 3.127 20 10 CGCDMO Cc1cc(C[N@H+]2CCCC23COC3)c(C)n1-c1ccccc1 ZINC001137857694 803785960 /nfs/dbraw/zinc/78/59/60/803785960.db2.gz KUKZHHBPBINBSE-UHFFFAOYSA-N 1 1 296.414 3.459 20 10 CGCDMO Cc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c(C)n1-c1ccccc1 ZINC001137859281 803787978 /nfs/dbraw/zinc/78/79/78/803787978.db2.gz RGEUAOPFEREXNM-HDICACEKSA-N 1 1 282.387 3.067 20 10 CGCDMO Cc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c(C)n1-c1ccccc1 ZINC001137859281 803787981 /nfs/dbraw/zinc/78/79/81/803787981.db2.gz RGEUAOPFEREXNM-HDICACEKSA-N 1 1 282.387 3.067 20 10 CGCDMO Cc1c(C[N@H+]2CCCC(=O)[C@@H](C)C2)c2ccccc2n1C ZINC001138252963 803882013 /nfs/dbraw/zinc/88/20/13/803882013.db2.gz YGHOKTRYTPKUJZ-ZDUSSCGKSA-N 1 1 284.403 3.288 20 10 CGCDMO Cc1c(CN2CC[C@@H]([N@H+](C)C(C)C)C2)c2ccccc2n1C ZINC001138259741 803883526 /nfs/dbraw/zinc/88/35/26/803883526.db2.gz NDWDQUWHYMQHKF-MRXNPFEDSA-N 1 1 299.462 3.401 20 10 CGCDMO Cc1c(C[N@H+]2CC[C@@H](N(C)C(C)C)C2)c2ccccc2n1C ZINC001138259741 803883535 /nfs/dbraw/zinc/88/35/35/803883535.db2.gz NDWDQUWHYMQHKF-MRXNPFEDSA-N 1 1 299.462 3.401 20 10 CGCDMO Cc1c(C[N@@H+]2CC[C@@H](N(C)C(C)C)C2)c2ccccc2n1C ZINC001138259741 803883539 /nfs/dbraw/zinc/88/35/39/803883539.db2.gz NDWDQUWHYMQHKF-MRXNPFEDSA-N 1 1 299.462 3.401 20 10 CGCDMO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccnc1F ZINC001138791264 804039909 /nfs/dbraw/zinc/03/99/09/804039909.db2.gz WQKMHUTYYLNJJN-UHFFFAOYSA-N 1 1 287.382 3.309 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccnc1F ZINC001138791264 804039915 /nfs/dbraw/zinc/03/99/15/804039915.db2.gz WQKMHUTYYLNJJN-UHFFFAOYSA-N 1 1 287.382 3.309 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc(Cl)n2)cc1 ZINC001139552153 804205046 /nfs/dbraw/zinc/20/50/46/804205046.db2.gz HJHYTMBSYHVGBY-UHFFFAOYSA-N 1 1 289.810 3.433 20 10 CGCDMO CC[N@H+](Cc1ncc(C)s1)Cc1ccccc1O ZINC001139812574 804287342 /nfs/dbraw/zinc/28/73/42/804287342.db2.gz FACGOGPPANRUHW-UHFFFAOYSA-N 1 1 262.378 3.179 20 10 CGCDMO CC[N@@H+](Cc1ncc(C)s1)Cc1ccccc1O ZINC001139812574 804287347 /nfs/dbraw/zinc/28/73/47/804287347.db2.gz FACGOGPPANRUHW-UHFFFAOYSA-N 1 1 262.378 3.179 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC001140463114 804441289 /nfs/dbraw/zinc/44/12/89/804441289.db2.gz SRPDOYOUKFRMAN-HNNXBMFYSA-N 1 1 281.783 3.048 20 10 CGCDMO COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140467866 804443524 /nfs/dbraw/zinc/44/35/24/804443524.db2.gz XSKJAYRSAJWJQZ-CJNGLKHVSA-N 1 1 295.810 3.294 20 10 CGCDMO Oc1cc(Cl)ccc1C[NH+]1CC2(C1)C[C@@H](F)CS2 ZINC001140466053 804444100 /nfs/dbraw/zinc/44/41/00/804444100.db2.gz VPKDHPRSICGCME-LLVKDONJSA-N 1 1 287.787 3.075 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2c([O-])cc(F)cc2F)C2(CC2)C1 ZINC001140584626 804468213 /nfs/dbraw/zinc/46/82/13/804468213.db2.gz ZQHPPLRNQUBCJU-SECBINFHSA-N 1 1 253.292 3.045 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](F)C(F)(F)CC2)c1 ZINC001140617332 804476837 /nfs/dbraw/zinc/47/68/37/804476837.db2.gz NMILHLLKIANWPR-ZDUSSCGKSA-N 1 1 273.298 3.270 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1 ZINC001140619540 804477086 /nfs/dbraw/zinc/47/70/86/804477086.db2.gz GWCCKVPQJYDXME-BETUJISGSA-N 1 1 267.319 3.178 20 10 CGCDMO Cc1c(O)ccc(C[N@@H+](C)Cc2cccs2)c1O ZINC001140745752 804503191 /nfs/dbraw/zinc/50/31/91/804503191.db2.gz NCPHZIKLZQDLGY-UHFFFAOYSA-N 1 1 263.362 3.100 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c1O ZINC001140745965 804503235 /nfs/dbraw/zinc/50/32/35/804503235.db2.gz QVAPELWZOFBWOA-MRXNPFEDSA-N 1 1 299.370 3.060 20 10 CGCDMO Oc1cc(Cl)cc(C[N@@H+]2CCc3cccc(O)c3C2)c1 ZINC001140790717 804514747 /nfs/dbraw/zinc/51/47/47/804514747.db2.gz ILYWBDVSXXKAPQ-UHFFFAOYSA-N 1 1 289.762 3.310 20 10 CGCDMO Oc1cc(Cl)cc(C[N@H+]2CCc3cccc(O)c3C2)c1 ZINC001140790717 804514753 /nfs/dbraw/zinc/51/47/53/804514753.db2.gz ILYWBDVSXXKAPQ-UHFFFAOYSA-N 1 1 289.762 3.310 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)CC2CCOCC2)c(Cl)c1 ZINC001140921693 804548532 /nfs/dbraw/zinc/54/85/32/804548532.db2.gz NGEINDHFESOEDH-UHFFFAOYSA-N 1 1 296.842 3.264 20 10 CGCDMO CC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140924119 804550785 /nfs/dbraw/zinc/55/07/85/804550785.db2.gz DVVVZRVWUIEIHR-CYBMUJFWSA-N 1 1 294.826 3.207 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c(Cl)c1 ZINC001140924397 804551048 /nfs/dbraw/zinc/55/10/48/804551048.db2.gz IGIKNULYGPPUKW-ZSOGYDGISA-N 1 1 282.790 3.053 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c(Cl)c1 ZINC001140924690 804551110 /nfs/dbraw/zinc/55/11/10/804551110.db2.gz MMAHYAGAZNAMOT-CJNGLKHVSA-N 1 1 294.826 3.017 20 10 CGCDMO Cc1ccc(C[N@@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c(O)c1 ZINC001140947713 804556014 /nfs/dbraw/zinc/55/60/14/804556014.db2.gz CACAVOIHNVYKAA-IRXDYDNUSA-N 1 1 293.366 3.113 20 10 CGCDMO CC[N@@H+](Cc1c[nH]nc1C(F)(F)F)Cc1ccccc1O ZINC001141016561 804571996 /nfs/dbraw/zinc/57/19/96/804571996.db2.gz IHGFCYAPWBJVLV-UHFFFAOYSA-N 1 1 299.296 3.156 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC[C@H](C)C[C@H]2C)c(OC)c1 ZINC001141028066 804572493 /nfs/dbraw/zinc/57/24/93/804572493.db2.gz AACJKJZHJPCNIQ-NWDGAFQWSA-N 1 1 279.380 3.030 20 10 CGCDMO c1c(C[N@H+]2CCC[C@@H]3C[C@@H]32)cc2c3c1CCCN3CCC2 ZINC001141078062 804585716 /nfs/dbraw/zinc/58/57/16/804585716.db2.gz JHRWOXMOLSJOFI-QAPCUYQASA-N 1 1 282.431 3.370 20 10 CGCDMO Cc1ccc(CC[N@H+](C)Cc2cc(O)ccc2O)cc1 ZINC001141159201 804600629 /nfs/dbraw/zinc/60/06/29/804600629.db2.gz BYGWSRBQHFQPGO-UHFFFAOYSA-N 1 1 271.360 3.081 20 10 CGCDMO CC[C@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142524588 804731779 /nfs/dbraw/zinc/73/17/79/804731779.db2.gz BZHUYVRVTCMLJE-NSHDSACASA-N 1 1 255.308 3.435 20 10 CGCDMO CC[C@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142524588 804731781 /nfs/dbraw/zinc/73/17/81/804731781.db2.gz BZHUYVRVTCMLJE-NSHDSACASA-N 1 1 255.308 3.435 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)CC[C@@H]1O ZINC001143103389 804802007 /nfs/dbraw/zinc/80/20/07/804802007.db2.gz BSQRAHGWGDFDSR-BBRMVZONSA-N 1 1 291.435 3.283 20 10 CGCDMO Cc1[nH+]cc2n1CCN(Cc1cccc(C(C)(C)C)c1O)C2 ZINC001143105451 804803848 /nfs/dbraw/zinc/80/38/48/804803848.db2.gz WKPJUDRMOFCNDP-UHFFFAOYSA-N 1 1 299.418 3.210 20 10 CGCDMO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c1O ZINC001143111669 804804222 /nfs/dbraw/zinc/80/42/22/804804222.db2.gz DYLIAXWBXVMCPU-OAHLLOKOSA-N 1 1 291.435 3.425 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@H]1CCCC12CCOCC2 ZINC001167735197 807236650 /nfs/dbraw/zinc/23/66/50/807236650.db2.gz UZKOMLXMURLJED-MRXNPFEDSA-N 1 1 289.419 3.421 20 10 CGCDMO Oc1c(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc(Cl)c2cccnc12 ZINC001167903041 807270136 /nfs/dbraw/zinc/27/01/36/807270136.db2.gz RTGSPXQHRUHLHM-PEGIJTEDSA-N 1 1 288.778 3.482 20 10 CGCDMO COc1ccc2c(c1)c1c(n2C)CC[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167940767 807278342 /nfs/dbraw/zinc/27/83/42/807278342.db2.gz SFQLIYLODVJZCX-BTTYYORXSA-N 1 1 296.414 3.344 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H]1COC(C)(C)C1 ZINC001172294271 808218830 /nfs/dbraw/zinc/21/88/30/808218830.db2.gz XGNUHQIZMAEMNQ-MRXNPFEDSA-N 1 1 276.424 3.142 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@@H](C)CCCCC(=O)OC ZINC001173459850 808641437 /nfs/dbraw/zinc/64/14/37/808641437.db2.gz GAOAHKOIDXOGOJ-AWEZNQCLSA-N 1 1 293.407 3.336 20 10 CGCDMO C[N@H+]1CCC=C(Nc2ccccc2Cc2ccc(N)cc2)C1 ZINC001175580690 809461925 /nfs/dbraw/zinc/46/19/25/809461925.db2.gz QBSWPDOBWWIGMQ-UHFFFAOYSA-N 1 1 293.414 3.491 20 10 CGCDMO COc1cc(C)c(C[NH2+]Cc2ncc(Cl)s2)c(O)c1 ZINC001183671369 810156403 /nfs/dbraw/zinc/15/64/03/810156403.db2.gz HIONAPJNQWBEAB-UHFFFAOYSA-N 1 1 298.795 3.109 20 10 CGCDMO COc1ccc(C[N@H+](C)Cc2cnc(Cl)s2)c(O)c1 ZINC001203620816 812409486 /nfs/dbraw/zinc/40/94/86/812409486.db2.gz JDJSYNIIEXMHOJ-UHFFFAOYSA-N 1 1 298.795 3.143 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2cnc(Cl)s2)c(O)c1 ZINC001203620816 812409488 /nfs/dbraw/zinc/40/94/88/812409488.db2.gz JDJSYNIIEXMHOJ-UHFFFAOYSA-N 1 1 298.795 3.143 20 10 CGCDMO Oc1ccc(Br)cc1C[N@H+]1CCC2(CC2)C1 ZINC001203636374 812412539 /nfs/dbraw/zinc/41/25/39/812412539.db2.gz VRLMJYLUDDTJJO-UHFFFAOYSA-N 1 1 282.181 3.141 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCC[C@@]1(C)O ZINC001203650842 812414801 /nfs/dbraw/zinc/41/48/01/812414801.db2.gz FIHJXGXSJFROIO-XHDPSFHLSA-N 1 1 283.799 3.029 20 10 CGCDMO Oc1ccc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)cc1O ZINC001203878743 812477925 /nfs/dbraw/zinc/47/79/25/812477925.db2.gz BDEURLXUKMNGNB-OKILXGFUSA-N 1 1 281.355 3.185 20 10 CGCDMO C[N@@H+](CC/C=C/c1cccnc1)Cc1ccc(O)c(O)c1 ZINC001203879108 812478509 /nfs/dbraw/zinc/47/85/09/812478509.db2.gz FKQQOZNSTFETRB-GORDUTHDSA-N 1 1 284.359 3.028 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(O)c(O)c2)Cc2ccccc21 ZINC001203875150 812478851 /nfs/dbraw/zinc/47/88/51/812478851.db2.gz IWZLBWTUVUMZLU-LBPRGKRZSA-N 1 1 269.344 3.217 20 10 CGCDMO C[N@@H+](Cc1ccc(O)c(O)c1)C12CC3CC(CC(C3)C1)C2 ZINC001203878090 812478878 /nfs/dbraw/zinc/47/88/78/812478878.db2.gz BCGAISYWEMLNLA-UHFFFAOYSA-N 1 1 287.403 3.498 20 10 CGCDMO Oc1ccc(C[N@H+]2CCCc3ccccc3C2)cc1O ZINC001203882189 812479486 /nfs/dbraw/zinc/47/94/86/812479486.db2.gz GARUHSWCHWUUCD-UHFFFAOYSA-N 1 1 269.344 3.046 20 10 CGCDMO CC[N@H+](Cc1ccc(O)c(O)c1)Cc1cccc(F)c1F ZINC001203881867 812479840 /nfs/dbraw/zinc/47/98/40/812479840.db2.gz VYUDIOARUGZEHV-UHFFFAOYSA-N 1 1 293.313 3.398 20 10 CGCDMO CC[N@@H+](Cc1ccc(O)c(O)c1)Cc1cccc(F)c1F ZINC001203881867 812479841 /nfs/dbraw/zinc/47/98/41/812479841.db2.gz VYUDIOARUGZEHV-UHFFFAOYSA-N 1 1 293.313 3.398 20 10 CGCDMO Oc1ccc(C[N@H+]2CCC3(C2)CCCCC3)cc1O ZINC001203884564 812480101 /nfs/dbraw/zinc/48/01/01/812480101.db2.gz VBNMZDSIJXGCSU-UHFFFAOYSA-N 1 1 261.365 3.254 20 10 CGCDMO Cc1cccc(C[N@H+]2CCc3cccc(O)c3C2)c1 ZINC001203892460 812483266 /nfs/dbraw/zinc/48/32/66/812483266.db2.gz MUTNLORELZGEKW-UHFFFAOYSA-N 1 1 253.345 3.259 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2CCC(=O)C[C@@H]2C)cc1 ZINC001203936129 812496381 /nfs/dbraw/zinc/49/63/81/812496381.db2.gz JMNSHMAAIHWJQB-AWEZNQCLSA-N 1 1 274.408 3.086 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC(=O)C[C@@H]2C)cc1 ZINC001203936129 812496387 /nfs/dbraw/zinc/49/63/87/812496387.db2.gz JMNSHMAAIHWJQB-AWEZNQCLSA-N 1 1 274.408 3.086 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@](C)(CO)C2)c2ccccc21 ZINC001204233645 812579924 /nfs/dbraw/zinc/57/99/24/812579924.db2.gz UDAOTWGVCPDPHQ-IBGZPJMESA-N 1 1 298.430 3.110 20 10 CGCDMO CN(C)c1ccc(C[NH+]2CC3(C2)CCCO3)c2ccccc21 ZINC001204235021 812582384 /nfs/dbraw/zinc/58/23/84/812582384.db2.gz CSOAYYDUZBLEFK-UHFFFAOYSA-N 1 1 296.414 3.271 20 10 CGCDMO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204241813 812583001 /nfs/dbraw/zinc/58/30/01/812583001.db2.gz JAFRXSHWJXSZHN-GDBMZVCRSA-N 1 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NKWAZKQMBPILMQ-UHFFFAOYSA-N 1 1 295.354 3.406 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(F)cn1 ZINC001207044398 813473488 /nfs/dbraw/zinc/47/34/88/813473488.db2.gz WBSCIMNWQDSXHL-UHFFFAOYSA-N 1 1 287.382 3.309 20 10 CGCDMO CC[N@@H+](CC[C@@H](C)SC)Cc1ccccc1O ZINC001208152415 813710642 /nfs/dbraw/zinc/71/06/42/813710642.db2.gz HFDKONDQRBWPNP-GFCCVEGCSA-N 1 1 253.411 3.356 20 10 CGCDMO Oc1ccc2ccccc2c1CN1CCC[C@@]12CCC[NH2+]C2 ZINC001222250062 816386189 /nfs/dbraw/zinc/38/61/89/816386189.db2.gz ZLTBENJJJZYEHX-LJQANCHMSA-N 1 1 296.414 3.263 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@@H+]1C[C@@H](F)C[C@H]1CF ZINC001231588371 818128833 /nfs/dbraw/zinc/12/88/33/818128833.db2.gz PXLSENSBKUGQCK-STQMWFEESA-N 1 1 277.314 3.427 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1C[C@@H](F)C[C@H]1CF ZINC001231588371 818128837 /nfs/dbraw/zinc/12/88/37/818128837.db2.gz PXLSENSBKUGQCK-STQMWFEESA-N 1 1 277.314 3.427 20 10 CGCDMO CC(C)N(C)[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001231589303 818129643 /nfs/dbraw/zinc/12/96/43/818129643.db2.gz GAHDBZIGJJWIKX-MRXNPFEDSA-N 1 1 298.430 3.460 20 10 CGCDMO Cc1cccc(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c1O ZINC001231591411 818131286 /nfs/dbraw/zinc/13/12/86/818131286.db2.gz CGSFGRUKKOHUDD-YPMHNXCESA-N 1 1 267.319 3.178 20 10 CGCDMO CC[N@@H+](Cc1cccs1)Cc1cc(OC)c(O)cc1O ZINC001231638889 818143847 /nfs/dbraw/zinc/14/38/47/818143847.db2.gz IIJTXVRGCRHIGA-UHFFFAOYSA-N 1 1 293.388 3.190 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c(O)c1 ZINC001231841465 818186326 /nfs/dbraw/zinc/18/63/26/818186326.db2.gz BDBPRYUFECLRQR-WMLDXEAASA-N 1 1 275.392 3.010 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@H](N3CCCCC3)C2)c(O)c1 ZINC001231845747 818187301 /nfs/dbraw/zinc/18/73/01/818187301.db2.gz RPZYUAMSKGREQW-INIZCTEOSA-N 1 1 288.435 3.069 20 10 CGCDMO Cc1cc(C)c(CN2CC[C@H]([NH+]3CCCCC3)C2)c(O)c1 ZINC001231845747 818187305 /nfs/dbraw/zinc/18/73/05/818187305.db2.gz RPZYUAMSKGREQW-INIZCTEOSA-N 1 1 288.435 3.069 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@]3(CC3(F)F)C2)c(O)c1 ZINC001231846546 818187456 /nfs/dbraw/zinc/18/74/56/818187456.db2.gz NXSUNCZQRIOTIR-AWEZNQCLSA-N 1 1 267.319 3.240 20 10 CGCDMO Cc1noc([C@@H]2CCC[N@H+]2Cc2c(C)cc(C)cc2O)n1 ZINC001231849119 818189155 /nfs/dbraw/zinc/18/91/55/818189155.db2.gz NFFIAUQKXCBZGN-AWEZNQCLSA-N 1 1 287.363 3.038 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@H](F)C[C@H]2C)cc1Cl ZINC001231869255 818193470 /nfs/dbraw/zinc/19/34/70/818193470.db2.gz NSDZXDWZNWSWHM-MWLCHTKSSA-N 1 1 257.736 3.286 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@H](F)C[C@H]2C)cc1Cl ZINC001231869255 818193473 /nfs/dbraw/zinc/19/34/73/818193473.db2.gz NSDZXDWZNWSWHM-MWLCHTKSSA-N 1 1 257.736 3.286 20 10 CGCDMO C[C@]1(O)CCCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231879530 818198842 /nfs/dbraw/zinc/19/88/42/818198842.db2.gz HDUQNBHCCZLJRF-SFHVURJKSA-N 1 1 285.387 3.282 20 10 CGCDMO C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1ccc2ccccc2c1O ZINC001231879237 818199620 /nfs/dbraw/zinc/19/96/20/818199620.db2.gz AYEWPZQJWMSPBO-ZIAGYGMSSA-N 1 1 285.387 3.138 20 10 CGCDMO O=C1CC[N@@H+](Cc2ccc3ccccc3c2O)CC[C@H]1F ZINC001231879497 818200472 /nfs/dbraw/zinc/20/04/72/818200472.db2.gz FNYDZJFDEUPHHV-OAHLLOKOSA-N 1 1 287.334 3.048 20 10 CGCDMO COCC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232261391 818295641 /nfs/dbraw/zinc/29/56/41/818295641.db2.gz GFKFWYYXKCYYRC-LBPRGKRZSA-N 1 1 299.798 3.142 20 10 CGCDMO C[N@@H+](Cc1cc2ccoc2cn1)Cc1ccccc1O ZINC001232554265 818384599 /nfs/dbraw/zinc/38/45/99/818384599.db2.gz OUKDTPLGSOKCHV-UHFFFAOYSA-N 1 1 268.316 3.165 20 10 CGCDMO Cc1cccc(CC[N@H+](C)Cc2ccc(N(C)C)cc2O)c1 ZINC001232839310 818453761 /nfs/dbraw/zinc/45/37/61/818453761.db2.gz FSTCBMGCOJOGRS-UHFFFAOYSA-N 1 1 298.430 3.441 20 10 CGCDMO C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(F)c(F)c1[O-] ZINC001233073727 818517631 /nfs/dbraw/zinc/51/76/31/818517631.db2.gz CHGGJGZXOXUBQX-UHFFFAOYSA-N 1 1 281.277 3.442 20 10 CGCDMO CN1CCC([N@@H+](C)Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001233283441 818565818 /nfs/dbraw/zinc/56/58/18/818565818.db2.gz HCOOFLWCXGZOSX-UHFFFAOYSA-N 1 1 290.451 3.216 20 10 CGCDMO CC[N@@H+](CCN(C)C)Cc1cc(C(C)(C)C)ccc1O ZINC001233283451 818565961 /nfs/dbraw/zinc/56/59/61/818565961.db2.gz HKGWTTSGERMYLX-UHFFFAOYSA-N 1 1 278.440 3.073 20 10 CGCDMO CCN(CC[NH+](C)C)Cc1cc(C(C)(C)C)ccc1O ZINC001233283451 818565968 /nfs/dbraw/zinc/56/59/68/818565968.db2.gz HKGWTTSGERMYLX-UHFFFAOYSA-N 1 1 278.440 3.073 20 10 CGCDMO C[C@@H]1CC(=O)CC[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233284197 818566131 /nfs/dbraw/zinc/56/61/31/818566131.db2.gz LYDSRYLUASIXJM-GFCCVEGCSA-N 1 1 275.392 3.243 20 10 CGCDMO C[C@@H]1CC(=O)CC[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233284197 818566134 /nfs/dbraw/zinc/56/61/34/818566134.db2.gz LYDSRYLUASIXJM-GFCCVEGCSA-N 1 1 275.392 3.243 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)ccc2O)CCCO1 ZINC001233284339 818568760 /nfs/dbraw/zinc/56/87/60/818568760.db2.gz QVKWDHQDRFIKPV-CYBMUJFWSA-N 1 1 277.408 3.301 20 10 CGCDMO C[N@H+](CCOc1ccccc1)Cc1c(O)ccc(F)c1F ZINC001233334774 818583793 /nfs/dbraw/zinc/58/37/93/818583793.db2.gz SOLJSGFRBJMPCZ-UHFFFAOYSA-N 1 1 293.313 3.181 20 10 CGCDMO C[N@@H+](CCOc1ccccc1)Cc1c(O)ccc(F)c1F ZINC001233334774 818583799 /nfs/dbraw/zinc/58/37/99/818583799.db2.gz SOLJSGFRBJMPCZ-UHFFFAOYSA-N 1 1 293.313 3.181 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)c(O)c1 ZINC001235677759 819138875 /nfs/dbraw/zinc/13/88/75/819138875.db2.gz HLCFBYVNDNSXTD-MRXNPFEDSA-N 1 1 289.419 3.301 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2O)[C@@H](C)CO1 ZINC001235682316 819139576 /nfs/dbraw/zinc/13/95/76/819139576.db2.gz WNZQPPYDVDCTIQ-QWHCGFSZSA-N 1 1 277.408 3.299 20 10 CGCDMO CC[C@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)CCN1 ZINC001235723843 819151500 /nfs/dbraw/zinc/15/15/00/819151500.db2.gz JUHBSPPXYKBTGT-INIZCTEOSA-N 1 1 297.446 3.090 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)CCN1 ZINC001235723843 819151501 /nfs/dbraw/zinc/15/15/01/819151501.db2.gz JUHBSPPXYKBTGT-INIZCTEOSA-N 1 1 297.446 3.090 20 10 CGCDMO CCc1ccc(CN(CC(C)C)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001236474738 819492364 /nfs/dbraw/zinc/49/23/64/819492364.db2.gz MLQONJPNUQECAE-QGZVFWFLSA-N 1 1 290.451 3.165 20 10 CGCDMO CCc1ccc(C[N@H+]2CC[C@@]3(C2)CCCCO3)c(O)c1 ZINC001236786960 819594959 /nfs/dbraw/zinc/59/49/59/819594959.db2.gz SWPSKLHMEGLRDD-QGZVFWFLSA-N 1 1 275.392 3.100 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)CC2CCC2)c(Cl)c1 ZINC001236798631 819600082 /nfs/dbraw/zinc/60/00/82/819600082.db2.gz GVBQOVALBJFJTK-UHFFFAOYSA-N 1 1 269.772 3.286 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC[C@](C)(F)CC2)c(O)c1 ZINC001236808072 819601163 /nfs/dbraw/zinc/60/11/63/819601163.db2.gz LPARLCSWKOQNGL-INIZCTEOSA-N 1 1 281.371 3.423 20 10 CGCDMO COc1cc(O)c(C[N@@H+](CC2CC2)C2CC2)c(Cl)c1 ZINC001236806987 819602421 /nfs/dbraw/zinc/60/24/21/819602421.db2.gz CTWDVSQEFVFTBI-UHFFFAOYSA-N 1 1 281.783 3.429 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC[C@H]2c2cccnc2)c(O)c1 ZINC001236817647 819606868 /nfs/dbraw/zinc/60/68/68/819606868.db2.gz FNSJQZBZWOXYLQ-KRWDZBQOSA-N 1 1 298.386 3.441 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@](C)(O)[C@H](C)C2)c(O)c1 ZINC001237047078 819649631 /nfs/dbraw/zinc/64/96/31/819649631.db2.gz ZTDCJHMIIFAWST-KDOFPFPSSA-N 1 1 291.435 3.499 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCCC[C@](O)(CF)C2)c(O)c1 ZINC001237046127 819649866 /nfs/dbraw/zinc/64/98/66/819649866.db2.gz PYSMQSGZRXXAHO-KRWDZBQOSA-N 1 1 295.398 3.202 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CC[C@@]3(CCOC3)C2)c(O)c1 ZINC001237046542 819650103 /nfs/dbraw/zinc/65/01/03/819650103.db2.gz TVPKOORFQVWBOG-QGZVFWFLSA-N 1 1 275.392 3.128 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c(O)c1 ZINC001237050348 819652509 /nfs/dbraw/zinc/65/25/09/819652509.db2.gz AONBNDFSGJBCJA-GDBMZVCRSA-N 1 1 287.403 3.317 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)c(O)c1 ZINC001237055804 819653643 /nfs/dbraw/zinc/65/36/43/819653643.db2.gz QGJSOIOETATQOQ-DOTOQJQBSA-N 1 1 288.435 3.042 20 10 CGCDMO CC(C)c1ccc(C[NH+]2CCN(CC3CC3)CC2)c(O)c1 ZINC001237053990 819655586 /nfs/dbraw/zinc/65/55/86/819655586.db2.gz SEUZXQKRXUPIBQ-UHFFFAOYSA-N 1 1 288.435 3.043 20 10 CGCDMO COC[C@H]1CCC[N@@H+]1Cc1c(O)ccc(Cl)c1Cl ZINC001237077712 819660337 /nfs/dbraw/zinc/66/03/37/819660337.db2.gz JRCBZSZHKHDZAL-SECBINFHSA-N 1 1 290.190 3.310 20 10 CGCDMO COC[C@H]1CCC[N@H+]1Cc1c(O)ccc(Cl)c1Cl ZINC001237077712 819660339 /nfs/dbraw/zinc/66/03/39/819660339.db2.gz JRCBZSZHKHDZAL-SECBINFHSA-N 1 1 290.190 3.310 20 10 CGCDMO COC[C@@H]1CCC[N@@H+]1Cc1c(O)ccc(Cl)c1Cl ZINC001237077713 819660827 /nfs/dbraw/zinc/66/08/27/819660827.db2.gz JRCBZSZHKHDZAL-VIFPVBQESA-N 1 1 290.190 3.310 20 10 CGCDMO COC[C@@H]1CCC[N@H+]1Cc1c(O)ccc(Cl)c1Cl ZINC001237077713 819660831 /nfs/dbraw/zinc/66/08/31/819660831.db2.gz JRCBZSZHKHDZAL-VIFPVBQESA-N 1 1 290.190 3.310 20 10 CGCDMO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1c(O)ccc(Cl)c1Cl ZINC001237084821 819664004 /nfs/dbraw/zinc/66/40/04/819664004.db2.gz OAJHCQQAZIRYRA-BDAKNGLRSA-N 1 1 290.190 3.044 20 10 CGCDMO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1c(O)ccc(Cl)c1Cl ZINC001237084821 819664010 /nfs/dbraw/zinc/66/40/10/819664010.db2.gz OAJHCQQAZIRYRA-BDAKNGLRSA-N 1 1 290.190 3.044 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2O)CCCO1 ZINC001237135032 819674764 /nfs/dbraw/zinc/67/47/64/819674764.db2.gz FONTZVCNFBVTHW-SNVBAGLBSA-N 1 1 289.297 3.022 20 10 CGCDMO C[N@H+](Cc1ccno1)Cc1cc(C(F)(F)F)ccc1O ZINC001237146626 819677808 /nfs/dbraw/zinc/67/78/08/819677808.db2.gz WDVOEOOLQQBKAI-UHFFFAOYSA-N 1 1 286.253 3.031 20 10 CGCDMO C[N@@H+](Cc1ccno1)Cc1cc(C(F)(F)F)ccc1O ZINC001237146626 819677813 /nfs/dbraw/zinc/67/78/13/819677813.db2.gz WDVOEOOLQQBKAI-UHFFFAOYSA-N 1 1 286.253 3.031 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001237487388 819761761 /nfs/dbraw/zinc/76/17/61/819761761.db2.gz IIWWWXCRPFDWCB-JTQLQIEISA-N 1 1 259.271 3.085 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+](C)CC1CC(F)(F)C1 ZINC001237488029 819761812 /nfs/dbraw/zinc/76/18/12/819761812.db2.gz PPNGKPPZTPPNTB-UHFFFAOYSA-N 1 1 255.308 3.178 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCc2c(F)cccc2C1 ZINC001237492482 819763903 /nfs/dbraw/zinc/76/39/03/819763903.db2.gz REWKITJWSWXUCY-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001237494292 819764148 /nfs/dbraw/zinc/76/41/48/819764148.db2.gz HCYSVROESBFGML-INIZCTEOSA-N 1 1 298.386 3.139 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C)cc1Br ZINC001237678478 819804005 /nfs/dbraw/zinc/80/40/05/819804005.db2.gz ZTGJNMBPYHKKKT-JTQLQIEISA-N 1 1 284.197 3.447 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@@H](C)C[C@@H]2C)c(O)c(OC)c1 ZINC001237677067 819804066 /nfs/dbraw/zinc/80/40/66/819804066.db2.gz WPAGCYAGWHOLFF-NEPJUHHUSA-N 1 1 279.380 3.030 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)c1O ZINC001237679950 819805645 /nfs/dbraw/zinc/80/56/45/819805645.db2.gz MSZPULHEGAOTGH-SWLSCSKDSA-N 1 1 295.810 3.355 20 10 CGCDMO COc1cc(C[N@@H+](C)[C@H]2CC[C@H](C)CC2)c(O)c(OC)c1 ZINC001237683751 819806888 /nfs/dbraw/zinc/80/68/88/819806888.db2.gz KIILFURZGAHRFY-MQMHXKEQSA-N 1 1 293.407 3.420 20 10 CGCDMO CC(C)O[C@@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237945330 819887376 /nfs/dbraw/zinc/88/73/76/819887376.db2.gz YQNUQTLXRYLHHF-LLVKDONJSA-N 1 1 287.762 3.184 20 10 CGCDMO CC(C)O[C@@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237945330 819887386 /nfs/dbraw/zinc/88/73/86/819887386.db2.gz YQNUQTLXRYLHHF-LLVKDONJSA-N 1 1 287.762 3.184 20 10 CGCDMO CO[C@@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237949413 819893777 /nfs/dbraw/zinc/89/37/77/819893777.db2.gz LKKRHESCKPYSKN-LLVKDONJSA-N 1 1 287.762 3.186 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237949413 819893788 /nfs/dbraw/zinc/89/37/88/819893788.db2.gz LKKRHESCKPYSKN-LLVKDONJSA-N 1 1 287.762 3.186 20 10 CGCDMO Cc1cc(F)cc(C[N@@H+]2CC[C@H](C)C[C@@H]2C)c1O ZINC001238062884 819920174 /nfs/dbraw/zinc/92/01/74/819920174.db2.gz UDHHPHUALBVKHT-JQWIXIFHSA-N 1 1 251.345 3.460 20 10 CGCDMO Cc1cc(F)cc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)c1O ZINC001238058450 819920456 /nfs/dbraw/zinc/92/04/56/819920456.db2.gz SBZMBPKXPUWORG-GJZGRUSLSA-N 1 1 291.366 3.173 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)c1O ZINC001238058450 819920462 /nfs/dbraw/zinc/92/04/62/819920462.db2.gz SBZMBPKXPUWORG-GJZGRUSLSA-N 1 1 291.366 3.173 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CCC[C@H](CF)C2)c1O ZINC001238062897 819921102 /nfs/dbraw/zinc/92/11/02/819921102.db2.gz UJKUSQUVOZOXHI-LLVKDONJSA-N 1 1 255.308 3.021 20 10 CGCDMO Cc1cc(F)cc(C[N@@H+]2CCn3cccc3[C@@H]2C)c1O ZINC001238071539 819924567 /nfs/dbraw/zinc/92/45/67/819924567.db2.gz YWKLFGBVCXTZNP-LBPRGKRZSA-N 1 1 274.339 3.218 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CCn3cccc3[C@@H]2C)c1O ZINC001238071539 819924571 /nfs/dbraw/zinc/92/45/71/819924571.db2.gz YWKLFGBVCXTZNP-LBPRGKRZSA-N 1 1 274.339 3.218 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)Cc1cc(O)ccc1C ZINC001238103963 819933983 /nfs/dbraw/zinc/93/39/83/819933983.db2.gz RWYTVALXJQFRHX-UHFFFAOYSA-N 1 1 271.360 3.428 20 10 CGCDMO COc1ccc(N(C)CC[N@@H+](C)CCCC(C)C)cc1 ZINC001460332863 937526995 /nfs/dbraw/zinc/52/69/95/937526995.db2.gz DKHFUHXDOCSNGI-UHFFFAOYSA-N 1 1 278.440 3.499 20 10 CGCDMO Cc1ccc(C)c(C[N@H+](C)C2CC(F)(F)C2)c1O ZINC001140178746 931956979 /nfs/dbraw/zinc/95/69/79/931956979.db2.gz WKQLVGRQIUZCTN-UHFFFAOYSA-N 1 1 255.308 3.239 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@@](C)(CF)C2)c1O ZINC001140178326 931957325 /nfs/dbraw/zinc/95/73/25/931957325.db2.gz IGBLURLNDRSQBI-HNNXBMFYSA-N 1 1 251.345 3.191 20 10 CGCDMO Cc1cc(O)c(CNC[C@@H](CC(C)C)[NH+](C)C)c(Cl)c1 ZINC001461032957 937560917 /nfs/dbraw/zinc/56/09/17/937560917.db2.gz SBKJRCSUJRZRLG-CYBMUJFWSA-N 1 1 298.858 3.420 20 10 CGCDMO COc1cc(F)cc(CNc2ccc3c(c2)[nH+]cn3C)c1 ZINC001461292344 937574872 /nfs/dbraw/zinc/57/48/72/937574872.db2.gz BCAUVCBGTNLYHC-UHFFFAOYSA-N 1 1 285.322 3.333 20 10 CGCDMO COC[C@H](CC(C)(C)C)[NH2+]Cc1cc(F)cc(F)c1O ZINC001461607237 937588136 /nfs/dbraw/zinc/58/81/36/937588136.db2.gz VXXSNNMUXYKVRK-LBPRGKRZSA-N 1 1 287.350 3.211 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C/C=C/Cl ZINC001461807730 937598148 /nfs/dbraw/zinc/59/81/48/937598148.db2.gz YZUSJEGHPPEALR-DAFODLJHSA-N 1 1 250.100 3.027 20 10 CGCDMO CSC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001461839882 937601134 /nfs/dbraw/zinc/60/11/34/937601134.db2.gz AMMJPBZUNDCYHC-LBPRGKRZSA-N 1 1 271.813 3.373 20 10 CGCDMO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1ccc(N(C)C)cc1C ZINC001462415251 937639466 /nfs/dbraw/zinc/63/94/66/937639466.db2.gz PGGOLHIFMGDZPF-AEFFLSMTSA-N 1 1 290.451 3.450 20 10 CGCDMO CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2[O-])[C@H](C)C1 ZINC001308569550 933134700 /nfs/dbraw/zinc/13/47/00/933134700.db2.gz YHRVJXGRIKOGHA-IUODEOHRSA-N 1 1 296.842 3.208 20 10 CGCDMO CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2[O-])[C@H](C)C1 ZINC001308569550 933134704 /nfs/dbraw/zinc/13/47/04/933134704.db2.gz YHRVJXGRIKOGHA-IUODEOHRSA-N 1 1 296.842 3.208 20 10 CGCDMO CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2[O-])[C@H](C)C1 ZINC001308569550 933134706 /nfs/dbraw/zinc/13/47/06/933134706.db2.gz YHRVJXGRIKOGHA-IUODEOHRSA-N 1 1 296.842 3.208 20 10 CGCDMO Cc1ncsc1C[N@H+](C)Cc1ccc(Cl)cc1O ZINC001308619642 933143363 /nfs/dbraw/zinc/14/33/63/933143363.db2.gz NMZXCKDEPZOQEF-UHFFFAOYSA-N 1 1 282.796 3.443 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@@](O)(C3CC3)C2)c1 ZINC001308860278 933191817 /nfs/dbraw/zinc/19/18/17/933191817.db2.gz NIFSJFRACMJFTH-SFHVURJKSA-N 1 1 289.419 3.253 20 10 CGCDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2ncoc2C(C)C)c1 ZINC001320045101 933984866 /nfs/dbraw/zinc/98/48/66/933984866.db2.gz MGUXDOINRRRUPY-NSHDSACASA-N 1 1 290.363 3.363 20 10 CGCDMO CCN1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC001320118328 934003890 /nfs/dbraw/zinc/00/38/90/934003890.db2.gz IFUDMXRKGUSMIW-JKSUJKDBSA-N 1 1 290.451 3.392 20 10 CGCDMO CCN1CCC[C@H](C[NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC001324514630 934517985 /nfs/dbraw/zinc/51/79/85/934517985.db2.gz UYFLJFRWXOREOA-HZPDHXFCSA-N 1 1 290.451 3.392 20 10 CGCDMO [O-]c1ccc(Cl)cc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326201951 934959042 /nfs/dbraw/zinc/95/90/42/934959042.db2.gz MSKVYWLTUBWDHD-UHFFFAOYSA-N 1 1 294.826 3.011 20 10 CGCDMO [O-]c1ccc(Cl)cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326201951 934959044 /nfs/dbraw/zinc/95/90/44/934959044.db2.gz MSKVYWLTUBWDHD-UHFFFAOYSA-N 1 1 294.826 3.011 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)c1ccc(F)cc1O ZINC001328400492 935135175 /nfs/dbraw/zinc/13/51/75/935135175.db2.gz RMADHZNADDBKST-JBLDHEPKSA-N 1 1 255.308 3.463 20 10 CGCDMO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1ccc(N)cc1 ZINC001335288191 936137441 /nfs/dbraw/zinc/13/74/41/936137441.db2.gz FPAIQFZIXSMGNX-INIZCTEOSA-N 1 1 284.407 3.212 20 10 CGCDMO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1ccc(N)cc1 ZINC001335288191 936137444 /nfs/dbraw/zinc/13/74/44/936137444.db2.gz FPAIQFZIXSMGNX-INIZCTEOSA-N 1 1 284.407 3.212 20 10 CGCDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001336285006 936185935 /nfs/dbraw/zinc/18/59/35/936185935.db2.gz GFDLCMMBXUUGHD-HNNXBMFYSA-N 1 1 282.387 3.267 20 10 CGCDMO Nc1ccc(C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)cc1 ZINC001337838761 936293570 /nfs/dbraw/zinc/29/35/70/936293570.db2.gz SOZQPIHJBDFPMK-QGZVFWFLSA-N 1 1 288.435 3.298 20 10 CGCDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(Cl)cc2O)C1 ZINC001474308872 937850334 /nfs/dbraw/zinc/85/03/34/937850334.db2.gz IJOWCIOSAUOYQS-ZDUSSCGKSA-N 1 1 296.842 3.209 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2C[C@H](C)N(C)C[C@@H]2C)c1 ZINC001474463640 937861590 /nfs/dbraw/zinc/86/15/90/937861590.db2.gz TVUQJKMMJKDSJS-KBPBESRZSA-N 1 1 276.424 3.040 20 10 CGCDMO CC(C)c1ccc(O)c(CN2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC001474463640 937861592 /nfs/dbraw/zinc/86/15/92/937861592.db2.gz TVUQJKMMJKDSJS-KBPBESRZSA-N 1 1 276.424 3.040 20 10 CGCDMO CC(C)c1ccc(O)c(CN2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC001474463640 937861594 /nfs/dbraw/zinc/86/15/94/937861594.db2.gz TVUQJKMMJKDSJS-KBPBESRZSA-N 1 1 276.424 3.040 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@@H+](C)CCCCCO)c1 ZINC001474478410 937862203 /nfs/dbraw/zinc/86/22/03/937862203.db2.gz BCOCVNZSNQWQTF-UHFFFAOYSA-N 1 1 265.397 3.110 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1 ZINC001474504284 937864031 /nfs/dbraw/zinc/86/40/31/937864031.db2.gz FCYYVOWNDQYWDV-YOEHRIQHSA-N 1 1 290.451 3.288 20 10 CGCDMO Cc1ncc(C[N@H+](C)Cc2ccc(Cl)cc2O)s1 ZINC001560660042 938268499 /nfs/dbraw/zinc/26/84/99/938268499.db2.gz CVKMEXURNPVMBD-UHFFFAOYSA-N 1 1 282.796 3.443 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)C2Cc3ccccc3C2)c(O)c1 ZINC001560683019 938269820 /nfs/dbraw/zinc/26/98/20/938269820.db2.gz MHFWOFVKTGSGPZ-UHFFFAOYSA-N 1 1 297.398 3.308 20 10 CGCDMO Oc1cc(Cl)ccc1C[NH2+][C@]12C[C@H]1CCCC2 ZINC001560967617 938287004 /nfs/dbraw/zinc/28/70/04/938287004.db2.gz MSGLGYFZKVRAEI-BXUZGUMPSA-N 1 1 251.757 3.468 20 10 CGCDMO Nc1ccc(CNC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC001580445775 962728742 /nfs/dbraw/zinc/72/87/42/962728742.db2.gz VOFVFYFFRBAOCM-UHFFFAOYSA-N 1 1 287.451 3.013 20 10 CGCDMO C[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092874802 345860765 /nfs/dbraw/zinc/86/07/65/345860765.db2.gz URMXDUFBTRNPFG-MAUKXSAKSA-N 1 1 288.435 3.144 20 10 CGCDMO C[C@H](CN1CCCCC1)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000062747589 369630050 /nfs/dbraw/zinc/63/00/50/369630050.db2.gz XRHAAGIZRIFOOR-OLZOCXBDSA-N 1 1 280.387 3.056 20 10 CGCDMO COc1cccc(C[N@@H+]([C@@H](C)C2CC2)C2CC2)c1O ZINC000092009776 370088109 /nfs/dbraw/zinc/08/81/09/370088109.db2.gz WECKNUVMIZBJHR-NSHDSACASA-N 1 1 261.365 3.164 20 10 CGCDMO CCC[N@@H+](Cc1cncs1)Cc1ccccc1O ZINC000092704962 370099189 /nfs/dbraw/zinc/09/91/89/370099189.db2.gz NNGGQFOUBFQPNA-UHFFFAOYSA-N 1 1 262.378 3.261 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)CCC2CCOCC2)c1O ZINC000129649046 370996569 /nfs/dbraw/zinc/99/65/69/370996569.db2.gz VMNDAGQUIKCMKK-UHFFFAOYSA-N 1 1 293.407 3.039 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000289328564 371754732 /nfs/dbraw/zinc/75/47/32/371754732.db2.gz GLDLSRLLRQFQNJ-UHFFFAOYSA-N 1 1 255.317 3.275 20 10 CGCDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293531647 372405433 /nfs/dbraw/zinc/40/54/33/372405433.db2.gz JLFLEJFBKJCHSE-SFHVURJKSA-N 1 1 290.451 3.046 20 10 CGCDMO COc1ccc(O)c(CNc2cccc(C3CC3)[nH+]2)c1 ZINC000293910882 372521044 /nfs/dbraw/zinc/52/10/44/372521044.db2.gz LVEFKGJNYVOSKQ-UHFFFAOYSA-N 1 1 270.332 3.285 20 10 CGCDMO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H]1CF ZINC000294034478 372561082 /nfs/dbraw/zinc/56/10/82/372561082.db2.gz OMYJKHDWJOFHJJ-NSHDSACASA-N 1 1 288.160 3.089 20 10 CGCDMO Oc1ccc(Br)cc1C[N@H+]1CCC[C@H]1CF ZINC000294034478 372561086 /nfs/dbraw/zinc/56/10/86/372561086.db2.gz OMYJKHDWJOFHJJ-NSHDSACASA-N 1 1 288.160 3.089 20 10 CGCDMO CC[C@@H]([NH2+][C@H](CC)C(C)(C)O)c1ccc(F)cc1O ZINC000294552891 372660422 /nfs/dbraw/zinc/66/04/22/372660422.db2.gz BHVYFPCXIYKJHS-TZMCWYRMSA-N 1 1 269.360 3.122 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccncc1C ZINC000294564701 372660554 /nfs/dbraw/zinc/66/05/54/372660554.db2.gz NDZZDMAGCGMTAR-UHFFFAOYSA-N 1 1 283.419 3.478 20 10 CGCDMO CO[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)[C@H](C)C1 ZINC000294743615 372670913 /nfs/dbraw/zinc/67/09/13/372670913.db2.gz QYKLCZMCYWCMBN-MWLCHTKSSA-N 1 1 287.762 3.184 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)[C@H](C)C1 ZINC000294743615 372670918 /nfs/dbraw/zinc/67/09/18/372670918.db2.gz QYKLCZMCYWCMBN-MWLCHTKSSA-N 1 1 287.762 3.184 20 10 CGCDMO CCn1cc([C@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)cn1 ZINC000294825777 372675010 /nfs/dbraw/zinc/67/50/10/372675010.db2.gz KZGCXFRDXDUTGU-VIFPVBQESA-N 1 1 297.761 3.252 20 10 CGCDMO C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCN3C)c2nccn21 ZINC000297634813 373277713 /nfs/dbraw/zinc/27/77/13/373277713.db2.gz JMYPWZYLUMLKJK-BBRMVZONSA-N 1 1 296.418 3.061 20 10 CGCDMO Cc1cccc(C[N@H+]2CCO[C@@H](c3cccs3)C2)c1O ZINC000179887783 373934803 /nfs/dbraw/zinc/93/48/03/373934803.db2.gz MIDBQWYYRFIDKL-CQSZACIVSA-N 1 1 289.400 3.336 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+](C)CCc2nccs2)c1O ZINC000180633014 374030275 /nfs/dbraw/zinc/03/02/75/374030275.db2.gz MECTVWVALLBYQM-UHFFFAOYSA-N 1 1 296.823 3.485 20 10 CGCDMO C[N@@H+](CCCCC(=O)OC(C)(C)C)Cc1ccccc1O ZINC000182161109 374227540 /nfs/dbraw/zinc/22/75/40/374227540.db2.gz UVNRJQFORUARDZ-UHFFFAOYSA-N 1 1 293.407 3.336 20 10 CGCDMO C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1O)c1nccs1 ZINC000183257061 374394286 /nfs/dbraw/zinc/39/42/86/374394286.db2.gz SRTXDYVAODKPNA-JTQLQIEISA-N 1 1 280.368 3.223 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@@H](C)c2ccccn2)c1 ZINC000183677252 374440452 /nfs/dbraw/zinc/44/04/52/374440452.db2.gz SRNNAIKCFWHLCO-ZDUSSCGKSA-N 1 1 286.375 3.379 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2ccncc2)cc1C ZINC000183737687 374449567 /nfs/dbraw/zinc/44/95/67/374449567.db2.gz KLXQUEFGEVANHM-UHFFFAOYSA-N 1 1 256.349 3.036 20 10 CGCDMO CCOC1CC(CC[NH2+][C@@H](C)c2ccc(F)cc2O)C1 ZINC000189256123 375350970 /nfs/dbraw/zinc/35/09/70/375350970.db2.gz YNLIVFMKCVKGGI-DCBWTQNWSA-N 1 1 281.371 3.387 20 10 CGCDMO C[C@@H]([NH2+]CC1(C)COC1)c1cc(Cl)c(Cl)cc1O ZINC000192859751 375795495 /nfs/dbraw/zinc/79/54/95/375795495.db2.gz HADALDOKRZVELS-MRVPVSSYSA-N 1 1 290.190 3.386 20 10 CGCDMO C[C@H]([NH2+]Cc1nccn1C)c1ccc(N2CCCCC2)cc1 ZINC000268944595 378158562 /nfs/dbraw/zinc/15/85/62/378158562.db2.gz WDTVVJDYLUYCEN-HNNXBMFYSA-N 1 1 298.434 3.261 20 10 CGCDMO CCOc1ccc(N(CC)CCn2cc[nH+]c2C)cc1 ZINC000270884704 378410186 /nfs/dbraw/zinc/41/01/86/378410186.db2.gz NYNREPRSAVIFKG-UHFFFAOYSA-N 1 1 273.380 3.117 20 10 CGCDMO CC(C)C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2O)CCO1 ZINC000272674249 378687912 /nfs/dbraw/zinc/68/79/12/378687912.db2.gz UIGRJJKNFBBFEQ-KGLIPLIRSA-N 1 1 281.371 3.215 20 10 CGCDMO C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000273361053 378741963 /nfs/dbraw/zinc/74/19/63/378741963.db2.gz AJKGUONSVRLRAQ-BDAKNGLRSA-N 1 1 295.276 3.149 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000375215530 379488221 /nfs/dbraw/zinc/48/82/21/379488221.db2.gz XVAVVRBOUYWFFW-SFHVURJKSA-N 1 1 299.345 3.163 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000375215530 379488230 /nfs/dbraw/zinc/48/82/30/379488230.db2.gz XVAVVRBOUYWFFW-SFHVURJKSA-N 1 1 299.345 3.163 20 10 CGCDMO Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)nn1C ZINC000282307035 379895313 /nfs/dbraw/zinc/89/53/13/379895313.db2.gz SWJDUTVBMUTRQX-HNNXBMFYSA-N 1 1 298.434 3.180 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1c(F)cncc1F ZINC000285571672 380151159 /nfs/dbraw/zinc/15/11/59/380151159.db2.gz UGYABCYOMDSFTP-LLVKDONJSA-N 1 1 291.345 3.277 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cc(Cl)ccc1O ZINC000363866768 382259488 /nfs/dbraw/zinc/25/94/88/382259488.db2.gz PGGUNZRGEGBLEW-TVQRCGJNSA-N 1 1 291.782 3.497 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2CSC)c1 ZINC000093761469 392239262 /nfs/dbraw/zinc/23/92/62/392239262.db2.gz SPNJVICZSLHECW-CYBMUJFWSA-N 1 1 281.421 3.118 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1O ZINC000133700917 392463856 /nfs/dbraw/zinc/46/38/56/392463856.db2.gz WJSQEAPNBYBDIB-OAHLLOKOSA-N 1 1 283.371 3.390 20 10 CGCDMO CCOC[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000177635245 392665176 /nfs/dbraw/zinc/66/51/76/392665176.db2.gz RURRPKIPAIPCMH-CQSZACIVSA-N 1 1 285.387 3.404 20 10 CGCDMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000178416649 392678855 /nfs/dbraw/zinc/67/88/55/392678855.db2.gz HPSXOKSDUVOMRW-AWEZNQCLSA-N 1 1 269.392 3.341 20 10 CGCDMO CCc1cnc(C[N@H+](C)Cc2ccccc2O)s1 ZINC000179582715 392703620 /nfs/dbraw/zinc/70/36/20/392703620.db2.gz CYSDVCKWSWVYGL-UHFFFAOYSA-N 1 1 262.378 3.043 20 10 CGCDMO CCc1cnc(C[N@@H+](C)Cc2ccccc2O)s1 ZINC000179582715 392703626 /nfs/dbraw/zinc/70/36/26/392703626.db2.gz CYSDVCKWSWVYGL-UHFFFAOYSA-N 1 1 262.378 3.043 20 10 CGCDMO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000090721002 260261757 /nfs/dbraw/zinc/26/17/57/260261757.db2.gz GPWNXEVIKDWOPK-NVXWUHKLSA-N 1 1 289.467 3.105 20 10 CGCDMO COc1cccc(C[N@@H+]([C@H](C)C(C)C)C2CC2)c1O ZINC000156982972 261136957 /nfs/dbraw/zinc/13/69/57/261136957.db2.gz NVKSOIIAYRFCQM-GFCCVEGCSA-N 1 1 263.381 3.410 20 10 CGCDMO CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000185059706 262039429 /nfs/dbraw/zinc/03/94/29/262039429.db2.gz LPNWHRSWTWJGJD-RYUDHWBXSA-N 1 1 282.815 3.038 20 10 CGCDMO CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000185059706 262039433 /nfs/dbraw/zinc/03/94/33/262039433.db2.gz LPNWHRSWTWJGJD-RYUDHWBXSA-N 1 1 282.815 3.038 20 10 CGCDMO C[C@@H]([NH2+]CCCNc1ccccn1)c1ccc(F)cc1O ZINC000185659575 262064616 /nfs/dbraw/zinc/06/46/16/262064616.db2.gz MURZKTPZBLCFFW-GFCCVEGCSA-N 1 1 289.354 3.079 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000377195039 268054751 /nfs/dbraw/zinc/05/47/51/268054751.db2.gz CLAZEEINUWFCOZ-WDEREUQCSA-N 1 1 299.773 3.043 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000377195039 268054753 /nfs/dbraw/zinc/05/47/53/268054753.db2.gz CLAZEEINUWFCOZ-WDEREUQCSA-N 1 1 299.773 3.043 20 10 CGCDMO CCc1cnc(C[NH2+]Cc2ccc(OC)c(C)c2)s1 ZINC000230707149 326939372 /nfs/dbraw/zinc/93/93/72/326939372.db2.gz FFYLQTZEKLFLQZ-UHFFFAOYSA-N 1 1 276.405 3.312 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@H](C3CC3)C2)c1O ZINC000378349431 329047103 /nfs/dbraw/zinc/04/71/03/329047103.db2.gz OMADAVSIGLOFNE-ZDUSSCGKSA-N 1 1 261.365 3.023 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186439741 329342502 /nfs/dbraw/zinc/34/25/02/329342502.db2.gz OBMBPABPCRGJNH-GOSISDBHSA-N 1 1 281.355 3.024 20 10 CGCDMO CC(C)(O)c1ccc(C[NH2+]Cc2cccc(F)c2O)cc1 ZINC000274952704 519373116 /nfs/dbraw/zinc/37/31/16/519373116.db2.gz SKTAMNGFXRCZSM-UHFFFAOYSA-N 1 1 289.350 3.049 20 10 CGCDMO CCCc1nc(C)c(C[NH2+]Cc2cccc(F)c2O)o1 ZINC000292835846 521496294 /nfs/dbraw/zinc/49/62/94/521496294.db2.gz RSRDEOXYDFGJAO-UHFFFAOYSA-N 1 1 278.327 3.070 20 10 CGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(N(C)C)cc2)CC1 ZINC000280189137 523806363 /nfs/dbraw/zinc/80/63/63/523806363.db2.gz HHTSUGHVLSRUQV-KRWDZBQOSA-N 1 1 276.424 3.144 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1 ZINC000290998922 525338713 /nfs/dbraw/zinc/33/87/13/525338713.db2.gz AQEWWBFVUOJFOZ-JKSUJKDBSA-N 1 1 275.392 3.090 20 10 CGCDMO COc1cccc(C[N@@H+](C)[C@H](C)c2ccco2)c1O ZINC000131106476 525915880 /nfs/dbraw/zinc/91/58/80/525915880.db2.gz WHICIYHZXYYATD-LLVKDONJSA-N 1 1 261.321 3.187 20 10 CGCDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cc(C)ccc1O ZINC000290651681 526524654 /nfs/dbraw/zinc/52/46/54/526524654.db2.gz ZBZFAPSHOUTCIQ-OAHLLOKOSA-N 1 1 285.391 3.378 20 10 CGCDMO Cc1nc(C2([NH2+]Cc3ccccc3O)CCCCC2)no1 ZINC000263683463 526769522 /nfs/dbraw/zinc/76/95/22/526769522.db2.gz NFBNSKQTTVBTGY-UHFFFAOYSA-N 1 1 287.363 3.033 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cnc(C)nc2)cc1 ZINC000738299019 572369664 /nfs/dbraw/zinc/36/96/64/572369664.db2.gz MHUBJKNIKHGJSA-UHFFFAOYSA-N 1 1 298.434 3.263 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000725779086 572399890 /nfs/dbraw/zinc/39/98/90/572399890.db2.gz LAGALGOWQYHRQF-LLVKDONJSA-N 1 1 263.381 3.237 20 10 CGCDMO COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@H](C)C2)c1O ZINC000725777918 572400125 /nfs/dbraw/zinc/40/01/25/572400125.db2.gz JGNZSNYRGYYPND-GFCCVEGCSA-N 1 1 299.370 3.174 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)Cc2ccco2)cc1 ZINC000741752939 572521980 /nfs/dbraw/zinc/52/19/80/572521980.db2.gz JSRSVFYRAADGNH-UHFFFAOYSA-N 1 1 258.365 3.368 20 10 CGCDMO CCC[N@H+](Cc1nnc(C2CC2)o1)Cc1ccccc1O ZINC000743870066 572695020 /nfs/dbraw/zinc/69/50/20/572695020.db2.gz GRIIYLLHPXORLV-UHFFFAOYSA-N 1 1 287.363 3.065 20 10 CGCDMO CCC[N@@H+](Cc1nnc(C2CC2)o1)Cc1ccccc1O ZINC000743870066 572695023 /nfs/dbraw/zinc/69/50/23/572695023.db2.gz GRIIYLLHPXORLV-UHFFFAOYSA-N 1 1 287.363 3.065 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)Cc2cccc(F)c2)c1 ZINC000160468548 618061961 /nfs/dbraw/zinc/06/19/61/618061961.db2.gz FZFRHERTAZMQFW-UHFFFAOYSA-N 1 1 259.324 3.472 20 10 CGCDMO CC[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000891708289 618252416 /nfs/dbraw/zinc/25/24/16/618252416.db2.gz WOAZLPZPIBWGJX-LBPRGKRZSA-N 1 1 279.380 3.031 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2C)c(O)c1OC ZINC000891861547 618345479 /nfs/dbraw/zinc/34/54/79/618345479.db2.gz HKJAXZBAUWQEPH-RYUDHWBXSA-N 1 1 279.380 3.030 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC1(C)CCC1 ZINC000278270114 618760605 /nfs/dbraw/zinc/76/06/05/618760605.db2.gz RMZWPXOVWOCNDF-UHFFFAOYSA-N 1 1 288.435 3.145 20 10 CGCDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2O)C12CCC2 ZINC000179586588 618795547 /nfs/dbraw/zinc/79/55/47/618795547.db2.gz IHNKQWUZKGCCAZ-HOTGVXAUSA-N 1 1 275.392 3.172 20 10 CGCDMO Cc1ccccc1C[NH+]1CCN(Cc2ccccc2O)CC1 ZINC000179553573 618795559 /nfs/dbraw/zinc/79/55/59/618795559.db2.gz SMKRIRVZBIOQPP-UHFFFAOYSA-N 1 1 296.414 3.018 20 10 CGCDMO COc1cccc(C[N@H+]2C[C@@H](C)CCC[C@H]2C)c1O ZINC000093509258 619202287 /nfs/dbraw/zinc/20/22/87/619202287.db2.gz POTODADVWBDOCS-QWHCGFSZSA-N 1 1 263.381 3.411 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000840940600 619232640 /nfs/dbraw/zinc/23/26/40/619232640.db2.gz HPBLLUGLXTYXDF-QAPCUYQASA-N 1 1 290.451 3.186 20 10 CGCDMO Cc1ncsc1C[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000893999238 619348538 /nfs/dbraw/zinc/34/85/38/619348538.db2.gz AWBMHABWMUXZQO-UHFFFAOYSA-N 1 1 284.331 3.067 20 10 CGCDMO [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000895075065 619713554 /nfs/dbraw/zinc/71/35/54/619713554.db2.gz HJYCOSHJVWZYAB-GFCCVEGCSA-N 1 1 290.313 3.055 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000895075065 619713556 /nfs/dbraw/zinc/71/35/56/619713556.db2.gz HJYCOSHJVWZYAB-GFCCVEGCSA-N 1 1 290.313 3.055 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000895075065 619713557 /nfs/dbraw/zinc/71/35/57/619713557.db2.gz HJYCOSHJVWZYAB-GFCCVEGCSA-N 1 1 290.313 3.055 20 10 CGCDMO Oc1ccccc1C[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000896230837 619970731 /nfs/dbraw/zinc/97/07/31/619970731.db2.gz LMIWGYNSQXEMQF-FUHWJXTLSA-N 1 1 265.356 3.166 20 10 CGCDMO Cc1cccc(C)c1C[NH2+]Cc1c(O)cccc1F ZINC000896636244 620040848 /nfs/dbraw/zinc/04/08/48/620040848.db2.gz BHIBRXZRYRGBSS-UHFFFAOYSA-N 1 1 259.324 3.438 20 10 CGCDMO C[C@@H](CCc1cccnc1)[NH2+]Cc1c(O)cccc1F ZINC000896638363 620041495 /nfs/dbraw/zinc/04/14/95/620041495.db2.gz AZGKPDFRLWUEIT-LBPRGKRZSA-N 1 1 274.339 3.037 20 10 CGCDMO CCCn1nc(C)c(C[NH2+]Cc2c(O)cccc2F)c1C ZINC000896641094 620042553 /nfs/dbraw/zinc/04/25/53/620042553.db2.gz PFELTEYPFSSUSI-UHFFFAOYSA-N 1 1 291.370 3.044 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCSC1)c1ccc(Cl)cc1O ZINC000841754092 620391999 /nfs/dbraw/zinc/39/19/99/620391999.db2.gz YTUHLTYCCUWBEA-VHSXEESVSA-N 1 1 271.813 3.449 20 10 CGCDMO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccc(Cl)cc1O ZINC000841756396 620402512 /nfs/dbraw/zinc/40/25/12/620402512.db2.gz XPHAFQKCGKKNJJ-GARJFASQSA-N 1 1 269.772 3.121 20 10 CGCDMO C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1c(O)cccc1F ZINC000927068639 620569928 /nfs/dbraw/zinc/56/99/28/620569928.db2.gz TZBPFPUYWYMAQR-BNLOLNQZSA-N 1 1 293.382 3.387 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000898516245 620595496 /nfs/dbraw/zinc/59/54/96/620595496.db2.gz ORSVBLZAYWFRDF-HZPDHXFCSA-N 1 1 289.419 3.339 20 10 CGCDMO CCc1onc(C)c1C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000927139330 620599650 /nfs/dbraw/zinc/59/96/50/620599650.db2.gz KASXMTCUNAYEEI-SECBINFHSA-N 1 1 278.327 3.241 20 10 CGCDMO CCN(CC)c1ccc(C[NH2+]Cc2cn(CC)cn2)cc1 ZINC000902075789 621127338 /nfs/dbraw/zinc/12/73/38/621127338.db2.gz MFWGQPDITTYIIA-UHFFFAOYSA-N 1 1 286.423 3.039 20 10 CGCDMO Cn1c[nH+]cc1CCCOc1ccc(N2CCCC2)cc1 ZINC000902282984 621225889 /nfs/dbraw/zinc/22/58/89/621225889.db2.gz HWRBXCAWXIJGAQ-UHFFFAOYSA-N 1 1 285.391 3.032 20 10 CGCDMO C[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1c(O)cccc1F ZINC000903265127 621650136 /nfs/dbraw/zinc/65/01/36/621650136.db2.gz QFEIMRDPPRWSKQ-DYEKYZERSA-N 1 1 281.371 3.123 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCN1C)c1cc(Cl)c(Cl)cc1O ZINC000903316768 621687757 /nfs/dbraw/zinc/68/77/57/621687757.db2.gz HKUGTNOTMIRPFQ-DTWKUNHWSA-N 1 1 289.206 3.054 20 10 CGCDMO C[C@@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1ccc(F)cc1O ZINC000903362693 621715521 /nfs/dbraw/zinc/71/55/21/621715521.db2.gz ARWNOMARUYYQRC-BFQNTYOBSA-N 1 1 291.366 3.141 20 10 CGCDMO C[C@H]([NH2+]CCOC1CCSCC1)c1c(O)cccc1F ZINC000903444889 621757149 /nfs/dbraw/zinc/75/71/49/621757149.db2.gz FGOIVDUUKCOUCZ-NSHDSACASA-N 1 1 299.411 3.094 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCS[C@@H](C(C)C)C2)c1O ZINC000164427393 622834954 /nfs/dbraw/zinc/83/49/54/622834954.db2.gz SBAOCYHRXQAVNB-OAHLLOKOSA-N 1 1 295.448 3.283 20 10 CGCDMO CC(C)C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)N(C)C ZINC000062745405 623265224 /nfs/dbraw/zinc/26/52/24/623265224.db2.gz UNCIAYSXDASZMA-GXTWGEPZSA-N 1 1 282.403 3.158 20 10 CGCDMO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)N1CCCC1 ZINC000062745397 623265241 /nfs/dbraw/zinc/26/52/41/623265241.db2.gz OHXCMVDAZFSPGL-BBRMVZONSA-N 1 1 294.414 3.302 20 10 CGCDMO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)N1CCCCC1 ZINC000062747840 623266905 /nfs/dbraw/zinc/26/69/05/623266905.db2.gz MXURJLWNADMNKE-STQMWFEESA-N 1 1 280.387 3.056 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)[C@@H]1c1ccccc1 ZINC000173454952 623326684 /nfs/dbraw/zinc/32/66/84/623326684.db2.gz KZPZRWUVTRAEIZ-SGTLLEGYSA-N 1 1 297.354 3.314 20 10 CGCDMO COc1cccc(C[N@@H+](C)C[C@H]2CC=CCC2)c1O ZINC000753574355 623416873 /nfs/dbraw/zinc/41/68/73/623416873.db2.gz CXBJUNMRUMVDOX-ZDUSSCGKSA-N 1 1 261.365 3.189 20 10 CGCDMO CCC[C@H]1C[N@@H+](Cc2cc(C)cc(C)c2O)CCO1 ZINC000152471660 623667672 /nfs/dbraw/zinc/66/76/72/623667672.db2.gz OQUYFTWTFYIKGH-HNNXBMFYSA-N 1 1 263.381 3.010 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCOc3ccccc3C1)CCC2 ZINC000917486696 624275587 /nfs/dbraw/zinc/27/55/87/624275587.db2.gz SXCFPAGTDABGPA-UHFFFAOYSA-N 1 1 295.382 3.276 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2c2cccn2C)cc1 ZINC000179703814 624678449 /nfs/dbraw/zinc/67/84/49/624678449.db2.gz LWMZRFDJIVGRPG-SFHVURJKSA-N 1 1 283.419 3.428 20 10 CGCDMO C[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)Cc1ccccc1O ZINC000179803738 624687247 /nfs/dbraw/zinc/68/72/47/624687247.db2.gz INXAIRKLZPLCGS-UHFFFAOYSA-N 1 1 293.370 3.414 20 10 CGCDMO C[N@H+](Cc1c[nH]c(-c2ccccc2)n1)Cc1ccccc1O ZINC000179803738 624687250 /nfs/dbraw/zinc/68/72/50/624687250.db2.gz INXAIRKLZPLCGS-UHFFFAOYSA-N 1 1 293.370 3.414 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)[C@H]2C[C@@](C)(OC)C2(C)C)c1 ZINC000180672704 624766790 /nfs/dbraw/zinc/76/67/90/624766790.db2.gz LFAKTAUXUDXLKU-DOTOQJQBSA-N 1 1 293.407 3.036 20 10 CGCDMO CCCCC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000756342730 625879452 /nfs/dbraw/zinc/87/94/52/625879452.db2.gz LMTWNUMWVLEGJK-LLVKDONJSA-N 1 1 265.353 3.020 20 10 CGCDMO CCc1nc(C)c(C[NH2+]Cc2ccc3c(c2)CCCO3)o1 ZINC000922144942 625972708 /nfs/dbraw/zinc/97/27/08/625972708.db2.gz ZBBQIINZAYIGIH-UHFFFAOYSA-N 1 1 286.375 3.160 20 10 CGCDMO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922164336 625977521 /nfs/dbraw/zinc/97/75/21/625977521.db2.gz KHJBAWUUPCATIT-ZDUSSCGKSA-N 1 1 285.391 3.079 20 10 CGCDMO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922164335 625977586 /nfs/dbraw/zinc/97/75/86/625977586.db2.gz KHJBAWUUPCATIT-CYBMUJFWSA-N 1 1 285.391 3.079 20 10 CGCDMO Cc1ccc(O)c(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)c1 ZINC000922519632 626010685 /nfs/dbraw/zinc/01/06/85/626010685.db2.gz FIKHWYCAVKDPTA-WMLDXEAASA-N 1 1 287.334 3.262 20 10 CGCDMO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccn(C)n2)cc1 ZINC000839190902 626328049 /nfs/dbraw/zinc/32/80/49/626328049.db2.gz KZEIQEDWJNRYTF-AWEZNQCLSA-N 1 1 286.423 3.117 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000754739618 626585758 /nfs/dbraw/zinc/58/57/58/626585758.db2.gz FZAKXMFXSPYRTK-JKSUJKDBSA-N 1 1 289.419 3.258 20 10 CGCDMO CC[C@H](C)C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000755909985 626658938 /nfs/dbraw/zinc/65/89/38/626658938.db2.gz VXLKVAVYIVVHOD-HNNXBMFYSA-N 1 1 276.424 3.253 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)CCS1 ZINC000756147809 626681243 /nfs/dbraw/zinc/68/12/43/626681243.db2.gz VRVYUSSTWBKMCA-JTQLQIEISA-N 1 1 271.813 3.373 20 10 CGCDMO CCC(CC)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000756345956 626694173 /nfs/dbraw/zinc/69/41/73/626694173.db2.gz ZWSAUVRDQIQHFV-JTQLQIEISA-N 1 1 265.353 3.018 20 10 CGCDMO C[C@H]([NH2+]CCOc1ccc(F)cc1)c1ccc(F)cc1O ZINC000756465647 626707754 /nfs/dbraw/zinc/70/77/54/626707754.db2.gz KGVHGYZXRPOXBL-NSHDSACASA-N 1 1 293.313 3.400 20 10 CGCDMO C[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)c1cc(F)cc(F)c1O ZINC000756635864 626722693 /nfs/dbraw/zinc/72/26/93/626722693.db2.gz BIYZHCWOPMALBA-DRZCJDIDSA-N 1 1 299.361 3.262 20 10 CGCDMO Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000756635862 626722913 /nfs/dbraw/zinc/72/29/13/626722913.db2.gz HUQOXVXPHVRKMV-BLLLJJGKSA-N 1 1 289.350 3.224 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc2c(c1)COC2)c1ccc(F)cc1O ZINC000756760871 626730043 /nfs/dbraw/zinc/73/00/43/626730043.db2.gz ROOCLTWBWBRTTR-NSHDSACASA-N 1 1 287.334 3.412 20 10 CGCDMO COc1ccc(O)c([C@H](C)Nc2ccc3c(c2)[nH+]cn3C)c1 ZINC000757611950 626793703 /nfs/dbraw/zinc/79/37/03/626793703.db2.gz LQVKOUXAZSQEMK-NSHDSACASA-N 1 1 297.358 3.461 20 10 CGCDMO CSC[C@@H]1CCC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000767774703 627436123 /nfs/dbraw/zinc/43/61/23/627436123.db2.gz KUTWUZLXKZEWBC-ZDUSSCGKSA-N 1 1 288.416 3.268 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cscn1 ZINC000768107476 627459618 /nfs/dbraw/zinc/45/96/18/627459618.db2.gz YZHONLRBSKJKMJ-GFCCVEGCSA-N 1 1 275.421 3.368 20 10 CGCDMO Oc1ccccc1C[N@H+](Cc1ccoc1)C[C@H]1CCCO1 ZINC000768163303 627465124 /nfs/dbraw/zinc/46/51/24/627465124.db2.gz XXTQJIIDPDBERG-MRXNPFEDSA-N 1 1 287.359 3.166 20 10 CGCDMO CCCN(CCC)c1ccc(C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000768239640 627469782 /nfs/dbraw/zinc/46/97/82/627469782.db2.gz JISBYIBKBJTSBM-GOSISDBHSA-N 1 1 290.451 3.270 20 10 CGCDMO CC1=CC[N@@H+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768464589 627481273 /nfs/dbraw/zinc/48/12/73/627481273.db2.gz CLUQQUFVIVCNKP-UHFFFAOYSA-N 1 1 257.377 3.423 20 10 CGCDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2cc(C)ccc2O)on1 ZINC000768876999 627505393 /nfs/dbraw/zinc/50/53/93/627505393.db2.gz FTXMHHHMALGXOZ-AWEZNQCLSA-N 1 1 272.348 3.334 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCOc3ccccc3C2)c1 ZINC000768941148 627510709 /nfs/dbraw/zinc/51/07/09/627510709.db2.gz PMMHOJYGCSZTRI-UHFFFAOYSA-N 1 1 299.370 3.186 20 10 CGCDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(C)ccc2O)C1(C)C ZINC000769476247 627558378 /nfs/dbraw/zinc/55/83/78/627558378.db2.gz XMIAOWROEAZODB-HZPDHXFCSA-N 1 1 277.408 3.336 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](C3CC3)C2)cc1F ZINC000769516997 627562470 /nfs/dbraw/zinc/56/24/70/627562470.db2.gz XXYISPQSYHUEPT-CQSZACIVSA-N 1 1 262.372 3.124 20 10 CGCDMO CC(C)[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000770306241 627612384 /nfs/dbraw/zinc/61/23/84/627612384.db2.gz LOPWHUHCXXUWSZ-KRWDZBQOSA-N 1 1 288.435 3.001 20 10 CGCDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2ccccc2O)C1 ZINC000770510144 627623833 /nfs/dbraw/zinc/62/38/33/627623833.db2.gz YSWACJRUDDBRJA-UXLLHSPISA-N 1 1 288.435 3.229 20 10 CGCDMO CC[C@@H](CSC)[N@@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000773254328 627869550 /nfs/dbraw/zinc/86/95/50/627869550.db2.gz GOSPHNIYLVVRMK-HNNXBMFYSA-N 1 1 279.449 3.454 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000773728276 627909011 /nfs/dbraw/zinc/90/90/11/627909011.db2.gz AHEOMHADLOWRCB-MRXNPFEDSA-N 1 1 288.435 3.144 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000775136909 628067250 /nfs/dbraw/zinc/06/72/50/628067250.db2.gz ORYGIQMVFIARME-LLVKDONJSA-N 1 1 273.298 3.475 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCOC3(CCCC3)C2)c1O ZINC000775712872 628128445 /nfs/dbraw/zinc/12/84/45/628128445.db2.gz KNMJXZVJFHYCQL-UHFFFAOYSA-N 1 1 295.810 3.499 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@]3(CCCOC3)C2)c1O ZINC000775718237 628129561 /nfs/dbraw/zinc/12/95/61/628129561.db2.gz XZAAKZKDIFMXCJ-KRWDZBQOSA-N 1 1 275.392 3.093 20 10 CGCDMO C[C@H]1c2ccccc2OCC[N@@H+]1Cc1cc(F)ccc1O ZINC000778999664 628382168 /nfs/dbraw/zinc/38/21/68/628382168.db2.gz JGILZSMBLWJTTJ-LBPRGKRZSA-N 1 1 287.334 3.487 20 10 CGCDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)ccc2O)C1(C)C ZINC000779027311 628384113 /nfs/dbraw/zinc/38/41/13/628384113.db2.gz QNBVRGMDAHESFP-GJZGRUSLSA-N 1 1 281.371 3.167 20 10 CGCDMO COC[C@@H](C)C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000783524568 628721834 /nfs/dbraw/zinc/72/18/34/628721834.db2.gz VCMGMFKWKFLGAV-HNNXBMFYSA-N 1 1 278.440 3.246 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)c1 ZINC000783544944 628723690 /nfs/dbraw/zinc/72/36/90/628723690.db2.gz RWRYBOJCRXDSSP-IHRRRGAJSA-N 1 1 263.381 3.007 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000783593218 628729627 /nfs/dbraw/zinc/72/96/27/628729627.db2.gz OHWUVOMNJQAUGB-GUTXKFCHSA-N 1 1 275.392 3.411 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000783593224 628730108 /nfs/dbraw/zinc/73/01/08/628730108.db2.gz OHWUVOMNJQAUGB-YDHLFZDLSA-N 1 1 275.392 3.411 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2Cc3ccccc3OC[C@@H]2C)c1 ZINC000783598823 628730598 /nfs/dbraw/zinc/73/05/98/628730598.db2.gz ZFFLBDJSKYBKFZ-ZDUSSCGKSA-N 1 1 299.370 3.184 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)[C@H]1CO ZINC000785984167 628905498 /nfs/dbraw/zinc/90/54/98/628905498.db2.gz HHJDNEYZOKWEHK-KSSFIOAISA-N 1 1 297.398 3.262 20 10 CGCDMO CCC[N@@H+](CCC(C)(C)OC)Cc1ccccc1O ZINC000787251041 629005198 /nfs/dbraw/zinc/00/51/98/629005198.db2.gz BGEIZERMPALQKJ-UHFFFAOYSA-N 1 1 265.397 3.419 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1(C)CCCC1 ZINC000787338102 629009212 /nfs/dbraw/zinc/00/92/12/629009212.db2.gz VVWFALOJLLMCIC-UHFFFAOYSA-N 1 1 288.435 3.288 20 10 CGCDMO CCC[C@@H](O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788593477 629066874 /nfs/dbraw/zinc/06/68/74/629066874.db2.gz PXYATITUTQIQEA-NXEZZACHSA-N 1 1 291.313 3.223 20 10 CGCDMO CC[C@@H](O)CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788629377 629070126 /nfs/dbraw/zinc/07/01/26/629070126.db2.gz AVFPMXYUDVAGAG-VHSXEESVSA-N 1 1 291.313 3.223 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCCOC1)c1cccc(C(F)(F)F)c1O ZINC000788787095 629081869 /nfs/dbraw/zinc/08/18/69/629081869.db2.gz YNEZERRXBRSTSP-VHSXEESVSA-N 1 1 289.297 3.241 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)cc1C ZINC000789594197 629149533 /nfs/dbraw/zinc/14/95/33/629149533.db2.gz YYRIKQVUHKHMMU-SFHVURJKSA-N 1 1 291.435 3.382 20 10 CGCDMO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790958654 629242930 /nfs/dbraw/zinc/24/29/30/629242930.db2.gz KAUHOWXVRNHNFA-OTYXRUKQSA-N 1 1 289.778 3.071 20 10 CGCDMO C[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)c1ccncc1 ZINC000790974276 629244752 /nfs/dbraw/zinc/24/47/52/629244752.db2.gz QSQIBKZYYSCMDK-SNVBAGLBSA-N 1 1 294.757 3.473 20 10 CGCDMO CCC(O)(CC)CC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790991090 629247425 /nfs/dbraw/zinc/24/74/25/629247425.db2.gz JYIARNQGJFCGEC-UHFFFAOYSA-N 1 1 289.778 3.216 20 10 CGCDMO Cc1ncc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC000862218926 629325182 /nfs/dbraw/zinc/32/51/82/629325182.db2.gz PAPRMUCRPZKADX-UHFFFAOYSA-N 1 1 285.391 3.214 20 10 CGCDMO Oc1c(F)cc(Cl)cc1Cn1c[nH+]c2c1CCCC2 ZINC000862431704 629371764 /nfs/dbraw/zinc/37/17/64/629371764.db2.gz QPRNGFJOILCIHE-UHFFFAOYSA-N 1 1 280.730 3.308 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC(C)(C)OC[C@@H]2C)cc1C ZINC000792727400 629378207 /nfs/dbraw/zinc/37/82/07/629378207.db2.gz OFFQKJYTHDGKAZ-ZDUSSCGKSA-N 1 1 263.381 3.008 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)c1O ZINC000862541278 629396201 /nfs/dbraw/zinc/39/62/01/629396201.db2.gz RSHDWPAAEJSGII-OAHLLOKOSA-N 1 1 283.371 3.396 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1O ZINC000793232567 629433283 /nfs/dbraw/zinc/43/32/83/629433283.db2.gz YMWJDZHSDNMNBM-ONGXEEELSA-N 1 1 289.297 3.174 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCCC[C@H]2CCO)cc1F ZINC000793607709 629489310 /nfs/dbraw/zinc/48/93/10/629489310.db2.gz CAFUIXYGHKOCMM-HNNXBMFYSA-N 1 1 294.414 3.019 20 10 CGCDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)C(C)(C)c1ccccc1 ZINC000793610291 629490419 /nfs/dbraw/zinc/49/04/19/629490419.db2.gz SJSCBKRQKRPNHW-UHFFFAOYSA-N 1 1 299.370 3.488 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1O ZINC000863295336 629527360 /nfs/dbraw/zinc/52/73/60/629527360.db2.gz QSXQEPMOVHXLHJ-KGLIPLIRSA-N 1 1 293.432 3.179 20 10 CGCDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000796384166 629774260 /nfs/dbraw/zinc/77/42/60/629774260.db2.gz MFTUCEVJPLDEOL-MAUKXSAKSA-N 1 1 290.451 3.268 20 10 CGCDMO CC[C@H]([NH2+]CCN1CCC[C@H](C)C1)c1ccc(F)cc1O ZINC000796696831 629816228 /nfs/dbraw/zinc/81/62/28/629816228.db2.gz VSQFUJJJKSPYDL-BBRMVZONSA-N 1 1 294.414 3.304 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](c3ccccc3)C1)OCO2 ZINC000120272938 629936081 /nfs/dbraw/zinc/93/60/81/629936081.db2.gz KMVNKCPBVSYIQR-AWEZNQCLSA-N 1 1 297.354 3.110 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2C)c1 ZINC000798937065 630127579 /nfs/dbraw/zinc/12/75/79/630127579.db2.gz JPGPDNWGCYODHR-SGMGOOAPSA-N 1 1 291.391 3.266 20 10 CGCDMO CO[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)[C@H](C)C1 ZINC000799736144 630228253 /nfs/dbraw/zinc/22/82/53/630228253.db2.gz IMHZNPZMNATQNN-NXEZZACHSA-N 1 1 287.762 3.184 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)[C@H](C)C1 ZINC000799736144 630228254 /nfs/dbraw/zinc/22/82/54/630228254.db2.gz IMHZNPZMNATQNN-NXEZZACHSA-N 1 1 287.762 3.184 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](C)Cc2cnc(C(C)C)nc2)c1 ZINC000799736873 630229052 /nfs/dbraw/zinc/22/90/52/630229052.db2.gz KLMWYIPFKFCLCA-UHFFFAOYSA-N 1 1 285.391 3.246 20 10 CGCDMO COc1ccc(N2CCC([NH2+]C3(C(F)F)CC3)CC2)cc1 ZINC000800502071 630289508 /nfs/dbraw/zinc/28/95/08/630289508.db2.gz LWCXENUCZVQHOQ-UHFFFAOYSA-N 1 1 296.361 3.051 20 10 CGCDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCOCC12CC2 ZINC000802658711 630403758 /nfs/dbraw/zinc/40/37/58/630403758.db2.gz OXYFWHNDIRWQJN-UHFFFAOYSA-N 1 1 295.382 3.424 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](OC(F)F)C2)cc1 ZINC000802659248 630403800 /nfs/dbraw/zinc/40/38/00/630403800.db2.gz XUVQBOYITAMYBT-HNNXBMFYSA-N 1 1 298.377 3.346 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@](C)(F)C2)c1 ZINC000840101267 630593471 /nfs/dbraw/zinc/59/34/71/630593471.db2.gz RHYRHMAMYDAGCX-OAHLLOKOSA-N 1 1 251.345 3.333 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C[C@H]1C ZINC000840124107 630605428 /nfs/dbraw/zinc/60/54/28/630605428.db2.gz NTUCLIMZFBNPCC-ACJLOTCBSA-N 1 1 289.419 3.128 20 10 CGCDMO CC(C)SCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000808419668 630643179 /nfs/dbraw/zinc/64/31/79/630643179.db2.gz NELSPJZAQMJNQL-UHFFFAOYSA-N 1 1 277.792 3.416 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cocn2)c1O ZINC000808711270 630669211 /nfs/dbraw/zinc/66/92/11/630669211.db2.gz ZPZFDERMLMOOEO-VIFPVBQESA-N 1 1 266.728 3.193 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](C3CC3)C2)c1O ZINC000808778277 630677045 /nfs/dbraw/zinc/67/70/45/630677045.db2.gz QOKPFLJJPXGAQW-CYBMUJFWSA-N 1 1 291.366 3.356 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](C3CC3)C2)c1O ZINC000808778277 630677048 /nfs/dbraw/zinc/67/70/48/630677048.db2.gz QOKPFLJJPXGAQW-CYBMUJFWSA-N 1 1 291.366 3.356 20 10 CGCDMO C[C@H](CO)[N@H+](Cc1cc(Cl)ccc1O)CC1CCC1 ZINC000809665639 630778513 /nfs/dbraw/zinc/77/85/13/630778513.db2.gz YBCIIIOEQHLDQH-LLVKDONJSA-N 1 1 283.799 3.029 20 10 CGCDMO CN(C)CC[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000809729466 630793149 /nfs/dbraw/zinc/79/31/49/630793149.db2.gz JEEDTILDZUCIQZ-UHFFFAOYSA-N 1 1 284.403 3.053 20 10 CGCDMO CN(CC[NH+](C)C)Cc1cc(-c2ccccc2)ccc1O ZINC000809729466 630793154 /nfs/dbraw/zinc/79/31/54/630793154.db2.gz JEEDTILDZUCIQZ-UHFFFAOYSA-N 1 1 284.403 3.053 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000809728886 630793769 /nfs/dbraw/zinc/79/37/69/630793769.db2.gz KMHMRXJCODKGSZ-HNNXBMFYSA-N 1 1 284.359 3.133 20 10 CGCDMO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(OC)ccc1O ZINC000809765581 630801918 /nfs/dbraw/zinc/80/19/18/630801918.db2.gz OYAKSNKUTVKRRV-INIZCTEOSA-N 1 1 286.375 3.379 20 10 CGCDMO C[N@@H+](Cc1cc(Cl)ccc1O)C1CCC(CO)CC1 ZINC000809764283 630802160 /nfs/dbraw/zinc/80/21/60/630802160.db2.gz HUQVEEPGRPOWCP-UHFFFAOYSA-N 1 1 283.799 3.029 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000809786932 630808860 /nfs/dbraw/zinc/80/88/60/630808860.db2.gz OQPDAJUJGHTTGM-CQSZACIVSA-N 1 1 275.392 3.413 20 10 CGCDMO CCCC[N@H+](C)C[C@@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000810163476 630849031 /nfs/dbraw/zinc/84/90/31/630849031.db2.gz VNYCZOUVJMCDLK-CQSZACIVSA-N 1 1 295.446 3.102 20 10 CGCDMO CCCC[N@@H+](C)C[C@@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000810163476 630849036 /nfs/dbraw/zinc/84/90/36/630849036.db2.gz VNYCZOUVJMCDLK-CQSZACIVSA-N 1 1 295.446 3.102 20 10 CGCDMO COc1cccc(O)c1CNc1cc(C2CC2)cc[nH+]1 ZINC000810175632 630849605 /nfs/dbraw/zinc/84/96/05/630849605.db2.gz PROCWLTVBDGSJR-UHFFFAOYSA-N 1 1 270.332 3.285 20 10 CGCDMO Cc1cccc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)c1O ZINC000811513942 631081681 /nfs/dbraw/zinc/08/16/81/631081681.db2.gz WVKCUXULJSNVEP-MRXNPFEDSA-N 1 1 257.377 3.465 20 10 CGCDMO CC(C)[N@@H+](Cc1cc2c(cc1O)CCCC2)[C@H]1CCOC1 ZINC000812291185 631235599 /nfs/dbraw/zinc/23/55/99/631235599.db2.gz NSDYSCZKHRMSST-KRWDZBQOSA-N 1 1 289.419 3.270 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1ccc(F)cc1O ZINC000812738604 631300291 /nfs/dbraw/zinc/30/02/91/631300291.db2.gz XKKBEHSWVSYDRY-NSHDSACASA-N 1 1 299.349 3.269 20 10 CGCDMO Cc1cc(C[N@H+]2CCOCC23CCCC3)ccc1N(C)C ZINC000815078155 631712714 /nfs/dbraw/zinc/71/27/14/631712714.db2.gz POGCLNHLZPCXRT-UHFFFAOYSA-N 1 1 288.435 3.206 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815092298 631715184 /nfs/dbraw/zinc/71/51/84/631715184.db2.gz YSNWZPXOCOFUHV-INIZCTEOSA-N 1 1 276.424 3.062 20 10 CGCDMO Cc1cc(C[N@@H+]2CCSCC[C@H]2C)ccc1N(C)C ZINC000815100107 631716016 /nfs/dbraw/zinc/71/60/16/631716016.db2.gz CHHZSVDNEWHLGL-CQSZACIVSA-N 1 1 278.465 3.388 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cc1 ZINC000815102650 631717895 /nfs/dbraw/zinc/71/78/95/631717895.db2.gz LDLHZHOHEDMIPK-RDTXWAMCSA-N 1 1 288.435 3.142 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000815113560 631720412 /nfs/dbraw/zinc/72/04/12/631720412.db2.gz GXIAKOBHXSLFRL-ROUUACIJSA-N 1 1 288.435 3.286 20 10 CGCDMO C[C@@H]([NH2+]C1CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000815561743 631795169 /nfs/dbraw/zinc/79/51/69/631795169.db2.gz OVJBTAUCTRVWQR-SECBINFHSA-N 1 1 289.297 3.241 20 10 CGCDMO CCOCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815561059 631795723 /nfs/dbraw/zinc/79/57/23/631795723.db2.gz XFDOSBNCMRLEFY-VIFPVBQESA-N 1 1 277.286 3.098 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCOC1)c1cccc(C(F)(F)F)c1O ZINC000815565343 631796136 /nfs/dbraw/zinc/79/61/36/631796136.db2.gz LETMAGLCEUOOBQ-VHSXEESVSA-N 1 1 289.297 3.098 20 10 CGCDMO CCCC[N@@H+](CCO)Cc1ccc2ccccc2c1O ZINC000816481376 631989397 /nfs/dbraw/zinc/98/93/97/631989397.db2.gz SPFYWBJVDSMZQK-UHFFFAOYSA-N 1 1 273.376 3.140 20 10 CGCDMO Cc1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)n1 ZINC000816535253 632006051 /nfs/dbraw/zinc/00/60/51/632006051.db2.gz KDEMVWZXWMDKGM-UHFFFAOYSA-N 1 1 280.730 3.178 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CCNc1ccccc1 ZINC000816554506 632009688 /nfs/dbraw/zinc/00/96/88/632009688.db2.gz AIFMSQYPCGLYNE-UHFFFAOYSA-N 1 1 294.757 3.386 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1cccc(F)n1 ZINC000816557836 632011936 /nfs/dbraw/zinc/01/19/36/632011936.db2.gz DCVDJSHONWGABK-UHFFFAOYSA-N 1 1 284.693 3.009 20 10 CGCDMO C[N@@H+](Cc1ccc2ccccc2c1O)[C@H]1CCCOC1 ZINC000816608117 632022464 /nfs/dbraw/zinc/02/24/64/632022464.db2.gz POFVJXLFGKHTRA-HNNXBMFYSA-N 1 1 271.360 3.156 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000816667067 632042207 /nfs/dbraw/zinc/04/22/07/632042207.db2.gz BWFGBTXQQQPKCP-OAHLLOKOSA-N 1 1 295.810 3.437 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000816667067 632042210 /nfs/dbraw/zinc/04/22/10/632042210.db2.gz BWFGBTXQQQPKCP-OAHLLOKOSA-N 1 1 295.810 3.437 20 10 CGCDMO CC[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000817415247 632145769 /nfs/dbraw/zinc/14/57/69/632145769.db2.gz PYZVXVVESZRBFS-WDEREUQCSA-N 1 1 287.762 3.232 20 10 CGCDMO Cc1ccc([C@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817938680 632239658 /nfs/dbraw/zinc/23/96/58/632239658.db2.gz PLYJKAKVEXSMIP-KXBFYZLASA-N 1 1 297.446 3.412 20 10 CGCDMO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCCc3occc32)cc1 ZINC000817942239 632240839 /nfs/dbraw/zinc/24/08/39/632240839.db2.gz NEFMXYLMCZIPLU-IAGOWNOFSA-N 1 1 299.418 3.013 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CNCC[C@H]2C)c1O ZINC000817968032 632261689 /nfs/dbraw/zinc/26/16/89/632261689.db2.gz GHHLILGQETYSPG-PUYPPJJSSA-N 1 1 282.815 3.003 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000817966378 632261826 /nfs/dbraw/zinc/26/18/26/632261826.db2.gz MHWTVICOLOLXFS-QAPCUYQASA-N 1 1 289.467 3.183 20 10 CGCDMO CC[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000817986524 632274565 /nfs/dbraw/zinc/27/45/65/632274565.db2.gz QYJRAKMMVCVYJB-HNNXBMFYSA-N 1 1 294.826 3.396 20 10 CGCDMO Cc1cccc(C[N@H+](C)C[C@@](C)(O)c2ccccc2)c1O ZINC000822516811 632956115 /nfs/dbraw/zinc/95/61/15/632956115.db2.gz QLIGTZSVJTZQIG-GOSISDBHSA-N 1 1 285.387 3.040 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1ccc(F)cc1O ZINC000866530027 633176018 /nfs/dbraw/zinc/17/60/18/633176018.db2.gz VSXBYAAZOXKRKE-OLZOCXBDSA-N 1 1 293.382 3.389 20 10 CGCDMO CC[C@H](C)[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)OC ZINC000824597561 633263046 /nfs/dbraw/zinc/26/30/46/633263046.db2.gz URGPYWJHRSBVQY-LKFCYVNXSA-N 1 1 289.778 3.335 20 10 CGCDMO Oc1cc(Br)ccc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000824894539 633303342 /nfs/dbraw/zinc/30/33/42/633303342.db2.gz HIPXNMBQXIANPW-LLVKDONJSA-N 1 1 296.208 3.387 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000825134294 633331893 /nfs/dbraw/zinc/33/18/93/633331893.db2.gz XZWFTCFKCDBMKG-OAHLLOKOSA-N 1 1 299.773 3.187 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000825134294 633331896 /nfs/dbraw/zinc/33/18/96/633331896.db2.gz XZWFTCFKCDBMKG-OAHLLOKOSA-N 1 1 299.773 3.187 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCc3sccc3C2)c1O ZINC000122537834 633433299 /nfs/dbraw/zinc/43/32/99/633433299.db2.gz NPZRBBCJKXCWBX-UHFFFAOYSA-N 1 1 289.400 3.329 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1O ZINC000827376881 633487031 /nfs/dbraw/zinc/48/70/31/633487031.db2.gz KIWCTNVVTPXPID-DOTOQJQBSA-N 1 1 289.419 3.482 20 10 CGCDMO Cc1cc(C[N@H+]2CCOC[C@H]2C)ccc1N1CCCCC1 ZINC000827400935 633488904 /nfs/dbraw/zinc/48/89/04/633488904.db2.gz VCUWNJDYVARTBE-MRXNPFEDSA-N 1 1 288.435 3.206 20 10 CGCDMO Cc1cc(C[N@@H+]2CCOC[C@H]2C)ccc1N1CCCCC1 ZINC000827400935 633488908 /nfs/dbraw/zinc/48/89/08/633488908.db2.gz VCUWNJDYVARTBE-MRXNPFEDSA-N 1 1 288.435 3.206 20 10 CGCDMO COCCC[N@@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000827501424 633494712 /nfs/dbraw/zinc/49/47/12/633494712.db2.gz QLVRZXALHTXLDX-UHFFFAOYSA-N 1 1 290.451 3.454 20 10 CGCDMO Cc1cc(C[N@H+]2CCCOCC2)ccc1N1CCCCC1 ZINC000827583886 633501157 /nfs/dbraw/zinc/50/11/57/633501157.db2.gz NOIZUWJSEFLKGB-UHFFFAOYSA-N 1 1 288.435 3.208 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c1O ZINC000827640669 633505954 /nfs/dbraw/zinc/50/59/54/633505954.db2.gz ZTEDNZBYGIXFOO-QGZVFWFLSA-N 1 1 283.371 3.354 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](CCC1CC1)CC1CC1 ZINC000827729087 633513047 /nfs/dbraw/zinc/51/30/47/633513047.db2.gz QZVHHNZMQNOMRH-UHFFFAOYSA-N 1 1 275.392 3.413 20 10 CGCDMO C[N@@H+](CC1=CCSC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000827804975 633519009 /nfs/dbraw/zinc/51/90/09/633519009.db2.gz DELIUCWAELUVGV-UHFFFAOYSA-N 1 1 287.787 3.290 20 10 CGCDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc(N(C)C)cc3)c2C[C@H]1C ZINC000830918592 633897898 /nfs/dbraw/zinc/89/78/98/633897898.db2.gz GCMLVKDJKUHDHM-ZIAGYGMSSA-N 1 1 283.419 3.368 20 10 CGCDMO CCC[N@@H+](Cc1ccc(N(C)C)nc1)Cc1ccccc1O ZINC000124044060 634111433 /nfs/dbraw/zinc/11/14/33/634111433.db2.gz BHYJRFJIYAGAMW-UHFFFAOYSA-N 1 1 299.418 3.265 20 10 CGCDMO COc1cc(C)cc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1O ZINC000872711758 634193361 /nfs/dbraw/zinc/19/33/61/634193361.db2.gz AMSRJGONCQVSMO-OKILXGFUSA-N 1 1 273.376 3.107 20 10 CGCDMO COCC(C)(C)CC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000873153006 634259743 /nfs/dbraw/zinc/25/97/43/634259743.db2.gz RXSFLRGJILTZRL-UHFFFAOYSA-N 1 1 289.778 3.337 20 10 CGCDMO CCc1nc(C[NH2+][C@H](C)c2cc(C)ccc2O)co1 ZINC000834899103 634275661 /nfs/dbraw/zinc/27/56/61/634275661.db2.gz OSZDQYPDXPVIIR-LLVKDONJSA-N 1 1 260.337 3.102 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)Cc2ccco2)cc1 ZINC000835025302 634324317 /nfs/dbraw/zinc/32/43/17/634324317.db2.gz HMOUTTGWLJFXHE-XQRVVYSFSA-N 1 1 270.376 3.491 20 10 CGCDMO C[C@H]1CSCC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835027763 634326518 /nfs/dbraw/zinc/32/65/18/634326518.db2.gz GTOKHHUFOOCBCQ-WSNITJDQSA-N 1 1 276.449 3.203 20 10 CGCDMO CC[NH+](CC)C[C@@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835038508 634328830 /nfs/dbraw/zinc/32/88/30/634328830.db2.gz SZIHWVBKTJAPLP-ROJDOSBLSA-N 1 1 289.467 3.086 20 10 CGCDMO Cc1cc(C[C@@H](C)[NH2+]C/C=C/c2ccc(N(C)C)cc2)n[nH]1 ZINC000835043918 634331604 /nfs/dbraw/zinc/33/16/04/634331604.db2.gz VZVHQXVRRFTVQR-VBROQKIQSA-N 1 1 298.434 3.018 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+](CC(C)(C)O)C2CC2)cc1 ZINC000835045986 634332422 /nfs/dbraw/zinc/33/24/22/634332422.db2.gz MVAZHVXUYCYWQY-AATRIKPKSA-N 1 1 288.435 3.001 20 10 CGCDMO COCC(C)(C)[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835055775 634339458 /nfs/dbraw/zinc/33/94/58/634339458.db2.gz OLENEVFQGWJCRH-FPLPWBNLSA-N 1 1 276.424 3.123 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000876547601 634854672 /nfs/dbraw/zinc/85/46/72/634854672.db2.gz WDVOVIWYETWUJM-UHFFFAOYSA-N 1 1 285.343 3.061 20 10 CGCDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2c(C)cccc2O)no1 ZINC000876591520 634863314 /nfs/dbraw/zinc/86/33/14/634863314.db2.gz KBDRPRXIZHCQHP-HNNXBMFYSA-N 1 1 272.348 3.334 20 10 CGCDMO CC1(C)CCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876660884 634876868 /nfs/dbraw/zinc/87/68/68/634876868.db2.gz AZWIGRJWAWENGP-UHFFFAOYSA-N 1 1 288.435 3.022 20 10 CGCDMO Cc1ccc(C[N@H+]2CCO[C@H](c3ccsc3)C2)c(O)c1 ZINC000876778938 634897533 /nfs/dbraw/zinc/89/75/33/634897533.db2.gz SNQRILQFDAPHRM-INIZCTEOSA-N 1 1 289.400 3.336 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000877194657 635011461 /nfs/dbraw/zinc/01/14/61/635011461.db2.gz BKDFNOHMXZHGKJ-INIZCTEOSA-N 1 1 282.387 3.160 20 10 CGCDMO COCC[C@@H]1CCCC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000877398273 635034493 /nfs/dbraw/zinc/03/44/93/635034493.db2.gz ODSQIRQPNBDJJE-HNNXBMFYSA-N 1 1 277.408 3.339 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000877500075 635062798 /nfs/dbraw/zinc/06/27/98/635062798.db2.gz AYMZGQVBUFFAAJ-CQSZACIVSA-N 1 1 268.360 3.085 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)c(O)c1 ZINC000877524036 635072084 /nfs/dbraw/zinc/07/20/84/635072084.db2.gz QJEYCNVVVDRCNT-INIZCTEOSA-N 1 1 268.360 3.433 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](OC(F)F)C2)c(Cl)c1 ZINC000840943171 635088000 /nfs/dbraw/zinc/08/80/00/635088000.db2.gz ISMADNRCNIDDEH-VIFPVBQESA-N 1 1 291.725 3.168 20 10 CGCDMO CCOc1ccccc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703744 635155434 /nfs/dbraw/zinc/15/54/34/635155434.db2.gz SBXHRFIBAKSSDH-UHFFFAOYSA-N 1 1 269.344 3.307 20 10 CGCDMO CCOc1ccccc1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877703744 635155435 /nfs/dbraw/zinc/15/54/35/635155435.db2.gz SBXHRFIBAKSSDH-UHFFFAOYSA-N 1 1 269.344 3.307 20 10 CGCDMO COCCCC[N@@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000841692555 635214067 /nfs/dbraw/zinc/21/40/67/635214067.db2.gz SCNQBBNJAWWVJH-UHFFFAOYSA-N 1 1 277.408 3.129 20 10 CGCDMO C[C@H](CC(C)(C)O)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841757694 635231169 /nfs/dbraw/zinc/23/11/69/635231169.db2.gz PFJRBQNMMFANCW-ZJUUUORDSA-N 1 1 271.788 3.246 20 10 CGCDMO C[C@H](CCCO)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841757139 635231493 /nfs/dbraw/zinc/23/14/93/635231493.db2.gz MLXGFDWDPGHTIC-MNOVXSKESA-N 1 1 271.788 3.105 20 10 CGCDMO CCc1nc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)co1 ZINC000841759303 635233028 /nfs/dbraw/zinc/23/30/28/635233028.db2.gz YJUPMSHDWGIIDO-SECBINFHSA-N 1 1 280.755 3.447 20 10 CGCDMO COCCCC[N@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000841894116 635248470 /nfs/dbraw/zinc/24/84/70/635248470.db2.gz NTLUYWKJRRJKSC-UHFFFAOYSA-N 1 1 275.751 3.043 20 10 CGCDMO COCCCC[N@@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000841894116 635248475 /nfs/dbraw/zinc/24/84/75/635248475.db2.gz NTLUYWKJRRJKSC-UHFFFAOYSA-N 1 1 275.751 3.043 20 10 CGCDMO COCCCC[N@@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000841893575 635249030 /nfs/dbraw/zinc/24/90/30/635249030.db2.gz GVLDTHVTSZOXMJ-UHFFFAOYSA-N 1 1 271.788 3.212 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCSC[C@H]2C2CCC2)c1 ZINC000841893028 635249186 /nfs/dbraw/zinc/24/91/86/635249186.db2.gz CEJVVMWRPLCWDW-HNNXBMFYSA-N 1 1 293.432 3.118 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)CCCCOC)cc1 ZINC000842170672 635304414 /nfs/dbraw/zinc/30/44/14/635304414.db2.gz AYEOIDXEAKICGT-UHFFFAOYSA-N 1 1 264.413 3.001 20 10 CGCDMO CCc1ccc([C@H]2CNCC[N@@H+]2Cc2ccccc2O)cc1 ZINC000843118572 635560508 /nfs/dbraw/zinc/56/05/08/635560508.db2.gz MQMHOVVCJINLDQ-GOSISDBHSA-N 1 1 296.414 3.101 20 10 CGCDMO CCc1ccc([C@H]2CNCC[N@H+]2Cc2ccccc2O)cc1 ZINC000843118572 635560538 /nfs/dbraw/zinc/56/05/38/635560538.db2.gz MQMHOVVCJINLDQ-GOSISDBHSA-N 1 1 296.414 3.101 20 10 CGCDMO CC(C)O[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843414288 635661867 /nfs/dbraw/zinc/66/18/67/635661867.db2.gz ZEKIZSWTMHOCRP-SNVBAGLBSA-N 1 1 287.762 3.184 20 10 CGCDMO CC(C)O[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843414288 635661871 /nfs/dbraw/zinc/66/18/71/635661871.db2.gz ZEKIZSWTMHOCRP-SNVBAGLBSA-N 1 1 287.762 3.184 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000843433154 635674357 /nfs/dbraw/zinc/67/43/57/635674357.db2.gz VDJJDDHWOHJBBY-HNNXBMFYSA-N 1 1 288.435 3.204 20 10 CGCDMO CC[N@H+](CCSC)Cc1cc(Cl)c(F)cc1O ZINC000843437302 635676070 /nfs/dbraw/zinc/67/60/70/635676070.db2.gz AOBILODWZWBNHN-UHFFFAOYSA-N 1 1 277.792 3.370 20 10 CGCDMO CC[N@@H+](CCSC)Cc1cc(Cl)c(F)cc1O ZINC000843437302 635676074 /nfs/dbraw/zinc/67/60/74/635676074.db2.gz AOBILODWZWBNHN-UHFFFAOYSA-N 1 1 277.792 3.370 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(C)c(C)cc2O)[C@H](C)CO1 ZINC000844729337 635957243 /nfs/dbraw/zinc/95/72/43/635957243.db2.gz HSXRYMFUESTGKS-UKRRQHHQSA-N 1 1 263.381 3.008 20 10 CGCDMO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cc(C)ccc1O ZINC000846117865 636146910 /nfs/dbraw/zinc/14/69/10/636146910.db2.gz HPKSVACULBJEAH-AWEZNQCLSA-N 1 1 293.407 3.253 20 10 CGCDMO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(C)ccc1O ZINC000846117865 636146913 /nfs/dbraw/zinc/14/69/13/636146913.db2.gz HPKSVACULBJEAH-AWEZNQCLSA-N 1 1 293.407 3.253 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846117149 636146960 /nfs/dbraw/zinc/14/69/60/636146960.db2.gz NMBXZTCOHQEPJJ-GFCCVEGCSA-N 1 1 273.710 3.277 20 10 CGCDMO C[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1ccc(F)cc1O ZINC000846186747 636156479 /nfs/dbraw/zinc/15/64/79/636156479.db2.gz FTJPVROQYJDRDB-PIGZYNQJSA-N 1 1 293.382 3.387 20 10 CGCDMO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C12CCC2 ZINC000883017832 636507504 /nfs/dbraw/zinc/50/75/04/636507504.db2.gz COBMCSYVMWACTG-KGLIPLIRSA-N 1 1 297.345 3.108 20 10 CGCDMO CCO[C@@H](CC[NH2+]Cc1cc(F)cc(F)c1O)C(C)C ZINC000883026942 636510255 /nfs/dbraw/zinc/51/02/55/636510255.db2.gz KJTOLTZCTWHJMZ-AWEZNQCLSA-N 1 1 287.350 3.211 20 10 CGCDMO Cc1cnc(CC[NH2+]Cc2cc(F)cc(F)c2O)c(C)c1 ZINC000883161995 636559644 /nfs/dbraw/zinc/55/96/44/636559644.db2.gz HEVOTNCSASCUOC-UHFFFAOYSA-N 1 1 292.329 3.015 20 10 CGCDMO CCc1cccc(C[N@H+]2CCO[C@H](c3ccco3)C2)c1O ZINC000848889554 636676048 /nfs/dbraw/zinc/67/60/48/636676048.db2.gz MEDLLQHCKAIATR-INIZCTEOSA-N 1 1 287.359 3.121 20 10 CGCDMO CCc1cccc(C[N@H+]2CCO[C@@H](c3ccco3)C2)c1O ZINC000848889555 636677931 /nfs/dbraw/zinc/67/79/31/636677931.db2.gz MEDLLQHCKAIATR-MRXNPFEDSA-N 1 1 287.359 3.121 20 10 CGCDMO COC[C@H](C)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000131905564 636764133 /nfs/dbraw/zinc/76/41/33/636764133.db2.gz MBBCMVHRCGUXGT-MRXNPFEDSA-N 1 1 290.451 3.391 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000884482709 637041395 /nfs/dbraw/zinc/04/13/95/637041395.db2.gz GSJCFEXGQLQWOP-GOEBONIOSA-N 1 1 275.392 3.010 20 10 CGCDMO C[C@@H]([NH2+]CC1SCCS1)c1cc(F)cc(F)c1O ZINC000850559470 637122727 /nfs/dbraw/zinc/12/27/27/637122727.db2.gz BQGXFYKCPVNADW-SSDOTTSWSA-N 1 1 291.388 3.127 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)[C@H](C)c1nnc(CC)[nH]1 ZINC000851792914 637505596 /nfs/dbraw/zinc/50/55/96/637505596.db2.gz UITPMUNOGACFOX-GFCCVEGCSA-N 1 1 288.395 3.046 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)c1nnc(CC)[nH]1 ZINC000851792914 637505599 /nfs/dbraw/zinc/50/55/99/637505599.db2.gz UITPMUNOGACFOX-GFCCVEGCSA-N 1 1 288.395 3.046 20 10 CGCDMO CCC(CC)(CCO)C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886534702 637559797 /nfs/dbraw/zinc/55/97/97/637559797.db2.gz MXWFKYNIYFMQLV-GFCCVEGCSA-N 1 1 283.387 3.371 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1c(O)cccc1F ZINC000886540875 637564896 /nfs/dbraw/zinc/56/48/96/637564896.db2.gz LZWMWTXRXSOZPT-MEDZGJRSSA-N 1 1 279.355 3.140 20 10 CGCDMO CCOCCC1(C[NH2+][C@@H](C)c2c(O)cccc2F)CC1 ZINC000886555611 637580151 /nfs/dbraw/zinc/58/01/51/637580151.db2.gz XDANBWLUPPGGJB-LBPRGKRZSA-N 1 1 281.371 3.389 20 10 CGCDMO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1c(O)cccc1F ZINC000886562392 637583289 /nfs/dbraw/zinc/58/32/89/637583289.db2.gz YLPLKFRPPJNTOO-DPDCMNJDSA-N 1 1 291.366 3.140 20 10 CGCDMO COCC1(CC[NH2+][C@@H](C)c2c(O)cccc2F)CCC1 ZINC000886616204 637609565 /nfs/dbraw/zinc/60/95/65/637609565.db2.gz WUPZFMYZGBYJQU-LBPRGKRZSA-N 1 1 281.371 3.389 20 10 CGCDMO Cc1ccc(CC[NH2+][C@H](C)c2c(O)cccc2F)nc1 ZINC000886624136 637614847 /nfs/dbraw/zinc/61/48/47/637614847.db2.gz YFPJLHLMMGDGSU-GFCCVEGCSA-N 1 1 274.339 3.128 20 10 CGCDMO COC1([C@H](C)[NH2+][C@H](C)c2c(O)cccc2F)CCC1 ZINC000886627054 637616261 /nfs/dbraw/zinc/61/62/61/637616261.db2.gz RPRLEVDQCJFSSC-MNOVXSKESA-N 1 1 267.344 3.140 20 10 CGCDMO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2O)c(C)c1 ZINC000111236507 637805510 /nfs/dbraw/zinc/80/55/10/637805510.db2.gz NMLNGZNEAKXAPO-UHFFFAOYSA-N 1 1 298.386 3.080 20 10 CGCDMO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2O)c(C)c1 ZINC000111236507 637805513 /nfs/dbraw/zinc/80/55/13/637805513.db2.gz NMLNGZNEAKXAPO-UHFFFAOYSA-N 1 1 298.386 3.080 20 10 CGCDMO Cc1cc(Cl)cc([C@@H](C)NCC2([NH3+])CCCC2)c1O ZINC000854222840 638025997 /nfs/dbraw/zinc/02/59/97/638025997.db2.gz LPSQUYYXBDFGFR-LLVKDONJSA-N 1 1 282.815 3.276 20 10 CGCDMO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccccc1O ZINC000854222967 638026585 /nfs/dbraw/zinc/02/65/85/638026585.db2.gz PSDGMQGPWXWZLT-BMGDILEWSA-N 1 1 296.414 3.189 20 10 CGCDMO Cc1nccnc1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000857021166 638429825 /nfs/dbraw/zinc/42/98/25/638429825.db2.gz KDWOBQIEOZVIPO-UHFFFAOYSA-N 1 1 297.402 3.435 20 10 CGCDMO C[C@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1cc(F)cc(F)c1O ZINC000927160046 638848822 /nfs/dbraw/zinc/84/88/22/638848822.db2.gz KOURAWFRMZMAJF-IINYFYTJSA-N 1 1 297.345 3.423 20 10 CGCDMO C[C@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1c(O)cccc1F ZINC000927159360 638848900 /nfs/dbraw/zinc/84/89/00/638848900.db2.gz NNIDWWAARIFQBL-FZMZJTMJSA-N 1 1 279.355 3.284 20 10 CGCDMO Oc1ccccc1C[N@@H+](CCOC1CC1)Cc1ccco1 ZINC000929973158 638965614 /nfs/dbraw/zinc/96/56/14/638965614.db2.gz XEBMEOYATFAJPN-UHFFFAOYSA-N 1 1 287.359 3.166 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)[C@H]2CCC[C@H](C)C2)cc1OC ZINC000159780877 640067580 /nfs/dbraw/zinc/06/75/80/640067580.db2.gz GUQNCZFLGHLIDB-JSGCOSHPSA-N 1 1 293.407 3.420 20 10 CGCDMO C[C@H](c1ccccc1)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000194005008 640505800 /nfs/dbraw/zinc/50/58/00/640505800.db2.gz LXJTXVAILCXWQJ-GFCCVEGCSA-N 1 1 285.343 3.314 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2C[C@H](C)O)cc1 ZINC000245713970 640633271 /nfs/dbraw/zinc/63/32/71/640633271.db2.gz GMSGVDVSQAPTAW-YJBOKZPZSA-N 1 1 290.451 3.268 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H](C)N1CCC[C@@H](C)C1)c1ccc(F)cc1O ZINC000248517222 640765466 /nfs/dbraw/zinc/76/54/66/640765466.db2.gz PFVBSZQSNRYSFM-MGPQQGTHSA-N 1 1 294.414 3.302 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCO[C@@](C)(c3ccccc3)C2)c1 ZINC000093341943 640769637 /nfs/dbraw/zinc/76/96/37/640769637.db2.gz OHCVSDBLHRVRHL-LJQANCHMSA-N 1 1 297.398 3.448 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCOC[C@@H]2CC(C)C)c1O ZINC000093340144 640769789 /nfs/dbraw/zinc/76/97/89/640769789.db2.gz SYNBNGCAFUOTDB-HNNXBMFYSA-N 1 1 293.407 3.038 20 10 CGCDMO CCOC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000093419147 640771089 /nfs/dbraw/zinc/77/10/89/640771089.db2.gz BITTVCJVRGXHPA-GFCCVEGCSA-N 1 1 283.799 3.294 20 10 CGCDMO CCCC[C@H](O)C[N@@H+](CC)Cc1ccc(N(C)C)cc1 ZINC001252098898 805994856 /nfs/dbraw/zinc/99/48/56/805994856.db2.gz XGMBWNVRSZTNJO-KRWDZBQOSA-N 1 1 278.440 3.126 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)CCC(F)(F)F)cc1F ZINC000119749612 798987348 /nfs/dbraw/zinc/98/73/48/798987348.db2.gz WUUQWIDNKIDXFC-UHFFFAOYSA-N 1 1 278.293 3.276 20 10 CGCDMO CCOCC(C)(C)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000311842323 799225864 /nfs/dbraw/zinc/22/58/64/799225864.db2.gz ULLZPGVBSPQLSU-NSHDSACASA-N 1 1 269.360 3.245 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000385550184 799427728 /nfs/dbraw/zinc/42/77/28/799427728.db2.gz PRQWYQYICDZBDR-LLVKDONJSA-N 1 1 259.271 3.085 20 10 CGCDMO C[C@H]1COCCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000398921986 799533124 /nfs/dbraw/zinc/53/31/24/799533124.db2.gz LWEKDDFFWMKZNY-ZDUSSCGKSA-N 1 1 271.360 3.156 20 10 CGCDMO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cc(C)ccc1O ZINC000403805118 799571860 /nfs/dbraw/zinc/57/18/60/799571860.db2.gz IIKNRKXJQFEAGI-CABCVRRESA-N 1 1 263.381 3.090 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC[C@H](CCF)C2)c1O ZINC000689883591 799770003 /nfs/dbraw/zinc/77/00/03/799770003.db2.gz GMBCREXGRYFOHK-CYBMUJFWSA-N 1 1 281.371 3.363 20 10 CGCDMO C[N@@H+](CCOC(C)(C)C)Cc1c(O)cccc1Cl ZINC000690115733 799772701 /nfs/dbraw/zinc/77/27/01/799772701.db2.gz QXSTYRCJOYTMCJ-UHFFFAOYSA-N 1 1 271.788 3.293 20 10 CGCDMO CS[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000708555517 799991816 /nfs/dbraw/zinc/99/18/16/799991816.db2.gz NZEWQSDSJPIONH-CHWSQXEVSA-N 1 1 287.375 3.434 20 10 CGCDMO CC[N@@H+](Cc1cc(Cl)cc(OC)c1O)C1CCOCC1 ZINC000716481136 800171874 /nfs/dbraw/zinc/17/18/74/800171874.db2.gz KBAZSIGTKMUAMY-UHFFFAOYSA-N 1 1 299.798 3.055 20 10 CGCDMO C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccc(F)cc1O ZINC000719582790 800244836 /nfs/dbraw/zinc/24/48/36/800244836.db2.gz MPWKASRGEHOJKY-SECBINFHSA-N 1 1 292.379 3.327 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCC1CC=CC1 ZINC000724192735 800357114 /nfs/dbraw/zinc/35/71/14/800357114.db2.gz MIQRYBNNYUJRPW-UHFFFAOYSA-N 1 1 253.292 3.116 20 10 CGCDMO COc1ncc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc1C ZINC001137008167 803671597 /nfs/dbraw/zinc/67/15/97/803671597.db2.gz RLKMMCNEERGJAW-UHFFFAOYSA-N 1 1 299.418 3.097 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2c(O)cccc2F)CCC1(F)F ZINC001137831909 803778201 /nfs/dbraw/zinc/77/82/01/803778201.db2.gz RWJDBKWYFGXNIW-SECBINFHSA-N 1 1 259.271 3.008 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2c(O)cccc2F)CCC1(F)F ZINC001137831909 803778206 /nfs/dbraw/zinc/77/82/06/803778206.db2.gz RWJDBKWYFGXNIW-SECBINFHSA-N 1 1 259.271 3.008 20 10 CGCDMO Cc1ccc2c(c1)CC[N@H+](Cc1c([O-])cccc1F)C2 ZINC001137841319 803781441 /nfs/dbraw/zinc/78/14/41/803781441.db2.gz ADFZSLLMRQTFRC-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO Cc1ccc2c(c1)CC[N@@H+](Cc1c(O)cccc1F)C2 ZINC001137841319 803781446 /nfs/dbraw/zinc/78/14/46/803781446.db2.gz ADFZSLLMRQTFRC-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO Cc1ccc2c(c1)CC[N@H+](Cc1c(O)cccc1F)C2 ZINC001137841319 803781451 /nfs/dbraw/zinc/78/14/51/803781451.db2.gz ADFZSLLMRQTFRC-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO Cc1cc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c(C)n1-c1ccccc1 ZINC001137853974 803783817 /nfs/dbraw/zinc/78/38/17/803783817.db2.gz CRQJIYMKKQQKTB-ACJLOTCBSA-N 1 1 284.403 3.049 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@@H](CO)C2)c(C)n1-c1ccccc1 ZINC001137854487 803786687 /nfs/dbraw/zinc/78/66/87/803786687.db2.gz YMHIYEFKCFAZPL-QGZVFWFLSA-N 1 1 298.430 3.298 20 10 CGCDMO Cc1cc(C[N@H+]2CCOC3(CC3)C2)c(C)n1-c1ccccc1 ZINC001137859304 803788304 /nfs/dbraw/zinc/78/83/04/803788304.db2.gz SFSWTIROXQLLHF-UHFFFAOYSA-N 1 1 296.414 3.459 20 10 CGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCOC2(CC2)C1 ZINC001138222135 803873992 /nfs/dbraw/zinc/87/39/92/803873992.db2.gz IAADJKQIFZFBSI-UHFFFAOYSA-N 1 1 286.419 3.042 20 10 CGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001138215661 803874990 /nfs/dbraw/zinc/87/49/90/803874990.db2.gz NHLBZQDWZOUFSH-QZTJIDSGSA-N 1 1 286.419 3.040 20 10 CGCDMO Cc1c(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c2ccccc2n1C ZINC001138256967 803881080 /nfs/dbraw/zinc/88/10/80/803881080.db2.gz QWUGBVWENXHVEA-HEHGZKQESA-N 1 1 272.367 3.419 20 10 CGCDMO Cc1c(C[N@H+]2CCOCC23CCC3)c2ccccc2n1C ZINC001138257931 803884401 /nfs/dbraw/zinc/88/44/01/803884401.db2.gz DRTNVMCNAWNLDQ-UHFFFAOYSA-N 1 1 284.403 3.242 20 10 CGCDMO CN1CCCc2cc(C[N@@H+](C)CCC3CC3)ccc21 ZINC001138356354 803899882 /nfs/dbraw/zinc/89/98/82/803899882.db2.gz MBHOMUXOWAATFH-UHFFFAOYSA-N 1 1 258.409 3.301 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3C[C@H]4CC[C@@H]3C4)ccc21 ZINC001138356549 803900736 /nfs/dbraw/zinc/90/07/36/803900736.db2.gz QWLOAWAVHPMHFX-GOEBONIOSA-N 1 1 256.393 3.053 20 10 CGCDMO C[C@H]1c2cccn2CC[N@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138356537 803901061 /nfs/dbraw/zinc/90/10/61/803901061.db2.gz QQRJQKGCUOITRE-HNNXBMFYSA-N 1 1 295.430 3.447 20 10 CGCDMO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138356537 803901066 /nfs/dbraw/zinc/90/10/66/803901066.db2.gz QQRJQKGCUOITRE-HNNXBMFYSA-N 1 1 295.430 3.447 20 10 CGCDMO CN1CCCc2cc(C[N@@H+](C)CCc3ccncc3)ccc21 ZINC001138357523 803902229 /nfs/dbraw/zinc/90/22/29/803902229.db2.gz HYCWXARHCHQLPN-UHFFFAOYSA-N 1 1 295.430 3.139 20 10 CGCDMO COCC[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC001139672450 804247838 /nfs/dbraw/zinc/24/78/38/804247838.db2.gz XLPYYTVCDGXOJN-QGZVFWFLSA-N 1 1 290.451 3.452 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@@](C)(O)[C@@H](C)C2)ccc1N(C)C ZINC001139669884 804248478 /nfs/dbraw/zinc/24/84/78/804248478.db2.gz QYOHNTGFQFMEOE-MAUKXSAKSA-N 1 1 290.451 3.044 20 10 CGCDMO COCC[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC001139672449 804248507 /nfs/dbraw/zinc/24/85/07/804248507.db2.gz XLPYYTVCDGXOJN-KRWDZBQOSA-N 1 1 290.451 3.452 20 10 CGCDMO Cc1cnc2c(c1)C[N@@H+](Cc1ccc(N(C)C)c(C)c1)CC2 ZINC001139673533 804248632 /nfs/dbraw/zinc/24/86/32/804248632.db2.gz JJFWNAAACYBIPK-UHFFFAOYSA-N 1 1 295.430 3.323 20 10 CGCDMO COCc1ccc(C[N@@H+](C)Cc2ccccc2O)s1 ZINC001139830891 804293517 /nfs/dbraw/zinc/29/35/17/804293517.db2.gz FEWAHZHLAJSECH-UHFFFAOYSA-N 1 1 277.389 3.232 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@@H](c3cccnc3)C2)c1O ZINC001140179330 804396609 /nfs/dbraw/zinc/39/66/09/804396609.db2.gz HTVUKLGIOYKCIX-MRXNPFEDSA-N 1 1 282.387 3.394 20 10 CGCDMO Cc1cnc2c(c1)C[N@H+](Cc1c(C)ccc(C)c1O)CC2 ZINC001140185046 804397997 /nfs/dbraw/zinc/39/79/97/804397997.db2.gz PCNXFZRCQSIPFC-UHFFFAOYSA-N 1 1 282.387 3.271 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CC2CCC1CC2 ZINC001140466194 804443848 /nfs/dbraw/zinc/44/38/48/804443848.db2.gz ASYNCAAWPIEGIF-UHFFFAOYSA-N 1 1 251.757 3.420 20 10 CGCDMO CC1(C)C[N@@H+](Cc2ccc(Cl)cc2O)CCCO1 ZINC001140466236 804444352 /nfs/dbraw/zinc/44/43/52/804444352.db2.gz CDWMAXUVAYJIMT-UHFFFAOYSA-N 1 1 269.772 3.047 20 10 CGCDMO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H](C)[C@H](C)C2)c1O ZINC001140742163 804503445 /nfs/dbraw/zinc/50/34/45/804503445.db2.gz JFGADYBWMLJGRZ-VXGBXAGGSA-N 1 1 263.381 3.274 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c(O)c1 ZINC001140954086 804558491 /nfs/dbraw/zinc/55/84/91/804558491.db2.gz LDXAYGBFECQMOD-QGZVFWFLSA-N 1 1 295.382 3.405 20 10 CGCDMO Cc1ccc(C[N@@H+](C)CCC(=O)c2cccs2)c(O)c1 ZINC001140958025 804558998 /nfs/dbraw/zinc/55/89/98/804558998.db2.gz QAMHGHVEWLVEAP-UHFFFAOYSA-N 1 1 289.400 3.467 20 10 CGCDMO CC(C)C[N@@H+](C)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074711 804584875 /nfs/dbraw/zinc/58/48/75/804584875.db2.gz RSBIEWQPRRTNEY-UHFFFAOYSA-N 1 1 272.436 3.473 20 10 CGCDMO CC1(C)[C@@H]2C[N@H+](Cc3cc4c5c(c3)CCCN5CCC4)C[C@@H]21 ZINC001141076266 804585693 /nfs/dbraw/zinc/58/56/93/804585693.db2.gz PKKNCZAVRJFTQA-HDICACEKSA-N 1 1 296.458 3.473 20 10 CGCDMO CC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141143950 804596537 /nfs/dbraw/zinc/59/65/37/804596537.db2.gz PLTKQDWJMUHELN-CQSZACIVSA-N 1 1 274.408 3.137 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC001141156655 804599415 /nfs/dbraw/zinc/59/94/15/804599415.db2.gz PWDGWIDVCTTWEG-AWEZNQCLSA-N 1 1 269.344 3.087 20 10 CGCDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141156646 804599943 /nfs/dbraw/zinc/59/99/43/804599943.db2.gz PPYOZVLWRXWSAH-CYBMUJFWSA-N 1 1 299.370 3.096 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CCCC3(CC(F)C3)CC2)c1 ZINC001141161171 804601687 /nfs/dbraw/zinc/60/16/87/804601687.db2.gz NVHXVFGBKMNAMW-UHFFFAOYSA-N 1 1 279.355 3.202 20 10 CGCDMO C[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C1CC1 ZINC001141367633 804634699 /nfs/dbraw/zinc/63/46/99/804634699.db2.gz ISWBZYNWSDUEDE-UHFFFAOYSA-N 1 1 290.588 3.402 20 10 CGCDMO [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001142524783 804732477 /nfs/dbraw/zinc/73/24/77/804732477.db2.gz KOMGGMXZNQUYEL-HZMBPMFUSA-N 1 1 267.319 3.435 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001142524783 804732481 /nfs/dbraw/zinc/73/24/81/804732481.db2.gz KOMGGMXZNQUYEL-HZMBPMFUSA-N 1 1 267.319 3.435 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001142524783 804732483 /nfs/dbraw/zinc/73/24/83/804732483.db2.gz KOMGGMXZNQUYEL-HZMBPMFUSA-N 1 1 267.319 3.435 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)C[C@@H]1F ZINC001143103397 804801321 /nfs/dbraw/zinc/80/13/21/804801321.db2.gz BWPJGAQOLHPHOA-RISCZKNCSA-N 1 1 265.372 3.480 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)CC[C@@]1(C)O ZINC001143104520 804801926 /nfs/dbraw/zinc/80/19/26/804801926.db2.gz USLWGZIFHAAIFM-SCLBCKFNSA-N 1 1 291.435 3.283 20 10 CGCDMO CC(C)(C)c1cccc(C[N@@H+]2CCc3ncncc3C2)c1O ZINC001143110334 804803569 /nfs/dbraw/zinc/80/35/69/804803569.db2.gz DGZMFSLJACFMJT-UHFFFAOYSA-N 1 1 297.402 3.038 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CCc3ncncc3C2)c1O ZINC001143110334 804803572 /nfs/dbraw/zinc/80/35/72/804803572.db2.gz DGZMFSLJACFMJT-UHFFFAOYSA-N 1 1 297.402 3.038 20 10 CGCDMO CC[N@@H+](Cc1ccc(C)cc1)Cc1c(O)cc(O)cc1O ZINC001144516208 804997830 /nfs/dbraw/zinc/99/78/30/804997830.db2.gz TVOLAWVZIKQGBF-UHFFFAOYSA-N 1 1 287.359 3.134 20 10 CGCDMO COCC[N@@H+](C)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248880277 805030311 /nfs/dbraw/zinc/03/03/11/805030311.db2.gz HZUBATLXYCHQAY-UHFFFAOYSA-N 1 1 285.815 3.421 20 10 CGCDMO CC(=O)c1cccc(O)c1Nc1cc[nH+]cc1C(F)(F)F ZINC001249593932 805185252 /nfs/dbraw/zinc/18/52/52/805185252.db2.gz SZACEFXAGMLXBC-UHFFFAOYSA-N 1 1 296.248 3.174 20 10 CGCDMO Cc1cc(C[N@@H+]2CCC[C@H]2C)c(O)cc1Br ZINC001250116932 805425867 /nfs/dbraw/zinc/42/58/67/805425867.db2.gz ISRJHDOQJSADKJ-SNVBAGLBSA-N 1 1 284.197 3.447 20 10 CGCDMO COc1ccc(N2CCC[N@@H+](CCC3CCC3)CC2)cc1 ZINC001167107858 807152570 /nfs/dbraw/zinc/15/25/70/807152570.db2.gz INJOACQAVGANSJ-UHFFFAOYSA-N 1 1 288.435 3.398 20 10 CGCDMO CC[C@@H](C)[N@H+]1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001257442149 807158308 /nfs/dbraw/zinc/15/83/08/807158308.db2.gz CYZQERBFARIGFA-GFCCVEGCSA-N 1 1 272.392 3.344 20 10 CGCDMO CCN1CCC([N@@H+](CC)Cc2ccc(N(C)C)cc2)CC1 ZINC001169262134 807617897 /nfs/dbraw/zinc/61/78/97/807617897.db2.gz SUDAOXXKBGSBJK-UHFFFAOYSA-N 1 1 289.467 3.059 20 10 CGCDMO C[C@H]1C[N@H+](Cc2ccc(N)cc2)[C@@H](c2ccccc2)CO1 ZINC001262488211 807867556 /nfs/dbraw/zinc/86/75/56/807867556.db2.gz UTDHFUBQQHAGQF-KBXCAEBGSA-N 1 1 282.387 3.231 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(N)cc2)[C@@H](c2ccccc2)CO1 ZINC001262488211 807867561 /nfs/dbraw/zinc/86/75/61/807867561.db2.gz UTDHFUBQQHAGQF-KBXCAEBGSA-N 1 1 282.387 3.231 20 10 CGCDMO COc1ccc(C[C@H](C)[N@@H+](C)Cc2ccc(N)cc2)cc1 ZINC001262487544 807867959 /nfs/dbraw/zinc/86/79/59/807867959.db2.gz WZYSHLILBAGAPM-AWEZNQCLSA-N 1 1 284.403 3.340 20 10 CGCDMO COc1ccc(N2CC3(CC[N@H+]3C3CCCC3)C2)cc1F ZINC001277009075 809052606 /nfs/dbraw/zinc/05/26/06/809052606.db2.gz FBFZCKGDJXSLTF-UHFFFAOYSA-N 1 1 290.382 3.041 20 10 CGCDMO COc1ccc(N2CCC3(CCC[N@@H+](C)C3)CC2)cc1F ZINC001277008850 809053121 /nfs/dbraw/zinc/05/31/21/809053121.db2.gz AZYMRCWHTJBEJW-UHFFFAOYSA-N 1 1 292.398 3.147 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@@]23CCOC3)cc1 ZINC001176978305 809772109 /nfs/dbraw/zinc/77/21/09/809772109.db2.gz QMZFUTLOBGGRKQ-SFHVURJKSA-N 1 1 288.435 3.288 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)[C@H](C)C2(C)CC2)c(O)c1 ZINC001179973530 809965153 /nfs/dbraw/zinc/96/51/53/809965153.db2.gz BXYHRXWNWBIXRU-GFCCVEGCSA-N 1 1 263.381 3.330 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CC[C@@H](O)C(C)(C)C2)c1 ZINC001180963001 810029538 /nfs/dbraw/zinc/02/95/38/810029538.db2.gz UDXCIMBSKSSDCW-MRXNPFEDSA-N 1 1 277.408 3.108 20 10 CGCDMO C=C/C=C\CC[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC001195791079 811291522 /nfs/dbraw/zinc/29/15/22/811291522.db2.gz XCFFZPMVYTXLIW-SREVYHEPSA-N 1 1 274.408 3.196 20 10 CGCDMO CCCOc1ccc(CNC[C@H](C)C[NH+](C)C)cc1C ZINC001202587863 812129003 /nfs/dbraw/zinc/12/90/03/812129003.db2.gz SXNAKOKLJYOWFX-AWEZNQCLSA-N 1 1 278.440 3.071 20 10 CGCDMO COc1cccc(C[N@H+]2CCC(F)(F)C(C)(C)C2)c1O ZINC001203590039 812402627 /nfs/dbraw/zinc/40/26/27/812402627.db2.gz RMWVHQLWSXMIKX-UHFFFAOYSA-N 1 1 285.334 3.268 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](F)CC2)c1O ZINC001203602402 812405116 /nfs/dbraw/zinc/40/51/16/812405116.db2.gz UZOLZYCRQZCYEI-CYBMUJFWSA-N 1 1 267.344 3.115 20 10 CGCDMO CCOc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1O ZINC001203603429 812405419 /nfs/dbraw/zinc/40/54/19/812405419.db2.gz PARIHZTXYMPAEA-BETUJISGSA-N 1 1 297.345 3.268 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@@H](C)[C@H](C)C2)c(O)c1 ZINC001203621311 812409451 /nfs/dbraw/zinc/40/94/51/812409451.db2.gz SOWSXKQCYRUNCH-CHWSQXEVSA-N 1 1 263.381 3.269 20 10 CGCDMO CO[C@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)C[C@@H]21 ZINC001203658416 812419056 /nfs/dbraw/zinc/41/90/56/812419056.db2.gz LMFRDRLAZBNDAW-WPGHFRTFSA-N 1 1 295.810 3.293 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c1 ZINC001203671148 812426264 /nfs/dbraw/zinc/42/62/64/812426264.db2.gz KTHNORJNZMUNGG-OLZOCXBDSA-N 1 1 261.365 3.023 20 10 CGCDMO COc1cccc(F)c1C[NH2+]Cc1c(O)cccc1Cl ZINC001203856472 812475101 /nfs/dbraw/zinc/47/51/01/812475101.db2.gz JXVAJYLRCKCVAA-UHFFFAOYSA-N 1 1 295.741 3.483 20 10 CGCDMO Oc1ccc(C[N@@H+]2CC=C(c3ccccc3)CC2)cc1O ZINC001203880397 812478206 /nfs/dbraw/zinc/47/82/06/812478206.db2.gz RHRVGXJETCGKNU-UHFFFAOYSA-N 1 1 281.355 3.387 20 10 CGCDMO Oc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)cc1O ZINC001203874728 812478936 /nfs/dbraw/zinc/47/89/36/812478936.db2.gz CDOYFAUEPHURKZ-OAHLLOKOSA-N 1 1 269.344 3.087 20 10 CGCDMO C[N@@H+](Cc1ccc(O)c(O)c1)[C@@H]1CCc2ccccc21 ZINC001203884572 812479734 /nfs/dbraw/zinc/47/97/34/812479734.db2.gz VCXRWVYLHUHKFO-OAHLLOKOSA-N 1 1 269.344 3.217 20 10 CGCDMO Oc1ccc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)cc1O ZINC001203882495 812479845 /nfs/dbraw/zinc/47/98/45/812479845.db2.gz JICZOEQJHYKKMD-INIZCTEOSA-N 1 1 283.371 3.162 20 10 CGCDMO Oc1ccc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)cc1O ZINC001203880863 812479902 /nfs/dbraw/zinc/47/99/02/812479902.db2.gz BRZVZPDLVPZXIO-KGLIPLIRSA-N 1 1 261.365 3.110 20 10 CGCDMO COCC[N@@H+](Cc1ccc(N(C)C)cc1C)C1CCCC1 ZINC001204170250 812563270 /nfs/dbraw/zinc/56/32/70/812563270.db2.gz GZLYLCNVUFGLQJ-UHFFFAOYSA-N 1 1 290.451 3.452 20 10 CGCDMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2O)C1(C)C ZINC001204235796 812581326 /nfs/dbraw/zinc/58/13/26/812581326.db2.gz DGMBNSFKFUXTCW-CABCVRRESA-N 1 1 299.361 3.306 20 10 CGCDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)c(F)cc2O)C1(C)C ZINC001204235796 812581332 /nfs/dbraw/zinc/58/13/32/812581332.db2.gz DGMBNSFKFUXTCW-CABCVRRESA-N 1 1 299.361 3.306 20 10 CGCDMO COc1ccccc1[C@H](C)[N@@H+](C)Cc1ccc(O)cc1O ZINC001204280692 812593764 /nfs/dbraw/zinc/59/37/64/812593764.db2.gz MRCLSWJCIFHRNV-LBPRGKRZSA-N 1 1 287.359 3.299 20 10 CGCDMO C[N@@H+](Cc1ccc(O)cc1O)C12CC3CC(CC(C3)C1)C2 ZINC001204275479 812594780 /nfs/dbraw/zinc/59/47/80/812594780.db2.gz SBJHJXYRIFFTNE-UHFFFAOYSA-N 1 1 287.403 3.498 20 10 CGCDMO Oc1ccc(C[N@H+]2CCc3c(Cl)cccc3C2)c(O)c1 ZINC001204278662 812595358 /nfs/dbraw/zinc/59/53/58/812595358.db2.gz HJNCBYGLBYAZFC-UHFFFAOYSA-N 1 1 289.762 3.310 20 10 CGCDMO CC1(C)[C@@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)C[C@@H]21 ZINC001204322351 812612310 /nfs/dbraw/zinc/61/23/10/812612310.db2.gz QSQVCPKKQRVDSP-CALCHBBNSA-N 1 1 270.420 3.375 20 10 CGCDMO CCC[C@@H]1CCCC[N@H+]1Cc1cc(O)c(O)c(OC)c1 ZINC001204344123 812615933 /nfs/dbraw/zinc/61/59/33/812615933.db2.gz DOVYGAVWFIKFPE-CYBMUJFWSA-N 1 1 279.380 3.261 20 10 CGCDMO C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc2ccccc2cc1[O-] ZINC001205915844 813131620 /nfs/dbraw/zinc/13/16/20/813131620.db2.gz QVWXYCBBTKRDDQ-CJNGLKHVSA-N 1 1 284.403 3.105 20 10 CGCDMO C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc2ccccc2cc1[O-] ZINC001205915844 813131626 /nfs/dbraw/zinc/13/16/26/813131626.db2.gz QVWXYCBBTKRDDQ-CJNGLKHVSA-N 1 1 284.403 3.105 20 10 CGCDMO C[C@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CCC[C@@H]1C[NH3+] ZINC001206014526 813166599 /nfs/dbraw/zinc/16/65/99/813166599.db2.gz XFAWWRQGKYMUJB-GOEBONIOSA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CCC[C@@H]1C[NH3+] ZINC001206014526 813166602 /nfs/dbraw/zinc/16/66/02/813166602.db2.gz XFAWWRQGKYMUJB-GOEBONIOSA-N 1 1 298.430 3.352 20 10 CGCDMO CC(C)c1ccc(CN2CCCC[C@](F)(C[NH3+])C2)c(O)c1 ZINC001206370017 813305830 /nfs/dbraw/zinc/30/58/30/813305830.db2.gz KINOFKHEIZUGEJ-KRWDZBQOSA-N 1 1 294.414 3.169 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+](C)[C@H]2CCOC2)cc1 ZINC001209517393 814070619 /nfs/dbraw/zinc/07/06/19/814070619.db2.gz GEFBUJVISQCNOC-SFHVURJKSA-N 1 1 284.403 3.315 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@H](O)C[C@H]2C)cc1 ZINC001209520117 814073335 /nfs/dbraw/zinc/07/33/35/814073335.db2.gz NJTYDLNYTVCBTQ-VQIMIIECSA-N 1 1 298.430 3.439 20 10 CGCDMO Cc1[nH]c2ncccc2c1C[N@H+]1CCc2cccc(O)c2C1 ZINC001209592189 814095093 /nfs/dbraw/zinc/09/50/93/814095093.db2.gz CFAOWKOPRJPLFP-UHFFFAOYSA-N 1 1 293.370 3.135 20 10 CGCDMO CN(C)c1ccccc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001209779466 814138469 /nfs/dbraw/zinc/13/84/69/814138469.db2.gz GYJXGBWVWWTIGZ-UHFFFAOYSA-N 1 1 282.387 3.017 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001231586829 818128787 /nfs/dbraw/zinc/12/87/87/818128787.db2.gz MLUKEBYSHWMAJK-SFHVURJKSA-N 1 1 283.371 3.300 20 10 CGCDMO COC(=O)CC[N@@H+](Cc1cccc(C)c1O)C1CCCC1 ZINC001231592328 818131526 /nfs/dbraw/zinc/13/15/26/818131526.db2.gz JWLWOMRNVDISFK-UHFFFAOYSA-N 1 1 291.391 3.008 20 10 CGCDMO COc1cc(C[N@@H+]2Cc3ccccc3[C@H](C)C2)c(O)cc1O ZINC001231634181 818144069 /nfs/dbraw/zinc/14/40/69/818144069.db2.gz INTQYOODOTYKCF-GFCCVEGCSA-N 1 1 299.370 3.226 20 10 CGCDMO Cc1cc(C)c(C[N@@H+](CCO)Cc2cccs2)c(O)c1 ZINC001231843788 818185631 /nfs/dbraw/zinc/18/56/31/818185631.db2.gz AMFUDRJNVLKJAB-UHFFFAOYSA-N 1 1 291.416 3.065 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@]3(C2)CCCCO3)c(O)c1 ZINC001231841895 818185700 /nfs/dbraw/zinc/18/57/00/818185700.db2.gz FYVRUQUSJFVVPA-KRWDZBQOSA-N 1 1 275.392 3.154 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCc3cc(O)ccc3C2)c(O)c1 ZINC001231844737 818187824 /nfs/dbraw/zinc/18/78/24/818187824.db2.gz OQLNFPBKKZJNMF-UHFFFAOYSA-N 1 1 283.371 3.273 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001231851369 818189247 /nfs/dbraw/zinc/18/92/47/818189247.db2.gz GJGXRMSQCKIZQI-CABCVRRESA-N 1 1 288.435 3.383 20 10 CGCDMO CC[N@H+](CCN1CCCC1)Cc1cc(Cl)c(C)cc1O ZINC001231870542 818193509 /nfs/dbraw/zinc/19/35/09/818193509.db2.gz HZYOHYYBSYJZAO-UHFFFAOYSA-N 1 1 296.842 3.272 20 10 CGCDMO CC[N@@H+](CCN1CCCC1)Cc1cc(Cl)c(C)cc1O ZINC001231870542 818193513 /nfs/dbraw/zinc/19/35/13/818193513.db2.gz HZYOHYYBSYJZAO-UHFFFAOYSA-N 1 1 296.842 3.272 20 10 CGCDMO CCCO[C@@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001231870725 818194328 /nfs/dbraw/zinc/19/43/28/818194328.db2.gz QLRDIBKDVIAOHB-CYBMUJFWSA-N 1 1 283.799 3.355 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CCC[C@@H]1O ZINC001231879467 818198716 /nfs/dbraw/zinc/19/87/16/818198716.db2.gz DFOBDEGHGVBPCJ-DYVFJYSZSA-N 1 1 285.387 3.138 20 10 CGCDMO Oc1c(C[N@H+]2CCOC[C@H]2C2CC2)ccc2ccccc21 ZINC001231882016 818198809 /nfs/dbraw/zinc/19/88/09/818198809.db2.gz DDLNEBOXQZTGJW-KRWDZBQOSA-N 1 1 283.371 3.156 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H](F)CC1 ZINC001231909927 818209058 /nfs/dbraw/zinc/20/90/58/818209058.db2.gz TXAOBJSWGYRPKR-LLVKDONJSA-N 1 1 257.736 3.370 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)Cc2ccccc2O)c(C)n1 ZINC001232309706 818311253 /nfs/dbraw/zinc/31/12/53/818311253.db2.gz DSEAODRIZODPIX-UHFFFAOYSA-N 1 1 286.375 3.126 20 10 CGCDMO Cc1ncccc1C[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001233078973 818519405 /nfs/dbraw/zinc/51/94/05/818519405.db2.gz QJADAPGHZUUOHS-UHFFFAOYSA-N 1 1 278.302 3.006 20 10 CGCDMO CN1CC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)CC1(C)C ZINC001233286606 818567734 /nfs/dbraw/zinc/56/77/34/818567734.db2.gz APISHJSJVYOZNQ-UHFFFAOYSA-N 1 1 290.451 3.216 20 10 CGCDMO C[N@@H+]1CCN(Cc2cc(C(C)(C)C)ccc2O)CC1(C)C ZINC001233286606 818567738 /nfs/dbraw/zinc/56/77/38/818567738.db2.gz APISHJSJVYOZNQ-UHFFFAOYSA-N 1 1 290.451 3.216 20 10 CGCDMO C[N@H+]1CCN(Cc2cc(C(C)(C)C)ccc2O)CC1(C)C ZINC001233286606 818567743 /nfs/dbraw/zinc/56/77/43/818567743.db2.gz APISHJSJVYOZNQ-UHFFFAOYSA-N 1 1 290.451 3.216 20 10 CGCDMO Oc1cccc2c1C[N@H+](Cc1ccc(Cl)o1)CC2 ZINC001233316977 818575772 /nfs/dbraw/zinc/57/57/72/818575772.db2.gz OFFMHPROQHQNOR-UHFFFAOYSA-N 1 1 263.724 3.197 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1ccc(Cl)o1)CC2 ZINC001233316977 818575774 /nfs/dbraw/zinc/57/57/74/818575774.db2.gz OFFMHPROQHQNOR-UHFFFAOYSA-N 1 1 263.724 3.197 20 10 CGCDMO C[C@@H]1CCC[N@H+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233332637 818585787 /nfs/dbraw/zinc/58/57/87/818585787.db2.gz RYMFHXAMPRXYBC-SNVBAGLBSA-N 1 1 255.308 3.292 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233332637 818585794 /nfs/dbraw/zinc/58/57/94/818585794.db2.gz RYMFHXAMPRXYBC-SNVBAGLBSA-N 1 1 255.308 3.292 20 10 CGCDMO CC(C)[N@@H+](Cc1c([O-])ccc(F)c1F)C1CCOCC1 ZINC001233336338 818588525 /nfs/dbraw/zinc/58/85/25/818588525.db2.gz INKFJJDQLITDGM-UHFFFAOYSA-N 1 1 285.334 3.060 20 10 CGCDMO CC(C)[N@H+](Cc1c(O)ccc(F)c1F)C1CCOCC1 ZINC001233336338 818588533 /nfs/dbraw/zinc/58/85/33/818588533.db2.gz INKFJJDQLITDGM-UHFFFAOYSA-N 1 1 285.334 3.060 20 10 CGCDMO CC(C)[N@@H+](Cc1c(O)ccc(F)c1F)C1CCOCC1 ZINC001233336338 818588534 /nfs/dbraw/zinc/58/85/34/818588534.db2.gz INKFJJDQLITDGM-UHFFFAOYSA-N 1 1 285.334 3.060 20 10 CGCDMO C[N@H+](Cc1cccc(C(F)(F)F)c1O)[C@@H]1CCCOC1 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937653093 /nfs/dbraw/zinc/65/30/93/937653093.db2.gz ZUZOUHUGNWOPTJ-UHFFFAOYSA-N 1 1 282.318 3.369 20 10 CGCDMO CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2[O-])[C@@H](C)C1 ZINC001308569551 933134088 /nfs/dbraw/zinc/13/40/88/933134088.db2.gz YHRVJXGRIKOGHA-SWLSCSKDSA-N 1 1 296.842 3.208 20 10 CGCDMO CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2[O-])[C@@H](C)C1 ZINC001308569551 933134092 /nfs/dbraw/zinc/13/40/92/933134092.db2.gz YHRVJXGRIKOGHA-SWLSCSKDSA-N 1 1 296.842 3.208 20 10 CGCDMO CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2[O-])[C@@H](C)C1 ZINC001308569551 933134096 /nfs/dbraw/zinc/13/40/96/933134096.db2.gz YHRVJXGRIKOGHA-SWLSCSKDSA-N 1 1 296.842 3.208 20 10 CGCDMO CC[C@H]1CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC001308585498 933138900 /nfs/dbraw/zinc/13/89/00/933138900.db2.gz ZXYKLFVLCWPLEY-YVACAVLKSA-N 1 1 258.409 3.498 20 10 CGCDMO C[C@H]1C[C@H](CC[NH2+]Cc2ccc(Cl)cc2O)CCO1 ZINC001308685632 933158438 /nfs/dbraw/zinc/15/84/38/933158438.db2.gz XMVWCAQSUGVKON-NWDGAFQWSA-N 1 1 283.799 3.340 20 10 CGCDMO CCC(C)(C)OC1C[NH+](Cc2c(C)cc(OC)cc2O)C1 ZINC001308867410 933193756 /nfs/dbraw/zinc/19/37/56/933193756.db2.gz PNHBRFHSIVPYIW-UHFFFAOYSA-N 1 1 293.407 3.099 20 10 CGCDMO CC1(C)CCC[C@H](C[NH2+]Cc2cc(F)c(F)cc2O)O1 ZINC001308969665 933216106 /nfs/dbraw/zinc/21/61/06/933216106.db2.gz VXZOOQRLWCJHGD-LLVKDONJSA-N 1 1 285.334 3.108 20 10 CGCDMO COc1cc(C)cc(CNc2[nH+]c3ccccc3n2C)c1O ZINC001474763450 934222045 /nfs/dbraw/zinc/22/20/45/934222045.db2.gz XYCFLPZFWKNQSH-UHFFFAOYSA-N 1 1 297.358 3.208 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H](C)O1 ZINC001323302694 934381963 /nfs/dbraw/zinc/38/19/63/934381963.db2.gz GJVNDQJDARVIAA-QAPCUYQASA-N 1 1 288.435 3.286 20 10 CGCDMO CC(C)[C@H](O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC001327499610 935065033 /nfs/dbraw/zinc/06/50/33/935065033.db2.gz QLHPLZCZZDPLCI-GOSISDBHSA-N 1 1 290.451 3.126 20 10 CGCDMO Nc1ccc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)cc1 ZINC001335284629 936137371 /nfs/dbraw/zinc/13/73/71/936137371.db2.gz FVRKWEWGLFNZDG-CABCVRRESA-N 1 1 262.422 3.129 20 10 CGCDMO CC(C)c1ccc([C@H]([NH3+])CNCc2ccc(N)cc2)cc1 ZINC001336286548 936186139 /nfs/dbraw/zinc/18/61/39/936186139.db2.gz RYMUVNQARXAGJU-GOSISDBHSA-N 1 1 283.419 3.182 20 10 CGCDMO CC[N@H+](Cc1ccoc1)Cc1cc(F)c(F)cc1O ZINC001474311007 937850400 /nfs/dbraw/zinc/85/04/00/937850400.db2.gz CDOXEDFEYKBGPM-UHFFFAOYSA-N 1 1 267.275 3.286 20 10 CGCDMO CC[N@@H+](Cc1ccoc1)Cc1cc(F)c(F)cc1O ZINC001474311007 937850402 /nfs/dbraw/zinc/85/04/02/937850402.db2.gz CDOXEDFEYKBGPM-UHFFFAOYSA-N 1 1 267.275 3.286 20 10 CGCDMO CC([NH2+]Cc1cc(F)c(F)cc1O)(C1CC1)C1CC1 ZINC001474637160 937871832 /nfs/dbraw/zinc/87/18/32/937871832.db2.gz UZKBMMNLAJOEAF-UHFFFAOYSA-N 1 1 267.319 3.339 20 10 CGCDMO CCOc1cc(F)cc(C[N@@H+]2Cc3cccc(O)c3C2)c1 ZINC001474677809 937874539 /nfs/dbraw/zinc/87/45/39/937874539.db2.gz WWRLKBPSCNAVEV-UHFFFAOYSA-N 1 1 287.334 3.446 20 10 CGCDMO CCOc1cc(F)cc(C[N@H+]2Cc3cccc(O)c3C2)c1 ZINC001474677809 937874540 /nfs/dbraw/zinc/87/45/40/937874540.db2.gz WWRLKBPSCNAVEV-UHFFFAOYSA-N 1 1 287.334 3.446 20 10 CGCDMO CC(C)OC1(C[NH2+]Cc2cc(F)c(F)cc2O)CCC1 ZINC001560996747 938288573 /nfs/dbraw/zinc/28/85/73/938288573.db2.gz BEGQQMBODQAJRO-UHFFFAOYSA-N 1 1 285.334 3.108 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2ccc(C)nc2)c1 ZINC001203680107 957891681 /nfs/dbraw/zinc/89/16/81/957891681.db2.gz DWLZIRCSSCKHFN-QGZVFWFLSA-N 1 1 298.386 3.441 20 10 CGCDMO [NH3+]Cc1cccnc1NCc1cc(Cl)cc(Cl)c1O ZINC001580349442 962716682 /nfs/dbraw/zinc/71/66/82/962716682.db2.gz YVEXMVBSFSWKPM-UHFFFAOYSA-N 1 1 298.173 3.165 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1C ZINC000059579163 345208274 /nfs/dbraw/zinc/20/82/74/345208274.db2.gz LPVZXVJRNBNQJH-AWEZNQCLSA-N 1 1 275.392 3.010 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C[C@H]2CCOC2)C2CC2)cc1C ZINC000059579164 345208420 /nfs/dbraw/zinc/20/84/20/345208420.db2.gz LPVZXVJRNBNQJH-CQSZACIVSA-N 1 1 275.392 3.010 20 10 CGCDMO C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc(Cl)ccc1[O-] ZINC000185356336 346258703 /nfs/dbraw/zinc/25/87/03/346258703.db2.gz JXZODEIXLTTZAU-LBPRGKRZSA-N 1 1 296.842 3.428 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCc3ccsc3C2)c1 ZINC000127079322 370948308 /nfs/dbraw/zinc/94/83/08/370948308.db2.gz DDPDEZZCLVJUFJ-UHFFFAOYSA-N 1 1 259.374 3.320 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H](N2CCCC2)C1 ZINC000066081029 369687882 /nfs/dbraw/zinc/68/78/82/369687882.db2.gz QEHSPMDLXPEJNM-MRXNPFEDSA-N 1 1 296.414 3.216 20 10 CGCDMO Oc1ccc2ccccc2c1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066081029 369687887 /nfs/dbraw/zinc/68/78/87/369687887.db2.gz QEHSPMDLXPEJNM-MRXNPFEDSA-N 1 1 296.414 3.216 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1OC ZINC000091974492 370083343 /nfs/dbraw/zinc/08/33/43/370083343.db2.gz CLYGLIPOQSPXJE-UHFFFAOYSA-N 1 1 287.359 3.041 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)c1O ZINC000093453488 370134126 /nfs/dbraw/zinc/13/41/26/370134126.db2.gz GXOTZTHTCDPVEW-MRXNPFEDSA-N 1 1 298.386 3.441 20 10 CGCDMO Oc1ccccc1C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000111245081 370395247 /nfs/dbraw/zinc/39/52/47/370395247.db2.gz FFVGWWQVYQCNML-MRXNPFEDSA-N 1 1 275.392 3.316 20 10 CGCDMO CCCc1nc(C[N@H+](C)Cc2ccccc2O)cs1 ZINC000114721362 370508145 /nfs/dbraw/zinc/50/81/45/370508145.db2.gz YXPLULTUVWHOGL-UHFFFAOYSA-N 1 1 276.405 3.433 20 10 CGCDMO CCCc1nc(C[N@@H+](C)Cc2ccccc2O)cs1 ZINC000114721362 370508151 /nfs/dbraw/zinc/50/81/51/370508151.db2.gz YXPLULTUVWHOGL-UHFFFAOYSA-N 1 1 276.405 3.433 20 10 CGCDMO CCC[N@@H+](CCCCCOC)Cc1ccccc1O ZINC000116878309 370572503 /nfs/dbraw/zinc/57/25/03/370572503.db2.gz HETUINZMWPQXDG-UHFFFAOYSA-N 1 1 265.397 3.421 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cccc(Cl)c1[O-] ZINC000287573841 371675418 /nfs/dbraw/zinc/67/54/18/371675418.db2.gz GZJHLCPCULHVAZ-IUODEOHRSA-N 1 1 296.842 3.428 20 10 CGCDMO Cc1cccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)c1O ZINC000289233013 371753189 /nfs/dbraw/zinc/75/31/89/371753189.db2.gz DDMDOROSNMHABD-ZBFHGGJFSA-N 1 1 277.408 3.216 20 10 CGCDMO CCc1nc(C)c(C[NH2+][C@H](C)c2ccc(F)cc2O)o1 ZINC000291974953 372178897 /nfs/dbraw/zinc/17/88/97/372178897.db2.gz UOCXTPZTHHOVIH-SECBINFHSA-N 1 1 278.327 3.241 20 10 CGCDMO CCC[N@@H+](CCCC(=O)CC)Cc1ccccc1O ZINC000295082189 372689879 /nfs/dbraw/zinc/68/98/79/372689879.db2.gz RIVDADIEVARACB-UHFFFAOYSA-N 1 1 263.381 3.364 20 10 CGCDMO Cc1ncsc1CC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000296373624 373109612 /nfs/dbraw/zinc/10/96/12/373109612.db2.gz JHSJPRYXHUQILS-VIFPVBQESA-N 1 1 280.368 3.190 20 10 CGCDMO CC[N@@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C1CC1 ZINC000296669344 373215629 /nfs/dbraw/zinc/21/56/29/373215629.db2.gz ZFUSUJYOQCBWKQ-UHFFFAOYSA-N 1 1 288.435 3.286 20 10 CGCDMO CCCCN1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000297951136 373285758 /nfs/dbraw/zinc/28/57/58/373285758.db2.gz YRRIYFVEGQUPOZ-INIZCTEOSA-N 1 1 288.435 3.234 20 10 CGCDMO Cc1nc(NCCCSc2nccs2)c(C)c(C)[nH+]1 ZINC000301675229 373797590 /nfs/dbraw/zinc/79/75/90/373797590.db2.gz HGQFTQONXRAGME-UHFFFAOYSA-N 1 1 294.449 3.453 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2ccc(C)cc2)c1O ZINC000179602287 373893613 /nfs/dbraw/zinc/89/36/13/373893613.db2.gz NWUBCJALCYFXOJ-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO CCCO[C@H]1CCC[N@@H+](Cc2cccc(C)c2O)CC1 ZINC000180180089 373974263 /nfs/dbraw/zinc/97/42/63/373974263.db2.gz YICSNOSZXVGMBS-INIZCTEOSA-N 1 1 277.408 3.482 20 10 CGCDMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cc(F)ccc1O ZINC000183676324 374440025 /nfs/dbraw/zinc/44/00/25/374440025.db2.gz WHWWZFJMDPYVIT-NSHDSACASA-N 1 1 260.312 3.119 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)[C@@H](C)c2cccnc2)c1O ZINC000183724742 374446977 /nfs/dbraw/zinc/44/69/77/374446977.db2.gz WEGLDAHCKRTIMW-ZDUSSCGKSA-N 1 1 286.375 3.379 20 10 CGCDMO C[N@@H+](CCC(C)(C)O)Cc1ccc(N2CCCCC2)cc1 ZINC000267355348 378036733 /nfs/dbraw/zinc/03/67/33/378036733.db2.gz BNMYOQKVNJSWNT-UHFFFAOYSA-N 1 1 290.451 3.270 20 10 CGCDMO C[C@@H](c1ccccc1)[N@@H+](CCCO)Cc1ccccc1O ZINC000268320316 378053222 /nfs/dbraw/zinc/05/32/22/378053222.db2.gz RQLLHWHZCALTMP-HNNXBMFYSA-N 1 1 285.387 3.338 20 10 CGCDMO CCc1nnc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000274818373 378901763 /nfs/dbraw/zinc/90/17/63/378901763.db2.gz AVCIULCCEYKGNZ-NSHDSACASA-N 1 1 290.436 3.017 20 10 CGCDMO Oc1c(Cl)cccc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000378435706 379824661 /nfs/dbraw/zinc/82/46/61/379824661.db2.gz AHXLTPNODWLYLY-AWEZNQCLSA-N 1 1 294.826 3.106 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)cc1C ZINC000285242762 380146037 /nfs/dbraw/zinc/14/60/37/380146037.db2.gz ZQIMVSWPUFZOPM-INIZCTEOSA-N 1 1 285.391 3.459 20 10 CGCDMO COCCc1cc[nH+]c(NCc2cc(C)c(C)cc2O)c1 ZINC000285310040 380148376 /nfs/dbraw/zinc/14/83/76/380148376.db2.gz VNISCVSDSYWKHN-UHFFFAOYSA-N 1 1 286.375 3.205 20 10 CGCDMO CC[C@H]([NH2+]CC(C)(C)C[C@H](C)O)c1ccc(F)cc1O ZINC000286232907 380179194 /nfs/dbraw/zinc/17/91/94/380179194.db2.gz SYCWDXIQZXKLJY-FZMZJTMJSA-N 1 1 283.387 3.369 20 10 CGCDMO C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Cl)ccc1[O-] ZINC000363858962 382259463 /nfs/dbraw/zinc/25/94/63/382259463.db2.gz RWLRCNPBKKELEX-UBHSHLNASA-N 1 1 294.826 3.323 20 10 CGCDMO C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Cl)ccc1[O-] ZINC000363858962 382259471 /nfs/dbraw/zinc/25/94/71/382259471.db2.gz RWLRCNPBKKELEX-UBHSHLNASA-N 1 1 294.826 3.323 20 10 CGCDMO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)c2nccn21 ZINC000295346078 542406295 /nfs/dbraw/zinc/40/62/95/542406295.db2.gz YOHPSTHMGGHNIY-WMLDXEAASA-N 1 1 296.418 3.279 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H]2CCOC2)cc1F ZINC000093839894 392241540 /nfs/dbraw/zinc/24/15/40/392241540.db2.gz PMAMKWDQFYHQCY-OAHLLOKOSA-N 1 1 294.414 3.140 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c1O ZINC000374258027 392673183 /nfs/dbraw/zinc/67/31/83/392673183.db2.gz HUNHPRSHMDFXCH-INIZCTEOSA-N 1 1 299.370 3.054 20 10 CGCDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccccc1O ZINC000179573252 392704262 /nfs/dbraw/zinc/70/42/62/392704262.db2.gz GGBNRSVCGUCKNX-LBPRGKRZSA-N 1 1 257.333 3.291 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000271360995 393248591 /nfs/dbraw/zinc/24/85/91/393248591.db2.gz NFYXPLLMCGDSOJ-DJIMGWMZSA-N 1 1 289.419 3.418 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCCC(C)(C)C2)cc1OC ZINC000160191249 261207756 /nfs/dbraw/zinc/20/77/56/261207756.db2.gz NYZTYJQGEOXLKJ-UHFFFAOYSA-N 1 1 279.380 3.031 20 10 CGCDMO C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc(F)cc1O ZINC000185454079 262055505 /nfs/dbraw/zinc/05/55/05/262055505.db2.gz ZIDMHZPBRRSCTG-SJKOYZFVSA-N 1 1 289.350 3.090 20 10 CGCDMO Cc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc(F)cc2O)c1 ZINC000186124509 262080802 /nfs/dbraw/zinc/08/08/02/262080802.db2.gz RYZIBIODJNVHAE-SJKOYZFVSA-N 1 1 289.350 3.224 20 10 CGCDMO Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(F)cc2O)c1 ZINC000186124493 262081090 /nfs/dbraw/zinc/08/10/90/262081090.db2.gz RYZIBIODJNVHAE-SJCJKPOMSA-N 1 1 289.350 3.224 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1O ZINC000367740019 267114476 /nfs/dbraw/zinc/11/44/76/267114476.db2.gz IXSLTCAQVZOLRK-QWHCGFSZSA-N 1 1 295.810 3.212 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC23CCCCC3)c1 ZINC000368468992 267175265 /nfs/dbraw/zinc/17/52/65/267175265.db2.gz GXRMRVCULUIALG-UHFFFAOYSA-N 1 1 261.365 3.309 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)[C@@H](C)C1 ZINC000282441354 274064503 /nfs/dbraw/zinc/06/45/03/274064503.db2.gz UMAVDZZJHBWIAP-SMDDNHRTSA-N 1 1 283.799 3.353 20 10 CGCDMO CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000287788927 288035295 /nfs/dbraw/zinc/03/52/95/288035295.db2.gz SQKJQTQXPJUZGT-AWEZNQCLSA-N 1 1 282.815 3.181 20 10 CGCDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cccc(C)c1O ZINC000290303155 279057486 /nfs/dbraw/zinc/05/74/86/279057486.db2.gz BMFBTNLDRFLFDH-OAHLLOKOSA-N 1 1 285.391 3.378 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000378492142 329052500 /nfs/dbraw/zinc/05/25/00/329052500.db2.gz GHUSVVPWZYDVNF-NSHDSACASA-N 1 1 261.296 3.114 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186452216 329342760 /nfs/dbraw/zinc/34/27/60/329342760.db2.gz UEUJDPPXHJYEMF-GOSISDBHSA-N 1 1 299.345 3.163 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1O ZINC000186454314 329342809 /nfs/dbraw/zinc/34/28/09/329342809.db2.gz PWZRIDOEMUGFLE-LJQANCHMSA-N 1 1 295.382 3.332 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1ccc(F)cc1O ZINC000528004385 330300370 /nfs/dbraw/zinc/30/03/70/330300370.db2.gz FXXCSRZPUNJRHF-NJFNOFPYSA-N 1 1 281.371 3.384 20 10 CGCDMO CC[N@@H+](Cc1cc(F)ccc1O)[C@H]1CCOC(C)(C)C1 ZINC000291441151 521293092 /nfs/dbraw/zinc/29/30/92/521293092.db2.gz BWCYRUVHIQDYDV-AWEZNQCLSA-N 1 1 281.371 3.311 20 10 CGCDMO CCC[N@@H+](CCCCC(=O)OCC)Cc1ccccc1O ZINC000265845505 521652236 /nfs/dbraw/zinc/65/22/36/521652236.db2.gz XNZGCNMVQHDKNY-UHFFFAOYSA-N 1 1 293.407 3.338 20 10 CGCDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(N(C)C)cc2)CC1 ZINC000280189143 521751104 /nfs/dbraw/zinc/75/11/04/521751104.db2.gz HHTSUGHVLSRUQV-QGZVFWFLSA-N 1 1 276.424 3.144 20 10 CGCDMO CCc1nnc(C[NH2+]Cc2cc(Cl)cc(C)c2O)s1 ZINC000290986760 522740948 /nfs/dbraw/zinc/74/09/48/522740948.db2.gz UPKRBGHPCXHCAD-UHFFFAOYSA-N 1 1 297.811 3.058 20 10 CGCDMO CCc1nnc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)s1 ZINC000290076133 522745244 /nfs/dbraw/zinc/74/52/44/522745244.db2.gz GMHRWHPZXGDWSV-MRVPVSSYSA-N 1 1 297.811 3.310 20 10 CGCDMO CC[C@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(F)cc1O ZINC000290029029 522748548 /nfs/dbraw/zinc/74/85/48/522748548.db2.gz CTFGCLAKVYNPIW-LSDHHAIUSA-N 1 1 281.371 3.123 20 10 CGCDMO COCCCCc1ccc[nH+]c1NCc1ccccc1O ZINC000291062844 523191453 /nfs/dbraw/zinc/19/14/53/523191453.db2.gz KEJSOVOTICOZDV-UHFFFAOYSA-N 1 1 286.375 3.368 20 10 CGCDMO CN1CC[C@@]2(CC[N@H+](Cc3c(O)ccc4ccccc43)C2)C1 ZINC000291856122 523977011 /nfs/dbraw/zinc/97/70/11/523977011.db2.gz IGKAFAAROGUVGI-LJQANCHMSA-N 1 1 296.414 3.073 20 10 CGCDMO CN1CC[C@@]2(CC[N@@H+](Cc3c(O)ccc4ccccc43)C2)C1 ZINC000291856122 523977013 /nfs/dbraw/zinc/97/70/13/523977013.db2.gz IGKAFAAROGUVGI-LJQANCHMSA-N 1 1 296.414 3.073 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1nccs1 ZINC000070942537 525525699 /nfs/dbraw/zinc/52/56/99/525525699.db2.gz QQKFCGCYBLIEEN-LLVKDONJSA-N 1 1 261.394 3.060 20 10 CGCDMO CSC[C@@H]1CCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000292679923 525651195 /nfs/dbraw/zinc/65/11/95/525651195.db2.gz AOOBSEOJBSHXLU-CYBMUJFWSA-N 1 1 265.422 3.276 20 10 CGCDMO C[C@@H](O)CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000192866893 525770882 /nfs/dbraw/zinc/77/08/82/525770882.db2.gz SDIXGEGARDYZAY-SFYZADRCSA-N 1 1 278.179 3.121 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CC1CCSCC1 ZINC000293516709 526332417 /nfs/dbraw/zinc/33/24/17/526332417.db2.gz CQYOFBMDORHYOC-UHFFFAOYSA-N 1 1 289.803 3.418 20 10 CGCDMO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2cc(C)ccc2O)n1 ZINC000289649783 526650770 /nfs/dbraw/zinc/65/07/70/526650770.db2.gz CBSABNYZFBACSL-AWEZNQCLSA-N 1 1 287.363 3.119 20 10 CGCDMO Cc1noc([C@@H]2CCCC[N@H+]2Cc2cc(C)ccc2O)n1 ZINC000289649783 526650776 /nfs/dbraw/zinc/65/07/76/526650776.db2.gz CBSABNYZFBACSL-AWEZNQCLSA-N 1 1 287.363 3.119 20 10 CGCDMO CCc1cc(C[N@@H+](C)[C@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000730260317 572333858 /nfs/dbraw/zinc/33/38/58/572333858.db2.gz OSKRMJFNMAJBMV-HNNXBMFYSA-N 1 1 291.435 3.473 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)C[C@H]2CCCCO2)cc1 ZINC000741754612 572523164 /nfs/dbraw/zinc/52/31/64/572523164.db2.gz SUHFEFHHBQLCRT-QGZVFWFLSA-N 1 1 276.424 3.144 20 10 CGCDMO CC[C@H]1CCCC[N@@H+]1CCNCc1c(O)cccc1Cl ZINC000733330300 572557389 /nfs/dbraw/zinc/55/73/89/572557389.db2.gz SBUDQOWXXJMBDH-ZDUSSCGKSA-N 1 1 296.842 3.400 20 10 CGCDMO CC[C@H]1CCCC[N@H+]1CCNCc1c(O)cccc1Cl ZINC000733330300 572557391 /nfs/dbraw/zinc/55/73/91/572557391.db2.gz SBUDQOWXXJMBDH-ZDUSSCGKSA-N 1 1 296.842 3.400 20 10 CGCDMO CN(C)CCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000734843509 572687084 /nfs/dbraw/zinc/68/70/84/572687084.db2.gz MHPNCOCUSCQJDM-UHFFFAOYSA-N 1 1 289.467 3.060 20 10 CGCDMO CN(C)CCC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000734843509 572687087 /nfs/dbraw/zinc/68/70/87/572687087.db2.gz MHPNCOCUSCQJDM-UHFFFAOYSA-N 1 1 289.467 3.060 20 10 CGCDMO CCCCC[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000735492394 572726052 /nfs/dbraw/zinc/72/60/52/572726052.db2.gz XHXCDVZHLFYECY-UHFFFAOYSA-N 1 1 276.424 3.398 20 10 CGCDMO Cc1cc(C[N@@H+](C)C[C@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000176088419 618329772 /nfs/dbraw/zinc/32/97/72/618329772.db2.gz MTALIVNQPFGAFV-CQSZACIVSA-N 1 1 291.435 3.466 20 10 CGCDMO C[N@@H+](Cc1ccco1)Cc1cc(Br)ccc1O ZINC000162131972 618740017 /nfs/dbraw/zinc/74/00/17/618740017.db2.gz ICFGTVSPDCAZFO-UHFFFAOYSA-N 1 1 296.164 3.380 20 10 CGCDMO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ncc[nH]2)cc1F ZINC000286190603 618762136 /nfs/dbraw/zinc/76/21/36/618762136.db2.gz RGILQMYOBKSAFM-GFCCVEGCSA-N 1 1 290.386 3.246 20 10 CGCDMO C[N@H+](CCCCC1CCOCC1)c1ccc(N)cc1 ZINC000311356624 618904890 /nfs/dbraw/zinc/90/48/90/618904890.db2.gz YONLQBXZRWFRQD-UHFFFAOYSA-N 1 1 262.397 3.302 20 10 CGCDMO C[N@@H+](CCCCC1CCOCC1)c1ccc(N)cc1 ZINC000311356624 618904895 /nfs/dbraw/zinc/90/48/95/618904895.db2.gz YONLQBXZRWFRQD-UHFFFAOYSA-N 1 1 262.397 3.302 20 10 CGCDMO CO[C@H](C)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000182333820 619035479 /nfs/dbraw/zinc/03/54/79/619035479.db2.gz PWVVEHZSUAQLJW-CYBMUJFWSA-N 1 1 275.348 3.022 20 10 CGCDMO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000228566252 619235084 /nfs/dbraw/zinc/23/50/84/619235084.db2.gz SVTUIZLGUQYUCZ-GXFFZTMASA-N 1 1 299.798 3.054 20 10 CGCDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000228566252 619235088 /nfs/dbraw/zinc/23/50/88/619235088.db2.gz SVTUIZLGUQYUCZ-GXFFZTMASA-N 1 1 299.798 3.054 20 10 CGCDMO Oc1cccc(Cl)c1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000840954850 619260458 /nfs/dbraw/zinc/26/04/58/619260458.db2.gz MJOWWOQXWXRIKX-OAHLLOKOSA-N 1 1 281.783 3.047 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000840954850 619260460 /nfs/dbraw/zinc/26/04/60/619260460.db2.gz MJOWWOQXWXRIKX-OAHLLOKOSA-N 1 1 281.783 3.047 20 10 CGCDMO C[C@@H]1C[C@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)[C@H](C)O1 ZINC000840964939 619284976 /nfs/dbraw/zinc/28/49/76/619284976.db2.gz YRRPDONLFIWESK-KXUCPTDWSA-N 1 1 287.762 3.088 20 10 CGCDMO CC[N@@H+](Cc1occc1C)Cc1cc2c(cc1O)OCO2 ZINC000840969675 619294309 /nfs/dbraw/zinc/29/43/09/619294309.db2.gz IIEYEZMABCAFJF-UHFFFAOYSA-N 1 1 289.331 3.044 20 10 CGCDMO C[N@H+](Cc1cc(Br)cc(F)c1[O-])CC1CC1 ZINC000893966371 619341071 /nfs/dbraw/zinc/34/10/71/619341071.db2.gz PQPCYOVNWONQLH-UHFFFAOYSA-N 1 1 288.160 3.136 20 10 CGCDMO COc1ccc(C)[nH+]c1NCc1cc(C)cc(OC)c1O ZINC000894342627 619498022 /nfs/dbraw/zinc/49/80/22/619498022.db2.gz OXFFQWVKWOGKIZ-UHFFFAOYSA-N 1 1 288.347 3.033 20 10 CGCDMO CCc1c[nH]c2nc[nH+]c(N[C@@H](C)c3ccccc3O)c12 ZINC000895029298 619698940 /nfs/dbraw/zinc/69/89/40/619698940.db2.gz OHVSMBIBMUQCKC-JTQLQIEISA-N 1 1 282.347 3.399 20 10 CGCDMO CC(C)Cn1ccnc1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185545877 625374790 /nfs/dbraw/zinc/37/47/90/625374790.db2.gz ZLBDOFIPKGNMJO-LBPRGKRZSA-N 1 1 291.370 3.235 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000895581600 619856123 /nfs/dbraw/zinc/85/61/23/619856123.db2.gz CDQDQCLULGNUAX-JTQLQIEISA-N 1 1 294.807 3.492 20 10 CGCDMO Cc1cccc(C[N@H+]2CCS[C@H](C(F)(F)F)C2)c1O ZINC000896455957 620011646 /nfs/dbraw/zinc/01/16/46/620011646.db2.gz LYYOLUPRXPGZLL-NSHDSACASA-N 1 1 291.338 3.180 20 10 CGCDMO CS[C@@H]1CCC[C@@H]([NH2+]Cc2c(O)cccc2F)C1 ZINC000896640056 620041717 /nfs/dbraw/zinc/04/17/17/620041717.db2.gz OQHCHSXGHVXNPT-GHMZBOCLSA-N 1 1 269.385 3.295 20 10 CGCDMO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2O)C[C@H]1C ZINC000252782764 620375649 /nfs/dbraw/zinc/37/56/49/620375649.db2.gz VZYYZRQMINAAEC-NQBHXWOUSA-N 1 1 251.345 3.446 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000898516246 620595291 /nfs/dbraw/zinc/59/52/91/620595291.db2.gz ORSVBLZAYWFRDF-JKSUJKDBSA-N 1 1 289.419 3.339 20 10 CGCDMO C[C@H]([NH2+][C@H]1C[C@H](CO)C1)c1cc(Cl)c(Cl)cc1O ZINC000927148218 620604798 /nfs/dbraw/zinc/60/47/98/620604798.db2.gz PSHBKZLOWFKBAS-CIUDSAMLSA-N 1 1 290.190 3.121 20 10 CGCDMO C[C@@H]([NH2+]CC1(N)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000902417533 621309563 /nfs/dbraw/zinc/30/95/63/621309563.db2.gz SEUCULHVPQZANC-OAHLLOKOSA-N 1 1 287.451 3.209 20 10 CGCDMO CC(C)(C)c1coc(C[NH2+][C@H]2CCc3cccc(O)c32)n1 ZINC000903313603 621685140 /nfs/dbraw/zinc/68/51/40/621685140.db2.gz UNWQPGKROFXSKS-LBPRGKRZSA-N 1 1 286.375 3.455 20 10 CGCDMO C[C@H]([NH2+]CC1(O)CCCCCC1)c1ccc(F)cc1O ZINC000087088660 623022053 /nfs/dbraw/zinc/02/20/53/623022053.db2.gz MPCLJYVTJCQDHV-LBPRGKRZSA-N 1 1 281.371 3.267 20 10 CGCDMO Oc1ccccc1C[N@@H+](C[C@H]1CCCO1)[C@H]1C=CCCC1 ZINC000171922978 623200564 /nfs/dbraw/zinc/20/05/64/623200564.db2.gz ZYGGNXSBADFOOT-DLBZAZTESA-N 1 1 287.403 3.482 20 10 CGCDMO CCOc1cccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1O ZINC000093441972 623670522 /nfs/dbraw/zinc/67/05/22/623670522.db2.gz MTVXJCHXLKEJHQ-OKILXGFUSA-N 1 1 275.392 3.413 20 10 CGCDMO Cc1ncc(C[N@H+](C)Cc2cccc(C)c2O)s1 ZINC000179790382 624684722 /nfs/dbraw/zinc/68/47/22/624684722.db2.gz ILHVNBDAZVTAKL-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO C[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc(F)ccc1O ZINC000179927837 624699389 /nfs/dbraw/zinc/69/93/89/624699389.db2.gz DAKHULOGPVXCOD-UHFFFAOYSA-N 1 1 281.277 3.442 20 10 CGCDMO CC(C)[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCS1 ZINC000180250302 624730568 /nfs/dbraw/zinc/73/05/68/624730568.db2.gz OPLBYPUSRIAGBS-AWEZNQCLSA-N 1 1 269.385 3.105 20 10 CGCDMO CCC[N@H+](Cc1nccn1CC)Cc1ccccc1O ZINC000068973544 624772784 /nfs/dbraw/zinc/77/27/84/624772784.db2.gz RIAMIPGVZQBYFA-UHFFFAOYSA-N 1 1 273.380 3.021 20 10 CGCDMO CCC[N@@H+](Cc1nccn1CC)Cc1ccccc1O ZINC000068973544 624772793 /nfs/dbraw/zinc/77/27/93/624772793.db2.gz RIAMIPGVZQBYFA-UHFFFAOYSA-N 1 1 273.380 3.021 20 10 CGCDMO COc1cccc2c1CC[N@@H+](Cc1cc(C)ccc1O)C2 ZINC000180785958 624774046 /nfs/dbraw/zinc/77/40/46/624774046.db2.gz WSQIWEVADRNGBL-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO CC[C@@H](C)[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000181116304 624809920 /nfs/dbraw/zinc/80/99/20/624809920.db2.gz SLSKABZNNCWZPX-CQSZACIVSA-N 1 1 262.397 3.006 20 10 CGCDMO CC[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000182977546 625038851 /nfs/dbraw/zinc/03/88/51/625038851.db2.gz AJPCQQOHCLOJMK-UHFFFAOYSA-N 1 1 271.360 3.423 20 10 CGCDMO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)c2nccn21 ZINC000922163421 625977404 /nfs/dbraw/zinc/97/74/04/625977404.db2.gz ACBQIOIYBXIBDS-DOMZBBRYSA-N 1 1 283.375 3.004 20 10 CGCDMO Cc1ccc(O)c(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)c1 ZINC000922519633 626010820 /nfs/dbraw/zinc/01/08/20/626010820.db2.gz FIKHWYCAVKDPTA-YOEHRIQHSA-N 1 1 287.334 3.262 20 10 CGCDMO C[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)CCS1 ZINC000922833528 626052594 /nfs/dbraw/zinc/05/25/94/626052594.db2.gz IYRAXVCJCVSURD-GZMMTYOYSA-N 1 1 273.348 3.044 20 10 CGCDMO CCOC[C@H]1CCCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000839168425 626324622 /nfs/dbraw/zinc/32/46/22/626324622.db2.gz ANGIGARJYIWBFE-MRXNPFEDSA-N 1 1 277.408 3.400 20 10 CGCDMO CC[N@@H+](CCOC)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000754722080 626584469 /nfs/dbraw/zinc/58/44/69/626584469.db2.gz BNMMNUFJJIQMOI-UHFFFAOYSA-N 1 1 295.423 3.167 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H](C)CC2)c1O ZINC000754719707 626584703 /nfs/dbraw/zinc/58/47/03/626584703.db2.gz HHPOWDJNTVABRS-LBPRGKRZSA-N 1 1 263.381 3.331 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)CCS1 ZINC000754882377 626592448 /nfs/dbraw/zinc/59/24/48/626592448.db2.gz LLQCTAJSQXJOGL-LBPRGKRZSA-N 1 1 288.416 3.268 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)CCS1 ZINC000756146165 626681043 /nfs/dbraw/zinc/68/10/43/626681043.db2.gz HAQKGYBVYHPGHD-LBPRGKRZSA-N 1 1 282.428 3.219 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)CCS1 ZINC000756146164 626681292 /nfs/dbraw/zinc/68/12/92/626681292.db2.gz HAQKGYBVYHPGHD-GFCCVEGCSA-N 1 1 282.428 3.219 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC2CCCC2)c1 ZINC000756371891 626697630 /nfs/dbraw/zinc/69/76/30/626697630.db2.gz PDYWQYSIEWRWAT-GFCCVEGCSA-N 1 1 291.391 3.410 20 10 CGCDMO C[C@H]([NH2+]C[C@H](O)c1ccsc1)c1cc(F)cc(F)c1O ZINC000756595915 626719024 /nfs/dbraw/zinc/71/90/24/626719024.db2.gz ZYFDTRIAPSBGAB-SDBXPKJASA-N 1 1 299.342 3.116 20 10 CGCDMO C[C@H]([NH2+]Cc1cccc(F)n1)c1cc(F)cc(F)c1O ZINC000756769183 626730478 /nfs/dbraw/zinc/73/04/78/626730478.db2.gz OQRATXOROSNMFK-QMMMGPOBSA-N 1 1 282.265 3.055 20 10 CGCDMO Cc1cc(C[N@H+]2CCO[C@@H](C3CCC3)C2)ccc1N(C)C ZINC000839623503 626767846 /nfs/dbraw/zinc/76/78/46/626767846.db2.gz FEGNKZUYLIUEPQ-GOSISDBHSA-N 1 1 288.435 3.062 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CC23CCCC3)c1 ZINC000760040382 626937250 /nfs/dbraw/zinc/93/72/50/626937250.db2.gz JWIWISKFOIYEGQ-ABAIWWIYSA-N 1 1 289.375 3.162 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+](C)Cc2ccoc2)c1O ZINC000761192611 627024300 /nfs/dbraw/zinc/02/43/00/627024300.db2.gz UQCYKYWAXODEOF-UHFFFAOYSA-N 1 1 281.739 3.279 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@@H](C)C(C)(C)C2)c1O ZINC000761225005 627026781 /nfs/dbraw/zinc/02/67/81/627026781.db2.gz FCHWAXNZIQDZST-GFCCVEGCSA-N 1 1 263.381 3.269 20 10 CGCDMO COc1cc(C[N@H+]2CC3(CCC3)C[C@H]2C)c(O)cc1C ZINC000762140888 627094849 /nfs/dbraw/zinc/09/48/49/627094849.db2.gz WRGPXYIOTSBWMZ-CYBMUJFWSA-N 1 1 275.392 3.474 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C(C)C ZINC000125080560 634566104 /nfs/dbraw/zinc/56/61/04/634566104.db2.gz IKRVIZPVVNJUOV-OKILXGFUSA-N 1 1 277.408 3.433 20 10 CGCDMO CCC[N@@H+](CCO)Cc1cc(-c2ccccc2)ccc1O ZINC000768174688 627465758 /nfs/dbraw/zinc/46/57/58/627465758.db2.gz LACINQSSAPAUEJ-UHFFFAOYSA-N 1 1 285.387 3.264 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)CC1CCCCC1 ZINC000768236750 627470338 /nfs/dbraw/zinc/47/03/38/627470338.db2.gz KEISDKDPUDQSBK-UHFFFAOYSA-N 1 1 263.381 3.413 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC[C@H]2C(C)C)c(O)c1 ZINC000768317184 627473524 /nfs/dbraw/zinc/47/35/24/627473524.db2.gz GKJZSARWGMQMSN-HNNXBMFYSA-N 1 1 263.381 3.411 20 10 CGCDMO CCC(CC)C[N@@H+](CC)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768439719 627479597 /nfs/dbraw/zinc/47/95/97/627479597.db2.gz MSWLKCBGXDJQDK-MRXNPFEDSA-N 1 1 293.407 3.076 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)CC(C)(C)O1 ZINC000768444463 627480716 /nfs/dbraw/zinc/48/07/16/627480716.db2.gz YKJFYLMJHKCWIH-CYBMUJFWSA-N 1 1 289.419 3.270 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCc3ccc(O)cc3C2)cc1 ZINC000768869275 627504811 /nfs/dbraw/zinc/50/48/11/627504811.db2.gz SSUBUUDYRSMOGC-UHFFFAOYSA-N 1 1 282.387 3.017 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](Cc1ccccn1)C(C)C ZINC000768927606 627509675 /nfs/dbraw/zinc/50/96/75/627509675.db2.gz ZFQGMOOTMBQVPC-UHFFFAOYSA-N 1 1 286.375 3.206 20 10 CGCDMO CC[N@H+](CC(=O)OC)Cc1cc(-c2ccccc2)ccc1O ZINC000769317549 627540055 /nfs/dbraw/zinc/54/00/55/627540055.db2.gz RTOVROBEJIRTJM-UHFFFAOYSA-N 1 1 299.370 3.054 20 10 CGCDMO CC[N@@H+](CC(=O)OC)Cc1cc(-c2ccccc2)ccc1O ZINC000769317549 627540058 /nfs/dbraw/zinc/54/00/58/627540058.db2.gz RTOVROBEJIRTJM-UHFFFAOYSA-N 1 1 299.370 3.054 20 10 CGCDMO Oc1ccccc1C[N@@H+](Cc1cn[nH]c1)C1CCCC1 ZINC000769388170 627547984 /nfs/dbraw/zinc/54/79/84/627547984.db2.gz KDEWLPAJHSLWDU-UHFFFAOYSA-N 1 1 271.364 3.060 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](CCCO)C2CC2)cc1F ZINC000769404065 627549546 /nfs/dbraw/zinc/54/95/46/627549546.db2.gz IMAKHTZCNDNVTJ-UHFFFAOYSA-N 1 1 294.414 3.019 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@H](C)[C@@H]2C)cc1 ZINC000769421596 627550970 /nfs/dbraw/zinc/55/09/70/627550970.db2.gz AXXHNBGPTIACPV-LSDHHAIUSA-N 1 1 276.424 3.142 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCCC[C@@H](SC)C1 ZINC000770346138 627614114 /nfs/dbraw/zinc/61/41/14/627614114.db2.gz DCUXFPKAYCYYKU-GFCCVEGCSA-N 1 1 281.421 3.118 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000770371942 627615530 /nfs/dbraw/zinc/61/55/30/627615530.db2.gz CVUZBJLOOAXMHU-STQMWFEESA-N 1 1 295.810 3.294 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)C2CCN(CC)CC2)cc1 ZINC000773756199 627911464 /nfs/dbraw/zinc/91/14/64/627911464.db2.gz UROJVVTZDFTJPE-UHFFFAOYSA-N 1 1 289.467 3.059 20 10 CGCDMO CCO[C@H]1CCC[N@@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000773754279 627911483 /nfs/dbraw/zinc/91/14/83/627911483.db2.gz QJGGSZPJOFZTOX-KRWDZBQOSA-N 1 1 276.424 3.144 20 10 CGCDMO CCC[C@@H]1C[N@@H+](Cc2ccc(N(C)CC)cc2)CCO1 ZINC000773804745 627916860 /nfs/dbraw/zinc/91/68/60/627916860.db2.gz DKIZMXTZTFQXFR-QGZVFWFLSA-N 1 1 276.424 3.144 20 10 CGCDMO COc1c(O)c(C[NH2+][C@H](C)CCC(C)C)ccc1[N+](=O)[O-] ZINC000774943998 628050697 /nfs/dbraw/zinc/05/06/97/628050697.db2.gz ZCSKVJPPFGXJKH-LLVKDONJSA-N 1 1 296.367 3.223 20 10 CGCDMO CC[N@H+](Cc1cc(Cl)cc(C)c1O)C[C@H]1CCOC1 ZINC000775653676 628120132 /nfs/dbraw/zinc/12/01/32/628120132.db2.gz MJPATWRRHUXLEL-GFCCVEGCSA-N 1 1 283.799 3.212 20 10 CGCDMO CCC[N@H+](CC(=O)OCC)Cc1cc(Cl)cc(C)c1O ZINC000775663543 628121871 /nfs/dbraw/zinc/12/18/71/628121871.db2.gz MUGQLJOEVGTNQX-UHFFFAOYSA-N 1 1 299.798 3.129 20 10 CGCDMO CCC[N@@H+](CC(=O)OCC)Cc1cc(Cl)cc(C)c1O ZINC000775663543 628121874 /nfs/dbraw/zinc/12/18/74/628121874.db2.gz MUGQLJOEVGTNQX-UHFFFAOYSA-N 1 1 299.798 3.129 20 10 CGCDMO C[C@H](NCC[C@@H]1CCCC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000775830218 628140569 /nfs/dbraw/zinc/14/05/69/628140569.db2.gz FGLKBKSHYXOOOA-YJBOKZPZSA-N 1 1 289.467 3.278 20 10 CGCDMO C[C@H](NCC[C@@H]1CCCC[N@H+]1C)c1ccc(N(C)C)cc1 ZINC000775830218 628140574 /nfs/dbraw/zinc/14/05/74/628140574.db2.gz FGLKBKSHYXOOOA-YJBOKZPZSA-N 1 1 289.467 3.278 20 10 CGCDMO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(N(C)C)cc1 ZINC000775830218 628140577 /nfs/dbraw/zinc/14/05/77/628140577.db2.gz FGLKBKSHYXOOOA-YJBOKZPZSA-N 1 1 289.467 3.278 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]2CC)c(O)c1 ZINC000775997558 628156957 /nfs/dbraw/zinc/15/69/57/628156957.db2.gz BEHIRCIVPCVMBX-DOMZBBRYSA-N 1 1 263.381 3.411 20 10 CGCDMO CCOc1ccc(CNc2ccc(C)c[nH+]2)c(O)c1 ZINC000776031142 628160526 /nfs/dbraw/zinc/16/05/26/628160526.db2.gz BJBPMJGJUUVGBW-UHFFFAOYSA-N 1 1 258.321 3.106 20 10 CGCDMO C[N@@H+](Cc1cccs1)Cc1cc(F)ccc1O ZINC000778993974 628381699 /nfs/dbraw/zinc/38/16/99/628381699.db2.gz ZNCCHLOCWJQDGN-UHFFFAOYSA-N 1 1 251.326 3.225 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000781149969 628540827 /nfs/dbraw/zinc/54/08/27/628540827.db2.gz ANAVLDHXUXSOEM-ZDUSSCGKSA-N 1 1 285.334 3.213 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC=CCC2)c1 ZINC000781919550 628605168 /nfs/dbraw/zinc/60/51/68/628605168.db2.gz CJJUTTUXEDGABX-UHFFFAOYSA-N 1 1 282.181 3.225 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC=CCC2)c1 ZINC000781919550 628605172 /nfs/dbraw/zinc/60/51/72/628605172.db2.gz CJJUTTUXEDGABX-UHFFFAOYSA-N 1 1 282.181 3.225 20 10 CGCDMO C[C@@H](NCC[N@H+](C)C1CCCCC1)c1ccccc1O ZINC000783499776 628718695 /nfs/dbraw/zinc/71/86/95/628718695.db2.gz BGGDGLWHNFXDJP-CQSZACIVSA-N 1 1 276.424 3.307 20 10 CGCDMO C[C@@H](NCC[N@@H+](C)C1CCCCC1)c1ccccc1O ZINC000783499776 628718700 /nfs/dbraw/zinc/71/87/00/628718700.db2.gz BGGDGLWHNFXDJP-CQSZACIVSA-N 1 1 276.424 3.307 20 10 CGCDMO COc1ccc2c(c1)CC[N@H+](Cc1cc(C)ccc1O)CC2 ZINC000784681030 628829184 /nfs/dbraw/zinc/82/91/84/628829184.db2.gz VKKYOAGJIPVGTF-UHFFFAOYSA-N 1 1 297.398 3.310 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](CC[C@H]2CCCO2)C2CC2)cc1 ZINC000787184438 628999447 /nfs/dbraw/zinc/99/94/47/628999447.db2.gz POZKPVRYFHBCRV-GOSISDBHSA-N 1 1 288.435 3.286 20 10 CGCDMO COC[C@H](C)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788562332 629064869 /nfs/dbraw/zinc/06/48/69/629064869.db2.gz GVZXHDMRTGLRBF-NXEZZACHSA-N 1 1 291.313 3.344 20 10 CGCDMO CCC[C@H](O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788593483 629067559 /nfs/dbraw/zinc/06/75/59/629067559.db2.gz PXYATITUTQIQEA-ZJUUUORDSA-N 1 1 291.313 3.223 20 10 CGCDMO CC[C@H](CCO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788604579 629068371 /nfs/dbraw/zinc/06/83/71/629068371.db2.gz UNQHKIFHGCVUCH-NXEZZACHSA-N 1 1 291.313 3.223 20 10 CGCDMO C[C@H]([NH2+]CCC(C)(C)O)c1cccc(C(F)(F)F)c1O ZINC000788753603 629078713 /nfs/dbraw/zinc/07/87/13/629078713.db2.gz LRDYTBDRNZPOHI-VIFPVBQESA-N 1 1 291.313 3.223 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@]2(CC)CO)cc1 ZINC000789567008 629145797 /nfs/dbraw/zinc/14/57/97/629145797.db2.gz QOBWPZDIFDKZHB-GOSISDBHSA-N 1 1 290.451 3.270 20 10 CGCDMO CCn1ccc(C[N@@H+](C)Cc2c(O)ccc3ccncc32)c1 ZINC000790447218 629211356 /nfs/dbraw/zinc/21/13/56/629211356.db2.gz PABKMWPAXRIRCR-UHFFFAOYSA-N 1 1 295.386 3.394 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)c1O ZINC000790934107 629241283 /nfs/dbraw/zinc/24/12/83/629241283.db2.gz DZGPXSWPISAWPG-DOMZBBRYSA-N 1 1 297.826 3.479 20 10 CGCDMO C[C@H]1CCC[N@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862243013 629330298 /nfs/dbraw/zinc/33/02/98/629330298.db2.gz WEXWPRCYURZVBD-JTQLQIEISA-N 1 1 254.324 3.015 20 10 CGCDMO COCC[N@@H+](Cc1cc(F)ccc1O)[C@H]1CC[C@H](C)C1 ZINC000792193373 629348222 /nfs/dbraw/zinc/34/82/22/629348222.db2.gz UGEMSEPBASZKTI-WFASDCNBSA-N 1 1 281.371 3.168 20 10 CGCDMO COC[C@H]1CCCC[N@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862390128 629359537 /nfs/dbraw/zinc/35/95/37/629359537.db2.gz BDNURPLQWAWBAR-CYBMUJFWSA-N 1 1 298.377 3.032 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1F ZINC000862473573 629383513 /nfs/dbraw/zinc/38/35/13/629383513.db2.gz VWEVMGZYGUXKKC-KGLIPLIRSA-N 1 1 294.439 3.362 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCc3c(O)cccc3C2)c1O ZINC000862530305 629391948 /nfs/dbraw/zinc/39/19/48/629391948.db2.gz ZCXQBKMUNPIPBS-UHFFFAOYSA-N 1 1 299.370 3.055 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c1O ZINC000793214783 629429020 /nfs/dbraw/zinc/42/90/20/629429020.db2.gz RGJVOSSYDDCOBZ-ABAIWWIYSA-N 1 1 295.810 3.353 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC[C@@](C)(OC)CC2)c(O)c1 ZINC000793340576 629445178 /nfs/dbraw/zinc/44/51/78/629445178.db2.gz QSFBBWIHJGKRIW-QGZVFWFLSA-N 1 1 293.407 3.182 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)CN1CCCCC1)c1ccc(F)cc1O ZINC000796698194 629816742 /nfs/dbraw/zinc/81/67/42/629816742.db2.gz WQUUWPRRAMDZJD-XJKSGUPXSA-N 1 1 294.414 3.446 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1ccc(F)cc1O ZINC000796762385 629828798 /nfs/dbraw/zinc/82/87/98/629828798.db2.gz OXHGFWDODFFVKD-ZBFHGGJFSA-N 1 1 292.398 3.056 20 10 CGCDMO c1csc(SCCC[NH2+][C@@H]2CCCc3[nH]ncc32)n1 ZINC000796772439 629830581 /nfs/dbraw/zinc/83/05/81/629830581.db2.gz RRWPQXBFCRDMFR-LLVKDONJSA-N 1 1 294.449 3.016 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1ccc(F)cc1O ZINC000796778390 629831752 /nfs/dbraw/zinc/83/17/52/629831752.db2.gz KYZCTUPOBDFTOU-KYOSRNDESA-N 1 1 281.371 3.123 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(F)cc1O ZINC000796793265 629836089 /nfs/dbraw/zinc/83/60/89/629836089.db2.gz REDXWLCEPZTOLT-UKRRQHHQSA-N 1 1 267.344 3.141 20 10 CGCDMO CC[C@@H]([NH2+][C@H](CO)c1ccsc1)c1ccc(F)cc1O ZINC000796945351 629863321 /nfs/dbraw/zinc/86/33/21/629863321.db2.gz PMFNPCCVXLYELL-ZIAGYGMSSA-N 1 1 295.379 3.367 20 10 CGCDMO C[C@@H](CCO)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000798184609 630031808 /nfs/dbraw/zinc/03/18/08/630031808.db2.gz YVECWROBDSGSGF-UWVGGRQHSA-N 1 1 291.313 3.080 20 10 CGCDMO C[C@H](CCO)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000798184608 630032034 /nfs/dbraw/zinc/03/20/34/630032034.db2.gz YVECWROBDSGSGF-NXEZZACHSA-N 1 1 291.313 3.080 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[C@H]2C)c1 ZINC000798937063 630127808 /nfs/dbraw/zinc/12/78/08/630127808.db2.gz JPGPDNWGCYODHR-MBNYWOFBSA-N 1 1 291.391 3.266 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)cc1 ZINC000798962873 630129183 /nfs/dbraw/zinc/12/91/83/630129183.db2.gz RSGYDJBIYUAPQF-MRXNPFEDSA-N 1 1 281.403 3.137 20 10 CGCDMO CC[C@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)CCCO1 ZINC000798965470 630131569 /nfs/dbraw/zinc/13/15/69/630131569.db2.gz YBDKOJUHNIWMKB-JTQLQIEISA-N 1 1 287.762 3.186 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)CCCO1 ZINC000798965470 630131571 /nfs/dbraw/zinc/13/15/71/630131571.db2.gz YBDKOJUHNIWMKB-JTQLQIEISA-N 1 1 287.762 3.186 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@](C)(F)C2)c(O)cc1C ZINC000840097804 630592057 /nfs/dbraw/zinc/59/20/57/630592057.db2.gz DSXCYUAWWYTYQL-HNNXBMFYSA-N 1 1 267.344 3.033 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@H](O)C(C)(C)C ZINC000808756931 630674946 /nfs/dbraw/zinc/67/49/46/630674946.db2.gz AAAPSHJIBNETCW-INIZCTEOSA-N 1 1 279.424 3.401 20 10 CGCDMO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)C[C@H](O)C1CC1 ZINC000809751207 630800682 /nfs/dbraw/zinc/80/06/82/630800682.db2.gz DUYXFWAHGLNKOK-IBGZPJMESA-N 1 1 297.398 3.262 20 10 CGCDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000809768251 630803636 /nfs/dbraw/zinc/80/36/36/630803636.db2.gz GHDWPZRIXQHBHW-WBVHZDCISA-N 1 1 288.435 3.286 20 10 CGCDMO CCOC1CC([N@@H+](C)Cc2cc(Cl)cc(C)c2O)C1 ZINC000809773690 630803681 /nfs/dbraw/zinc/80/36/81/630803681.db2.gz HEQPKHIFMWCKAK-UHFFFAOYSA-N 1 1 283.799 3.353 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000811513467 631080481 /nfs/dbraw/zinc/08/04/81/631080481.db2.gz IPBPRFHVUWYAKN-INIZCTEOSA-N 1 1 273.376 3.165 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC(C)(C)[C@H]1C1CC1 ZINC000811513521 631082526 /nfs/dbraw/zinc/08/25/26/631082526.db2.gz JTTQFEWHQUUMJE-OAHLLOKOSA-N 1 1 261.365 3.021 20 10 CGCDMO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1ccccc1O)C2 ZINC000811518402 631083379 /nfs/dbraw/zinc/08/33/79/631083379.db2.gz JFIXROFJNWVXMJ-UHFFFAOYSA-N 1 1 295.382 3.448 20 10 CGCDMO COc1cc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c(O)cc1C ZINC000811778217 631119320 /nfs/dbraw/zinc/11/93/20/631119320.db2.gz BZSZNTRBSGBJAU-NSHDSACASA-N 1 1 285.334 3.186 20 10 CGCDMO Cc1ccc(C[N@H+]2CCn3cccc3[C@H]2C)c(O)c1 ZINC000876531518 634851987 /nfs/dbraw/zinc/85/19/87/634851987.db2.gz IIUYWGQQDZLNSI-CYBMUJFWSA-N 1 1 256.349 3.079 20 10 CGCDMO Cc1cc(C[N@@H+](C)[C@@H](CO)c2ccccc2)ccc1N(C)C ZINC000815037355 631706454 /nfs/dbraw/zinc/70/64/54/631706454.db2.gz IYTPGHCXERAHBY-IBGZPJMESA-N 1 1 298.430 3.226 20 10 CGCDMO Cc1n[nH]cc1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815595170 631802218 /nfs/dbraw/zinc/80/22/18/631802218.db2.gz JFCUVEKFWFUZJR-VIFPVBQESA-N 1 1 299.296 3.293 20 10 CGCDMO CCO[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816477591 631987496 /nfs/dbraw/zinc/98/74/96/631987496.db2.gz CSYFLLBWXZLUHX-NSHDSACASA-N 1 1 287.762 3.186 20 10 CGCDMO CCO[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816477591 631987515 /nfs/dbraw/zinc/98/75/15/631987515.db2.gz CSYFLLBWXZLUHX-NSHDSACASA-N 1 1 287.762 3.186 20 10 CGCDMO C[N@H+](Cc1ccccc1O)Cc1cccc(O)c1Cl ZINC000816492907 631991986 /nfs/dbraw/zinc/99/19/86/631991986.db2.gz JDPQZIUSGKLMGO-UHFFFAOYSA-N 1 1 277.751 3.383 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1cccc(O)c1Cl ZINC000816492907 631991988 /nfs/dbraw/zinc/99/19/88/631991988.db2.gz JDPQZIUSGKLMGO-UHFFFAOYSA-N 1 1 277.751 3.383 20 10 CGCDMO C[N@@H+](Cc1cc(Cl)c(F)cc1O)C[C@@H]1CCCCO1 ZINC000816496019 631994485 /nfs/dbraw/zinc/99/44/85/631994485.db2.gz SNCQIGFPJAULIZ-NSHDSACASA-N 1 1 287.762 3.186 20 10 CGCDMO C[N@H+](Cc1cc(Cl)c(F)cc1O)C[C@@H]1CCCCO1 ZINC000816496019 631994492 /nfs/dbraw/zinc/99/44/92/631994492.db2.gz SNCQIGFPJAULIZ-NSHDSACASA-N 1 1 287.762 3.186 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC(C)(C)[C@@H]2C(C)C)cc1OC ZINC000816624879 632027300 /nfs/dbraw/zinc/02/73/00/632027300.db2.gz KBIOWZPDRXKJKQ-INIZCTEOSA-N 1 1 293.407 3.276 20 10 CGCDMO Cc1cc(Br)cc(C[NH2+]CC(C)(F)F)c1O ZINC000816642677 632030642 /nfs/dbraw/zinc/03/06/42/632030642.db2.gz HMBNXDYQZJCQKH-UHFFFAOYSA-N 1 1 294.139 3.208 20 10 CGCDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000817414609 632145419 /nfs/dbraw/zinc/14/54/19/632145419.db2.gz MDTYPSFDDANKSM-CRAIPNDOSA-N 1 1 288.435 3.022 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000817414954 632145646 /nfs/dbraw/zinc/14/56/46/632145646.db2.gz NHFLZNGYTXMMKX-AWEZNQCLSA-N 1 1 275.392 3.413 20 10 CGCDMO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccs1 ZINC000817938318 632239322 /nfs/dbraw/zinc/23/93/22/632239322.db2.gz IZHYFGBKTFLFFD-IUODEOHRSA-N 1 1 289.448 3.165 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817942156 632240468 /nfs/dbraw/zinc/24/04/68/632240468.db2.gz XMEFISKATSTVIL-IUCAKERBSA-N 1 1 289.206 3.102 20 10 CGCDMO C[NH2+]CCCN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817939949 632240611 /nfs/dbraw/zinc/24/06/11/632240611.db2.gz IOUOLCZLRYQXBZ-AWEZNQCLSA-N 1 1 293.430 3.076 20 10 CGCDMO C[C@@H](NCC1([NH3+])CCCCCC1)c1cc(F)ccc1O ZINC000817943933 632242330 /nfs/dbraw/zinc/24/23/30/632242330.db2.gz SOULLRVTWWPEGK-GFCCVEGCSA-N 1 1 280.387 3.234 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CCCCN2)c1O ZINC000817949798 632246955 /nfs/dbraw/zinc/24/69/55/632246955.db2.gz NFZXIYCRGYJVPK-AAEUAGOBSA-N 1 1 282.815 3.147 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817952098 632247960 /nfs/dbraw/zinc/24/79/60/632247960.db2.gz NEIVBXQZJAYNHB-RKDXNWHRSA-N 1 1 289.206 3.102 20 10 CGCDMO CCN(C)c1ccc([C@H](C)NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000817966377 632261504 /nfs/dbraw/zinc/26/15/04/632261504.db2.gz MHWTVICOLOLXFS-MAUKXSAKSA-N 1 1 289.467 3.183 20 10 CGCDMO C[C@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N(C)C)cc1 ZINC000817987156 632275599 /nfs/dbraw/zinc/27/55/99/632275599.db2.gz WTZFXDDKDTVAQT-HOCLYGCPSA-N 1 1 287.451 3.078 20 10 CGCDMO C[C@@H]1CC2(C[N@H+]1Cc1cccc(Cl)c1[O-])CC[NH2+]CC2 ZINC000818431920 632318103 /nfs/dbraw/zinc/31/81/03/632318103.db2.gz WKXDUSPXSXMVOX-GFCCVEGCSA-N 1 1 294.826 3.010 20 10 CGCDMO CCc1cc(N[C@H](C)c2ccccc2O)nc(C)[nH+]1 ZINC000866239629 633040464 /nfs/dbraw/zinc/04/04/64/633040464.db2.gz WFROVYYQSHANCP-SNVBAGLBSA-N 1 1 257.337 3.226 20 10 CGCDMO CC1(C)CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000121134634 633207640 /nfs/dbraw/zinc/20/76/40/633207640.db2.gz NQQMRDCUNLXPIL-UHFFFAOYSA-N 1 1 288.435 3.145 20 10 CGCDMO C[C@@]1(F)CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000824472838 633249720 /nfs/dbraw/zinc/24/97/20/633249720.db2.gz ZOVSORSOZGCLNQ-CYBMUJFWSA-N 1 1 257.736 3.370 20 10 CGCDMO C[C@@]1(F)CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000824472838 633249725 /nfs/dbraw/zinc/24/97/25/633249725.db2.gz ZOVSORSOZGCLNQ-CYBMUJFWSA-N 1 1 257.736 3.370 20 10 CGCDMO COc1cccc(C[N@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1O ZINC000824703129 633276556 /nfs/dbraw/zinc/27/65/56/633276556.db2.gz WFZYWUQRQRDKAE-PXMRGAAZSA-N 1 1 285.387 3.045 20 10 CGCDMO C[C@@]12C[N@@H+](Cc3ccccc3O)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000824702832 633276911 /nfs/dbraw/zinc/27/69/11/633276911.db2.gz RFDMUWKRJQLHOA-DYWXZXKOSA-N 1 1 255.361 3.036 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCSC[C@H]2C)cc1Cl ZINC000824806845 633293332 /nfs/dbraw/zinc/29/33/32/633293332.db2.gz AAWBYWKIQUWKSU-SNVBAGLBSA-N 1 1 271.813 3.291 20 10 CGCDMO CCn1cc(C[N@@H+](C)Cc2cc(Cl)c(C)cc2O)cn1 ZINC000824818101 633295897 /nfs/dbraw/zinc/29/58/97/633295897.db2.gz GMVZLGKFBIHVTE-UHFFFAOYSA-N 1 1 293.798 3.202 20 10 CGCDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(C)c2O)C12CCC2 ZINC000825104334 633329567 /nfs/dbraw/zinc/32/95/67/633329567.db2.gz UHMCHVYQKFAOOO-CABCVRRESA-N 1 1 275.392 3.090 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000825134289 633331794 /nfs/dbraw/zinc/33/17/94/633331794.db2.gz XZWFTCFKCDBMKG-HNNXBMFYSA-N 1 1 299.773 3.187 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000825134289 633331796 /nfs/dbraw/zinc/33/17/96/633331796.db2.gz XZWFTCFKCDBMKG-HNNXBMFYSA-N 1 1 299.773 3.187 20 10 CGCDMO COC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000825293962 633342521 /nfs/dbraw/zinc/34/25/21/633342521.db2.gz FXCJSAKZBUDGBR-LLVKDONJSA-N 1 1 287.762 3.186 20 10 CGCDMO COC[C@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000825293962 633342523 /nfs/dbraw/zinc/34/25/23/633342523.db2.gz FXCJSAKZBUDGBR-LLVKDONJSA-N 1 1 287.762 3.186 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000825489237 633357351 /nfs/dbraw/zinc/35/73/51/633357351.db2.gz FXVKDYNYTUIQEK-ZDUSSCGKSA-N 1 1 283.799 3.355 20 10 CGCDMO CC[C@@H]1CC[N@H+]1Cc1ccc(Br)cc1O ZINC000825992162 633394828 /nfs/dbraw/zinc/39/48/28/633394828.db2.gz SMJZMBZOJJYEMR-LLVKDONJSA-N 1 1 270.170 3.139 20 10 CGCDMO CC[N@H+](Cc1cc(Cl)c(C)cc1O)C[C@@H](C)OC ZINC000825955086 633391548 /nfs/dbraw/zinc/39/15/48/633391548.db2.gz FWBUTGHZDCXBRL-LLVKDONJSA-N 1 1 271.788 3.211 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](CCF)C2)c1 ZINC000827271592 633477543 /nfs/dbraw/zinc/47/75/43/633477543.db2.gz RUMUSHPTURIGLK-ZDUSSCGKSA-N 1 1 281.371 3.363 20 10 CGCDMO Cc1cc(C[N@@H+]2CCO[C@H](C)C2)ccc1N1CCCCC1 ZINC000827288504 633478727 /nfs/dbraw/zinc/47/87/27/633478727.db2.gz YDIIOYPAPBZLMS-MRXNPFEDSA-N 1 1 288.435 3.206 20 10 CGCDMO Cc1cc(C[N@H+]2CCO[C@H](C)C2)ccc1N1CCCCC1 ZINC000827288504 633478734 /nfs/dbraw/zinc/47/87/34/633478734.db2.gz YDIIOYPAPBZLMS-MRXNPFEDSA-N 1 1 288.435 3.206 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000827371465 633486001 /nfs/dbraw/zinc/48/60/01/633486001.db2.gz VLKPPKSBNCHPHV-NEPJUHHUSA-N 1 1 283.799 3.353 20 10 CGCDMO CC[N@@H+](CCCO)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000827938232 633537603 /nfs/dbraw/zinc/53/76/03/633537603.db2.gz KKHGYHRLQYPSIV-UHFFFAOYSA-N 1 1 290.451 3.190 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ccc(F)cc1O ZINC000872108540 634032151 /nfs/dbraw/zinc/03/21/51/634032151.db2.gz AEHDCMICCYHNJX-GPMKHBRKSA-N 1 1 279.355 3.140 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)[C@@H](CO)C(C)(C)C)cc1 ZINC000835028655 634325353 /nfs/dbraw/zinc/32/53/53/634325353.db2.gz OJWCXHZNIPXSSX-OZSKJFCKSA-N 1 1 290.451 3.105 20 10 CGCDMO COC[C@@H]1CCC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835028916 634325626 /nfs/dbraw/zinc/32/56/26/634325626.db2.gz NGSSRDOUHRVJOD-UKINESCASA-N 1 1 288.435 3.124 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+]2CCc3ncsc3C2)cc1 ZINC000835044579 634331574 /nfs/dbraw/zinc/33/15/74/634331574.db2.gz AKMRRYZCEKWNBF-ONEGZZNKSA-N 1 1 299.443 3.281 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCc3ncsc3C2)cc1 ZINC000835044579 634331579 /nfs/dbraw/zinc/33/15/79/634331579.db2.gz AKMRRYZCEKWNBF-ONEGZZNKSA-N 1 1 299.443 3.281 20 10 CGCDMO CCc1nc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)co1 ZINC000835054322 634337751 /nfs/dbraw/zinc/33/77/51/634337751.db2.gz KAOZSVINNLDYTL-AATRIKPKSA-N 1 1 285.391 3.106 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(C)cc2O)cc1 ZINC000876531836 634851548 /nfs/dbraw/zinc/85/15/48/634851548.db2.gz QOOQTAVDXGITGU-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+](C)Cc1ccccc1O ZINC000876615637 634869030 /nfs/dbraw/zinc/86/90/30/634869030.db2.gz JSWIYDRVYVAUSB-UHFFFAOYSA-N 1 1 257.333 3.038 20 10 CGCDMO Cc1ccc(CN2CCC[N@H+](C(C)(C)C)CC2)c(O)c1 ZINC000876651195 634876046 /nfs/dbraw/zinc/87/60/46/634876046.db2.gz RQKUXWKPFPJUOI-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCCN(C(C)(C)C)CC2)c(O)c1 ZINC000876651195 634876049 /nfs/dbraw/zinc/87/60/49/634876049.db2.gz RQKUXWKPFPJUOI-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO Cc1ccc(C[N@H+]2CCCN(C(C)(C)C)CC2)c(O)c1 ZINC000876651195 634876054 /nfs/dbraw/zinc/87/60/54/634876054.db2.gz RQKUXWKPFPJUOI-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)c(O)c1 ZINC000876750128 634892077 /nfs/dbraw/zinc/89/20/77/634892077.db2.gz OGQQYQNWQKHIEW-NEPJUHHUSA-N 1 1 251.395 3.026 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c(O)c1 ZINC000876750134 634892490 /nfs/dbraw/zinc/89/24/90/634892490.db2.gz OGQQYQNWQKHIEW-RYUDHWBXSA-N 1 1 251.395 3.026 20 10 CGCDMO C[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1ccccc1O ZINC000840864021 635068292 /nfs/dbraw/zinc/06/82/92/635068292.db2.gz AQDWAGQWVPVGGS-VIFPVBQESA-N 1 1 297.280 3.052 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000877524412 635071958 /nfs/dbraw/zinc/07/19/58/635071958.db2.gz XLKPXWDOIJROLA-MRXNPFEDSA-N 1 1 268.360 3.433 20 10 CGCDMO Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c(O)c1 ZINC000877552870 635086915 /nfs/dbraw/zinc/08/69/15/635086915.db2.gz HOZNOXFJNIHQNP-KRWDZBQOSA-N 1 1 287.403 3.092 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2C)cn1 ZINC000840940055 635087167 /nfs/dbraw/zinc/08/71/67/635087167.db2.gz UVKQNKVONQLHMR-UHFFFAOYSA-N 1 1 299.418 3.097 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C)CCCO1 ZINC000840942388 635088035 /nfs/dbraw/zinc/08/80/35/635088035.db2.gz FTRYBLMHOJHYHU-KRWDZBQOSA-N 1 1 276.424 3.062 20 10 CGCDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840946453 635089614 /nfs/dbraw/zinc/08/96/14/635089614.db2.gz KPPSVZIVSPOOOT-SFHVURJKSA-N 1 1 290.451 3.046 20 10 CGCDMO CCOC[C@@H]1CCCC[N@H+]1Cc1ccc(C)cc1O ZINC000877584855 635102577 /nfs/dbraw/zinc/10/25/77/635102577.db2.gz JUIKEGFGMGRUCY-HNNXBMFYSA-N 1 1 263.381 3.092 20 10 CGCDMO Cc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c(O)c1 ZINC000877588571 635104448 /nfs/dbraw/zinc/10/44/48/635104448.db2.gz SRYGOIQFOQYCPC-DLBZAZTESA-N 1 1 283.371 3.009 20 10 CGCDMO CCn1nc(C)c(C[N@@H+](C)Cc2c(C)cccc2O)c1C ZINC000877664340 635137542 /nfs/dbraw/zinc/13/75/42/635137542.db2.gz OFPAPTSETOBKES-UHFFFAOYSA-N 1 1 287.407 3.166 20 10 CGCDMO Cc1cccc(O)c1CN1CCC(C)([NH+]2CCCC2)CC1 ZINC000877673169 635141305 /nfs/dbraw/zinc/14/13/05/635141305.db2.gz BEBPWJCNWMPGED-UHFFFAOYSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1csc([C@H]2CC[N@@H+](Cc3cccc(C)c3O)C2)n1 ZINC000877813278 635218936 /nfs/dbraw/zinc/21/89/36/635218936.db2.gz JVWLCYWVIIMQDE-AWEZNQCLSA-N 1 1 288.416 3.455 20 10 CGCDMO C[C@@H](CO)CCC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841753256 635227772 /nfs/dbraw/zinc/22/77/72/635227772.db2.gz YGFVNVGBMHFMAU-MNOVXSKESA-N 1 1 271.788 3.105 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1ccc(Cl)cc1O ZINC000841753468 635227788 /nfs/dbraw/zinc/22/77/88/635227788.db2.gz UIIKIFDYRSUSPC-COPLHBTASA-N 1 1 283.799 3.247 20 10 CGCDMO CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841754865 635228977 /nfs/dbraw/zinc/22/89/77/635228977.db2.gz MWOWFAPDOWAZPS-DMDPSCGWSA-N 1 1 285.815 3.493 20 10 CGCDMO C[C@H]([NH2+]CCC(C)(C)CO)c1ccc(Cl)cc1O ZINC000841758933 635231796 /nfs/dbraw/zinc/23/17/96/635231796.db2.gz WHDADVUVRDPARQ-JTQLQIEISA-N 1 1 271.788 3.105 20 10 CGCDMO Cc1ncccc1OC[C@@H]1CCC[N@H+]1Cc1ccccc1O ZINC000841900038 635250625 /nfs/dbraw/zinc/25/06/25/635250625.db2.gz ZDFFCWDSKQPHOZ-INIZCTEOSA-N 1 1 298.386 3.139 20 10 CGCDMO CC[N@@H+](CCSC)Cc1cc2c(cc1O)CCC2 ZINC000842643361 635426638 /nfs/dbraw/zinc/42/66/38/635426638.db2.gz BNGHRIBKNOHEMV-UHFFFAOYSA-N 1 1 265.422 3.066 20 10 CGCDMO C[C@H]1SCC[C@@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000842778565 635469896 /nfs/dbraw/zinc/46/98/96/635469896.db2.gz GYYVCTHWJNRVAX-XCBNKYQSSA-N 1 1 275.776 3.168 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(C)cc(OC)c2O)[C@H](CC)CO1 ZINC000844724826 635957390 /nfs/dbraw/zinc/95/73/90/635957390.db2.gz FGJSOKPGIQSODY-HUUCEWRRSA-N 1 1 293.407 3.099 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2ccccc2O)c(F)c1 ZINC000845905705 636117228 /nfs/dbraw/zinc/11/72/28/636117228.db2.gz JPBHUBKFPMCWFG-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO COc1ccc(O)c([C@@H](C)NCCC[N@H+](C)CC(C)C)c1 ZINC000845997150 636127742 /nfs/dbraw/zinc/12/77/42/636127742.db2.gz VMMLXNCZSRVZSP-CQSZACIVSA-N 1 1 294.439 3.029 20 10 CGCDMO COc1ccc(O)c([C@@H](C)NCCC[N@@H+](C)CC(C)C)c1 ZINC000845997150 636127744 /nfs/dbraw/zinc/12/77/44/636127744.db2.gz VMMLXNCZSRVZSP-CQSZACIVSA-N 1 1 294.439 3.029 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000846014793 636129749 /nfs/dbraw/zinc/12/97/49/636129749.db2.gz VQKSGHGREIOMEE-SFHVURJKSA-N 1 1 290.451 3.450 20 10 CGCDMO C[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1ccc(F)cc1O ZINC000846186744 636156324 /nfs/dbraw/zinc/15/63/24/636156324.db2.gz FTJPVROQYJDRDB-APPDUMDISA-N 1 1 293.382 3.387 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)COCC1CC1)c1ccc(F)cc1O ZINC000846205184 636158648 /nfs/dbraw/zinc/15/86/48/636158648.db2.gz NRMNHPDIFNCMRH-XHDPSFHLSA-N 1 1 281.371 3.387 20 10 CGCDMO CCC[N@@H+](CC(=O)Nc1ccccc1)Cc1ccccc1O ZINC000130727979 636504987 /nfs/dbraw/zinc/50/49/87/636504987.db2.gz CKYBTIONJWAFLW-UHFFFAOYSA-N 1 1 298.386 3.243 20 10 CGCDMO CC(C)C[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)CCO1 ZINC000883084459 636535628 /nfs/dbraw/zinc/53/56/28/636535628.db2.gz RWTMAQZDVYOBRW-KGLIPLIRSA-N 1 1 299.361 3.354 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000883162642 636561445 /nfs/dbraw/zinc/56/14/45/636561445.db2.gz ZIUBRMZLJOTSQQ-ZDUSSCGKSA-N 1 1 297.345 3.252 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000883195919 636578684 /nfs/dbraw/zinc/57/86/84/636578684.db2.gz FZZUXGLUXJFIDR-GJZGRUSLSA-N 1 1 297.345 3.108 20 10 CGCDMO C[C@@H]([NH2+]C1(c2ncccn2)CCC1)c1cc(F)ccc1O ZINC000883311673 636662240 /nfs/dbraw/zinc/66/22/40/636662240.db2.gz ITWOBMLTNAWYJS-LLVKDONJSA-N 1 1 287.338 3.051 20 10 CGCDMO CCc1cccc(C[N@@H+]2CCC[C@H](N3CCCC3)C2)c1O ZINC000848881354 636670018 /nfs/dbraw/zinc/67/00/18/636670018.db2.gz GUZUVWUODOZKPF-KRWDZBQOSA-N 1 1 288.435 3.015 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@H](N3CCCC3)C2)c1O ZINC000848881354 636670021 /nfs/dbraw/zinc/67/00/21/636670021.db2.gz GUZUVWUODOZKPF-KRWDZBQOSA-N 1 1 288.435 3.015 20 10 CGCDMO Cc1c(C[N@@H+](Cc2ccccc2O)C2CCCC2)cnn1C ZINC000131538783 636679405 /nfs/dbraw/zinc/67/94/05/636679405.db2.gz PCSDCSQZZHGAKN-UHFFFAOYSA-N 1 1 299.418 3.379 20 10 CGCDMO CCc1cccc(C[N@H+]2CCCCC[C@@H]2CCO)c1O ZINC000848908857 636685555 /nfs/dbraw/zinc/68/55/55/636685555.db2.gz FSIUDGSQVLMWFE-MRXNPFEDSA-N 1 1 277.408 3.082 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1O ZINC000848908933 636685601 /nfs/dbraw/zinc/68/56/01/636685601.db2.gz GFHQALVHTQKXIO-CVEARBPZSA-N 1 1 275.392 3.098 20 10 CGCDMO CCc1cccc(C[N@H+]2C[C@@H](N3CCCC3)C[C@@H]2C)c1O ZINC000848909882 636686549 /nfs/dbraw/zinc/68/65/49/636686549.db2.gz BYVOYNBBQOJHJA-YOEHRIQHSA-N 1 1 288.435 3.013 20 10 CGCDMO CCc1cccc(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1O ZINC000848909882 636686553 /nfs/dbraw/zinc/68/65/53/636686553.db2.gz BYVOYNBBQOJHJA-YOEHRIQHSA-N 1 1 288.435 3.013 20 10 CGCDMO CCc1cccc(C[N@H+]2C[C@H](C)OCC23CCC3)c1O ZINC000848919920 636691457 /nfs/dbraw/zinc/69/14/57/636691457.db2.gz VSPKXVJZOWOJAX-ZDUSSCGKSA-N 1 1 275.392 3.098 20 10 CGCDMO CCC[N@H+](Cc1ccc(N2CCN(C)CC2)cc1)C(C)C ZINC000848924165 636695852 /nfs/dbraw/zinc/69/58/52/636695852.db2.gz WBTDJCFOGPQDHS-UHFFFAOYSA-N 1 1 289.467 3.059 20 10 CGCDMO CCC[N@@H+](Cc1ccc(N2CCN(C)CC2)cc1)C(C)C ZINC000848924165 636695857 /nfs/dbraw/zinc/69/58/57/636695857.db2.gz WBTDJCFOGPQDHS-UHFFFAOYSA-N 1 1 289.467 3.059 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccccc2O)CC2(CCCCC2)O1 ZINC000848929549 636699968 /nfs/dbraw/zinc/69/99/68/636699968.db2.gz YBKQGPFBROWHLB-AWEZNQCLSA-N 1 1 275.392 3.316 20 10 CGCDMO CC[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(N(C)C)cc1 ZINC000132138773 636786195 /nfs/dbraw/zinc/78/61/95/636786195.db2.gz SDBYCIVTMMNQPZ-QGZVFWFLSA-N 1 1 291.483 3.381 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccc(F)cc1O ZINC000850495186 637090687 /nfs/dbraw/zinc/09/06/87/637090687.db2.gz XVQXZLIWQMYCHD-ZFWWWQNUSA-N 1 1 294.414 3.445 20 10 CGCDMO C[C@@H]([NH2+]CC1CCC(O)CC1)c1ccc(Cl)cc1O ZINC000850550972 637117568 /nfs/dbraw/zinc/11/75/68/637117568.db2.gz FQJAQJRSRGYEIH-XSRFYTQQSA-N 1 1 283.799 3.247 20 10 CGCDMO C[C@@H]([NH2+]CCc1cccs1)c1c(O)cccc1F ZINC000886489563 637539105 /nfs/dbraw/zinc/53/91/05/637539105.db2.gz LVUDYEREBCPGAP-SNVBAGLBSA-N 1 1 265.353 3.486 20 10 CGCDMO C[C@H](Cc1ccco1)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886496703 637542340 /nfs/dbraw/zinc/54/23/40/637542340.db2.gz DLPUDCWDTAGWMO-GHMZBOCLSA-N 1 1 263.312 3.406 20 10 CGCDMO C[C@H](Cc1ccco1)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886496704 637542394 /nfs/dbraw/zinc/54/23/94/637542394.db2.gz DLPUDCWDTAGWMO-MNOVXSKESA-N 1 1 263.312 3.406 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1c(O)cccc1F ZINC000886498909 637543774 /nfs/dbraw/zinc/54/37/74/637543774.db2.gz UPVFFRUWXFGNJU-MEBBXXQBSA-N 1 1 293.313 3.055 20 10 CGCDMO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1c(O)cccc1F ZINC000886498910 637543870 /nfs/dbraw/zinc/54/38/70/637543870.db2.gz UPVFFRUWXFGNJU-ZUZCIYMTSA-N 1 1 293.313 3.055 20 10 CGCDMO C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886516801 637548649 /nfs/dbraw/zinc/54/86/49/637548649.db2.gz YUABHCHQDLUCDE-BDAKNGLRSA-N 1 1 295.276 3.149 20 10 CGCDMO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886532888 637558902 /nfs/dbraw/zinc/55/89/02/637558902.db2.gz QGWQRQIASYBCDX-QWRGUYRKSA-N 1 1 269.360 3.386 20 10 CGCDMO CCCC[N@@H+](CCOC(F)F)Cc1ccccc1O ZINC000852017920 637571947 /nfs/dbraw/zinc/57/19/47/637571947.db2.gz GXTUGQIMFANKKS-UHFFFAOYSA-N 1 1 273.323 3.234 20 10 CGCDMO C[C@@H]([NH2+]CC[C@H]1CCCCO1)c1c(O)cccc1F ZINC000886587584 637593548 /nfs/dbraw/zinc/59/35/48/637593548.db2.gz BGILCXFVTHGFEY-VXGBXAGGSA-N 1 1 267.344 3.141 20 10 CGCDMO CCOC[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)C(C)C ZINC000886599001 637598806 /nfs/dbraw/zinc/59/88/06/637598806.db2.gz OVWAITTXYCCYKJ-WCQYABFASA-N 1 1 269.360 3.243 20 10 CGCDMO C[C@@H]([NH2+]CCC1(F)CCC1)c1c(O)cccc1F ZINC000886609187 637603827 /nfs/dbraw/zinc/60/38/27/637603827.db2.gz NTJMFJFOMMBYDK-SNVBAGLBSA-N 1 1 255.308 3.464 20 10 CGCDMO CS[C@H]1C[C@H]([NH2+][C@H](C)c2c(O)cccc2F)C1 ZINC000886646252 637625333 /nfs/dbraw/zinc/62/53/33/637625333.db2.gz CUSOIYQFGHJVIW-OPRDCNLKSA-N 1 1 255.358 3.076 20 10 CGCDMO COc1ccc(OC)c(C[N@@H+](C)Cc2ccccc2O)c1 ZINC000111235296 637804111 /nfs/dbraw/zinc/80/41/11/637804111.db2.gz ZYNYFUDBQFKQPP-UHFFFAOYSA-N 1 1 287.359 3.041 20 10 CGCDMO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000300421807 637838254 /nfs/dbraw/zinc/83/82/54/637838254.db2.gz IZJJGFALCQGCCC-UTUOFQBUSA-N 1 1 251.345 3.398 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](CCF)C1)CCC2 ZINC000853563995 637867808 /nfs/dbraw/zinc/86/78/08/637867808.db2.gz HSFCGGOZIFMXSB-ZDUSSCGKSA-N 1 1 277.383 3.453 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1ccc(F)cc1O ZINC000854226110 638027770 /nfs/dbraw/zinc/02/77/70/638027770.db2.gz NXAOAAJYGKXNHG-QLJPJBMISA-N 1 1 286.350 3.452 20 10 CGCDMO Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(C)ccc3O)C2)nc1 ZINC000858011415 638617723 /nfs/dbraw/zinc/61/77/23/638617723.db2.gz NQJVMGUYSQLBQK-INIZCTEOSA-N 1 1 298.386 3.057 20 10 CGCDMO C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1cccnc1 ZINC000858088134 638622893 /nfs/dbraw/zinc/62/28/93/638622893.db2.gz RNJWSBBLAVMISF-LLVKDONJSA-N 1 1 291.345 3.277 20 10 CGCDMO CN1CC[C@@H]([NH2+]CCCSc2nccs2)CC1(C)C ZINC000858141323 638640547 /nfs/dbraw/zinc/64/05/47/638640547.db2.gz NNHHGIUKMCZLLJ-GFCCVEGCSA-N 1 1 299.509 3.088 20 10 CGCDMO Cc1nc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000041010568 639898792 /nfs/dbraw/zinc/89/87/92/639898792.db2.gz DTFOGCRIJDTCQB-NSHDSACASA-N 1 1 275.421 3.368 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cncnc1 ZINC000155244320 639925345 /nfs/dbraw/zinc/92/53/45/639925345.db2.gz NMZZFFOIOAHNBU-UHFFFAOYSA-N 1 1 296.418 3.099 20 10 CGCDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)Cc1ccccc1O ZINC000192102812 640348522 /nfs/dbraw/zinc/34/85/22/640348522.db2.gz PODUXDWJHQGJSA-UHFFFAOYSA-N 1 1 270.307 3.035 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000091899969 640726450 /nfs/dbraw/zinc/72/64/50/640726450.db2.gz BFGWBDVZAKTZNT-AEFFLSMTSA-N 1 1 290.451 3.126 20 10 CGCDMO CCOc1cccc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c1O ZINC000092540701 640738566 /nfs/dbraw/zinc/73/85/66/640738566.db2.gz GEDNQJNFILWEHG-TXEJJXNPSA-N 1 1 281.421 3.117 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@@H](N3CCCC3)C2)c1 ZINC000092785802 640745879 /nfs/dbraw/zinc/74/58/79/640745879.db2.gz IITHZLTYCOJQNI-QGZVFWFLSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1ccc(O)c(CN2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000092785802 640745882 /nfs/dbraw/zinc/74/58/82/640745882.db2.gz IITHZLTYCOJQNI-QGZVFWFLSA-N 1 1 288.435 3.151 20 10 CGCDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(C)ccc1O ZINC000093688123 640779990 /nfs/dbraw/zinc/77/99/90/640779990.db2.gz DPBRASALQDRHRQ-GOSISDBHSA-N 1 1 299.414 3.474 20 10 CGCDMO COc1cccc(C[N@@H+](C)[C@@H]2C[C@@](C)(OC)C2(C)C)c1O ZINC000093871834 640784283 /nfs/dbraw/zinc/78/42/83/640784283.db2.gz RYPVKTRKERSEQE-RHSMWYFYSA-N 1 1 293.407 3.036 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCS[C@H](C(C)C)C2)c1 ZINC000093869309 640784541 /nfs/dbraw/zinc/78/45/41/640784541.db2.gz JMMHNZHLUJMLQI-INIZCTEOSA-N 1 1 295.448 3.364 20 10 CGCDMO Oc1cc(O)c(CCNc2[nH+]ccc3ccccc32)cc1O ZINC001157239486 805793755 /nfs/dbraw/zinc/79/37/55/805793755.db2.gz DRKGUFRUMATCGW-UHFFFAOYSA-N 1 1 296.326 3.006 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)c1O ZINC000132374748 799030535 /nfs/dbraw/zinc/03/05/35/799030535.db2.gz YEDOJHPOOKVNGV-UONOGXRCSA-N 1 1 275.392 3.413 20 10 CGCDMO CCOc1cccc(C[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c1O ZINC000399625459 799539308 /nfs/dbraw/zinc/53/93/08/799539308.db2.gz SOEAILJQPCQSSJ-AVGNSLFASA-N 1 1 263.381 3.267 20 10 CGCDMO COc1cccc(C[N@@H+](C)CCC(C)(C)C)c1O ZINC000399681464 799540776 /nfs/dbraw/zinc/54/07/76/799540776.db2.gz QTGCFIOMZLAILV-UHFFFAOYSA-N 1 1 251.370 3.269 20 10 CGCDMO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cccc(C)c1O ZINC000403821207 799572299 /nfs/dbraw/zinc/57/22/99/799572299.db2.gz LSMROZWTCFANMS-AWEZNQCLSA-N 1 1 263.381 3.090 20 10 CGCDMO COC(C)(C)C[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000404306594 799575730 /nfs/dbraw/zinc/57/57/30/799575730.db2.gz KEECJAYMZIMEDX-UHFFFAOYSA-N 1 1 299.798 3.105 20 10 CGCDMO CCc1cccc(C[NH2+][C@@H]2CCCC2(F)F)c1O ZINC000691479764 799785445 /nfs/dbraw/zinc/78/54/45/799785445.db2.gz HQULVIIKNHXKQD-GFCCVEGCSA-N 1 1 255.308 3.232 20 10 CGCDMO COc1cccc(C[N@H+]2CCCC(F)(F)CC2)c1O ZINC000702767306 799912663 /nfs/dbraw/zinc/91/26/63/799912663.db2.gz IXGKHKRCOKRHMN-UHFFFAOYSA-N 1 1 271.307 3.022 20 10 CGCDMO CCCO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000706503049 799963160 /nfs/dbraw/zinc/96/31/60/799963160.db2.gz BBVAZOASTZJCMH-CYBMUJFWSA-N 1 1 299.798 3.055 20 10 CGCDMO CC(C)(C)[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000709000167 800001757 /nfs/dbraw/zinc/00/17/57/800001757.db2.gz KUEYYCQKQBJGMD-CQSZACIVSA-N 1 1 283.799 3.293 20 10 CGCDMO CC(C)(C)[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000709000167 800001759 /nfs/dbraw/zinc/00/17/59/800001759.db2.gz KUEYYCQKQBJGMD-CQSZACIVSA-N 1 1 283.799 3.293 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC001256015076 806805841 /nfs/dbraw/zinc/80/58/41/806805841.db2.gz CHVPDQCWRZPQQC-WMZOPIPTSA-N 1 1 288.435 3.144 20 10 CGCDMO C[C@@H]([NH2+]CC[C@H]1CC(C)(C)CO1)c1ccc(F)cc1O ZINC000717274613 800199413 /nfs/dbraw/zinc/19/94/13/800199413.db2.gz SAMUZXVHLVROTG-YPMHNXCESA-N 1 1 281.371 3.387 20 10 CGCDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001116442932 802349092 /nfs/dbraw/zinc/34/90/92/802349092.db2.gz YHYIYVDYNVGZDI-QGZVFWFLSA-N 1 1 288.435 3.145 20 10 CGCDMO Nc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1 ZINC001120371447 802742678 /nfs/dbraw/zinc/74/26/78/802742678.db2.gz GDLULIAWERUTCA-WBVHZDCISA-N 1 1 274.408 3.050 20 10 CGCDMO [O-]c1cccc(F)c1C[N@H+]1CC[C@H]1c1ccccc1 ZINC001137839119 803780966 /nfs/dbraw/zinc/78/09/66/803780966.db2.gz RRVMEKWBPBPGFH-HNNXBMFYSA-N 1 1 257.308 3.478 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC001137839119 803780973 /nfs/dbraw/zinc/78/09/73/803780973.db2.gz RRVMEKWBPBPGFH-HNNXBMFYSA-N 1 1 257.308 3.478 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1CC[C@H]1c1ccccc1 ZINC001137839119 803780979 /nfs/dbraw/zinc/78/09/79/803780979.db2.gz RRVMEKWBPBPGFH-HNNXBMFYSA-N 1 1 257.308 3.478 20 10 CGCDMO Cc1ccc2c(c1)C[N@@H+](Cc1cccc(F)c1O)CC2 ZINC001138122418 803860969 /nfs/dbraw/zinc/86/09/69/803860969.db2.gz CVPXPIUCRISCPY-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO Cc1ccc2c(c1)C[N@H+](Cc1cccc(F)c1O)CC2 ZINC001138122418 803860979 /nfs/dbraw/zinc/86/09/79/803860979.db2.gz CVPXPIUCRISCPY-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO CC[N@H+]1CCN(Cc2c(C)n(C)c3ccccc32)C(C)(C)C1 ZINC001138259839 803885470 /nfs/dbraw/zinc/88/54/70/803885470.db2.gz OWSOHJHCUVRSHH-UHFFFAOYSA-N 1 1 299.462 3.403 20 10 CGCDMO CCN1CC[N@H+](Cc2c(C)n(C)c3ccccc32)C(C)(C)C1 ZINC001138259839 803885479 /nfs/dbraw/zinc/88/54/79/803885479.db2.gz OWSOHJHCUVRSHH-UHFFFAOYSA-N 1 1 299.462 3.403 20 10 CGCDMO CCN1CC[N@@H+](Cc2c(C)n(C)c3ccccc32)C(C)(C)C1 ZINC001138259839 803885487 /nfs/dbraw/zinc/88/54/87/803885487.db2.gz OWSOHJHCUVRSHH-UHFFFAOYSA-N 1 1 299.462 3.403 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CCC[C@H](CF)C3)ccc21 ZINC001138357824 803902490 /nfs/dbraw/zinc/90/24/90/803902490.db2.gz LVMYZEIMCKLHPJ-OAHLLOKOSA-N 1 1 276.399 3.251 20 10 CGCDMO CC[C@@H]1CC(NCc2ccc(N(C)C)cc2)C[C@@H](CC)[NH2+]1 ZINC001246304918 804269913 /nfs/dbraw/zinc/26/99/13/804269913.db2.gz BXPZNXCOZBNEOQ-HZPDHXFCSA-N 1 1 289.467 3.151 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001140055099 804364140 /nfs/dbraw/zinc/36/41/40/804364140.db2.gz IPJXOHVTXLFOOR-SECBINFHSA-N 1 1 259.271 3.008 20 10 CGCDMO Cc1ccc(C)c(CN2CCC([NH+]3CCCC3)CC2)c1O ZINC001140181629 804396670 /nfs/dbraw/zinc/39/66/70/804396670.db2.gz YCPUSCKUUJUDDL-UHFFFAOYSA-N 1 1 288.435 3.069 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001140465578 804443030 /nfs/dbraw/zinc/44/30/30/804443030.db2.gz NWUSMIWOXVZKHN-UHFFFAOYSA-N 1 1 289.762 3.310 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1 ZINC001140619777 804476953 /nfs/dbraw/zinc/47/69/53/804476953.db2.gz OGZIHSDBWHPJGG-BETUJISGSA-N 1 1 267.319 3.178 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](Oc3ccncc3)C2)c1 ZINC001140624528 804477683 /nfs/dbraw/zinc/47/76/83/804477683.db2.gz ZWTFGCUSMLFODL-KRWDZBQOSA-N 1 1 298.386 3.139 20 10 CGCDMO Cc1ccc2c(c1)C[N@H+](Cc1ccc(O)c(C)c1O)CC2 ZINC001140742517 804503480 /nfs/dbraw/zinc/50/34/80/804503480.db2.gz QPJIBDQRVBYOPP-UHFFFAOYSA-N 1 1 283.371 3.273 20 10 CGCDMO Cc1c(O)ccc(C[N@@H+](C)Cc2ccccc2F)c1O ZINC001140745311 804503701 /nfs/dbraw/zinc/50/37/01/804503701.db2.gz FGCMFXGUKRHBCV-UHFFFAOYSA-N 1 1 275.323 3.177 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CCc3ccc(F)cc3C2)c1O ZINC001140748742 804504092 /nfs/dbraw/zinc/50/40/92/804504092.db2.gz JGAVAMRQEFGPNF-UHFFFAOYSA-N 1 1 287.334 3.104 20 10 CGCDMO Cc1c(O)ccc(C[N@@H+]2Cc3ccc(F)cc3C2)c1O ZINC001140749214 804505314 /nfs/dbraw/zinc/50/53/14/804505314.db2.gz RREYYDSWJLZFCT-UHFFFAOYSA-N 1 1 273.307 3.061 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2Cc3ccc(F)cc3C2)c1O ZINC001140749214 804505320 /nfs/dbraw/zinc/50/53/20/804505320.db2.gz RREYYDSWJLZFCT-UHFFFAOYSA-N 1 1 273.307 3.061 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@](C)(O)C2)c(Cl)c1 ZINC001140921550 804549005 /nfs/dbraw/zinc/54/90/05/804549005.db2.gz HNLLVWLFUCHBBB-MRXNPFEDSA-N 1 1 296.842 3.143 20 10 CGCDMO Cc1ccc(C[N@@H+](C)Cc2cccc(F)c2)c(O)c1 ZINC001140948170 804556428 /nfs/dbraw/zinc/55/64/28/804556428.db2.gz WGBWEONIIIXAJD-UHFFFAOYSA-N 1 1 259.324 3.472 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2)c(O)c1 ZINC001140950757 804557982 /nfs/dbraw/zinc/55/79/82/804557982.db2.gz GXGYMSTZOIBTOJ-NSHDSACASA-N 1 1 259.271 3.085 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H]3CCC[C@H]32)c(OC)c1 ZINC001141029174 804574952 /nfs/dbraw/zinc/57/49/52/804574952.db2.gz LEOWCPZCJWFOKC-IUODEOHRSA-N 1 1 291.391 3.174 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC001141160027 804599986 /nfs/dbraw/zinc/59/99/86/804599986.db2.gz PKIYAPZARHIDMO-HNNXBMFYSA-N 1 1 283.371 3.162 20 10 CGCDMO COc1ccccc1[C@H](C)[N@@H+](C)Cc1cc(O)ccc1O ZINC001141161794 804601450 /nfs/dbraw/zinc/60/14/50/804601450.db2.gz YMVJCANBXVYMND-LBPRGKRZSA-N 1 1 287.359 3.299 20 10 CGCDMO CC[N@@H+](CCOC)Cc1cccc(C(C)(C)C)c1O ZINC001143104095 804801135 /nfs/dbraw/zinc/80/11/35/804801135.db2.gz PJDZAYYYHXINBD-UHFFFAOYSA-N 1 1 265.397 3.158 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)CCC1=O ZINC001143103635 804802277 /nfs/dbraw/zinc/80/22/77/804802277.db2.gz IDLOGDCMQYZNMI-GFCCVEGCSA-N 1 1 275.392 3.101 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)CCC1=O ZINC001143103635 804802285 /nfs/dbraw/zinc/80/22/85/804802285.db2.gz IDLOGDCMQYZNMI-GFCCVEGCSA-N 1 1 275.392 3.101 20 10 CGCDMO CCC[N@@H+](Cc1ccc(CC(=O)OC)cc1O)[C@H](C)CC ZINC001249171509 805104375 /nfs/dbraw/zinc/10/43/75/805104375.db2.gz CTLCTFPMOSVDEA-CYBMUJFWSA-N 1 1 293.407 3.118 20 10 CGCDMO COc1cc(F)c(C)cc1C[N@@H+](C)Cc1ccccc1O ZINC001250113624 805424051 /nfs/dbraw/zinc/42/40/51/805424051.db2.gz QFASCZGKMVOXGS-UHFFFAOYSA-N 1 1 289.350 3.480 20 10 CGCDMO [O-]c1cccc(Cl)c1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001261483548 807748435 /nfs/dbraw/zinc/74/84/35/807748435.db2.gz WMYVGISJVUCFIM-UHFFFAOYSA-N 1 1 294.826 3.011 20 10 CGCDMO [O-]c1cccc(Cl)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001261483548 807748439 /nfs/dbraw/zinc/74/84/39/807748439.db2.gz WMYVGISJVUCFIM-UHFFFAOYSA-N 1 1 294.826 3.011 20 10 CGCDMO COc1cccc(O)c1Nc1cc[nH+]c2ccccc12 ZINC001174040108 808837979 /nfs/dbraw/zinc/83/79/79/808837979.db2.gz SGGPAQDOQOOORO-UHFFFAOYSA-N 1 1 266.300 3.115 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC001181870251 810077088 /nfs/dbraw/zinc/07/70/88/810077088.db2.gz MQXNLMSCICHNNG-MLGOLLRUSA-N 1 1 279.330 3.291 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC001181870251 810077094 /nfs/dbraw/zinc/07/70/94/810077094.db2.gz MQXNLMSCICHNNG-MLGOLLRUSA-N 1 1 279.330 3.291 20 10 CGCDMO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1ccc(Cl)cc1O ZINC001183884941 810167107 /nfs/dbraw/zinc/16/71/07/810167107.db2.gz BENPQJAKQLOTAX-WRSRJMLGSA-N 1 1 251.757 3.180 20 10 CGCDMO CCCOc1ccc(CNC[C@@H]2CCC[N@@H+]2CC)cc1C ZINC001198907743 811552185 /nfs/dbraw/zinc/55/21/85/811552185.db2.gz FWOJLKNAKNQICO-KRWDZBQOSA-N 1 1 290.451 3.358 20 10 CGCDMO CCCOc1ccc(CNC[C@@H]2CCC[N@H+]2CC)cc1C ZINC001198907743 811552188 /nfs/dbraw/zinc/55/21/88/811552188.db2.gz FWOJLKNAKNQICO-KRWDZBQOSA-N 1 1 290.451 3.358 20 10 CGCDMO Cc1cncc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001203170705 812260319 /nfs/dbraw/zinc/26/03/19/812260319.db2.gz NWGAXYDJMZGAJA-UHFFFAOYSA-N 1 1 296.418 3.017 20 10 CGCDMO Cc1cncc(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001203170705 812260325 /nfs/dbraw/zinc/26/03/25/812260325.db2.gz NWGAXYDJMZGAJA-UHFFFAOYSA-N 1 1 296.418 3.017 20 10 CGCDMO COc1cccc(C[N@H+](C)Cc2cnc(Cl)s2)c1O ZINC001203584633 812400659 /nfs/dbraw/zinc/40/06/59/812400659.db2.gz FEYVXYLZGBRREQ-UHFFFAOYSA-N 1 1 298.795 3.143 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2cnc(Cl)s2)c1O ZINC001203584633 812400666 /nfs/dbraw/zinc/40/06/66/812400666.db2.gz FEYVXYLZGBRREQ-UHFFFAOYSA-N 1 1 298.795 3.143 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@H](C)[C@@H](C)C2)c1O ZINC001203586106 812401212 /nfs/dbraw/zinc/40/12/12/812401212.db2.gz YLXWDSGRWNNSAI-STQMWFEESA-N 1 1 263.381 3.269 20 10 CGCDMO Cc1cnc2c(c1)C[N@@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001203664541 812422842 /nfs/dbraw/zinc/42/28/42/812422842.db2.gz JSMRXSGRPFDCAO-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1cnc2c(c1)C[N@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001203664541 812422845 /nfs/dbraw/zinc/42/28/45/812422845.db2.gz JSMRXSGRPFDCAO-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO CCC[N@@H+](Cc1cc(OC)ccc1O)[C@H](C)CC ZINC001203665893 812423119 /nfs/dbraw/zinc/42/31/19/812423119.db2.gz ZYRLNVRSVJLOHK-GFCCVEGCSA-N 1 1 251.370 3.411 20 10 CGCDMO CC[N@@H+](Cc1cccs1)Cc1ccc(O)c(O)c1 ZINC001203879183 812478039 /nfs/dbraw/zinc/47/80/39/812478039.db2.gz GTUAWCPWTDSXOG-UHFFFAOYSA-N 1 1 263.362 3.181 20 10 CGCDMO Cc1ccc(CC[N@H+](C)Cc2ccc(O)c(O)c2)cc1 ZINC001203882734 812479925 /nfs/dbraw/zinc/47/99/25/812479925.db2.gz SVFXDBLYBLVUHZ-UHFFFAOYSA-N 1 1 271.360 3.081 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@@H]2Cc3ccccc3O2)cc1 ZINC001203937306 812497206 /nfs/dbraw/zinc/49/72/06/812497206.db2.gz UMASMLSZPJXELY-SFHVURJKSA-N 1 1 296.414 3.188 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC23COC3)c2ccccc21 ZINC001204241331 812583424 /nfs/dbraw/zinc/58/34/24/812583424.db2.gz FIFNLLYUOSBEAD-UHFFFAOYSA-N 1 1 296.414 3.271 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CC[C@H](O)CC1 ZINC001204326325 812614894 /nfs/dbraw/zinc/61/48/94/812614894.db2.gz XBLOYQXDTMKFMR-SAABIXHNSA-N 1 1 288.435 3.022 20 10 CGCDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001205178583 812900381 /nfs/dbraw/zinc/90/03/81/812900381.db2.gz XCJIOPMNUNMOGU-WWJLMDQWSA-N 1 1 288.435 3.265 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c1 ZINC001205341019 812962870 /nfs/dbraw/zinc/96/28/70/812962870.db2.gz RIEXXEDTXHQLDX-ZFWWWQNUSA-N 1 1 277.408 3.108 20 10 CGCDMO Oc1ccc(F)cc1C[NH2+][C@@H]1COc2cc(F)cc(F)c21 ZINC001205394593 812977737 /nfs/dbraw/zinc/97/77/37/812977737.db2.gz UCWRKIBSGPXIFM-GFCCVEGCSA-N 1 1 295.260 3.033 20 10 CGCDMO CSC1(C[NH2+]Cc2cc(F)c(F)cc2O)CCC1 ZINC001205541225 812997813 /nfs/dbraw/zinc/99/78/13/812997813.db2.gz OVMNKJQAVIMPJD-UHFFFAOYSA-N 1 1 273.348 3.046 20 10 CGCDMO CCc1cccc(C[N@H+]2C[C@@H](C)OC3(CCCC3)C2)c1O ZINC001206544852 813346159 /nfs/dbraw/zinc/34/61/59/813346159.db2.gz OYAMISBWGROMCM-CQSZACIVSA-N 1 1 289.419 3.488 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001206645758 813384796 /nfs/dbraw/zinc/38/47/96/813384796.db2.gz NLZHUCKMIBWSQO-KXUCPTDWSA-N 1 1 289.272 3.194 20 10 CGCDMO CC[N@@H+](Cc1cncc(C)c1)Cc1ccccc1O ZINC001207162416 813501537 /nfs/dbraw/zinc/50/15/37/813501537.db2.gz JRBXRXQGWSNHGR-UHFFFAOYSA-N 1 1 256.349 3.118 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@@H]1CCOC(C)(C)C1 ZINC001207362741 813551620 /nfs/dbraw/zinc/55/16/20/813551620.db2.gz JRYWDAXUFAVBGZ-CYBMUJFWSA-N 1 1 263.381 3.029 20 10 CGCDMO Oc1cccc2c1C[N@@H+](CCc1ccccc1F)CC2 ZINC001207504386 813580448 /nfs/dbraw/zinc/58/04/48/813580448.db2.gz MLDOMSVRPWGRIL-UHFFFAOYSA-N 1 1 271.335 3.132 20 10 CGCDMO Nc1ccc(CO[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001217822554 815970723 /nfs/dbraw/zinc/97/07/23/815970723.db2.gz FPDWBPIOVPSHNW-IBGZPJMESA-N 1 1 296.414 3.450 20 10 CGCDMO O=C1C=CC(=N[N-]c2cccc[nH+]2)C(O[C@@H]2CCC[NH2+]C2)=C1 ZINC001218282918 816151905 /nfs/dbraw/zinc/15/19/05/816151905.db2.gz FLZWQNBOMNTILR-ZIPFOMIPSA-N 1 1 298.346 3.333 20 10 CGCDMO CCC[N@@H+](CCOC)Cc1c(O)ccc2ccccc21 ZINC001231587633 818129418 /nfs/dbraw/zinc/12/94/18/818129418.db2.gz GCAQLBKDUJSNIP-UHFFFAOYSA-N 1 1 273.376 3.404 20 10 CGCDMO Cc1cccc(C[N@H+]2CCCC[C@@H]2CN2CCCC2)c1O ZINC001231592337 818131362 /nfs/dbraw/zinc/13/13/62/818131362.db2.gz KJPOZSZQNZFRIC-QGZVFWFLSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1cccc(CN2CCCC[C@@H]2C[NH+]2CCCC2)c1O ZINC001231592337 818131364 /nfs/dbraw/zinc/13/13/64/818131364.db2.gz KJPOZSZQNZFRIC-QGZVFWFLSA-N 1 1 288.435 3.151 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@H]2c2ccccc2)c(O)cc1O ZINC001231635421 818143842 /nfs/dbraw/zinc/14/38/42/818143842.db2.gz IKDCEKISQWCIRO-HNNXBMFYSA-N 1 1 299.370 3.444 20 10 CGCDMO COc1cc(C[N@@H+](Cc2ccccc2)C2CC2)c(O)cc1O ZINC001231638000 818143879 /nfs/dbraw/zinc/14/38/79/818143879.db2.gz VCJRTCNBHVSLAQ-UHFFFAOYSA-N 1 1 299.370 3.271 20 10 CGCDMO COc1cc(C[N@@H+](C)Cc2ccc(C)cc2)c(O)cc1O ZINC001231637071 818144341 /nfs/dbraw/zinc/14/43/41/818144341.db2.gz ZNPPPXFBLVSBSQ-UHFFFAOYSA-N 1 1 287.359 3.047 20 10 CGCDMO C[N@@H+](Cc1ccc(Cl)c(O)c1)Cc1ccccc1O ZINC001231737901 818164046 /nfs/dbraw/zinc/16/40/46/818164046.db2.gz YGBAFTXDXJCJCA-UHFFFAOYSA-N 1 1 277.751 3.383 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@@H+](C)CCc1ccccc1 ZINC001231849270 818188314 /nfs/dbraw/zinc/18/83/14/818188314.db2.gz QQFSTELTCAPPTL-UHFFFAOYSA-N 1 1 298.430 3.436 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@@H+](C)C[C@@H]1CC1(C)C ZINC001231855444 818188729 /nfs/dbraw/zinc/18/87/29/818188729.db2.gz UTVCCFCCYZVCAP-AWEZNQCLSA-N 1 1 276.424 3.239 20 10 CGCDMO CC[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231854214 818189216 /nfs/dbraw/zinc/18/92/16/818189216.db2.gz BXZMDWCJKQFLBU-AWEZNQCLSA-N 1 1 276.424 3.383 20 10 CGCDMO CC[N@H+](Cc1ccccn1)Cc1ccc(N(C)C)cc1OC ZINC001231854487 818189439 /nfs/dbraw/zinc/18/94/39/818189439.db2.gz HQSWKHNHIRFEBH-UHFFFAOYSA-N 1 1 299.418 3.178 20 10 CGCDMO CC[N@@H+](Cc1ccccn1)Cc1ccc(N(C)C)cc1OC ZINC001231854487 818189442 /nfs/dbraw/zinc/18/94/42/818189442.db2.gz HQSWKHNHIRFEBH-UHFFFAOYSA-N 1 1 299.418 3.178 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCC2(CCC2)C1 ZINC001231854815 818189470 /nfs/dbraw/zinc/18/94/70/818189470.db2.gz MFEJYRYVGLOLJM-UHFFFAOYSA-N 1 1 274.408 3.137 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@@H+](CC1CC1)C1CC1 ZINC001231857908 818190138 /nfs/dbraw/zinc/19/01/38/818190138.db2.gz OSZASQQESKOBFL-UHFFFAOYSA-N 1 1 274.408 3.136 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1Cl ZINC001231869825 818193276 /nfs/dbraw/zinc/19/32/76/818193276.db2.gz ZWIGDMSIUOHLAD-WBMJQRKESA-N 1 1 295.810 3.355 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCOC[C@H]2C(C)C)cc1Cl ZINC001231870560 818194210 /nfs/dbraw/zinc/19/42/10/818194210.db2.gz IVEUZROHDABVIQ-AWEZNQCLSA-N 1 1 283.799 3.211 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCOC[C@H]2C(C)C)cc1Cl ZINC001231870560 818194213 /nfs/dbraw/zinc/19/42/13/818194213.db2.gz IVEUZROHDABVIQ-AWEZNQCLSA-N 1 1 283.799 3.211 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)CCC1=O ZINC001231879557 818200128 /nfs/dbraw/zinc/20/01/28/818200128.db2.gz IIHCFDGCOYLIPH-ZDUSSCGKSA-N 1 1 283.371 3.346 20 10 CGCDMO CC[N@@H+](Cc1cn(C)nc1C1CC1)Cc1ccccc1O ZINC001232175349 818271904 /nfs/dbraw/zinc/27/19/04/818271904.db2.gz YNTIQXBBVOMBOM-UHFFFAOYSA-N 1 1 285.391 3.025 20 10 CGCDMO Oc1ccc2[nH]cc(C[N@H+]3CCc4cccc(O)c4C3)c2c1 ZINC001232872223 818459001 /nfs/dbraw/zinc/45/90/01/818459001.db2.gz VGLTWRYKQCDOPH-UHFFFAOYSA-N 1 1 294.354 3.137 20 10 CGCDMO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233286421 818567905 /nfs/dbraw/zinc/56/79/05/818567905.db2.gz TYBNGNJNABMRIC-IUODEOHRSA-N 1 1 277.408 3.035 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@@]3(CCO3)C2)c1 ZINC001233286107 818568424 /nfs/dbraw/zinc/56/84/24/818568424.db2.gz FZCXQDZLJYFQLI-GOSISDBHSA-N 1 1 289.419 3.445 20 10 CGCDMO [O-]c1ccc(F)c(F)c1CN1CCc2cc(F)ccc2C1 ZINC001233335949 818588289 /nfs/dbraw/zinc/58/82/89/818588289.db2.gz SAIQJZOGADPOBX-UHFFFAOYSA-N 1 1 293.288 3.368 20 10 CGCDMO Oc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001233454716 818623766 /nfs/dbraw/zinc/62/37/66/818623766.db2.gz HWCZCYPCGOXQKL-DLOVCJGASA-N 1 1 289.272 3.343 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2cc(O)c(O)cc2O)cc1C ZINC001233487046 818625330 /nfs/dbraw/zinc/62/53/30/818625330.db2.gz MWSKAFKTAAIGIU-UHFFFAOYSA-N 1 1 287.359 3.052 20 10 CGCDMO CCN1CCc2cc(O[C@H]3CCC[N@H+](C(C)C)C3)ccc21 ZINC001233602519 818656043 /nfs/dbraw/zinc/65/60/43/818656043.db2.gz WFKGIPJAQBPHFN-KRWDZBQOSA-N 1 1 288.435 3.321 20 10 CGCDMO CCN1CCc2cc(O[C@@H]3CCC[N@H+](C(C)C)C3)ccc21 ZINC001233602520 818656227 /nfs/dbraw/zinc/65/62/27/818656227.db2.gz WFKGIPJAQBPHFN-QGZVFWFLSA-N 1 1 288.435 3.321 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233727698 818691657 /nfs/dbraw/zinc/69/16/57/818691657.db2.gz OISPRVINVFQEFJ-SECBINFHSA-N 1 1 275.270 3.133 20 10 CGCDMO OC[C@H]1CCC[N@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001235003229 818976580 /nfs/dbraw/zinc/97/65/80/818976580.db2.gz UPCVKYUHPOVOPN-MRXNPFEDSA-N 1 1 283.371 3.016 20 10 CGCDMO CC(C)[C@@H]1CNCC[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001235457391 819104033 /nfs/dbraw/zinc/10/40/33/819104033.db2.gz DDVOERCWFHDUHI-INIZCTEOSA-N 1 1 290.451 3.120 20 10 CGCDMO CC(C)[C@@H]1CNCC[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001235457391 819104037 /nfs/dbraw/zinc/10/40/37/819104037.db2.gz DDVOERCWFHDUHI-INIZCTEOSA-N 1 1 290.451 3.120 20 10 CGCDMO CN(C)[C@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235686233 819142366 /nfs/dbraw/zinc/14/23/66/819142366.db2.gz YZNWQSPZRTYBKE-INIZCTEOSA-N 1 1 290.451 3.216 20 10 CGCDMO CN(C)[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235686233 819142371 /nfs/dbraw/zinc/14/23/71/819142371.db2.gz YZNWQSPZRTYBKE-INIZCTEOSA-N 1 1 290.451 3.216 20 10 CGCDMO CN(C)[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235686234 819142516 /nfs/dbraw/zinc/14/25/16/819142516.db2.gz YZNWQSPZRTYBKE-MRXNPFEDSA-N 1 1 290.451 3.216 20 10 CGCDMO CN(C)[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235686234 819142519 /nfs/dbraw/zinc/14/25/19/819142519.db2.gz YZNWQSPZRTYBKE-MRXNPFEDSA-N 1 1 290.451 3.216 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(F)c(O)c2)cc1 ZINC001236709505 819579236 /nfs/dbraw/zinc/57/92/36/819579236.db2.gz ZKUHWTYPUOAVQU-UHFFFAOYSA-N 1 1 288.366 3.229 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCCC[C@](C)(F)C2)cc1OC ZINC001236749518 819590348 /nfs/dbraw/zinc/59/03/48/819590348.db2.gz JEQAKRXOTLDOHF-INIZCTEOSA-N 1 1 297.370 3.124 20 10 CGCDMO CCC[N@H+](CCCN(C)C)Cc1ccc(CC)cc1O ZINC001236786387 819595586 /nfs/dbraw/zinc/59/55/86/819595586.db2.gz BNRFSMVKXYQFJB-UHFFFAOYSA-N 1 1 278.440 3.118 20 10 CGCDMO CCC[N@@H+](CCCN(C)C)Cc1ccc(CC)cc1O ZINC001236786387 819595588 /nfs/dbraw/zinc/59/55/88/819595588.db2.gz BNRFSMVKXYQFJB-UHFFFAOYSA-N 1 1 278.440 3.118 20 10 CGCDMO Oc1cc(Cl)c(Cl)cc1C[N@H+]1CCC[C@@H](O)CC1 ZINC001236793117 819597678 /nfs/dbraw/zinc/59/76/78/819597678.db2.gz HVSTZOAVJUNWRQ-SNVBAGLBSA-N 1 1 290.190 3.046 20 10 CGCDMO Oc1cc(Cl)c(Cl)cc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC001236793117 819597682 /nfs/dbraw/zinc/59/76/82/819597682.db2.gz HVSTZOAVJUNWRQ-SNVBAGLBSA-N 1 1 290.190 3.046 20 10 CGCDMO COc1ccc(C[N@@H+]2CCC[C@@H](C)C2)c(O)c1Cl ZINC001236806675 819602736 /nfs/dbraw/zinc/60/27/36/819602736.db2.gz YXLHXEIHLMMSJK-SNVBAGLBSA-N 1 1 269.772 3.286 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@@H](C)C2)c(O)c1Cl ZINC001236806675 819602742 /nfs/dbraw/zinc/60/27/42/819602742.db2.gz YXLHXEIHLMMSJK-SNVBAGLBSA-N 1 1 269.772 3.286 20 10 CGCDMO CC[N@@H+](Cc1cc2ccccc2cc1O)CC(C)(C)O ZINC001236834315 819613941 /nfs/dbraw/zinc/61/39/41/819613941.db2.gz WDDYJEMWSXEKOG-UHFFFAOYSA-N 1 1 273.376 3.138 20 10 CGCDMO CC(C)N1CC[N@@H+](Cc2cc3ccccc3cc2O)C[C@@H]1C ZINC001236836157 819615387 /nfs/dbraw/zinc/61/53/87/819615387.db2.gz YNRXLKFJBGBALV-HNNXBMFYSA-N 1 1 298.430 3.460 20 10 CGCDMO CC(C)[N@@H+]1CCN(Cc2cc3ccccc3cc2O)C[C@@H]1C ZINC001236836157 819615392 /nfs/dbraw/zinc/61/53/92/819615392.db2.gz YNRXLKFJBGBALV-HNNXBMFYSA-N 1 1 298.430 3.460 20 10 CGCDMO CC(C)[N@H+]1CCN(Cc2cc3ccccc3cc2O)C[C@@H]1C ZINC001236836157 819615396 /nfs/dbraw/zinc/61/53/96/819615396.db2.gz YNRXLKFJBGBALV-HNNXBMFYSA-N 1 1 298.430 3.460 20 10 CGCDMO Oc1cc2ccccc2cc1C[NH+]1CCN(CC2CC2)CC1 ZINC001236841876 819618595 /nfs/dbraw/zinc/61/85/95/819618595.db2.gz PZWPMSCZPRTBMF-UHFFFAOYSA-N 1 1 296.414 3.073 20 10 CGCDMO CCC[N@@H+](CC)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236928104 819638595 /nfs/dbraw/zinc/63/85/95/819638595.db2.gz HUBPKQVQZQITRA-UHFFFAOYSA-N 1 1 296.842 3.409 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2C[C@@H](CO)CC[C@@H]2C)c(O)c1 ZINC001237044416 819650422 /nfs/dbraw/zinc/65/04/22/819650422.db2.gz CSPWCAVZNIYEHS-KBPBESRZSA-N 1 1 277.408 3.108 20 10 CGCDMO CC(C)c1ccc(C[NH+]2CC3(C2)CCCCO3)c(O)c1 ZINC001237052703 819652380 /nfs/dbraw/zinc/65/23/80/819652380.db2.gz YPLSYSNSLAGOFX-UHFFFAOYSA-N 1 1 275.392 3.271 20 10 CGCDMO Oc1ccc(F)c(Cl)c1C[N@H+]1CCC[C@H](CF)C1 ZINC001237126386 819673320 /nfs/dbraw/zinc/67/33/20/819673320.db2.gz JVVLKMSVULBPFD-SECBINFHSA-N 1 1 275.726 3.366 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237138914 819676523 /nfs/dbraw/zinc/67/65/23/819676523.db2.gz ZXPZLGXHIKEVSP-VIFPVBQESA-N 1 1 259.271 3.253 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+](C)Cc1cccnc1C ZINC001237493409 819763807 /nfs/dbraw/zinc/76/38/07/819763807.db2.gz YEJVBQVBJWFFEO-UHFFFAOYSA-N 1 1 256.349 3.036 20 10 CGCDMO COc1cc(C[N@H+]2Cc3cccc(C)c3C2)c(O)c(OC)c1 ZINC001237675393 819804536 /nfs/dbraw/zinc/80/45/36/819804536.db2.gz WZQGZLDGCYJGHP-UHFFFAOYSA-N 1 1 299.370 3.234 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2C)c(O)c(OC)c1 ZINC001237676540 819804714 /nfs/dbraw/zinc/80/47/14/819804714.db2.gz PQABHDJFJFGXCW-RYUDHWBXSA-N 1 1 279.380 3.030 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CCc3c(O)cccc3C2)c1O ZINC001238055667 819919417 /nfs/dbraw/zinc/91/94/17/819919417.db2.gz BPRACEVNRFEQHV-UHFFFAOYSA-N 1 1 287.334 3.104 20 10 CGCDMO Cc1[nH+]ccn1-c1cncc(-c2cccc3c2ccn3C)n1 ZINC001241820431 822162114 /nfs/dbraw/zinc/16/21/14/822162114.db2.gz DIJDKPJXVPBHOB-UHFFFAOYSA-N 1 1 289.342 3.129 20 10 CGCDMO Cc1cc(N)[nH+]cc1-c1cc(N(C)c2ccccc2)ncn1 ZINC001242078078 822338251 /nfs/dbraw/zinc/33/82/51/822338251.db2.gz RCZFTNNXQCWXKG-UHFFFAOYSA-N 1 1 291.358 3.197 20 10 CGCDMO CCCCC[N@@H+](CCO)Cc1ccc(N2CCCC2)cc1 ZINC001341523228 936440625 /nfs/dbraw/zinc/44/06/25/936440625.db2.gz JPXXERMTRLDBQE-UHFFFAOYSA-N 1 1 290.451 3.271 20 10 CGCDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(N)cc2)n1 ZINC001345159067 936804596 /nfs/dbraw/zinc/80/45/96/936804596.db2.gz AFDYIOVRMDEADT-QGZVFWFLSA-N 1 1 267.376 3.309 20 10 CGCDMO C[C@@H]1CCC(C)(C)[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001473544430 937200034 /nfs/dbraw/zinc/20/00/34/937200034.db2.gz WVNMLLPLVYZSNN-OAHLLOKOSA-N 1 1 288.435 3.286 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+](C)Cc2ccccn2)c1O ZINC001140178820 931956997 /nfs/dbraw/zinc/95/69/97/931956997.db2.gz YOKTYLCGMNIVHI-UHFFFAOYSA-N 1 1 256.349 3.036 20 10 CGCDMO C[C@@H](C[NH2+]Cc1cc(F)c(F)cc1O)c1nccs1 ZINC001462062310 937615700 /nfs/dbraw/zinc/61/57/00/937615700.db2.gz GBXAQANFHKEVFD-QMMMGPOBSA-N 1 1 284.331 3.020 20 10 CGCDMO CC[C@@]1(C)C[N@H+](Cc2c(O)cc(C)cc2Cl)CCO1 ZINC001462091846 937617681 /nfs/dbraw/zinc/61/76/81/937617681.db2.gz DJXKVDUBYISBQB-HNNXBMFYSA-N 1 1 283.799 3.355 20 10 CGCDMO CC[C@@]1(C)C[N@@H+](Cc2c(O)cc(C)cc2Cl)CCO1 ZINC001462091846 937617682 /nfs/dbraw/zinc/61/76/82/937617682.db2.gz DJXKVDUBYISBQB-HNNXBMFYSA-N 1 1 283.799 3.355 20 10 CGCDMO CC[C@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC001308585497 933138549 /nfs/dbraw/zinc/13/85/49/933138549.db2.gz ZXYKLFVLCWPLEY-NFAHFFEMSA-N 1 1 258.409 3.498 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c(O)c1 ZINC001308846120 933189055 /nfs/dbraw/zinc/18/90/55/933189055.db2.gz NGWJNNASSPQKQU-OAHLLOKOSA-N 1 1 297.345 3.330 20 10 CGCDMO Oc1c(F)cccc1C[NH2+]Cc1ccc(-c2cnco2)cc1 ZINC001308969176 933215701 /nfs/dbraw/zinc/21/57/01/933215701.db2.gz VBZFYXFRFUJXSS-UHFFFAOYSA-N 1 1 298.317 3.476 20 10 CGCDMO CCOCC[N@@H+](CC)Cc1ccc(N2CCCC2)cc1 ZINC001319948325 933962963 /nfs/dbraw/zinc/96/29/63/933962963.db2.gz RKWXACNVVIOFTO-UHFFFAOYSA-N 1 1 276.424 3.145 20 10 CGCDMO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC001320130161 934006084 /nfs/dbraw/zinc/00/60/84/934006084.db2.gz JBLCIHQLBMJSAY-GHMZBOCLSA-N 1 1 297.370 3.302 20 10 CGCDMO CC1=CC[N@@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001320508589 934058177 /nfs/dbraw/zinc/05/81/77/934058177.db2.gz CNALLAONCHVWSO-UHFFFAOYSA-N 1 1 256.393 3.439 20 10 CGCDMO C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC001331831983 935413076 /nfs/dbraw/zinc/41/30/76/935413076.db2.gz CKVZPRNRFKALBB-CHWSQXEVSA-N 1 1 272.392 3.052 20 10 CGCDMO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001334327498 936097497 /nfs/dbraw/zinc/09/74/97/936097497.db2.gz RTMJPCRLVCFAPA-MAUKXSAKSA-N 1 1 288.435 3.286 20 10 CGCDMO Nc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)cc1 ZINC001335284631 936136897 /nfs/dbraw/zinc/13/68/97/936136897.db2.gz FVRKWEWGLFNZDG-HUUCEWRRSA-N 1 1 262.422 3.129 20 10 CGCDMO CCCC[N@H+](C)C[C@@H](C)NCc1ccc2c(c1)CCCO2 ZINC001474165654 937842590 /nfs/dbraw/zinc/84/25/90/937842590.db2.gz YNIKGKVOEUDEJH-OAHLLOKOSA-N 1 1 290.451 3.222 20 10 CGCDMO CCCC[N@@H+](C)C[C@@H](C)NCc1ccc2c(c1)CCCO2 ZINC001474165654 937842592 /nfs/dbraw/zinc/84/25/92/937842592.db2.gz YNIKGKVOEUDEJH-OAHLLOKOSA-N 1 1 290.451 3.222 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC001474546794 937866119 /nfs/dbraw/zinc/86/61/19/937866119.db2.gz PNECJYCGTHWHMC-CVEARBPZSA-N 1 1 293.794 3.189 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC001474546794 937866121 /nfs/dbraw/zinc/86/61/21/937866121.db2.gz PNECJYCGTHWHMC-CVEARBPZSA-N 1 1 293.794 3.189 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH+]1CC(c2ccc(F)cc2)C1 ZINC001474568273 937867516 /nfs/dbraw/zinc/86/75/16/937867516.db2.gz XZKAKVVZFDXCDK-UHFFFAOYSA-N 1 1 293.288 3.409 20 10 CGCDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001560832986 938278182 /nfs/dbraw/zinc/27/81/82/938278182.db2.gz UZPOBBUEXACFAF-ZDUSSCGKSA-N 1 1 283.799 3.029 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC001560988661 938288086 /nfs/dbraw/zinc/28/80/86/938288086.db2.gz WTXKTAKLGAHHRP-UHFFFAOYSA-N 1 1 276.424 3.042 20 10 CGCDMO CC(C)c1ccc(O)c(CN2CC[N@H+](C)C(C)(C)C2)c1 ZINC001560988661 938288087 /nfs/dbraw/zinc/28/80/87/938288087.db2.gz WTXKTAKLGAHHRP-UHFFFAOYSA-N 1 1 276.424 3.042 20 10 CGCDMO CC(C)c1ccc(O)c(CN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001560988661 938288088 /nfs/dbraw/zinc/28/80/88/938288088.db2.gz WTXKTAKLGAHHRP-UHFFFAOYSA-N 1 1 276.424 3.042 20 10 CGCDMO CCc1cccc(C[N@@H+]2CCNC[C@@H]2c2ccccc2)c1O ZINC001578266388 962580875 /nfs/dbraw/zinc/58/08/75/962580875.db2.gz HSQHBTYSFIUAEE-GOSISDBHSA-N 1 1 296.414 3.101 20 10 CGCDMO CCc1cccc(C[N@H+]2CCNC[C@@H]2c2ccccc2)c1O ZINC001578266388 962580885 /nfs/dbraw/zinc/58/08/85/962580885.db2.gz HSQHBTYSFIUAEE-GOSISDBHSA-N 1 1 296.414 3.101 20 10 CGCDMO Nc1ccc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC001580443479 962728227 /nfs/dbraw/zinc/72/82/27/962728227.db2.gz JYSOOMUEDYMKRG-KRWDZBQOSA-N 1 1 286.375 3.043 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1C ZINC000129152649 370976060 /nfs/dbraw/zinc/97/60/60/370976060.db2.gz FPLKFNCBIYHWJN-PBHICJAKSA-N 1 1 275.392 3.010 20 10 CGCDMO CC[C@@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(F)cc1O ZINC000287350925 371641746 /nfs/dbraw/zinc/64/17/46/371641746.db2.gz GTCNIWGUUAEZSV-CQSZACIVSA-N 1 1 280.387 3.056 20 10 CGCDMO Cc1cccc(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)c1O ZINC000289233011 371753098 /nfs/dbraw/zinc/75/30/98/371753098.db2.gz DDMDOROSNMHABD-HOCLYGCPSA-N 1 1 277.408 3.216 20 10 CGCDMO CC[N@@H+](Cc1cccc(OC)c1O)CC(C)(C)C ZINC000291074884 372110457 /nfs/dbraw/zinc/11/04/57/372110457.db2.gz MJXAUARYTVOQHU-UHFFFAOYSA-N 1 1 251.370 3.269 20 10 CGCDMO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1CF ZINC000294034475 372561151 /nfs/dbraw/zinc/56/11/51/372561151.db2.gz OMYJKHDWJOFHJJ-LLVKDONJSA-N 1 1 288.160 3.089 20 10 CGCDMO Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H]1CF ZINC000294034475 372561155 /nfs/dbraw/zinc/56/11/55/372561155.db2.gz OMYJKHDWJOFHJJ-LLVKDONJSA-N 1 1 288.160 3.089 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])CCCO1 ZINC000294564240 372660457 /nfs/dbraw/zinc/66/04/57/372660457.db2.gz FZQIDDCLTSWVFY-NSHDSACASA-N 1 1 287.762 3.186 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)CCCO1 ZINC000294564240 372660467 /nfs/dbraw/zinc/66/04/67/372660467.db2.gz FZQIDDCLTSWVFY-NSHDSACASA-N 1 1 287.762 3.186 20 10 CGCDMO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)c2nccn21 ZINC000295346075 372744003 /nfs/dbraw/zinc/74/40/03/372744003.db2.gz YOHPSTHMGGHNIY-PBHICJAKSA-N 1 1 296.418 3.279 20 10 CGCDMO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(C)cc1O ZINC000296373459 373109544 /nfs/dbraw/zinc/10/95/44/373109544.db2.gz JGWFKXOTQKKKPE-UCMJJCQDSA-N 1 1 288.435 3.367 20 10 CGCDMO Cc1cccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1O ZINC000180439281 374005980 /nfs/dbraw/zinc/00/59/80/374005980.db2.gz RDQFXFJAHWNPHI-INIZCTEOSA-N 1 1 276.424 3.007 20 10 CGCDMO Cc1cccc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)c1O ZINC000180439281 374005998 /nfs/dbraw/zinc/00/59/98/374005998.db2.gz RDQFXFJAHWNPHI-INIZCTEOSA-N 1 1 276.424 3.007 20 10 CGCDMO Cc1cccc(CN(C)CC[C@@H]2CCCC[N@H+]2C)c1O ZINC000180439281 374006002 /nfs/dbraw/zinc/00/60/02/374006002.db2.gz RDQFXFJAHWNPHI-INIZCTEOSA-N 1 1 276.424 3.007 20 10 CGCDMO Cc1cccc(C[N@H+](C)[C@@H](C)c2ccccn2)c1O ZINC000182064771 374212939 /nfs/dbraw/zinc/21/29/39/374212939.db2.gz IYZFJEVDWWPZKG-ZDUSSCGKSA-N 1 1 256.349 3.289 20 10 CGCDMO C[N@@H+](CCF)Cc1ccc(N2CCCCC2)cc1 ZINC000268308741 378053112 /nfs/dbraw/zinc/05/31/12/378053112.db2.gz PHJVRAASGLMMJS-UHFFFAOYSA-N 1 1 250.361 3.078 20 10 CGCDMO Cc1cnc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)o1 ZINC000266505780 378023034 /nfs/dbraw/zinc/02/30/34/378023034.db2.gz BTQYKYRAIJTPQG-UHFFFAOYSA-N 1 1 287.407 3.460 20 10 CGCDMO Cc1cnc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)o1 ZINC000266505780 378023039 /nfs/dbraw/zinc/02/30/39/378023039.db2.gz BTQYKYRAIJTPQG-UHFFFAOYSA-N 1 1 287.407 3.460 20 10 CGCDMO CC(C)[N@@H+](CCO)Cc1cc(-c2ccccc2)ccc1O ZINC000271018852 378428759 /nfs/dbraw/zinc/42/87/59/378428759.db2.gz APGKFOBKEOFTCU-UHFFFAOYSA-N 1 1 285.387 3.262 20 10 CGCDMO CC[C@H]([NH2+]Cc1ccc(C)nc1)c1ccc(F)cc1O ZINC000285862985 380153263 /nfs/dbraw/zinc/15/32/63/380153263.db2.gz YLQJKSYFYPZNSS-HNNXBMFYSA-N 1 1 274.339 3.476 20 10 CGCDMO CC[C@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccc(F)cc1O ZINC000285978885 380155147 /nfs/dbraw/zinc/15/51/47/380155147.db2.gz HOLSUIYPBRFZAS-NHYWBVRUSA-N 1 1 280.387 3.055 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](CCO)C(C)(C)C)c1ccc(F)cc1O ZINC000286022135 380158598 /nfs/dbraw/zinc/15/85/98/380158598.db2.gz IRWOXDAHJROAGO-HIFRSBDPSA-N 1 1 283.387 3.369 20 10 CGCDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000093418837 392237010 /nfs/dbraw/zinc/23/70/10/392237010.db2.gz SBEHPBHCFZNVDA-MRXNPFEDSA-N 1 1 276.424 3.001 20 10 CGCDMO CCCOc1ccc(C[N@H+]2CC[C@H](OC)C[C@H]2C)c(O)c1 ZINC000282206884 392284695 /nfs/dbraw/zinc/28/46/95/392284695.db2.gz HDKRDBSTLNTTQX-HIFRSBDPSA-N 1 1 293.407 3.180 20 10 CGCDMO C[N@H+](Cc1c(O)cccc1Cl)C[C@H]1CCCCO1 ZINC000132604395 392462194 /nfs/dbraw/zinc/46/21/94/392462194.db2.gz SGVMQTITSOJTCO-LLVKDONJSA-N 1 1 269.772 3.047 20 10 CGCDMO CCC(CC)[N@@H+](CCOC)Cc1cccc(OC)c1O ZINC000133491156 392463588 /nfs/dbraw/zinc/46/35/88/392463588.db2.gz YMVVSGBXGZDBHO-UHFFFAOYSA-N 1 1 281.396 3.038 20 10 CGCDMO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1ccccc1O ZINC000179568520 392704647 /nfs/dbraw/zinc/70/46/47/392704647.db2.gz LNKBDYHLDPLBKZ-KBXCAEBGSA-N 1 1 283.371 3.354 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000179582148 392704961 /nfs/dbraw/zinc/70/49/61/392704961.db2.gz NKPWQRHDXGPYPC-OAHLLOKOSA-N 1 1 275.373 3.027 20 10 CGCDMO COc1ccc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)cc1C ZINC000527808912 542743411 /nfs/dbraw/zinc/74/34/11/542743411.db2.gz QZVLYKCBBNCLEQ-KRWDZBQOSA-N 1 1 288.435 3.110 20 10 CGCDMO COc1ccc(CNC[C@@H]2CC[N@H+]2C2CCCC2)cc1C ZINC000527808912 542743414 /nfs/dbraw/zinc/74/34/14/542743414.db2.gz QZVLYKCBBNCLEQ-KRWDZBQOSA-N 1 1 288.435 3.110 20 10 CGCDMO Cc1ccc(NC(=O)C[N@H+](C)Cc2cc(C)ccc2O)cc1 ZINC000159162194 261179716 /nfs/dbraw/zinc/17/97/16/261179716.db2.gz KIKCPYPGLGUTAY-UHFFFAOYSA-N 1 1 298.386 3.080 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)C2CCCCC2)cc1OC ZINC000159460391 261186724 /nfs/dbraw/zinc/18/67/24/261186724.db2.gz AKOWXMZBXADNFY-UHFFFAOYSA-N 1 1 279.380 3.174 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)Cc2ccco2)c1O ZINC000162154383 261271643 /nfs/dbraw/zinc/27/16/43/261271643.db2.gz VAWBFGOQAGXCDK-UHFFFAOYSA-N 1 1 261.321 3.016 20 10 CGCDMO CCCOc1ccc(C[N@@H+](C)Cc2ccco2)c(O)c1 ZINC000162170739 261272431 /nfs/dbraw/zinc/27/24/31/261272431.db2.gz IZQZJSMZYYDJTH-UHFFFAOYSA-N 1 1 275.348 3.406 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C)c1O ZINC000184691852 262026014 /nfs/dbraw/zinc/02/60/14/262026014.db2.gz HKTKBNVINSJIKK-VIFPVBQESA-N 1 1 255.745 3.039 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+](C)Cc2ccncc2)c1O ZINC000184745063 262027496 /nfs/dbraw/zinc/02/74/96/262027496.db2.gz DUPVCFKPDHQFCB-UHFFFAOYSA-N 1 1 292.766 3.081 20 10 CGCDMO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(F)cc1O ZINC000184944430 262034951 /nfs/dbraw/zinc/03/49/51/262034951.db2.gz QECMIIFZNDSZLA-QFYYESIMSA-N 1 1 293.313 3.055 20 10 CGCDMO CC[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)N1CCCC1 ZINC000184990758 262036894 /nfs/dbraw/zinc/03/68/94/262036894.db2.gz RNSJATYOZASZHU-GXTWGEPZSA-N 1 1 280.387 3.056 20 10 CGCDMO Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185435250 262053994 /nfs/dbraw/zinc/05/39/94/262053994.db2.gz YXZOZLFNXISRIK-SJCJKPOMSA-N 1 1 289.350 3.224 20 10 CGCDMO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)c1nccs1 ZINC000186727409 262322378 /nfs/dbraw/zinc/32/23/78/262322378.db2.gz QOKTWETXUHNHHE-UWVGGRQHSA-N 1 1 280.368 3.442 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@]3(C2)CCCOC3)cc1C ZINC000376758484 268014299 /nfs/dbraw/zinc/01/42/99/268014299.db2.gz PRLUDSZFHUERGD-KRWDZBQOSA-N 1 1 275.392 3.012 20 10 CGCDMO CC[C@H](CO)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000278257820 287876816 /nfs/dbraw/zinc/87/68/16/287876816.db2.gz NHLAVZUUWLJWSY-HTQZYQBOSA-N 1 1 278.179 3.121 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cscn1 ZINC000271027850 278357356 /nfs/dbraw/zinc/35/73/56/278357356.db2.gz BHCUYTKOGRKYHE-SNVBAGLBSA-N 1 1 279.384 3.199 20 10 CGCDMO CSC1(C[N@@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC000284020779 328245404 /nfs/dbraw/zinc/24/54/04/328245404.db2.gz KUJMCXQQLKMICP-UHFFFAOYSA-N 1 1 264.438 3.080 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(F)cc1O ZINC000168814970 329059661 /nfs/dbraw/zinc/05/96/61/329059661.db2.gz VMELXQSZPSXNJP-GXSJLCMTSA-N 1 1 255.358 3.078 20 10 CGCDMO C[C@H]([NH2+]CC1CCSCC1)c1ccc(F)cc1O ZINC000168773255 329061525 /nfs/dbraw/zinc/06/15/25/329061525.db2.gz VEYVFJCLYXDGOW-JTQLQIEISA-N 1 1 269.385 3.325 20 10 CGCDMO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000527803623 330284266 /nfs/dbraw/zinc/28/42/66/330284266.db2.gz HSSKRDNJFWPVLJ-PJPCKVBYSA-N 1 1 287.762 3.086 20 10 CGCDMO C=Cn1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000278205001 519321731 /nfs/dbraw/zinc/32/17/31/519321731.db2.gz JMMGEIFSHPIMKY-UHFFFAOYSA-N 1 1 296.418 3.214 20 10 CGCDMO CCCCN1CCC([NH2+]Cc2cc(C)ccc2O)CC1 ZINC000071407932 520576113 /nfs/dbraw/zinc/57/61/13/520576113.db2.gz UQMUBKWSFKNWOK-UHFFFAOYSA-N 1 1 276.424 3.055 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@](C)(OC)CC2)c1 ZINC000280137858 521143467 /nfs/dbraw/zinc/14/34/67/521143467.db2.gz CUXPVYHEQPJGBW-KRWDZBQOSA-N 1 1 293.407 3.182 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCS[C@H](C)[C@@H]2C)c1O ZINC000093500477 521341091 /nfs/dbraw/zinc/34/10/91/521341091.db2.gz MMIGYUUIRWGXFR-NWDGAFQWSA-N 1 1 281.421 3.117 20 10 CGCDMO CCC[N@@H+](Cc1cn2ccccc2n1)Cc1ccccc1O ZINC000076746547 521691644 /nfs/dbraw/zinc/69/16/44/521691644.db2.gz GUGNVIILFVDCIE-UHFFFAOYSA-N 1 1 295.386 3.452 20 10 CGCDMO CN(C)[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000096810793 522041712 /nfs/dbraw/zinc/04/17/12/522041712.db2.gz KYJYUOMNWKOZSH-OAHLLOKOSA-N 1 1 284.403 3.071 20 10 CGCDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000292797628 524817568 /nfs/dbraw/zinc/81/75/68/524817568.db2.gz NCUDCGHIJOJTBD-YJBOKZPZSA-N 1 1 288.435 3.022 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)[C@H](O)c1ccccc1 ZINC000290152664 525608741 /nfs/dbraw/zinc/60/87/41/525608741.db2.gz CRZWWJCYJMOKQX-JKDFXYPNSA-N 1 1 289.350 3.304 20 10 CGCDMO Cc1ncc(C[NH2+][C@@H](C)c2ccc(F)cc2O)s1 ZINC000062748066 527275312 /nfs/dbraw/zinc/27/53/12/527275312.db2.gz ANUCDJHDPOYLGL-QMMMGPOBSA-N 1 1 266.341 3.147 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCCO[C@H](C)C2)cc1C(C)C ZINC000738161069 571933001 /nfs/dbraw/zinc/93/30/01/571933001.db2.gz LTBXPWIJUMGCJJ-CQSZACIVSA-N 1 1 277.408 3.435 20 10 CGCDMO CCc1cc(C[N@@H+](C)[C@@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000730260318 572333829 /nfs/dbraw/zinc/33/38/29/572333829.db2.gz OSKRMJFNMAJBMV-OAHLLOKOSA-N 1 1 291.435 3.473 20 10 CGCDMO CCCC[N@@H+](CCOC)Cc1cc(C)c(C)cc1O ZINC000731660655 572422121 /nfs/dbraw/zinc/42/21/21/572422121.db2.gz FFPLADJNJCXTGZ-UHFFFAOYSA-N 1 1 265.397 3.258 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCOC[C@H]2CC(C)C)cc1C ZINC000733789042 572604699 /nfs/dbraw/zinc/60/46/99/572604699.db2.gz KLUHVAOVNTZSGH-MRXNPFEDSA-N 1 1 277.408 3.256 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000734508948 572661896 /nfs/dbraw/zinc/66/18/96/572661896.db2.gz FBLAIQMHWPGTHF-UHFFFAOYSA-N 1 1 294.402 3.227 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)CC1(C)COC1 ZINC000743839527 572686946 /nfs/dbraw/zinc/68/69/46/572686946.db2.gz IZXBFASCWASPSM-UHFFFAOYSA-N 1 1 288.435 3.145 20 10 CGCDMO COC(=O)CCC[N@H+](CC(C)C)c1ccc(OC)cc1 ZINC000735310415 572714169 /nfs/dbraw/zinc/71/41/69/572714169.db2.gz ZUNZNUCGYPDYPV-UHFFFAOYSA-N 1 1 279.380 3.111 20 10 CGCDMO COC(=O)CCC[N@@H+](CC(C)C)c1ccc(OC)cc1 ZINC000735310415 572714172 /nfs/dbraw/zinc/71/41/72/572714172.db2.gz ZUNZNUCGYPDYPV-UHFFFAOYSA-N 1 1 279.380 3.111 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCOC3(CCC3)C1)CCCC2 ZINC000160524552 618086324 /nfs/dbraw/zinc/08/63/24/618086324.db2.gz LAGWMCYLXFHOPO-UHFFFAOYSA-N 1 1 287.403 3.026 20 10 CGCDMO CCC[N@@H+](CCSCC)Cc1ccccc1O ZINC000160159653 617608086 /nfs/dbraw/zinc/60/80/86/617608086.db2.gz VYFIHLRKFAFKTN-UHFFFAOYSA-N 1 1 253.411 3.357 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@H]2CC)c1O ZINC000187576004 618110061 /nfs/dbraw/zinc/11/00/61/618110061.db2.gz TYPWITSBVAQUCT-TZMCWYRMSA-N 1 1 263.381 3.411 20 10 CGCDMO Cc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cnc1F ZINC000891397771 618185685 /nfs/dbraw/zinc/18/56/85/618185685.db2.gz REQQOBXWYJDQSC-UHFFFAOYSA-N 1 1 287.382 3.227 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2C)c(O)c1OC ZINC000891861548 618346627 /nfs/dbraw/zinc/34/66/27/618346627.db2.gz HKJAXZBAUWQEPH-VXGBXAGGSA-N 1 1 279.380 3.030 20 10 CGCDMO COC1([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2O)CCC1 ZINC000840884442 618871467 /nfs/dbraw/zinc/87/14/67/618871467.db2.gz MRAFXCOROQAORO-WDEREUQCSA-N 1 1 267.344 3.140 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](COC)C2)cc1 ZINC000093338101 619185970 /nfs/dbraw/zinc/18/59/70/619185970.db2.gz JPVQNSHKJHUQFI-QGZVFWFLSA-N 1 1 290.451 3.391 20 10 CGCDMO CSC[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000093761045 619214879 /nfs/dbraw/zinc/21/48/79/619214879.db2.gz GBDCKWZIFVZITN-LBPRGKRZSA-N 1 1 271.813 3.373 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)Cc1c(C)ccnc1N ZINC000893983295 619346564 /nfs/dbraw/zinc/34/65/64/619346564.db2.gz AEESATWELZAVDO-UHFFFAOYSA-N 1 1 285.391 3.090 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](OCC(C)C)C2)c1 ZINC000164493075 619704979 /nfs/dbraw/zinc/70/49/79/619704979.db2.gz SLVWGEXTFRSQOE-MRXNPFEDSA-N 1 1 277.408 3.256 20 10 CGCDMO CN(C)c1ccc(F)cc1C[NH2+]Cc1c(O)cccc1F ZINC000896644950 620040473 /nfs/dbraw/zinc/04/04/73/620040473.db2.gz ZVJQXCYRPPDMNA-UHFFFAOYSA-N 1 1 292.329 3.026 20 10 CGCDMO Oc1cccc(F)c1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000896638835 620041547 /nfs/dbraw/zinc/04/15/47/620041547.db2.gz CEHQUQAKHSKTMK-GFCCVEGCSA-N 1 1 279.355 3.113 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)[C@@H]1CCOC1 ZINC000841756397 620402790 /nfs/dbraw/zinc/40/27/90/620402790.db2.gz XPHAFQKCGKKNJJ-OUAUKWLOSA-N 1 1 269.772 3.121 20 10 CGCDMO C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1c(O)cccc1F ZINC000927068644 620569937 /nfs/dbraw/zinc/56/99/37/620569937.db2.gz TZBPFPUYWYMAQR-PPHDSNJXSA-N 1 1 293.382 3.387 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)C(C)(C)OC)c1ccc(F)cc1O ZINC000903332975 621707398 /nfs/dbraw/zinc/70/73/98/621707398.db2.gz WRHGBNWULQXQSG-MFKMUULPSA-N 1 1 269.360 3.386 20 10 CGCDMO C[C@@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1c(O)cccc1F ZINC000903367288 621716062 /nfs/dbraw/zinc/71/60/62/621716062.db2.gz HAPHNKLUPWRHKR-BFQNTYOBSA-N 1 1 291.366 3.141 20 10 CGCDMO CCOc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c(O)c1 ZINC000768138291 625527392 /nfs/dbraw/zinc/52/73/92/625527392.db2.gz SWDIKFROEIEHIX-BETUJISGSA-N 1 1 263.381 3.269 20 10 CGCDMO C[C@H](NCC[N@@H+]1CCC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000156669812 622832534 /nfs/dbraw/zinc/83/25/34/622832534.db2.gz CQJVENBNDNTXBV-HOTGVXAUSA-N 1 1 289.467 3.135 20 10 CGCDMO C[C@H](NCC[N@H+]1CCC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000156669812 622832539 /nfs/dbraw/zinc/83/25/39/622832539.db2.gz CQJVENBNDNTXBV-HOTGVXAUSA-N 1 1 289.467 3.135 20 10 CGCDMO CC[NH+](CC)CCC[N@@H+](CC)Cc1cc(C)ccc1O ZINC000230745041 623266427 /nfs/dbraw/zinc/26/64/27/623266427.db2.gz DSMJOHNIXCATQW-UHFFFAOYSA-N 1 1 278.440 3.254 20 10 CGCDMO CCN(CCC[NH+](CC)CC)Cc1cc(C)ccc1O ZINC000230745041 623266431 /nfs/dbraw/zinc/26/64/31/623266431.db2.gz DSMJOHNIXCATQW-UHFFFAOYSA-N 1 1 278.440 3.254 20 10 CGCDMO COc1cnccc1[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000188797622 623268293 /nfs/dbraw/zinc/26/82/93/623268293.db2.gz ZGVRIAZHHXIWDE-MNOVXSKESA-N 1 1 290.338 3.347 20 10 CGCDMO C[N@@H+](CCc1ccc(F)c(F)c1)Cc1ccccc1O ZINC000153881424 624120483 /nfs/dbraw/zinc/12/04/83/624120483.db2.gz HQTCKXIUZFKSKH-UHFFFAOYSA-N 1 1 277.314 3.345 20 10 CGCDMO C[N@@H+](CCOCc1ccccc1)Cc1cc(F)ccc1O ZINC000180269487 624731405 /nfs/dbraw/zinc/73/14/05/624731405.db2.gz OUZHDJBCFMGIGK-UHFFFAOYSA-N 1 1 289.350 3.180 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2Cc3ccccc3C[C@H]2C)c1 ZINC000180433202 624746848 /nfs/dbraw/zinc/74/68/48/624746848.db2.gz XTMYNCQZEVJFSK-CYBMUJFWSA-N 1 1 283.371 3.348 20 10 CGCDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000124573501 634428265 /nfs/dbraw/zinc/42/82/65/634428265.db2.gz GFZVNZNTYVLOJA-YGRLFVJLSA-N 1 1 279.355 3.497 20 10 CGCDMO CCC(CC)(C[NH2+][C@H](C)c1ccc(F)cc1O)C(=O)OC ZINC000183876008 625161545 /nfs/dbraw/zinc/16/15/45/625161545.db2.gz FFHAXHLEMNZTPW-LLVKDONJSA-N 1 1 297.370 3.161 20 10 CGCDMO c1c(C[NH2+]Cc2ccc3c(c2)CCCO3)onc1C1CC1 ZINC000922336785 626000089 /nfs/dbraw/zinc/00/00/89/626000089.db2.gz CFEDPHBRNQYFRU-UHFFFAOYSA-N 1 1 284.359 3.167 20 10 CGCDMO Cc1[nH+]ccn1CCCCSc1nccs1 ZINC000124663779 634478043 /nfs/dbraw/zinc/47/80/43/634478043.db2.gz QVLOEPKVBFNBCJ-UHFFFAOYSA-N 1 1 253.396 3.221 20 10 CGCDMO Cc1cccc(C[N@@H+]2Cc3cccc(F)c3C2)c1O ZINC000839182790 626327184 /nfs/dbraw/zinc/32/71/84/626327184.db2.gz MQPRLXNOYQGCPY-UHFFFAOYSA-N 1 1 257.308 3.356 20 10 CGCDMO Cc1cccc(C[N@H+]2Cc3cccc(F)c3C2)c1O ZINC000839182790 626327185 /nfs/dbraw/zinc/32/71/85/626327185.db2.gz MQPRLXNOYQGCPY-UHFFFAOYSA-N 1 1 257.308 3.356 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1c(O)cccc1F ZINC000886536854 626362241 /nfs/dbraw/zinc/36/22/41/626362241.db2.gz POPFCRXGXMUQKZ-NXEZZACHSA-N 1 1 287.425 3.031 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](C)CC2)c1O ZINC000754719705 626584574 /nfs/dbraw/zinc/58/45/74/626584574.db2.gz HHPOWDJNTVABRS-GFCCVEGCSA-N 1 1 263.381 3.331 20 10 CGCDMO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000756454838 626707232 /nfs/dbraw/zinc/70/72/32/626707232.db2.gz ONRWXHXGFLLYDZ-QJPTWQEYSA-N 1 1 279.380 3.264 20 10 CGCDMO CCC[N@H+](CC)CCN[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756638870 626723500 /nfs/dbraw/zinc/72/35/00/626723500.db2.gz WJHVWEOHSLNPTN-JSGCOSHPSA-N 1 1 294.414 3.401 20 10 CGCDMO CCC[N@@H+](CC)CCN[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756638870 626723501 /nfs/dbraw/zinc/72/35/01/626723501.db2.gz WJHVWEOHSLNPTN-JSGCOSHPSA-N 1 1 294.414 3.401 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@H]2C)c1 ZINC000756683206 626726217 /nfs/dbraw/zinc/72/62/17/626726217.db2.gz KMROOTUNOWWAQH-SUNKGSAMSA-N 1 1 277.364 3.018 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000756817544 626734229 /nfs/dbraw/zinc/73/42/29/626734229.db2.gz KNIDTAQTPZVZOP-QWRGUYRKSA-N 1 1 277.364 3.018 20 10 CGCDMO Oc1ccccc1C[N@@H+](CCn1ccnc1)C1CCCC1 ZINC000766242914 627306152 /nfs/dbraw/zinc/30/61/52/627306152.db2.gz MUHPUKAYDQCLKE-UHFFFAOYSA-N 1 1 285.391 3.034 20 10 CGCDMO C[N@@H+](Cc1cccc2nsnc21)Cc1ccccc1O ZINC000766885558 627366760 /nfs/dbraw/zinc/36/67/60/627366760.db2.gz UYKZMQZKKQOGHX-UHFFFAOYSA-N 1 1 285.372 3.029 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@@H](c3ccco3)C2)c(O)cc1C ZINC000768448664 627480361 /nfs/dbraw/zinc/48/03/61/627480361.db2.gz VDIYPXBJKUYZOT-CYBMUJFWSA-N 1 1 287.359 3.292 20 10 CGCDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cc(OC)c(C)cc1O ZINC000768466427 627481459 /nfs/dbraw/zinc/48/14/59/627481459.db2.gz QGUBITNGZUCIDG-RISCZKNCSA-N 1 1 263.381 3.330 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)C[C@H]2OCCc3ccccc32)c1 ZINC000769025612 627517866 /nfs/dbraw/zinc/51/78/66/627517866.db2.gz XOEDOJCGLLSNID-LJQANCHMSA-N 1 1 297.398 3.446 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](C)CC[C@@H]2C)c1 ZINC000769445161 627552774 /nfs/dbraw/zinc/55/27/74/627552774.db2.gz FRNHKWSXNXSIOF-OLZOCXBDSA-N 1 1 263.381 3.411 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC(C)(C)OCC2(C)C)c1O ZINC000769445443 627552967 /nfs/dbraw/zinc/55/29/67/627552967.db2.gz IKEJHSSROWQMDC-UHFFFAOYSA-N 1 1 293.407 3.180 20 10 CGCDMO CSC[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000769517868 627562325 /nfs/dbraw/zinc/56/23/25/627562325.db2.gz YPOFPFFGTRYUTN-CYBMUJFWSA-N 1 1 282.428 3.219 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)CCc2cnccn2)cc1C(C)C ZINC000770662678 627634979 /nfs/dbraw/zinc/63/49/79/627634979.db2.gz WRQAGKWMISIDQL-UHFFFAOYSA-N 1 1 299.418 3.289 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)cc1 ZINC000773750908 627910220 /nfs/dbraw/zinc/91/02/20/627910220.db2.gz FPYAWMNUXOSHGV-KBPBESRZSA-N 1 1 278.465 3.469 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](OC(F)F)C2)cc1 ZINC000773830187 627917566 /nfs/dbraw/zinc/91/75/66/627917566.db2.gz FBFYVMSOHAUQKE-HNNXBMFYSA-N 1 1 298.377 3.346 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCN(C)C1)c1cc(Cl)c(Cl)cc1O ZINC000774160738 627954253 /nfs/dbraw/zinc/95/42/53/627954253.db2.gz APFBDNADLXHAMH-DTWKUNHWSA-N 1 1 289.206 3.054 20 10 CGCDMO CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC000775715548 628128471 /nfs/dbraw/zinc/12/84/71/628128471.db2.gz GPKOUOJLSQHUGI-TZMCWYRMSA-N 1 1 296.842 3.350 20 10 CGCDMO CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC000775715548 628128474 /nfs/dbraw/zinc/12/84/74/628128474.db2.gz GPKOUOJLSQHUGI-TZMCWYRMSA-N 1 1 296.842 3.350 20 10 CGCDMO CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC000775715548 628128478 /nfs/dbraw/zinc/12/84/78/628128478.db2.gz GPKOUOJLSQHUGI-TZMCWYRMSA-N 1 1 296.842 3.350 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c1O ZINC000775718240 628129554 /nfs/dbraw/zinc/12/95/54/628129554.db2.gz XZAAKZKDIFMXCJ-QGZVFWFLSA-N 1 1 275.392 3.093 20 10 CGCDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(C)c2O)C12CCC2 ZINC000775743380 628131884 /nfs/dbraw/zinc/13/18/84/628131884.db2.gz ZKJSMAFTQRYULK-JKSUJKDBSA-N 1 1 289.419 3.480 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000776017834 628158248 /nfs/dbraw/zinc/15/82/48/628158248.db2.gz SVIDJJHKCWZCLS-UHFFFAOYSA-N 1 1 295.810 3.438 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000779605763 628417680 /nfs/dbraw/zinc/41/76/80/628417680.db2.gz YQUQMYHQEQWXKB-CYBMUJFWSA-N 1 1 275.392 3.413 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@@H](C)C2)c1 ZINC000783306275 628702039 /nfs/dbraw/zinc/70/20/39/628702039.db2.gz GBPYNBKANDMNIU-NTZNESFSSA-N 1 1 277.364 3.018 20 10 CGCDMO C[C@@H]1COc2ccccc2C[N@H+]1Cc1cc(F)ccc1O ZINC000783597163 628730532 /nfs/dbraw/zinc/73/05/32/628730532.db2.gz KAYMWJNAYBYBOD-GFCCVEGCSA-N 1 1 287.334 3.314 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)C[C@H]2CC=CCC2)cc1OC ZINC000784011587 628765273 /nfs/dbraw/zinc/76/52/73/628765273.db2.gz BPJQKDQPMOVUHT-ZDUSSCGKSA-N 1 1 291.391 3.198 20 10 CGCDMO CC(C)[N@H+]1CCCC[C@H]1CN(C)Cc1ccccc1O ZINC000787729485 629026022 /nfs/dbraw/zinc/02/60/22/629026022.db2.gz ICOLPFUNZGJNAU-INIZCTEOSA-N 1 1 276.424 3.087 20 10 CGCDMO CC(C)N1CCCC[C@H]1C[N@H+](C)Cc1ccccc1O ZINC000787729485 629026023 /nfs/dbraw/zinc/02/60/23/629026023.db2.gz ICOLPFUNZGJNAU-INIZCTEOSA-N 1 1 276.424 3.087 20 10 CGCDMO CC(C)N1CCCC[C@H]1C[N@@H+](C)Cc1ccccc1O ZINC000787729485 629026027 /nfs/dbraw/zinc/02/60/27/629026027.db2.gz ICOLPFUNZGJNAU-INIZCTEOSA-N 1 1 276.424 3.087 20 10 CGCDMO C[C@@H](O)CCC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000789328006 629124885 /nfs/dbraw/zinc/12/48/85/629124885.db2.gz XSQIXALENHIBAD-CQSZACIVSA-N 1 1 277.408 3.298 20 10 CGCDMO CC(C)[C@H]1CC[N@H+]1Cc1c(O)cccc1Br ZINC000862262348 629333473 /nfs/dbraw/zinc/33/34/73/629333473.db2.gz XNFJONIVPHMGLB-GFCCVEGCSA-N 1 1 284.197 3.385 20 10 CGCDMO COCC[N@@H+](Cc1cccc(OC)c1O)[C@H]1CC[C@@H](C)C1 ZINC000792192824 629346703 /nfs/dbraw/zinc/34/67/03/629346703.db2.gz NZUNXUBAKHTSOM-HIFRSBDPSA-N 1 1 293.407 3.038 20 10 CGCDMO COCC[N@@H+](Cc1cc(OC)ccc1O)[C@@H]1CC[C@@H](C)C1 ZINC000792192384 629346946 /nfs/dbraw/zinc/34/69/46/629346946.db2.gz JITBDRNZXVXHFD-UKRRQHHQSA-N 1 1 293.407 3.038 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)[C@@H](C)C1 ZINC000862353849 629347486 /nfs/dbraw/zinc/34/74/86/629347486.db2.gz CAGIPUNHJGFAST-WCQYABFASA-N 1 1 298.377 3.030 20 10 CGCDMO CCCC[N@@H+](Cc1nc(C)c[nH]1)Cc1ccccc1O ZINC000862355273 629348024 /nfs/dbraw/zinc/34/80/24/629348024.db2.gz HMVYZANCRKKVIW-UHFFFAOYSA-N 1 1 273.380 3.226 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCSCC[C@@H]2C)c(O)c1 ZINC000792197007 629348541 /nfs/dbraw/zinc/34/85/41/629348541.db2.gz NZIAEUXYYIMTGA-LBPRGKRZSA-N 1 1 281.421 3.118 20 10 CGCDMO Oc1ccc(Cl)c(F)c1Cn1c[nH+]c2c1CCCC2 ZINC000862431382 629370613 /nfs/dbraw/zinc/37/06/13/629370613.db2.gz IMVILYVWAJUHBN-UHFFFAOYSA-N 1 1 280.730 3.308 20 10 CGCDMO CCC[N@@H+](CCC(C)(C)C(=O)OC)Cc1ccccc1O ZINC000792800677 629382856 /nfs/dbraw/zinc/38/28/56/629382856.db2.gz YUPCZCPEVKTAIW-UHFFFAOYSA-N 1 1 293.407 3.194 20 10 CGCDMO Oc1cccc(Cl)c1C[N@@H+]1CCc2c(O)cccc2C1 ZINC000862529472 629391207 /nfs/dbraw/zinc/39/12/07/629391207.db2.gz LMJKGBKBRGTUQN-UHFFFAOYSA-N 1 1 289.762 3.310 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCc2c(O)cccc2C1 ZINC000862529472 629391209 /nfs/dbraw/zinc/39/12/09/629391209.db2.gz LMJKGBKBRGTUQN-UHFFFAOYSA-N 1 1 289.762 3.310 20 10 CGCDMO CCc1cccc(C[N@H+]2CCc3c(O)cccc3C2)c1O ZINC000862529323 629391578 /nfs/dbraw/zinc/39/15/78/629391578.db2.gz KVQDXIJXZCBNOU-UHFFFAOYSA-N 1 1 283.371 3.219 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)c1 ZINC000862540851 629396093 /nfs/dbraw/zinc/39/60/93/629396093.db2.gz LBOBOJOCZSFMDZ-AWEZNQCLSA-N 1 1 299.370 3.096 20 10 CGCDMO C[C@H]1C[C@H](C)[NH+]1Cc1cccc(Br)c1O ZINC000793227447 629431523 /nfs/dbraw/zinc/43/15/23/629431523.db2.gz CETCDOIAQTXDBD-IUCAKERBSA-N 1 1 270.170 3.137 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000793230950 629433560 /nfs/dbraw/zinc/43/35/60/629433560.db2.gz IVJYURNYUYKVGP-ZYHUDNBSSA-N 1 1 273.298 3.473 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](CC2CC2)CC2CCC2)c1 ZINC000793388817 629452711 /nfs/dbraw/zinc/45/27/11/629452711.db2.gz JBHSSBUJFSOSCS-UHFFFAOYSA-N 1 1 275.392 3.413 20 10 CGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000794654204 629563725 /nfs/dbraw/zinc/56/37/25/629563725.db2.gz GQYXHPYCEWWGNJ-SFHVURJKSA-N 1 1 289.419 3.272 20 10 CGCDMO CCC(CC)[C@@H](O)C[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000796758309 629827561 /nfs/dbraw/zinc/82/75/61/629827561.db2.gz FSMAEPZHHRXGMC-HOCLYGCPSA-N 1 1 283.387 3.369 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](F)C2)cc1C(C)C ZINC000840105106 630595443 /nfs/dbraw/zinc/59/54/43/630595443.db2.gz OLKSNBKKGYTPFX-ZDUSSCGKSA-N 1 1 251.345 3.368 20 10 CGCDMO CCOc1ccc(O)c(C[NH2+]C2(C(F)F)CCCC2)c1 ZINC000808451453 630646463 /nfs/dbraw/zinc/64/64/63/630646463.db2.gz PMPIVAOLZJMVRE-UHFFFAOYSA-N 1 1 285.334 3.458 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)[C@H](CC)CSC)c1O ZINC000809766890 630802253 /nfs/dbraw/zinc/80/22/53/630802253.db2.gz BNGONFKJOROEOD-CYBMUJFWSA-N 1 1 283.437 3.364 20 10 CGCDMO CCC(CC)[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000809789125 630809820 /nfs/dbraw/zinc/80/98/20/630809820.db2.gz ZASCGZLALGGRGA-UHFFFAOYSA-N 1 1 296.367 3.320 20 10 CGCDMO CCC(CC)[N@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000809789125 630809827 /nfs/dbraw/zinc/80/98/27/630809827.db2.gz ZASCGZLALGGRGA-UHFFFAOYSA-N 1 1 296.367 3.320 20 10 CGCDMO CCC(CC)[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000809789125 630809831 /nfs/dbraw/zinc/80/98/31/630809831.db2.gz ZASCGZLALGGRGA-UHFFFAOYSA-N 1 1 296.367 3.320 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCCc3occc3C2)c1 ZINC000809792287 630812019 /nfs/dbraw/zinc/81/20/19/630812019.db2.gz PUNXGRWAKHELFQ-UHFFFAOYSA-N 1 1 287.359 3.332 20 10 CGCDMO CC(C)[N@@H+](C)C[C@H](C)N[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000810244129 630858123 /nfs/dbraw/zinc/85/81/23/630858123.db2.gz AFQIQOPFFVJMHE-OBJOEFQTSA-N 1 1 294.414 3.398 20 10 CGCDMO CC(C)[N@H+](C)C[C@H](C)N[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000810244129 630858124 /nfs/dbraw/zinc/85/81/24/630858124.db2.gz AFQIQOPFFVJMHE-OBJOEFQTSA-N 1 1 294.414 3.398 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](O)C2(C)C)cc1F ZINC000812779624 631306630 /nfs/dbraw/zinc/30/66/30/631306630.db2.gz UEQCZSXJTNNLHU-INIZCTEOSA-N 1 1 294.414 3.017 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000876513378 634849660 /nfs/dbraw/zinc/84/96/60/634849660.db2.gz LKMTVIKXSLOHJB-HNNXBMFYSA-N 1 1 256.349 3.366 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000876545945 634854229 /nfs/dbraw/zinc/85/42/29/634854229.db2.gz PTDFXKALXMALMM-INIZCTEOSA-N 1 1 270.376 3.376 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(O)c(F)c2)cc1 ZINC000813334484 631412916 /nfs/dbraw/zinc/41/29/16/631412916.db2.gz LPELJFPLXHTAMF-UHFFFAOYSA-N 1 1 288.366 3.229 20 10 CGCDMO CSC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000814179328 631539708 /nfs/dbraw/zinc/53/97/08/631539708.db2.gz RIAMWEYXJSVUDK-CQSZACIVSA-N 1 1 296.455 3.467 20 10 CGCDMO Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)ccc1N(C)C ZINC000815087977 631713946 /nfs/dbraw/zinc/71/39/46/631713946.db2.gz WVIGLMHCIWBZAR-SWLSCSKDSA-N 1 1 264.388 3.241 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000815112841 631718684 /nfs/dbraw/zinc/71/86/84/631718684.db2.gz DYAIQUXZRUIJLF-GOSISDBHSA-N 1 1 288.435 3.145 20 10 CGCDMO [O-]c1ccc(Cl)cc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000815150922 631732015 /nfs/dbraw/zinc/73/20/15/631732015.db2.gz GXXWCRVWOAWGKR-UHFFFAOYSA-N 1 1 296.842 3.401 20 10 CGCDMO CO[C@H](C)CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815573800 631798171 /nfs/dbraw/zinc/79/81/71/631798171.db2.gz UNYDXJXWNPNVLT-NXEZZACHSA-N 1 1 291.313 3.487 20 10 CGCDMO C[C@H]([NH2+]CCc1cn[nH]c1)c1cccc(C(F)(F)F)c1O ZINC000815627887 631808838 /nfs/dbraw/zinc/80/88/38/631808838.db2.gz MCJLJHQQYIUOBH-VIFPVBQESA-N 1 1 299.296 3.027 20 10 CGCDMO C[N@H+](Cc1ccc2ccccc2c1O)CC1CCOCC1 ZINC000816507509 631998334 /nfs/dbraw/zinc/99/83/34/631998334.db2.gz IWTQBBFTLLZPET-UHFFFAOYSA-N 1 1 285.387 3.404 20 10 CGCDMO Cc1cc(C[NH2+]Cc2ccc3ccccc3c2O)no1 ZINC000816540690 632006068 /nfs/dbraw/zinc/00/60/68/632006068.db2.gz SDBPVJTUGATOQV-UHFFFAOYSA-N 1 1 268.316 3.132 20 10 CGCDMO CCOC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C(C)C ZINC000816589842 632018981 /nfs/dbraw/zinc/01/89/81/632018981.db2.gz KNFDIYZJCYRTJM-ZDUSSCGKSA-N 1 1 289.778 3.335 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000817419818 632148069 /nfs/dbraw/zinc/14/80/69/632148069.db2.gz YMAWLSGOTOYLGL-MRXNPFEDSA-N 1 1 290.451 3.046 20 10 CGCDMO C[C@H](NC1CC[NH2+]CC1)c1ccc(N2CCCCC2)cc1 ZINC000817936040 632238219 /nfs/dbraw/zinc/23/82/19/632238219.db2.gz MHLLBRDLDIZGEZ-HNNXBMFYSA-N 1 1 287.451 3.080 20 10 CGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CCCCN2)c1O ZINC000817949805 632246680 /nfs/dbraw/zinc/24/66/80/632246680.db2.gz NFZXIYCRGYJVPK-YPMHNXCESA-N 1 1 282.815 3.147 20 10 CGCDMO C[C@H](NCC(C)(C)[NH3+])c1ccc(N2CCCCC2)cc1 ZINC000817961144 632257526 /nfs/dbraw/zinc/25/75/26/632257526.db2.gz XSYNPVBGXZXDAY-AWEZNQCLSA-N 1 1 275.440 3.065 20 10 CGCDMO CCC([NH3+])(CC)CN[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817961045 632257949 /nfs/dbraw/zinc/25/79/49/632257949.db2.gz WMBRADRZANJPAH-ZYHUDNBSSA-N 1 1 280.387 3.187 20 10 CGCDMO C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817966606 632261218 /nfs/dbraw/zinc/26/12/18/632261218.db2.gz RFKXMEJWTOXJRK-ABAIWWIYSA-N 1 1 282.815 3.086 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cc(Cl)ccc1[O-] ZINC000817970074 632262486 /nfs/dbraw/zinc/26/24/86/632262486.db2.gz KWVAFLJJFPJYFW-DYEKYZERSA-N 1 1 282.815 3.356 20 10 CGCDMO C[C@H]([NH3+])[C@H](C)N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817977413 632268597 /nfs/dbraw/zinc/26/85/97/632268597.db2.gz JXKAGNRYEMMINW-JYJNAYRXSA-N 1 1 289.467 3.453 20 10 CGCDMO C[C@@H]([NH2+][C@@H](CCc1ccccc1)c1ccccc1O)[C@H](C)N ZINC000817977132 632268943 /nfs/dbraw/zinc/26/89/43/632268943.db2.gz CEKJELUENLAWHA-DAYGRLMNSA-N 1 1 298.430 3.391 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCCCNC1)c1cc2c(cc1O)CCCC2 ZINC000817983906 632273082 /nfs/dbraw/zinc/27/30/82/632273082.db2.gz LCJIODJEOKTCJO-XJKSGUPXSA-N 1 1 288.435 3.064 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CCC2)c1 ZINC000818355487 632313046 /nfs/dbraw/zinc/31/30/46/632313046.db2.gz GXEBGISFPSGZJA-WKPIXPDZSA-N 1 1 289.375 3.018 20 10 CGCDMO CO[C@H](C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1)C1CC1 ZINC000822584018 632976676 /nfs/dbraw/zinc/97/66/76/632976676.db2.gz YXTBQCANAZTIGD-GOSISDBHSA-N 1 1 288.435 3.142 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2F)c1 ZINC000866449894 633139747 /nfs/dbraw/zinc/13/97/47/633139747.db2.gz LAHBUEIQGBIFOH-LEWSCRJBSA-N 1 1 295.354 3.110 20 10 CGCDMO CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000866634675 633223166 /nfs/dbraw/zinc/22/31/66/633223166.db2.gz SQVLIAIMCPVRQW-CKYFFXLPSA-N 1 1 271.788 3.246 20 10 CGCDMO CC[N@@H+](Cc1cnn(C)c1)Cc1cc(Cl)c(C)cc1O ZINC000824610430 633264537 /nfs/dbraw/zinc/26/45/37/633264537.db2.gz MNEBKLMDVXPELC-UHFFFAOYSA-N 1 1 293.798 3.110 20 10 CGCDMO C[N@@H+](Cc1cc(Cl)ccc1O)[C@@H](CO)c1ccccc1 ZINC000824696235 633274617 /nfs/dbraw/zinc/27/46/17/633274617.db2.gz IYYMZEIAJVHOAV-HNNXBMFYSA-N 1 1 291.778 3.211 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCSC[C@@H]2C2CC2)cc1C ZINC000824914101 633305239 /nfs/dbraw/zinc/30/52/39/633305239.db2.gz LOCQAWCUBLISRP-OAHLLOKOSA-N 1 1 277.433 3.336 20 10 CGCDMO CCOc1cccc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c1O ZINC000824941447 633308807 /nfs/dbraw/zinc/30/88/07/633308807.db2.gz NQUFTNHGAWBSJT-NVXWUHKLSA-N 1 1 287.403 3.411 20 10 CGCDMO CC(C)[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876595348 634864405 /nfs/dbraw/zinc/86/44/05/634864405.db2.gz DSKCCXOSDXHOQM-UHFFFAOYSA-N 1 1 288.435 3.021 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@@]3(CCSC3)C2)c1O ZINC000825215430 633336390 /nfs/dbraw/zinc/33/63/90/633336390.db2.gz OWHRTIQWKFZCBH-MRXNPFEDSA-N 1 1 277.433 3.420 20 10 CGCDMO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000825290271 633342551 /nfs/dbraw/zinc/34/25/51/633342551.db2.gz SCIHIWQFPIQNCA-TZMCWYRMSA-N 1 1 287.762 3.232 20 10 CGCDMO COC[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000825321942 633345622 /nfs/dbraw/zinc/34/56/22/633345622.db2.gz SACXAAXSEIGEQW-AWEZNQCLSA-N 1 1 294.414 3.140 20 10 CGCDMO OCCC[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000825339078 633346784 /nfs/dbraw/zinc/34/67/84/633346784.db2.gz ZWVPPZPCHJRGLU-AWEZNQCLSA-N 1 1 285.387 3.140 20 10 CGCDMO Cc1cc(O)c(C[NH2+][C@H]2CCCc3c[nH]nc32)cc1Cl ZINC000825365865 633349343 /nfs/dbraw/zinc/34/93/43/633349343.db2.gz NMQTVZMIGLSQEI-ZDUSSCGKSA-N 1 1 291.782 3.244 20 10 CGCDMO C[C@]1(C2CC2)C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000826877186 633440089 /nfs/dbraw/zinc/44/00/89/633440089.db2.gz CEMCZLOKUXUFIM-OAHLLOKOSA-N 1 1 281.783 3.047 20 10 CGCDMO C[C@]1(C2CC2)C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000826877186 633440091 /nfs/dbraw/zinc/44/00/91/633440091.db2.gz CEMCZLOKUXUFIM-OAHLLOKOSA-N 1 1 281.783 3.047 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000827376792 633486746 /nfs/dbraw/zinc/48/67/46/633486746.db2.gz HVKJFTZVQFDJDA-CXAGYDPISA-N 1 1 293.382 3.312 20 10 CGCDMO Oc1c(C[N@H+]2CC[C@H]3COC[C@@H]3C2)ccc2ccccc21 ZINC000827601734 633502334 /nfs/dbraw/zinc/50/23/34/633502334.db2.gz HSACGHRXAWOCFF-HOTGVXAUSA-N 1 1 283.371 3.014 20 10 CGCDMO COc1ccc([N@H+](CC2CC2)CC2CCOCC2)cc1 ZINC000831588088 633980156 /nfs/dbraw/zinc/98/01/56/633980156.db2.gz SGKIODZVNIMBGP-UHFFFAOYSA-N 1 1 275.392 3.338 20 10 CGCDMO COc1ccc([N@@H+](CC2CC2)CC2CCOCC2)cc1 ZINC000831588088 633980159 /nfs/dbraw/zinc/98/01/59/633980159.db2.gz SGKIODZVNIMBGP-UHFFFAOYSA-N 1 1 275.392 3.338 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](O)CC(C)(C)C2)cc1 ZINC000832152560 634032982 /nfs/dbraw/zinc/03/29/82/634032982.db2.gz KNPHTWHOBYELLZ-KRWDZBQOSA-N 1 1 290.451 3.126 20 10 CGCDMO CN(C)CC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCCC1 ZINC000834764515 634238069 /nfs/dbraw/zinc/23/80/69/634238069.db2.gz FCNBNJLOFSSEKX-OAHLLOKOSA-N 1 1 288.435 3.091 20 10 CGCDMO C[C@@H]([NH2+]CCCC1CCOCC1)c1ccc(F)cc1O ZINC000834818787 634247106 /nfs/dbraw/zinc/24/71/06/634247106.db2.gz OZJDBUIIXPXGPV-GFCCVEGCSA-N 1 1 281.371 3.389 20 10 CGCDMO CC[C@H]([NH2+]Cc1nn(C)cc1Cl)c1ccc(C)cc1O ZINC000834882346 634264374 /nfs/dbraw/zinc/26/43/74/634264374.db2.gz JMDYBUVTJPZMPY-ZDUSSCGKSA-N 1 1 293.798 3.328 20 10 CGCDMO CC[C@@H]([NH2+]CC(C)(C)C(C)(C)O)c1ccc(F)cc1O ZINC000834905162 634281391 /nfs/dbraw/zinc/28/13/91/634281391.db2.gz TZMHNBGUIKUNHK-CYBMUJFWSA-N 1 1 283.387 3.369 20 10 CGCDMO C[C@@H](C1CC1)[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835025787 634324400 /nfs/dbraw/zinc/32/44/00/634324400.db2.gz NJHFBHGMMJCJPI-GXMNPTEKSA-N 1 1 258.409 3.496 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)[C@H]2CCSC2)cc1 ZINC000835026362 634326070 /nfs/dbraw/zinc/32/60/70/634326070.db2.gz VQBNLNZIFRISRL-AWFCHZOYSA-N 1 1 276.449 3.203 20 10 CGCDMO Cc1ncc(C[N@H+](C)Cc2ccc(C)cc2O)s1 ZINC000876622170 634869784 /nfs/dbraw/zinc/86/97/84/634869784.db2.gz CIWUBZCHZJILAB-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO CCC[N@@H+](CCC[C@@H]1CCO1)Cc1ccccc1O ZINC000876654672 634875624 /nfs/dbraw/zinc/87/56/24/634875624.db2.gz LSYBGOQPZHOMFU-OAHLLOKOSA-N 1 1 263.381 3.173 20 10 CGCDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876807403 634903457 /nfs/dbraw/zinc/90/34/57/634903457.db2.gz CROCNFOETFMPQH-GASCZTMLSA-N 1 1 288.435 3.021 20 10 CGCDMO Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c(O)c1 ZINC000877487380 635055904 /nfs/dbraw/zinc/05/59/04/635055904.db2.gz UADAYGMYGADVRP-ZYHUDNBSSA-N 1 1 273.298 3.473 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC(F)(F)[C@H](C)C2)c(O)c1 ZINC000877538826 635078611 /nfs/dbraw/zinc/07/86/11/635078611.db2.gz HGGCCICQLKMVIX-LLVKDONJSA-N 1 1 255.308 3.178 20 10 CGCDMO CSC[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1C ZINC000840916990 635082311 /nfs/dbraw/zinc/08/23/11/635082311.db2.gz MRLSCDWRBAHGGV-INIZCTEOSA-N 1 1 278.465 3.388 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c(Cl)c1 ZINC000840917750 635082536 /nfs/dbraw/zinc/08/25/36/635082536.db2.gz MEABOKBMVOQSMQ-RYUDHWBXSA-N 1 1 283.799 3.089 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCCOC(C)(C)C1 ZINC000840918298 635082885 /nfs/dbraw/zinc/08/28/85/635082885.db2.gz RSUULXUQWXURCT-UHFFFAOYSA-N 1 1 276.424 3.062 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000840919465 635083317 /nfs/dbraw/zinc/08/33/17/635083317.db2.gz GTMLNJBELJOWEI-AEFFLSMTSA-N 1 1 288.435 3.062 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@]2(C)CCCO)c(Cl)c1 ZINC000840948733 635091206 /nfs/dbraw/zinc/09/12/06/635091206.db2.gz JTXQFHNIUUGVHH-INIZCTEOSA-N 1 1 297.826 3.481 20 10 CGCDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000840969182 635095958 /nfs/dbraw/zinc/09/59/58/635095958.db2.gz CCQGLEBZDMHHFF-OAHLLOKOSA-N 1 1 288.435 3.144 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@@H](C3CCC3)C2)c1O ZINC000840979549 635099763 /nfs/dbraw/zinc/09/97/63/635099763.db2.gz XBVNFWGDSWJGSV-CQSZACIVSA-N 1 1 275.392 3.413 20 10 CGCDMO CN(C)c1ccc(/C=C/CNC[C@H]([NH3+])c2ccccc2)cc1 ZINC000841035412 635110955 /nfs/dbraw/zinc/11/09/55/635110955.db2.gz GXGUMGIXXULZDE-GHOSXJJBSA-N 1 1 295.430 3.055 20 10 CGCDMO CCOc1ccc(C[N@H+]2Cc3cccc(O)c3C2)cc1 ZINC000877703511 635155255 /nfs/dbraw/zinc/15/52/55/635155255.db2.gz MPOBBXBCDLIQKX-UHFFFAOYSA-N 1 1 269.344 3.307 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@H+]2Cc3cccc(O)c3C2)cc1 ZINC000877703285 635155903 /nfs/dbraw/zinc/15/59/03/635155903.db2.gz ZZJHRQQVMANSTK-PLNGDYQASA-N 1 1 294.398 3.487 20 10 CGCDMO CCOc1ccc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)c(O)c1 ZINC000877719110 635164086 /nfs/dbraw/zinc/16/40/86/635164086.db2.gz ILPHTPWLDKEFRZ-OKILXGFUSA-N 1 1 273.376 3.189 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000877811943 635214483 /nfs/dbraw/zinc/21/44/83/635214483.db2.gz CSFULWRWIMXERW-ZDUSSCGKSA-N 1 1 289.297 3.175 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(Cl)cc1O ZINC000841744776 635221962 /nfs/dbraw/zinc/22/19/62/635221962.db2.gz LAQDAKJSDGCKEU-QWRGUYRKSA-N 1 1 269.772 3.123 20 10 CGCDMO CC(C)(O)[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000877836225 635237007 /nfs/dbraw/zinc/23/70/07/635237007.db2.gz QEXTUDDXUMJWPE-OAHLLOKOSA-N 1 1 285.387 3.138 20 10 CGCDMO CC[C@@H](C[N@@H+](Cc1ccco1)Cc1ccccc1O)OC ZINC000842152861 635296544 /nfs/dbraw/zinc/29/65/44/635296544.db2.gz JCQYMHFZXUXYCD-HNNXBMFYSA-N 1 1 289.375 3.412 20 10 CGCDMO CCCCC[N@@H+](CCO)Cc1c(O)cccc1Cl ZINC000126885458 635351189 /nfs/dbraw/zinc/35/11/89/635351189.db2.gz QIKPAKNQFRELPL-UHFFFAOYSA-N 1 1 271.788 3.030 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H](C)O1 ZINC000126883692 635351366 /nfs/dbraw/zinc/35/13/66/635351366.db2.gz KVGBIAJIBWJBEH-IYBDPMFKSA-N 1 1 288.435 3.286 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H]1CCO[C@H]1C ZINC000878150424 635380349 /nfs/dbraw/zinc/38/03/49/635380349.db2.gz DCHPKFQNWPQRKZ-KBPBESRZSA-N 1 1 263.381 3.029 20 10 CGCDMO CC(C)[C@H]([NH3+])CCN(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000843056502 635553424 /nfs/dbraw/zinc/55/34/24/635553424.db2.gz OCAKMIYMKQGOHG-IPLHWJFFSA-N 1 1 289.467 3.071 20 10 CGCDMO Cc1cccc(C[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)c1O ZINC000843435674 635675797 /nfs/dbraw/zinc/67/57/97/635675797.db2.gz XCVJDLBNSNPABC-CQSZACIVSA-N 1 1 275.392 3.234 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(C)cc2O)[C@@H](CC)CO1 ZINC000844722939 635957555 /nfs/dbraw/zinc/95/75/55/635957555.db2.gz JQWMSDQVIYINBI-LSDHHAIUSA-N 1 1 293.407 3.099 20 10 CGCDMO CC(C)C[N@H+](C)CCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000845997200 636127502 /nfs/dbraw/zinc/12/75/02/636127502.db2.gz WYTMXARCIJXCRM-UHFFFAOYSA-N 1 1 284.831 3.113 20 10 CGCDMO CC(C)C[N@@H+](C)CCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000845997200 636127505 /nfs/dbraw/zinc/12/75/05/636127505.db2.gz WYTMXARCIJXCRM-UHFFFAOYSA-N 1 1 284.831 3.113 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c1O ZINC000846106420 636144061 /nfs/dbraw/zinc/14/40/61/636144061.db2.gz BBLKQHFDQCRNNT-OAHLLOKOSA-N 1 1 297.345 3.412 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c(O)c1 ZINC000846117091 636146764 /nfs/dbraw/zinc/14/67/64/636146764.db2.gz MVIMCNHOYIFAGN-CQSZACIVSA-N 1 1 283.318 3.022 20 10 CGCDMO COc1cccc([C@@H](C)Nc2cc(C)cc[nH+]2)c1O ZINC000846160193 636151256 /nfs/dbraw/zinc/15/12/56/636151256.db2.gz UKBJAJUTACFMNV-LLVKDONJSA-N 1 1 258.321 3.277 20 10 CGCDMO Cn1cccc1C[N@@H+](C)Cc1c(O)cccc1Cl ZINC000129340279 636219435 /nfs/dbraw/zinc/21/94/35/636219435.db2.gz LFSFWZRTIZEOOR-UHFFFAOYSA-N 1 1 264.756 3.016 20 10 CGCDMO COCC1([NH2+]Cc2cc(F)cc(F)c2O)CCCCC1 ZINC000883183226 636570119 /nfs/dbraw/zinc/57/01/19/636570119.db2.gz WKECZADBZNRLDC-UHFFFAOYSA-N 1 1 285.334 3.109 20 10 CGCDMO CC(C)([NH2+]Cc1cc(F)cc(F)c1O)[C@@H]1CCCCO1 ZINC000883195813 636578593 /nfs/dbraw/zinc/57/85/93/636578593.db2.gz CQRMAZLSPMDAGI-ZDUSSCGKSA-N 1 1 285.334 3.108 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000883199723 636581342 /nfs/dbraw/zinc/58/13/42/636581342.db2.gz NJGSIDOALNWDTH-AWEZNQCLSA-N 1 1 297.345 3.252 20 10 CGCDMO CCc1cccc(C[N@H+](Cc2ccccc2)C[C@@H](C)O)c1O ZINC000848882591 636671658 /nfs/dbraw/zinc/67/16/58/636671658.db2.gz VIUMDYAVSGPWTD-OAHLLOKOSA-N 1 1 299.414 3.338 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@]3(CCCOC3)C2)c1O ZINC000848887887 636677123 /nfs/dbraw/zinc/67/71/23/636677123.db2.gz HFNHQLQHKOUCNJ-SFHVURJKSA-N 1 1 289.419 3.347 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@H](OC(F)F)C2)c1O ZINC000848903255 636682524 /nfs/dbraw/zinc/68/25/24/636682524.db2.gz ZYKWZDCZXSTCCG-ZDUSSCGKSA-N 1 1 285.334 3.158 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1O ZINC000848907641 636685024 /nfs/dbraw/zinc/68/50/24/636685024.db2.gz QQRYNLTZWKSMON-QGZVFWFLSA-N 1 1 298.386 3.003 20 10 CGCDMO COc1cc(C[NH2+]CC(C)(F)F)c(O)c(C(C)(C)C)c1 ZINC000850311562 637014666 /nfs/dbraw/zinc/01/46/66/637014666.db2.gz USNRDZSJURMYQF-UHFFFAOYSA-N 1 1 287.350 3.443 20 10 CGCDMO CC(C)(C)OCCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000850371503 637035029 /nfs/dbraw/zinc/03/50/29/637035029.db2.gz XKPHICQFPBLFMH-UHFFFAOYSA-N 1 1 289.778 3.480 20 10 CGCDMO CC[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccc(F)cc1O ZINC000850523866 637103417 /nfs/dbraw/zinc/10/34/17/637103417.db2.gz QGSBKKONCOLCDB-TZMCWYRMSA-N 1 1 279.355 3.284 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1c(O)cccc1F ZINC000886496706 637542139 /nfs/dbraw/zinc/54/21/39/637542139.db2.gz DLPUDCWDTAGWMO-WDEREUQCSA-N 1 1 263.312 3.406 20 10 CGCDMO C[C@@H](O)c1ccc(C[NH2+][C@@H](C)c2c(O)cccc2F)cc1 ZINC000886510862 637547779 /nfs/dbraw/zinc/54/77/79/637547779.db2.gz BGWDCQKJNXORGY-NWDGAFQWSA-N 1 1 289.350 3.435 20 10 CGCDMO Cc1nc(C)c(CC[NH2+][C@@H](C)c2c(O)cccc2F)s1 ZINC000886524018 637550524 /nfs/dbraw/zinc/55/05/24/637550524.db2.gz ATLIULDYQGVWEK-JTQLQIEISA-N 1 1 294.395 3.498 20 10 CGCDMO Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886526256 637552874 /nfs/dbraw/zinc/55/28/74/637552874.db2.gz IFJDZEUSXNTFOY-BLLLJJGKSA-N 1 1 289.350 3.224 20 10 CGCDMO CSc1cc(C[NH2+][C@H](C)c2c(O)cccc2F)ccn1 ZINC000886543579 637568869 /nfs/dbraw/zinc/56/88/69/637568869.db2.gz QTSYPAKSUZCZNB-SNVBAGLBSA-N 1 1 292.379 3.499 20 10 CGCDMO COCCc1cc[nH+]c(N[C@H](C)c2c(O)cccc2F)c1 ZINC000886609590 637603037 /nfs/dbraw/zinc/60/30/37/637603037.db2.gz WWWWUBXMSDDNRJ-LLVKDONJSA-N 1 1 290.338 3.288 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)[C@H](O)c1ccccc1 ZINC000886610460 637603645 /nfs/dbraw/zinc/60/36/45/637603645.db2.gz BRLHRVAOQOBUMS-JKDFXYPNSA-N 1 1 289.350 3.304 20 10 CGCDMO C[C@H]([NH2+]CC1CC(F)(F)C1)c1c(O)cccc1F ZINC000886614524 637605818 /nfs/dbraw/zinc/60/58/18/637605818.db2.gz ZTGAGVNURRZEOF-QMMMGPOBSA-N 1 1 259.271 3.227 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1c(O)cccc1F ZINC000886638563 637623756 /nfs/dbraw/zinc/62/37/56/637623756.db2.gz WZXSCVSAYKSIMB-WOPDTQHZSA-N 1 1 267.344 3.140 20 10 CGCDMO Oc1c(F)cccc1C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857065634 638448342 /nfs/dbraw/zinc/44/83/42/638448342.db2.gz RVNQUJNRTXIKKJ-VIFPVBQESA-N 1 1 278.154 3.205 20 10 CGCDMO Cc1ccc(NCc2cc(F)c(N(C)C)cc2F)[nH+]c1 ZINC000858101254 638628353 /nfs/dbraw/zinc/62/83/53/638628353.db2.gz GERGPCWDQOXFPL-UHFFFAOYSA-N 1 1 277.318 3.346 20 10 CGCDMO CC(C)[C@H]([NH2+][C@H](C)c1c(O)cccc1F)c1cnn(C)c1 ZINC000927066966 638837209 /nfs/dbraw/zinc/83/72/09/638837209.db2.gz PLUDLPCVKUXTMK-BZNIZROVSA-N 1 1 291.370 3.313 20 10 CGCDMO C[C@@H]([NH2+]Cc1cccc2c1OCC2)c1c(O)cccc1F ZINC000927089347 638840036 /nfs/dbraw/zinc/84/00/36/638840036.db2.gz ADUYOQIAVCEFLJ-LLVKDONJSA-N 1 1 287.334 3.317 20 10 CGCDMO COC[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)C(C)C ZINC000927096033 638841330 /nfs/dbraw/zinc/84/13/30/638841330.db2.gz IUYFBHVJMNTOIG-RYUDHWBXSA-N 1 1 269.360 3.101 20 10 CGCDMO C[C@@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1cc(F)cc(F)c1O ZINC000927160048 638848892 /nfs/dbraw/zinc/84/88/92/638848892.db2.gz KOURAWFRMZMAJF-QMTHXVAHSA-N 1 1 297.345 3.423 20 10 CGCDMO CCOCC[N@@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000194565125 640539918 /nfs/dbraw/zinc/53/99/18/640539918.db2.gz KNLUMTNBDRLRGS-UHFFFAOYSA-N 1 1 264.413 3.001 20 10 CGCDMO C[C@@H]([N@@H+](C)Cc1ccc(N2CCOCC2)cc1)C1(C)CC1 ZINC000091900544 640725881 /nfs/dbraw/zinc/72/58/81/640725881.db2.gz QPVZLMHBSBNSKK-OAHLLOKOSA-N 1 1 288.435 3.144 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1 ZINC000248376084 640754081 /nfs/dbraw/zinc/75/40/81/640754081.db2.gz ZDTOCLVRQXSXHO-RCBQFDQVSA-N 1 1 275.392 3.411 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)[C@H]2CCCC[C@@H]12 ZINC000248410053 640757464 /nfs/dbraw/zinc/75/74/64/640757464.db2.gz DAKBWXDPCQLIFZ-XBFCOCLRSA-N 1 1 289.375 3.131 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)c1 ZINC000093324854 640768406 /nfs/dbraw/zinc/76/84/06/640768406.db2.gz FBLHZIQXOJTGAP-CQSZACIVSA-N 1 1 285.387 3.469 20 10 CGCDMO COC(=O)C1([N@@H+](C)Cc2cc(C)ccc2O)CCCCC1 ZINC000093359792 640769733 /nfs/dbraw/zinc/76/97/33/640769733.db2.gz PJEAVPSWCXGDSJ-UHFFFAOYSA-N 1 1 291.391 3.008 20 10 CGCDMO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1C ZINC000093480864 640772830 /nfs/dbraw/zinc/77/28/30/640772830.db2.gz GMOOHUUEBIRNQQ-HOTGVXAUSA-N 1 1 288.435 3.001 20 10 CGCDMO CN1CCC[C@@H]([NH2+]Cc2cc3ccccc3cc2O)CC1 ZINC001254508139 806428822 /nfs/dbraw/zinc/42/88/22/806428822.db2.gz HBWLQBMSJKBKPW-QGZVFWFLSA-N 1 1 284.403 3.119 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@H](C)OC[C@@H]2C)cc1C(C)C ZINC000045723094 798891156 /nfs/dbraw/zinc/89/11/56/798891156.db2.gz IOTYHAKAFMYRJL-KBPBESRZSA-N 1 1 277.408 3.433 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1O ZINC000087778607 798947619 /nfs/dbraw/zinc/94/76/19/798947619.db2.gz FPYGXRLBWWGRPP-LRDDRELGSA-N 1 1 291.366 3.498 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1O ZINC000087778607 798947626 /nfs/dbraw/zinc/94/76/26/798947626.db2.gz FPYGXRLBWWGRPP-LRDDRELGSA-N 1 1 291.366 3.498 20 10 CGCDMO COc1ccc(C[N@H+]2CCc3ccc(F)cc3C2)c(O)c1 ZINC000093383832 798963223 /nfs/dbraw/zinc/96/32/23/798963223.db2.gz AYIRJTWFWOWHLV-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCc3sccc3C2)cc1 ZINC000128509527 799018488 /nfs/dbraw/zinc/01/84/88/799018488.db2.gz UXFWGADXVOKSRI-UHFFFAOYSA-N 1 1 272.417 3.372 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](C)CC2(C)C)c1O ZINC000380367838 799362322 /nfs/dbraw/zinc/36/23/22/799362322.db2.gz 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CC(C)(C)c1cccc(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c1O ZINC001143111874 804803295 /nfs/dbraw/zinc/80/32/95/804803295.db2.gz HEKUMYJZNMVZJE-ZSOGYDGISA-N 1 1 277.383 3.337 20 10 CGCDMO CCC[N@H+](C)Cc1cc(Br)c(F)cc1O ZINC001144298998 804970767 /nfs/dbraw/zinc/97/07/67/804970767.db2.gz OGVPSLLRISKVRM-UHFFFAOYSA-N 1 1 276.149 3.136 20 10 CGCDMO CCC[N@@H+](C)Cc1cc(Br)c(F)cc1O ZINC001144298998 804970768 /nfs/dbraw/zinc/97/07/68/804970768.db2.gz OGVPSLLRISKVRM-UHFFFAOYSA-N 1 1 276.149 3.136 20 10 CGCDMO CC(C)[N@@H+](Cc1ccccc1)Cc1c(O)cc(O)cc1O ZINC001144499860 804996425 /nfs/dbraw/zinc/99/64/25/804996425.db2.gz MKHGVDIBUJJATK-UHFFFAOYSA-N 1 1 287.359 3.214 20 10 CGCDMO Cc1cc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)cs1 ZINC001248803997 804997701 /nfs/dbraw/zinc/99/77/01/804997701.db2.gz HOAGCCYNMRJIDN-UHFFFAOYSA-N 1 1 289.400 3.416 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C[C@@H]1F ZINC001249223237 805115749 /nfs/dbraw/zinc/11/57/49/805115749.db2.gz BYSHHYDIDNFMSG-RISCZKNCSA-N 1 1 291.366 3.366 20 10 CGCDMO CCOCC[C@@H](C)[N@@H+](CC)Cc1ccccc1O ZINC001172434506 808311846 /nfs/dbraw/zinc/31/18/46/808311846.db2.gz XQXOKABRLCDLSM-CYBMUJFWSA-N 1 1 251.370 3.029 20 10 CGCDMO COc1ccc(Nc2cc[nH+]c3ccccc23)c(O)c1 ZINC001174039981 808838952 /nfs/dbraw/zinc/83/89/52/808838952.db2.gz LRQCLZDEGAHCLX-UHFFFAOYSA-N 1 1 266.300 3.115 20 10 CGCDMO CC(C)(C)C[N@H+](CCCO)Cc1ccc(Cl)cc1O ZINC001180007314 809967432 /nfs/dbraw/zinc/96/74/32/809967432.db2.gz VEYACHIYACPFFA-UHFFFAOYSA-N 1 1 285.815 3.276 20 10 CGCDMO CC(C)(C)C[N@@H+](CCCO)Cc1ccc(Cl)cc1O ZINC001180007314 809967434 /nfs/dbraw/zinc/96/74/34/809967434.db2.gz VEYACHIYACPFFA-UHFFFAOYSA-N 1 1 285.815 3.276 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC001183920239 810169625 /nfs/dbraw/zinc/16/96/25/810169625.db2.gz VWYYETJJLHRDCR-ZIAGYGMSSA-N 1 1 271.335 3.425 20 10 CGCDMO CSCC[N@@H+](C)Cc1ccc(C(C)C)cc1O ZINC001237056746 819653552 /nfs/dbraw/zinc/65/35/52/819653552.db2.gz ZISGTGFQNPGXSD-UHFFFAOYSA-N 1 1 253.411 3.310 20 10 CGCDMO C[N@@H+](CC/C=C/c1cccnc1)Cc1ccccc1O ZINC001203558523 812392757 /nfs/dbraw/zinc/39/27/57/812392757.db2.gz LSOKGNILZYBJKT-QPJJXVBHSA-N 1 1 268.360 3.323 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c1O ZINC001203589083 812402026 /nfs/dbraw/zinc/40/20/26/812402026.db2.gz DDKBHKMLNMISNN-OLZOCXBDSA-N 1 1 261.365 3.023 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@](C)(F)CC2)c(O)c1 ZINC001203621292 812409021 /nfs/dbraw/zinc/40/90/21/812409021.db2.gz RSGWCWUYUXWTQK-HNNXBMFYSA-N 1 1 267.344 3.115 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@@](C)(F)CC2)c(O)c1 ZINC001203621293 812409504 /nfs/dbraw/zinc/40/95/04/812409504.db2.gz RSGWCWUYUXWTQK-OAHLLOKOSA-N 1 1 267.344 3.115 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(C)nc2)c(O)c1 ZINC001203629238 812411207 /nfs/dbraw/zinc/41/12/07/812411207.db2.gz UBRRRBNHUFOVAH-QGZVFWFLSA-N 1 1 298.386 3.441 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C2CCOCC2)cc1 ZINC001203936757 812496182 /nfs/dbraw/zinc/49/61/82/812496182.db2.gz MLGHSXZOGSLNLS-UHFFFAOYSA-N 1 1 276.424 3.144 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@](C)(O)[C@H](C)C2)cc1 ZINC001203939972 812497358 /nfs/dbraw/zinc/49/73/58/812497358.db2.gz HCPROBSAODOHIN-CRAIPNDOSA-N 1 1 290.451 3.126 20 10 CGCDMO CN(C)c1ccc(C[N@H+](C)CC(=O)c2ccccc2)cc1 ZINC001203937911 812497564 /nfs/dbraw/zinc/49/75/64/812497564.db2.gz YXDFUQFHXBMLQZ-UHFFFAOYSA-N 1 1 282.387 3.067 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)CC(=O)c2ccccc2)cc1 ZINC001203937911 812497567 /nfs/dbraw/zinc/49/75/67/812497567.db2.gz YXDFUQFHXBMLQZ-UHFFFAOYSA-N 1 1 282.387 3.067 20 10 CGCDMO CC[N@@H+](CCN(C)C)Cc1ccc(N(C)C)c2ccccc12 ZINC001204233239 812580313 /nfs/dbraw/zinc/58/03/13/812580313.db2.gz PFZRXGYECVVVDJ-UHFFFAOYSA-N 1 1 299.462 3.289 20 10 CGCDMO CCN(CC[NH+](C)C)Cc1ccc(N(C)C)c2ccccc12 ZINC001204233239 812580317 /nfs/dbraw/zinc/58/03/17/812580317.db2.gz PFZRXGYECVVVDJ-UHFFFAOYSA-N 1 1 299.462 3.289 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C[C@@H]1O ZINC001204234068 812581291 /nfs/dbraw/zinc/58/12/91/812581291.db2.gz WOWRYCBOZIEDDV-KUHUBIRLSA-N 1 1 298.430 3.109 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CC[C@H](C(C)C)C2)c(O)c1 ZINC001204388401 812626281 /nfs/dbraw/zinc/62/62/81/812626281.db2.gz BUTCMAATPIJSFX-ZDUSSCGKSA-N 1 1 263.381 3.187 20 10 CGCDMO C[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])CC[C@@H]1C[NH3+] ZINC001205638445 813035791 /nfs/dbraw/zinc/03/57/91/813035791.db2.gz NXJHVFKOZMBQMM-GOEBONIOSA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])CC[C@@H]1C[NH3+] ZINC001205638445 813035799 /nfs/dbraw/zinc/03/57/99/813035799.db2.gz NXJHVFKOZMBQMM-GOEBONIOSA-N 1 1 298.430 3.352 20 10 CGCDMO Oc1cc(Cl)ccc1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC001206537690 813342157 /nfs/dbraw/zinc/34/21/57/813342157.db2.gz MEBGWZFJSVQLLG-XHVZSJERSA-N 1 1 251.757 3.324 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@H]2CCOC(C)(C)C2)cc1 ZINC001207367797 813551928 /nfs/dbraw/zinc/55/19/28/813551928.db2.gz VWAWURHMPUQGKZ-INIZCTEOSA-N 1 1 290.451 3.390 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[NH+]2CC3(C2)CCCO3)cc1 ZINC001209516796 814070719 /nfs/dbraw/zinc/07/07/19/814070719.db2.gz OYSUIDUXPDFLRP-UHFFFAOYSA-N 1 1 296.414 3.459 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC001209516160 814071021 /nfs/dbraw/zinc/07/10/21/814071021.db2.gz BGNUPTXWHVLSTH-KDURUIRLSA-N 1 1 296.414 3.457 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCOC[C@H]2C)cc1 ZINC001209516677 814071631 /nfs/dbraw/zinc/07/16/31/814071631.db2.gz LPFAYIOYTILVMN-MRXNPFEDSA-N 1 1 284.403 3.315 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@H]3OCC[C@H]32)cc1 ZINC001209516531 814071823 /nfs/dbraw/zinc/07/18/23/814071823.db2.gz JRDNSMDSAKIJHF-RTBURBONSA-N 1 1 296.414 3.457 20 10 CGCDMO C[C@@H]1CNC[C@H](C)[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001209856973 814171954 /nfs/dbraw/zinc/17/19/54/814171954.db2.gz ZKKZBHUJTNAPJQ-GASCZTMLSA-N 1 1 297.446 3.088 20 10 CGCDMO C[C@@H]1CNC[C@H](C)[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001209856973 814171960 /nfs/dbraw/zinc/17/19/60/814171960.db2.gz ZKKZBHUJTNAPJQ-GASCZTMLSA-N 1 1 297.446 3.088 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cn1 ZINC001231655328 818148443 /nfs/dbraw/zinc/14/84/43/818148443.db2.gz CLLNIQJFHUGMHN-UHFFFAOYSA-N 1 1 299.418 3.178 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@@H+](C)Cc1ccccc1 ZINC001231848462 818187663 /nfs/dbraw/zinc/18/76/63/818187663.db2.gz HKPMHPJRABAPRQ-UHFFFAOYSA-N 1 1 284.403 3.393 20 10 CGCDMO Cc1cc(C)c(C[N@@H+](C)Cc2ccccc2O)c(O)c1 ZINC001231848127 818187706 /nfs/dbraw/zinc/18/77/06/818187706.db2.gz HVRMUNXXQGHZCQ-UHFFFAOYSA-N 1 1 271.360 3.347 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2c(C)cc(C)cc2O)CC1 ZINC001231846816 818187807 /nfs/dbraw/zinc/18/78/07/818187807.db2.gz PYGBXKBLONZGFX-CQSZACIVSA-N 1 1 263.381 3.010 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCC[C@H]2c2ncccn2)c(O)c1 ZINC001231850172 818188273 /nfs/dbraw/zinc/18/82/73/818188273.db2.gz LFHHVWAJDDAROF-HNNXBMFYSA-N 1 1 283.375 3.136 20 10 CGCDMO CC[N@@H+](Cc1cccnc1)Cc1ccc(N(C)C)cc1OC ZINC001231852969 818189513 /nfs/dbraw/zinc/18/95/13/818189513.db2.gz CRUTXCASXILSOR-UHFFFAOYSA-N 1 1 299.418 3.178 20 10 CGCDMO CC(=O)[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231881615 818198728 /nfs/dbraw/zinc/19/87/28/818198728.db2.gz YUFMMPZDZDGYKR-OAHLLOKOSA-N 1 1 283.371 3.346 20 10 CGCDMO Cc1ncccc1C[N@H+](C)Cc1cc(Cl)c(O)cc1O ZINC001232263121 818297164 /nfs/dbraw/zinc/29/71/64/818297164.db2.gz HPGWBJWKMDABKT-UHFFFAOYSA-N 1 1 292.766 3.087 20 10 CGCDMO Oc1cccc2c1C[N@H+](Cc1nc3ccccc3o1)CC2 ZINC001232558970 818385966 /nfs/dbraw/zinc/38/59/66/818385966.db2.gz FKOOOWYKMAZRBB-UHFFFAOYSA-N 1 1 280.327 3.092 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1nc3ccccc3o1)CC2 ZINC001232558970 818385971 /nfs/dbraw/zinc/38/59/71/818385971.db2.gz FKOOOWYKMAZRBB-UHFFFAOYSA-N 1 1 280.327 3.092 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1ccccc1NC ZINC001232672538 818415343 /nfs/dbraw/zinc/41/53/43/818415343.db2.gz FFGUYYSOMXNSQJ-UHFFFAOYSA-N 1 1 270.376 3.456 20 10 CGCDMO C[N@H+](Cc1ccc(Cl)cc1)Cc1cc(O)c(O)c(O)c1 ZINC001233012580 818501160 /nfs/dbraw/zinc/50/11/60/818501160.db2.gz KXSLHWHPFHEEEU-UHFFFAOYSA-N 1 1 293.750 3.089 20 10 CGCDMO C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(O)c(O)c(O)c1 ZINC001233012580 818501164 /nfs/dbraw/zinc/50/11/64/818501164.db2.gz KXSLHWHPFHEEEU-UHFFFAOYSA-N 1 1 293.750 3.089 20 10 CGCDMO [O-]c1c(C[N@H+]2CC[C@H](F)C(F)(F)CC2)ccc(F)c1F ZINC001233074829 818516622 /nfs/dbraw/zinc/51/66/22/818516622.db2.gz XRXXXUUNNLEADO-JTQLQIEISA-N 1 1 295.251 3.240 20 10 CGCDMO C[C@]1(F)CCCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233073634 818518119 /nfs/dbraw/zinc/51/81/19/818518119.db2.gz BMVREFRAPZQAQG-AWEZNQCLSA-N 1 1 273.298 3.385 20 10 CGCDMO C[N@@H+](Cc1cc(C(C)(C)C)ccc1O)[C@H]1CC[C@H](O)CC1 ZINC001233284250 818566510 /nfs/dbraw/zinc/56/65/10/818566510.db2.gz NNLRPHJVSHQABN-WKILWMFISA-N 1 1 291.435 3.425 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)[C@H]1CO ZINC001233284549 818568159 /nfs/dbraw/zinc/56/81/59/818568159.db2.gz ZCUUTHVQMFSKFJ-BBRMVZONSA-N 1 1 291.435 3.283 20 10 CGCDMO CCOC(=O)C[N@H+](CC)Cc1cc(C(C)(C)C)ccc1O ZINC001233286945 818568224 /nfs/dbraw/zinc/56/82/24/818568224.db2.gz POBHMFRSCPBIIE-UHFFFAOYSA-N 1 1 293.407 3.075 20 10 CGCDMO CCOC(=O)C[N@@H+](CC)Cc1cc(C(C)(C)C)ccc1O ZINC001233286945 818568233 /nfs/dbraw/zinc/56/82/33/818568233.db2.gz POBHMFRSCPBIIE-UHFFFAOYSA-N 1 1 293.407 3.075 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](F)CC2)c1O ZINC001233287896 818570131 /nfs/dbraw/zinc/57/01/31/818570131.db2.gz LTNFWAVMDOVART-LBPRGKRZSA-N 1 1 287.762 3.378 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2c(O)ccc(F)c2F)[C@H](C)C1 ZINC001233335402 818585864 /nfs/dbraw/zinc/58/58/64/818585864.db2.gz SZZBPJABPDKREU-NXEZZACHSA-N 1 1 255.308 3.291 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)ccc(F)c2F)[C@H](C)C1 ZINC001233335402 818585869 /nfs/dbraw/zinc/58/58/69/818585869.db2.gz SZZBPJABPDKREU-NXEZZACHSA-N 1 1 255.308 3.291 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CCC(=O)[C@H](F)CC2)c(O)c1 ZINC001235675919 819136305 /nfs/dbraw/zinc/13/63/05/819136305.db2.gz LZRMWIVMVYDJMS-CQSZACIVSA-N 1 1 293.382 3.193 20 10 CGCDMO CC(C)(C)c1ccc(C[N@@H+]2CCC(=O)[C@H](F)CC2)c(O)c1 ZINC001235675919 819136308 /nfs/dbraw/zinc/13/63/08/819136308.db2.gz LZRMWIVMVYDJMS-CQSZACIVSA-N 1 1 293.382 3.193 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2O)CCCC1=O ZINC001235677017 819136739 /nfs/dbraw/zinc/13/67/39/819136739.db2.gz ZVBDLSQYZKRBBW-ZDUSSCGKSA-N 1 1 289.419 3.491 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CCC[C@H](O)CC2)c(O)c1 ZINC001235675906 819137569 /nfs/dbraw/zinc/13/75/69/819137569.db2.gz LXXHHSHNJVINDT-HNNXBMFYSA-N 1 1 277.408 3.037 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2CCNCC2(C)C)c2ccccc21 ZINC001235822506 819175982 /nfs/dbraw/zinc/17/59/82/819175982.db2.gz JFGJLABWOXOPDI-UHFFFAOYSA-N 1 1 297.446 3.090 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCNCC2(C)C)c2ccccc21 ZINC001235822506 819175985 /nfs/dbraw/zinc/17/59/85/819175985.db2.gz JFGJLABWOXOPDI-UHFFFAOYSA-N 1 1 297.446 3.090 20 10 CGCDMO COc1cccc(CCC[N@@H+](C)Cc2ccc(N)cc2)c1 ZINC001236041833 819281183 /nfs/dbraw/zinc/28/11/83/819281183.db2.gz LNCYZLKLOHHANQ-UHFFFAOYSA-N 1 1 284.403 3.342 20 10 CGCDMO CCc1ccc(C[N@@H+](C)Cc2cnc3ccccn23)c(O)c1 ZINC001236782790 819593505 /nfs/dbraw/zinc/59/35/05/819593505.db2.gz DYUITYHJEGLVNO-UHFFFAOYSA-N 1 1 295.386 3.234 20 10 CGCDMO COc1cc(C)c(C[N@@H+]2Cc3cccc(F)c3C2)c(O)c1 ZINC001236809964 819603943 /nfs/dbraw/zinc/60/39/43/819603943.db2.gz ALRKYQTYSLSYAF-UHFFFAOYSA-N 1 1 287.334 3.364 20 10 CGCDMO COc1cc(C)c(C[N@H+]2Cc3cccc(F)c3C2)c(O)c1 ZINC001236809964 819603946 /nfs/dbraw/zinc/60/39/46/819603946.db2.gz ALRKYQTYSLSYAF-UHFFFAOYSA-N 1 1 287.334 3.364 20 10 CGCDMO CC(C)CN1CC[NH+](Cc2cc3ccccc3cc2O)CC1 ZINC001236830787 819611177 /nfs/dbraw/zinc/61/11/77/819611177.db2.gz RAOSJARRWGHDLK-UHFFFAOYSA-N 1 1 298.430 3.319 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001236830442 819611957 /nfs/dbraw/zinc/61/19/57/819611957.db2.gz ALXDCGBSCVIFRY-QAPCUYQASA-N 1 1 283.371 3.156 20 10 CGCDMO CN(C1CC1)[C@@H]1CC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236837127 819616266 /nfs/dbraw/zinc/61/62/66/819616266.db2.gz OWKGRMHAOLQQAL-GOSISDBHSA-N 1 1 296.414 3.214 20 10 CGCDMO C[N@H+](C1CC1)[C@@H]1CCN(Cc2cc3ccccc3cc2O)C1 ZINC001236837127 819616272 /nfs/dbraw/zinc/61/62/72/819616272.db2.gz OWKGRMHAOLQQAL-GOSISDBHSA-N 1 1 296.414 3.214 20 10 CGCDMO C[N@@H+](C1CC1)[C@@H]1CCN(Cc2cc3ccccc3cc2O)C1 ZINC001236837127 819616277 /nfs/dbraw/zinc/61/62/77/819616277.db2.gz OWKGRMHAOLQQAL-GOSISDBHSA-N 1 1 296.414 3.214 20 10 CGCDMO CC[N@H+](CCCN(C)C)Cc1cc2ccccc2cc1O ZINC001236837093 819616689 /nfs/dbraw/zinc/61/66/89/819616689.db2.gz NHBSBEYHSDIYRS-UHFFFAOYSA-N 1 1 286.419 3.319 20 10 CGCDMO CC[N@@H+](CCCN(C)C)Cc1cc2ccccc2cc1O ZINC001236837093 819616693 /nfs/dbraw/zinc/61/66/93/819616693.db2.gz NHBSBEYHSDIYRS-UHFFFAOYSA-N 1 1 286.419 3.319 20 10 CGCDMO C[N@H+](Cc1cc2ccccc2cc1O)CC1CC[NH+](C)CC1 ZINC001236841432 819618629 /nfs/dbraw/zinc/61/86/29/819618629.db2.gz KBAOWOHVGVEVCP-UHFFFAOYSA-N 1 1 298.430 3.319 20 10 CGCDMO C[N@@H+](Cc1cc2ccccc2cc1[O-])CC1CC[NH+](C)CC1 ZINC001236841432 819618634 /nfs/dbraw/zinc/61/86/34/819618634.db2.gz KBAOWOHVGVEVCP-UHFFFAOYSA-N 1 1 298.430 3.319 20 10 CGCDMO C[N@H+](Cc1cc2ccccc2cc1[O-])CC1CC[NH+](C)CC1 ZINC001236841432 819618637 /nfs/dbraw/zinc/61/86/37/819618637.db2.gz KBAOWOHVGVEVCP-UHFFFAOYSA-N 1 1 298.430 3.319 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1Cl)C(C)(C)C ZINC001236920325 819636359 /nfs/dbraw/zinc/63/63/59/819636359.db2.gz FOQXGWKIHXZYAY-UHFFFAOYSA-N 1 1 296.842 3.407 20 10 CGCDMO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccc(C(C)C)cc1O ZINC001237046975 819650861 /nfs/dbraw/zinc/65/08/61/819650861.db2.gz YAIJPZIVOHQTME-QGZVFWFLSA-N 1 1 291.391 3.043 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@](C)(O)CC2)c(O)c1 ZINC001237047022 819651225 /nfs/dbraw/zinc/65/12/25/819651225.db2.gz YQNBHQDHOOGQJX-RDTXWAMCSA-N 1 1 291.435 3.499 20 10 CGCDMO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C(C)C)cc1O ZINC001237046716 819651294 /nfs/dbraw/zinc/65/12/94/819651294.db2.gz WKFSVGPURBSVMZ-HNNXBMFYSA-N 1 1 291.391 3.043 20 10 CGCDMO COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(C(C)C)cc1O ZINC001237046716 819651297 /nfs/dbraw/zinc/65/12/97/819651297.db2.gz WKFSVGPURBSVMZ-HNNXBMFYSA-N 1 1 291.391 3.043 20 10 CGCDMO CCO[C@@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237124452 819672841 /nfs/dbraw/zinc/67/28/41/819672841.db2.gz LUSGMCZUKJJQJF-SNVBAGLBSA-N 1 1 287.762 3.186 20 10 CGCDMO C[N@H+](Cc1c(O)ccc(F)c1Cl)C[C@@H]1CCCCO1 ZINC001237127076 819673610 /nfs/dbraw/zinc/67/36/10/819673610.db2.gz UEJBSRXJTNBCDS-JTQLQIEISA-N 1 1 287.762 3.186 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCOC[C@H]1Cc1ccccc1 ZINC001237493751 819763701 /nfs/dbraw/zinc/76/37/01/819763701.db2.gz DDXNIHCJEMZMFC-QGZVFWFLSA-N 1 1 297.398 3.144 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@H](F)C[C@H]2C)c1O ZINC001237680666 819807288 /nfs/dbraw/zinc/80/72/88/819807288.db2.gz GRNUSKVXPODFKL-BXKDBHETSA-N 1 1 257.736 3.286 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@H]2c2ccccc2)c(O)c(OC)c1 ZINC001237679470 819807517 /nfs/dbraw/zinc/80/75/17/819807517.db2.gz VNPBFMRPPXOZAA-INIZCTEOSA-N 1 1 299.370 3.356 20 10 CGCDMO CC1(C)C[N@H+](Cc2cc(F)c(Cl)cc2O)CCCO1 ZINC001237936992 819887685 /nfs/dbraw/zinc/88/76/85/819887685.db2.gz MWYBUXQKFGMGOV-UHFFFAOYSA-N 1 1 287.762 3.186 20 10 CGCDMO CC1(C)C[N@@H+](Cc2cc(F)c(Cl)cc2O)CCCO1 ZINC001237936992 819887693 /nfs/dbraw/zinc/88/76/93/819887693.db2.gz MWYBUXQKFGMGOV-UHFFFAOYSA-N 1 1 287.762 3.186 20 10 CGCDMO COc1cccc2c1C[N@H+](Cc1cc(F)cc(C)c1O)C2 ZINC001238069875 819924247 /nfs/dbraw/zinc/92/42/47/819924247.db2.gz KWJINHHJTVSTRS-UHFFFAOYSA-N 1 1 287.334 3.364 20 10 CGCDMO COc1cccc2c1C[N@@H+](Cc1cc(F)cc(C)c1O)C2 ZINC001238069875 819924253 /nfs/dbraw/zinc/92/42/53/819924253.db2.gz KWJINHHJTVSTRS-UHFFFAOYSA-N 1 1 287.334 3.364 20 10 CGCDMO CCOc1cc(C)c(-c2[nH+]ccc3c2ccn3C)cn1 ZINC001238972643 820174489 /nfs/dbraw/zinc/17/44/89/820174489.db2.gz SMAHLJDHNIVOEW-UHFFFAOYSA-N 1 1 267.332 3.342 20 10 CGCDMO c1cc(N2CCCC2)ccc1CN[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001348514122 936924440 /nfs/dbraw/zinc/92/44/40/936924440.db2.gz ASYTZPUZKAUMDW-QGZVFWFLSA-N 1 1 299.462 3.051 20 10 CGCDMO Cc1ccc[nH+]c1NCc1c(O)cccc1Br ZINC001461068944 937561982 /nfs/dbraw/zinc/56/19/82/937561982.db2.gz PGCXVZXNYVQTEL-UHFFFAOYSA-N 1 1 293.164 3.470 20 10 CGCDMO C[C@@H]1[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CCOC1(C)C ZINC001461961444 937609008 /nfs/dbraw/zinc/60/90/08/937609008.db2.gz RGZCJLUFPGIJOQ-LFAOLKIESA-N 1 1 288.435 3.265 20 10 CGCDMO Cc1nc2c(s1)[C@H]([NH2+]Cc1cccc(F)c1O)CCC2 ZINC001461990693 937610711 /nfs/dbraw/zinc/61/07/11/937610711.db2.gz YQYHJYKNKRGUPG-GFCCVEGCSA-N 1 1 292.379 3.463 20 10 CGCDMO COCC[N@H+](Cc1cc(F)cc(F)c1O)[C@@H]1CC[C@H](C)C1 ZINC001462173302 937622923 /nfs/dbraw/zinc/62/29/23/937622923.db2.gz BOIDWXYUPZKUSI-SMDDNHRTSA-N 1 1 299.361 3.307 20 10 CGCDMO COCC[N@@H+](Cc1cc(F)cc(F)c1O)[C@@H]1CC[C@H](C)C1 ZINC001462173302 937622925 /nfs/dbraw/zinc/62/29/25/937622925.db2.gz BOIDWXYUPZKUSI-SMDDNHRTSA-N 1 1 299.361 3.307 20 10 CGCDMO CCc1cccc(C[N@H+]2CCOCC23CCCCC3)c1O ZINC001462237845 937627084 /nfs/dbraw/zinc/62/70/84/937627084.db2.gz PKBPGOFRZCRTFT-UHFFFAOYSA-N 1 1 289.419 3.490 20 10 CGCDMO CC[C@@H](C)N1CC[NH+](Cc2cc(C(C)C)ccc2O)CC1 ZINC001462253117 937627494 /nfs/dbraw/zinc/62/74/94/937627494.db2.gz XRQKCRLSBVEEIP-OAHLLOKOSA-N 1 1 290.451 3.432 20 10 CGCDMO C[C@@H]1CC2(C[N@H+]1Cc1ccc(Cl)cc1O)CCOCC2 ZINC001462370307 937636369 /nfs/dbraw/zinc/63/63/69/937636369.db2.gz YGAPWUBDGIOTDM-GFCCVEGCSA-N 1 1 295.810 3.437 20 10 CGCDMO Cc1ccc(C[NH2+]Cc2cc(F)c(F)cc2O)c(Cl)n1 ZINC001462543595 937649246 /nfs/dbraw/zinc/64/92/46/937649246.db2.gz CGSQUYVIDXKSLR-UHFFFAOYSA-N 1 1 298.720 3.317 20 10 CGCDMO CC[C@H]([NH2+]Cc1c(O)cccc1F)[C@@H]1CC1(C)C ZINC001462595589 937652403 /nfs/dbraw/zinc/65/24/03/937652403.db2.gz VTUQEDHSTIOFBG-AAEUAGOBSA-N 1 1 251.345 3.446 20 10 CGCDMO CC[C@@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC001308632433 933146144 /nfs/dbraw/zinc/14/61/44/933146144.db2.gz ZXMYIPPQXYPVFL-XDWWLABZSA-N 1 1 288.435 3.265 20 10 CGCDMO CCC[N@H+](CC)C[C@@H](C)NCc1cccc(CC)c1O ZINC001308792971 933178225 /nfs/dbraw/zinc/17/82/25/933178225.db2.gz OGIHOTJPUXNDSM-CQSZACIVSA-N 1 1 278.440 3.165 20 10 CGCDMO CCC[N@@H+](CC)C[C@@H](C)NCc1cccc(CC)c1O ZINC001308792971 933178228 /nfs/dbraw/zinc/17/82/28/933178228.db2.gz OGIHOTJPUXNDSM-CQSZACIVSA-N 1 1 278.440 3.165 20 10 CGCDMO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1c(O)cccc1F ZINC001308947284 933209999 /nfs/dbraw/zinc/20/99/99/933209999.db2.gz BQUUXXBKLVNJND-NWDGAFQWSA-N 1 1 251.345 3.447 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001319681865 933913486 /nfs/dbraw/zinc/91/34/86/933913486.db2.gz LBFFJWUMDQQEDM-UONOGXRCSA-N 1 1 275.392 3.413 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001325290107 934901688 /nfs/dbraw/zinc/90/16/88/934901688.db2.gz SQLKXNZFDRCSGJ-SJLPKXTDSA-N 1 1 288.435 3.062 20 10 CGCDMO C[N@H+](Cc1ccc(N2CCCC2)cc1)CC1=CCCOC1 ZINC001333838872 936069930 /nfs/dbraw/zinc/06/99/30/936069930.db2.gz XQFVNBBOFFSBIB-UHFFFAOYSA-N 1 1 286.419 3.065 20 10 CGCDMO CC(C)c1ccc([C@@H]([NH3+])CNCc2ccc(N)cc2)cc1 ZINC001336286549 936186023 /nfs/dbraw/zinc/18/60/23/936186023.db2.gz RYMUVNQARXAGJU-SFHVURJKSA-N 1 1 283.419 3.182 20 10 CGCDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001336285008 936186317 /nfs/dbraw/zinc/18/63/17/936186317.db2.gz GFDLCMMBXUUGHD-OAHLLOKOSA-N 1 1 282.387 3.267 20 10 CGCDMO Nc1ccc(C[N@H+]2CCCC[C@H](C3CCOCC3)C2)cc1 ZINC001337838760 936293910 /nfs/dbraw/zinc/29/39/10/936293910.db2.gz SOZQPIHJBDFPMK-KRWDZBQOSA-N 1 1 288.435 3.298 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2C[C@H](C)N(C)C[C@H]2C)c1 ZINC001474463642 937861474 /nfs/dbraw/zinc/86/14/74/937861474.db2.gz TVUQJKMMJKDSJS-UONOGXRCSA-N 1 1 276.424 3.040 20 10 CGCDMO CC(C)c1ccc(O)c(CN2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC001474463642 937861477 /nfs/dbraw/zinc/86/14/77/937861477.db2.gz TVUQJKMMJKDSJS-UONOGXRCSA-N 1 1 276.424 3.040 20 10 CGCDMO CC(C)c1ccc(O)c(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC001474463642 937861479 /nfs/dbraw/zinc/86/14/79/937861479.db2.gz TVUQJKMMJKDSJS-UONOGXRCSA-N 1 1 276.424 3.040 20 10 CGCDMO COCC(C)(C)CC[NH2+]Cc1ccc(Cl)cc1O ZINC001474697322 937875756 /nfs/dbraw/zinc/87/57/56/937875756.db2.gz RQWHMWXKZIRPII-UHFFFAOYSA-N 1 1 271.788 3.198 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H](C)[C@H]2C)c1O ZINC001560629381 938266834 /nfs/dbraw/zinc/26/68/34/938266834.db2.gz NYUCSORSZXJVAN-QWHCGFSZSA-N 1 1 263.381 3.330 20 10 CGCDMO Cc1cc(O)c(CN(C)[C@H]2CC[N@H+](C(C)C)C2)c(Cl)c1 ZINC001560882998 938281578 /nfs/dbraw/zinc/28/15/78/938281578.db2.gz GMBLQWJLLWLCMG-ZDUSSCGKSA-N 1 1 296.842 3.269 20 10 CGCDMO Oc1ccc(Cl)cc1C[NH2+]Cc1nc2ccccc2o1 ZINC001560913809 938283732 /nfs/dbraw/zinc/28/37/32/938283732.db2.gz QWOXPUULCVLTRV-UHFFFAOYSA-N 1 1 288.734 3.477 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc2ccccc2c1[O-])C1CC[NH2+]CC1 ZINC001579485828 962629458 /nfs/dbraw/zinc/62/94/58/962629458.db2.gz RYSBAIVEJQJLPQ-ZDUSSCGKSA-N 1 1 284.403 3.023 20 10 CGCDMO CN(C)c1ccc(CNc2cc[nH+]cc2Cl)cc1 ZINC000301561180 529782481 /nfs/dbraw/zinc/78/24/81/529782481.db2.gz IITOZZJIVYSEOS-UHFFFAOYSA-N 1 1 261.756 3.413 20 10 CGCDMO CCC[N@@H+](Cc1cc(C)no1)Cc1ccccc1O ZINC000075829167 345524322 /nfs/dbraw/zinc/52/43/22/345524322.db2.gz TVUKQOXQCYKGME-UHFFFAOYSA-N 1 1 260.337 3.101 20 10 CGCDMO COC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)c1ccc(C)o1 ZINC000080237532 345669353 /nfs/dbraw/zinc/66/93/53/345669353.db2.gz CTBDHOMRIHKDKC-OAHLLOKOSA-N 1 1 289.375 3.382 20 10 CGCDMO C[C@@H](O)CC[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000093481362 345880211 /nfs/dbraw/zinc/88/02/11/345880211.db2.gz XUBCBJXFDJEULC-CQSZACIVSA-N 1 1 285.387 3.262 20 10 CGCDMO CC[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccccc1O ZINC000019905850 368778595 /nfs/dbraw/zinc/77/85/95/368778595.db2.gz KXDDNJULFULHBI-CQSZACIVSA-N 1 1 264.413 3.021 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCCSC1)c1ccc(F)cc1O ZINC000287151643 371611937 /nfs/dbraw/zinc/61/19/37/371611937.db2.gz STRYFLJOQUWAKO-GHMZBOCLSA-N 1 1 269.385 3.325 20 10 CGCDMO CC[C@@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(F)cc1O ZINC000287539972 371671935 /nfs/dbraw/zinc/67/19/35/371671935.db2.gz PGARZQIIXWSGDD-DZGCQCFKSA-N 1 1 281.371 3.123 20 10 CGCDMO CC(C)n1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cn1 ZINC000178864770 373812064 /nfs/dbraw/zinc/81/20/64/373812064.db2.gz SQXYBIPAPPVVCY-UHFFFAOYSA-N 1 1 286.423 3.162 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)[C@H](C)c2ccccn2)c1O ZINC000182063592 374212643 /nfs/dbraw/zinc/21/26/43/374212643.db2.gz CLUQLHCONLDCJL-CYBMUJFWSA-N 1 1 286.375 3.379 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)[C@@H](C)c2ccncc2)c1O ZINC000183710840 374444830 /nfs/dbraw/zinc/44/48/30/374444830.db2.gz XRCLKRKSKOVNRW-ZDUSSCGKSA-N 1 1 286.375 3.379 20 10 CGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)CC1=CCCOC1 ZINC000271064486 378444947 /nfs/dbraw/zinc/44/49/47/378444947.db2.gz IPNOKVGCISFWSL-UHFFFAOYSA-N 1 1 288.435 3.310 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](CCO)Cc2ccccc2)cc1C ZINC000270988481 378423233 /nfs/dbraw/zinc/42/32/33/378423233.db2.gz GZTDRYQNOTZKOX-UHFFFAOYSA-N 1 1 285.387 3.004 20 10 CGCDMO Cc1cccc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)c1O ZINC000271873370 378510363 /nfs/dbraw/zinc/51/03/63/378510363.db2.gz SQBZZBQVSBZCFT-SFHVURJKSA-N 1 1 297.398 3.182 20 10 CGCDMO C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc(F)cc1O ZINC000273450638 378746818 /nfs/dbraw/zinc/74/68/18/378746818.db2.gz FWJUPPOMKADAMI-MEBBXXQBSA-N 1 1 293.313 3.055 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@]23CCOC3)c1O ZINC000375311325 379490777 /nfs/dbraw/zinc/49/07/77/379490777.db2.gz UGFFXLOKHSISMX-HNNXBMFYSA-N 1 1 281.783 3.109 20 10 CGCDMO CC[C@@H]([NH2+]CCCSC)c1ccc(F)cc1O ZINC000286202759 380173579 /nfs/dbraw/zinc/17/35/79/380173579.db2.gz RSZRKYQOEXGOPK-GFCCVEGCSA-N 1 1 257.374 3.325 20 10 CGCDMO CC[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(F)cc1O ZINC000286281967 380187535 /nfs/dbraw/zinc/18/75/35/380187535.db2.gz WAONSWMZJWTKSG-KGLIPLIRSA-N 1 1 289.354 3.373 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1ccc(F)cc1O ZINC000285537201 380149897 /nfs/dbraw/zinc/14/98/97/380149897.db2.gz BXTNBWAJRZNJMF-GHJWDPDVSA-N 1 1 292.398 3.197 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)c1cnn(C)c1C)c1ccc(F)cc1O ZINC000285769223 380153611 /nfs/dbraw/zinc/15/36/11/380153611.db2.gz SRKXXKYNVXOQPU-MEBBXXQBSA-N 1 1 291.370 3.375 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H](C)N(C)C1CC1)c1ccc(F)cc1O ZINC000285978883 380155361 /nfs/dbraw/zinc/15/53/61/380155361.db2.gz HOLSUIYPBRFZAS-IAQYHMDHSA-N 1 1 280.387 3.055 20 10 CGCDMO COc1cccc(C[N@H+]2CC3(CCC3)C[C@H]2C)c1O ZINC000365440863 382287449 /nfs/dbraw/zinc/28/74/49/382287449.db2.gz DZAZKORJEHOWLV-GFCCVEGCSA-N 1 1 261.365 3.165 20 10 CGCDMO C[C@@]1(O)CCC[N@@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000366252247 382303933 /nfs/dbraw/zinc/30/39/33/382303933.db2.gz XWOKLONQVBGSCQ-GOSISDBHSA-N 1 1 285.387 3.282 20 10 CGCDMO COCC[C@H]1CCCC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000368668815 285176879 /nfs/dbraw/zinc/17/68/79/285176879.db2.gz ZMQCNYLVIREYMX-CQSZACIVSA-N 1 1 293.407 3.039 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](C)[C@@H](CCO)c2ccccc2)c1 ZINC000093442719 392238033 /nfs/dbraw/zinc/23/80/33/392238033.db2.gz DSTLGCBSYVIXCF-KRWDZBQOSA-N 1 1 285.387 3.256 20 10 CGCDMO CC[C@H]([NH2+]C1CC(F)(F)C1)c1ccc(F)cc1O ZINC000287392607 392397312 /nfs/dbraw/zinc/39/73/12/392397312.db2.gz ITQPWZUKANETSW-NSHDSACASA-N 1 1 259.271 3.370 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000133693351 392463764 /nfs/dbraw/zinc/46/37/64/392463764.db2.gz KXTIJVBEHLSGAW-OAHLLOKOSA-N 1 1 253.345 3.382 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@H]1CCOc2ccccc21 ZINC000372433782 392611973 /nfs/dbraw/zinc/61/19/73/392611973.db2.gz PHYZOFHFSHJFSR-CQSZACIVSA-N 1 1 283.371 3.390 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000179580719 392703581 /nfs/dbraw/zinc/70/35/81/392703581.db2.gz ANSRTAGCJGKQFQ-ZFWWWQNUSA-N 1 1 263.406 3.252 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H]1CCC=CO1 ZINC000193824129 392886009 /nfs/dbraw/zinc/88/60/09/392886009.db2.gz BVIDHRJVWLKKNJ-OAHLLOKOSA-N 1 1 261.365 3.297 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000361067078 393663614 /nfs/dbraw/zinc/66/36/14/393663614.db2.gz MHMHURRSOYTOQZ-MRXNPFEDSA-N 1 1 269.344 3.046 20 10 CGCDMO CC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000037328873 173129536 /nfs/dbraw/zinc/12/95/36/173129536.db2.gz CREZWANYNBYZPR-GFCCVEGCSA-N 1 1 279.355 3.356 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccc(F)cc1O ZINC000185327916 262050804 /nfs/dbraw/zinc/05/08/04/262050804.db2.gz ANNFZSGWTDYOSA-BDJLRTHQSA-N 1 1 281.371 3.123 20 10 CGCDMO COc1ccc(O)c([C@H](C)Nc2cc(C)cc[nH+]2)c1 ZINC000186242775 262085373 /nfs/dbraw/zinc/08/53/73/262085373.db2.gz VCKYBEHEMRNDEC-NSHDSACASA-N 1 1 258.321 3.277 20 10 CGCDMO Oc1cc2c(cc1CNc1cc(C3CC3)cc[nH+]1)OCO2 ZINC000289952748 328257109 /nfs/dbraw/zinc/25/71/09/328257109.db2.gz XQADBUDGQLAFNG-UHFFFAOYSA-N 1 1 284.315 3.005 20 10 CGCDMO CCCc1[nH+]ccn1Cc1ccc(N(C)C)c(C)c1 ZINC000292665838 328273072 /nfs/dbraw/zinc/27/30/72/328273072.db2.gz NSFRBENYFYMPFF-UHFFFAOYSA-N 1 1 257.381 3.258 20 10 CGCDMO CCCN1CCC([N@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC000092165266 327188922 /nfs/dbraw/zinc/18/89/22/327188922.db2.gz UONWOXJFJJWHOJ-UHFFFAOYSA-N 1 1 289.467 3.059 20 10 CGCDMO CCCN1CCC([N@@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC000092165266 327188923 /nfs/dbraw/zinc/18/89/23/327188923.db2.gz UONWOXJFJJWHOJ-UHFFFAOYSA-N 1 1 289.467 3.059 20 10 CGCDMO CCC[NH+]1CCC(N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000092165266 327188925 /nfs/dbraw/zinc/18/89/25/327188925.db2.gz UONWOXJFJJWHOJ-UHFFFAOYSA-N 1 1 289.467 3.059 20 10 CGCDMO COC[C@H]1CCCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000375097301 329000561 /nfs/dbraw/zinc/00/05/61/329000561.db2.gz QVSLWSJQIHITIL-LBPRGKRZSA-N 1 1 283.799 3.294 20 10 CGCDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccccc1O ZINC000179887777 329213101 /nfs/dbraw/zinc/21/31/01/329213101.db2.gz PWNCKQBPNKDDFO-HNNXBMFYSA-N 1 1 256.349 3.068 20 10 CGCDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccccc2O)C1 ZINC000185230288 329269246 /nfs/dbraw/zinc/26/92/46/329269246.db2.gz ASYWHVBXOWNPBB-CZUORRHYSA-N 1 1 268.360 3.370 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)Cc2occc2C)c1O ZINC000292747640 521332698 /nfs/dbraw/zinc/33/26/98/521332698.db2.gz IBTRUJZCDWJUQE-UHFFFAOYSA-N 1 1 275.348 3.324 20 10 CGCDMO CCc1nc(C)c(C[NH2+]Cc2ccc(N(C)C)c(F)c2)o1 ZINC000291725425 522203676 /nfs/dbraw/zinc/20/36/76/522203676.db2.gz NDYVCAKOSMFOPO-UHFFFAOYSA-N 1 1 291.370 3.040 20 10 CGCDMO CCc1nnc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)s1 ZINC000290184780 522739845 /nfs/dbraw/zinc/73/98/45/522739845.db2.gz NWRLWNXKXZQBRT-NSHDSACASA-N 1 1 291.420 3.274 20 10 CGCDMO CC[C@H]1CC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000292744215 523172889 /nfs/dbraw/zinc/17/28/89/523172889.db2.gz HWARMSFVCLTAED-NSHDSACASA-N 1 1 255.745 3.039 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+](C)C2CCC(CO)CC2)c1O ZINC000290574146 524862942 /nfs/dbraw/zinc/86/29/42/524862942.db2.gz TZRHXNNPHUJSEC-UHFFFAOYSA-N 1 1 297.826 3.337 20 10 CGCDMO Cc1ccc(O)c([C@@H](C)NCC[N@H+](C)C2CCCC2)c1 ZINC000071376872 525359522 /nfs/dbraw/zinc/35/95/22/525359522.db2.gz XPJKQIBRWFXMFF-CQSZACIVSA-N 1 1 276.424 3.226 20 10 CGCDMO Cc1ccc(O)c([C@@H](C)NCC[N@@H+](C)C2CCCC2)c1 ZINC000071376872 525359532 /nfs/dbraw/zinc/35/95/32/525359532.db2.gz XPJKQIBRWFXMFF-CQSZACIVSA-N 1 1 276.424 3.226 20 10 CGCDMO C[C@H]([NH2+]CCc1ccccc1)c1ccc(F)cc1O ZINC000062744860 525367543 /nfs/dbraw/zinc/36/75/43/525367543.db2.gz YQINONWQDRFBPC-LBPRGKRZSA-N 1 1 259.324 3.425 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccccn1 ZINC000062745004 525609279 /nfs/dbraw/zinc/60/92/79/525609279.db2.gz NLMPAYNEDFIOKZ-WDEREUQCSA-N 1 1 260.312 3.338 20 10 CGCDMO Cc1c[nH]nc1C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000289646978 526030301 /nfs/dbraw/zinc/03/03/01/526030301.db2.gz XYSYWQKRFDECHZ-UHFFFAOYSA-N 1 1 298.434 3.244 20 10 CGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@H]1C1CC1 ZINC000728562186 571811780 /nfs/dbraw/zinc/81/17/80/571811780.db2.gz HTRUTFFLPSCHES-INIZCTEOSA-N 1 1 268.360 3.315 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2C2CCC2)c1O ZINC000750823305 572328802 /nfs/dbraw/zinc/32/88/02/572328802.db2.gz QENBQXAXWRMQST-INIZCTEOSA-N 1 1 291.366 3.498 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000725779091 572399601 /nfs/dbraw/zinc/39/96/01/572399601.db2.gz LAGALGOWQYHRQF-NSHDSACASA-N 1 1 263.381 3.237 20 10 CGCDMO CC(C)[C@H]1CC[N@@H+]1Cc1cccc(Br)c1O ZINC000775764917 628134163 /nfs/dbraw/zinc/13/41/63/628134163.db2.gz LPRUZLWIPNWRRN-GFCCVEGCSA-N 1 1 284.197 3.385 20 10 CGCDMO CC(C)[C@H]1CC[N@H+]1Cc1cccc(Br)c1O ZINC000775764917 628134164 /nfs/dbraw/zinc/13/41/64/628134164.db2.gz LPRUZLWIPNWRRN-GFCCVEGCSA-N 1 1 284.197 3.385 20 10 CGCDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000187575662 618099096 /nfs/dbraw/zinc/09/90/96/618099096.db2.gz HRVCZHHCSBRBMN-YJBOKZPZSA-N 1 1 288.435 3.144 20 10 CGCDMO COc1ccc(C[N@@H+](C)[C@@H](C)C(C)(C)C)c(O)c1OC ZINC000891671514 618245378 /nfs/dbraw/zinc/24/53/78/618245378.db2.gz PEIPXVOAPPOMKN-NSHDSACASA-N 1 1 281.396 3.276 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c(O)c1OC ZINC000891802422 618307473 /nfs/dbraw/zinc/30/74/73/618307473.db2.gz CAYMYKNFBNYONX-GXTWGEPZSA-N 1 1 291.391 3.174 20 10 CGCDMO CCC[N@H+](Cc1nccn1C1CC1)Cc1ccccc1O ZINC000891853467 618341868 /nfs/dbraw/zinc/34/18/68/618341868.db2.gz NVUCTPAAUCCHMJ-UHFFFAOYSA-N 1 1 285.391 3.336 20 10 CGCDMO CCC[N@@H+](Cc1nccn1C1CC1)Cc1ccccc1O ZINC000891853467 618341877 /nfs/dbraw/zinc/34/18/77/618341877.db2.gz NVUCTPAAUCCHMJ-UHFFFAOYSA-N 1 1 285.391 3.336 20 10 CGCDMO CSCC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000161442528 618675754 /nfs/dbraw/zinc/67/57/54/618675754.db2.gz KHIGHVQLMBWXEO-UHFFFAOYSA-N 1 1 278.465 3.472 20 10 CGCDMO CC[C@H](C)C[N@@H+](C)Cc1cc(OC)c(C)cc1O ZINC000179442755 618784278 /nfs/dbraw/zinc/78/42/78/618784278.db2.gz OOYTWIRFWUMYRB-NSHDSACASA-N 1 1 251.370 3.187 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)[C@H](C)C1 ZINC000310601835 618813233 /nfs/dbraw/zinc/81/32/33/618813233.db2.gz BPYCOEZNGJWADE-MFKMUULPSA-N 1 1 269.772 3.045 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)CC(C)(C)C)c1O ZINC000164360309 618893957 /nfs/dbraw/zinc/89/39/57/618893957.db2.gz YTPMIWFLAHBVJA-UHFFFAOYSA-N 1 1 251.370 3.187 20 10 CGCDMO Cc1nc(C)c(CC[NH2+][C@@H](C)c2ccc(F)cc2O)s1 ZINC000185402659 619060943 /nfs/dbraw/zinc/06/09/43/619060943.db2.gz OGUIHFBEYLHINN-VIFPVBQESA-N 1 1 294.395 3.498 20 10 CGCDMO Cc1cccc(C[N@H+](C)CC2(O)CCCCCC2)c1O ZINC000190138729 619097667 /nfs/dbraw/zinc/09/76/67/619097667.db2.gz ULMBFZJQFQGWGN-UHFFFAOYSA-N 1 1 277.408 3.218 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1ccncc1 ZINC000840939199 619229268 /nfs/dbraw/zinc/22/92/68/619229268.db2.gz KJQSGKJMCLCZNF-UHFFFAOYSA-N 1 1 269.392 3.088 20 10 CGCDMO C[C@H](C(=O)OC(C)(C)C)[N@H+](Cc1ccccc1O)C1CC1 ZINC000840956730 619268797 /nfs/dbraw/zinc/26/87/97/619268797.db2.gz CTPDZLQTONNYRA-GFCCVEGCSA-N 1 1 291.391 3.087 20 10 CGCDMO C[C@H](C(=O)OC(C)(C)C)[N@@H+](Cc1ccccc1O)C1CC1 ZINC000840956730 619268799 /nfs/dbraw/zinc/26/87/99/619268799.db2.gz CTPDZLQTONNYRA-GFCCVEGCSA-N 1 1 291.391 3.087 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@H](C3CC3)C2)c(O)c1OC ZINC000894523351 619562596 /nfs/dbraw/zinc/56/25/96/619562596.db2.gz WWLRTFPVOPDELR-ZDUSSCGKSA-N 1 1 291.391 3.031 20 10 CGCDMO COc1ccc(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)c(O)c1OC ZINC000894543607 619570574 /nfs/dbraw/zinc/57/05/74/619570574.db2.gz BVAKVSWDMKUGCR-INIZCTEOSA-N 1 1 291.391 3.030 20 10 CGCDMO CN(C)C1(C[N@@H+](C)Cc2c(O)ccc3ccccc32)CCC1 ZINC000187902401 619603287 /nfs/dbraw/zinc/60/32/87/619603287.db2.gz NPWCMDMBPHGMKM-UHFFFAOYSA-N 1 1 298.430 3.462 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1 ZINC000793231091 619708795 /nfs/dbraw/zinc/70/87/95/619708795.db2.gz KSQCIWOKXCKOEH-CABZTGNLSA-N 1 1 289.297 3.174 20 10 CGCDMO CC1CCC([N@@H+](C)Cc2cc3c(cc2O)OCO3)CC1 ZINC000049281459 619722632 /nfs/dbraw/zinc/72/26/32/619722632.db2.gz WXYWNYWOPVWHSW-UHFFFAOYSA-N 1 1 277.364 3.131 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+](C)Cc2ccns2)c1O ZINC000895454125 619829984 /nfs/dbraw/zinc/82/99/84/619829984.db2.gz USZURERCCDZSBV-UHFFFAOYSA-N 1 1 298.795 3.143 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+](C)Cc2ccns2)c1O ZINC000895454125 619829986 /nfs/dbraw/zinc/82/99/86/619829986.db2.gz USZURERCCDZSBV-UHFFFAOYSA-N 1 1 298.795 3.143 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1Cl ZINC000895841570 619892178 /nfs/dbraw/zinc/89/21/78/619892178.db2.gz CSGYCARCMSSWRK-WBMJQRKESA-N 1 1 295.810 3.355 20 10 CGCDMO Cc1cccc(O)c1C[NH2+][C@@H]1c2ccccc2OC[C@@H]1F ZINC000896422094 620006901 /nfs/dbraw/zinc/00/69/01/620006901.db2.gz HOBMKUCEEQWIQA-WMLDXEAASA-N 1 1 287.334 3.262 20 10 CGCDMO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1c(O)cccc1F ZINC000896637534 620041754 /nfs/dbraw/zinc/04/17/54/620041754.db2.gz OOFDSUGKFOTUGS-GFCCVEGCSA-N 1 1 289.350 3.348 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000898071579 620477352 /nfs/dbraw/zinc/47/73/52/620477352.db2.gz PLSMBLJMUBRDOR-LLVKDONJSA-N 1 1 292.379 3.052 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)CC2CCCC2)c1O ZINC000164224268 622820209 /nfs/dbraw/zinc/82/02/09/622820209.db2.gz BHWQZCAUEXBQGT-UHFFFAOYSA-N 1 1 263.381 3.331 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCCC2(C)C)c1O ZINC000063071717 623292821 /nfs/dbraw/zinc/29/28/21/623292821.db2.gz UEBLHCMQUNWBHY-UHFFFAOYSA-N 1 1 265.328 3.108 20 10 CGCDMO COc1cccc(C[N@@H+](C)C[C@@H]2CC=CCC2)c1O ZINC000753574354 623417174 /nfs/dbraw/zinc/41/71/74/623417174.db2.gz CXBJUNMRUMVDOX-CYBMUJFWSA-N 1 1 261.365 3.189 20 10 CGCDMO COc1ccc(CNC[C@@H](CC(C)C)[NH+](C)C)cc1C ZINC000035258549 623423894 /nfs/dbraw/zinc/42/38/94/623423894.db2.gz ZMKIIDMPOIFKCF-MRXNPFEDSA-N 1 1 278.440 3.070 20 10 CGCDMO Cc1cccc(C[N@@H+](C)CCOc2ccccc2F)c1O ZINC000179620441 624672662 /nfs/dbraw/zinc/67/26/62/624672662.db2.gz DMLJXDHHCPRTLA-UHFFFAOYSA-N 1 1 289.350 3.351 20 10 CGCDMO Cc1ccc(C[N@H+](CCO)Cc2ccc(N(C)C)cc2)cc1 ZINC000180843573 624777621 /nfs/dbraw/zinc/77/76/21/624777621.db2.gz HFDNINRLTRHZCH-UHFFFAOYSA-N 1 1 298.430 3.056 20 10 CGCDMO COc1ccccc1CCC[N@@H+](C)Cc1ccccc1O ZINC000182603732 625021886 /nfs/dbraw/zinc/02/18/86/625021886.db2.gz KVHZOLJUTSARTL-UHFFFAOYSA-N 1 1 285.387 3.465 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@H](C)c2ccncc2)c1 ZINC000183712451 625114110 /nfs/dbraw/zinc/11/41/10/625114110.db2.gz NTWBBBGSNCKXEB-CYBMUJFWSA-N 1 1 286.375 3.379 20 10 CGCDMO CC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184702496 625263540 /nfs/dbraw/zinc/26/35/40/625263540.db2.gz IKLHOXSOIYXXDY-JTQLQIEISA-N 1 1 269.772 3.286 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cscn1 ZINC000922240303 625988413 /nfs/dbraw/zinc/98/84/13/625988413.db2.gz FDFPGKNQCRQWPC-NSHDSACASA-N 1 1 274.389 3.319 20 10 CGCDMO CO[C@H]1C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C12CCC2 ZINC000839182622 626326338 /nfs/dbraw/zinc/32/63/38/626326338.db2.gz ODXFHBBILPESPN-STQMWFEESA-N 1 1 299.773 3.232 20 10 CGCDMO C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000839183104 626327019 /nfs/dbraw/zinc/32/70/19/626327019.db2.gz UAKJNZOLCGDZGL-HNNXBMFYSA-N 1 1 298.430 3.367 20 10 CGCDMO C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000839183104 626327023 /nfs/dbraw/zinc/32/70/23/626327023.db2.gz UAKJNZOLCGDZGL-HNNXBMFYSA-N 1 1 298.430 3.367 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)Cc1ccc(F)cc1C ZINC000754153827 626561120 /nfs/dbraw/zinc/56/11/20/626561120.db2.gz JKOLBJRQWHUYMF-UHFFFAOYSA-N 1 1 289.350 3.480 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(OC)nc1 ZINC000754668490 626581097 /nfs/dbraw/zinc/58/10/97/626581097.db2.gz PBHNIJJYTHSRFJ-UHFFFAOYSA-N 1 1 299.418 3.178 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)Cc2cnc(C)s2)c1O ZINC000754727539 626584915 /nfs/dbraw/zinc/58/49/15/626584915.db2.gz IGLFDNZHIFQZDL-UHFFFAOYSA-N 1 1 292.404 3.106 20 10 CGCDMO CCCCCC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000756343476 626694069 /nfs/dbraw/zinc/69/40/69/626694069.db2.gz ORBSTBUYWXNKII-GFCCVEGCSA-N 1 1 279.380 3.410 20 10 CGCDMO Cc1csc(CC[NH2+][C@@H](C)c2cc(F)cc(F)c2O)n1 ZINC000756399754 626701425 /nfs/dbraw/zinc/70/14/25/626701425.db2.gz GOMZBQVDGWHWMI-VIFPVBQESA-N 1 1 298.358 3.329 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@@H](C)C2)c1 ZINC000756467783 626707453 /nfs/dbraw/zinc/70/74/53/626707453.db2.gz YONSOJCQUCVOKF-DYEKYZERSA-N 1 1 291.391 3.408 20 10 CGCDMO C[C@H]([NH2+]CCCC[NH+](C)C)c1cc(Cl)ccc1[O-] ZINC000756501357 626710042 /nfs/dbraw/zinc/71/00/42/626710042.db2.gz CASIOKOLNCAEQU-NSHDSACASA-N 1 1 270.804 3.038 20 10 CGCDMO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C)C2)c(O)c1C ZINC000756554039 626714682 /nfs/dbraw/zinc/71/46/82/626714682.db2.gz NQYLRSHTKCWGTA-CABCVRRESA-N 1 1 276.424 3.001 20 10 CGCDMO CO[C@]1(C)C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2O)C1(C)C ZINC000756628782 626722259 /nfs/dbraw/zinc/72/22/59/626722259.db2.gz XMVXXVZTDBLESK-QSGSBWRWSA-N 1 1 281.371 3.386 20 10 CGCDMO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000756735768 626728931 /nfs/dbraw/zinc/72/89/31/626728931.db2.gz HUVRGAXQRAWJNT-MFKMUULPSA-N 1 1 295.379 3.285 20 10 CGCDMO Cc1ccc(C(C)(C)[NH2+]Cc2cccc(F)c2O)cn1 ZINC000761225487 627026813 /nfs/dbraw/zinc/02/68/13/627026813.db2.gz ILSGCOJUIHLMQZ-UHFFFAOYSA-N 1 1 274.339 3.260 20 10 CGCDMO CC[N@@H+](CCC1CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000761226499 627026850 /nfs/dbraw/zinc/02/68/50/627026850.db2.gz STCAUTYMRCGPKQ-UHFFFAOYSA-N 1 1 288.435 3.145 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCOC(C)C)cc1 ZINC000764818069 627226491 /nfs/dbraw/zinc/22/64/91/627226491.db2.gz YOUYXCKLIQLWQA-UHFFFAOYSA-N 1 1 278.440 3.390 20 10 CGCDMO COc1cc(C[N@H+]2CCSCC[C@@H]2C)c(O)cc1C ZINC000790479929 627267953 /nfs/dbraw/zinc/26/79/53/627267953.db2.gz IESZIWZAJHUKBQ-LBPRGKRZSA-N 1 1 281.421 3.037 20 10 CGCDMO CCN(C)c1ccc([C@H](C)NCC[N@@H+]2CCC[C@@H]2C)cc1 ZINC000766273543 627311309 /nfs/dbraw/zinc/31/13/09/627311309.db2.gz QGQIQUOVBAPMNH-HOTGVXAUSA-N 1 1 289.467 3.278 20 10 CGCDMO CCN(C)c1ccc([C@H](C)NCC[N@H+]2CCC[C@@H]2C)cc1 ZINC000766273543 627311312 /nfs/dbraw/zinc/31/13/12/627311312.db2.gz QGQIQUOVBAPMNH-HOTGVXAUSA-N 1 1 289.467 3.278 20 10 CGCDMO CC(C)[N@@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768140818 627463001 /nfs/dbraw/zinc/46/30/01/627463001.db2.gz LZIBLMFCWXPZOE-UHFFFAOYSA-N 1 1 291.395 3.425 20 10 CGCDMO CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000768319546 627473324 /nfs/dbraw/zinc/47/33/24/627473324.db2.gz PPYCUCKDSSIHGA-SFHVURJKSA-N 1 1 288.435 3.144 20 10 CGCDMO CCCCC[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C(C)C ZINC000768439905 627479696 /nfs/dbraw/zinc/47/96/96/627479696.db2.gz PBSYFZGCVFCSQW-INIZCTEOSA-N 1 1 293.407 3.219 20 10 CGCDMO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000768463961 627481181 /nfs/dbraw/zinc/48/11/81/627481181.db2.gz YCVPNHKGBNLERK-CXAGYDPISA-N 1 1 289.419 3.006 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@@H](C(C)C)C2)c(O)cc1C ZINC000768465189 627481365 /nfs/dbraw/zinc/48/13/65/627481365.db2.gz YJLKHDDCTQWQHW-CYBMUJFWSA-N 1 1 263.381 3.187 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H]1CCCOC1 ZINC000768531127 627484767 /nfs/dbraw/zinc/48/47/67/627484767.db2.gz WEYOPSTYKVJOBR-CQSZACIVSA-N 1 1 263.381 3.031 20 10 CGCDMO CCC(CC)[N@@H+](CCOC)Cc1ccc(N(C)C)cc1 ZINC000768598729 627488504 /nfs/dbraw/zinc/48/85/04/627488504.db2.gz PRIWFGNSYOWEBH-UHFFFAOYSA-N 1 1 278.440 3.390 20 10 CGCDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769448548 627553294 /nfs/dbraw/zinc/55/32/94/627553294.db2.gz ULERGGPDSMODHS-NVXWUHKLSA-N 1 1 288.435 3.144 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](C)C[C@H]2CC)c1 ZINC000769447739 627553414 /nfs/dbraw/zinc/55/34/14/627553414.db2.gz KHVRSLAIPMZRAS-GXTWGEPZSA-N 1 1 263.381 3.411 20 10 CGCDMO CC[C@@H]1CCC[N@@H+](Cc2c(O)cccc2OC)CC1 ZINC000769463189 627555691 /nfs/dbraw/zinc/55/56/91/627555691.db2.gz NYCFWNBWVXQFRH-CYBMUJFWSA-N 1 1 263.381 3.413 20 10 CGCDMO [O-]c1c(Br)cccc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000769515344 627561796 /nfs/dbraw/zinc/56/17/96/627561796.db2.gz OJYOUCLGHTUMQT-LLVKDONJSA-N 1 1 296.208 3.387 20 10 CGCDMO Oc1c(Br)cccc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000769515344 627561798 /nfs/dbraw/zinc/56/17/98/627561798.db2.gz OJYOUCLGHTUMQT-LLVKDONJSA-N 1 1 296.208 3.387 20 10 CGCDMO Oc1c(Br)cccc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000769515344 627561800 /nfs/dbraw/zinc/56/18/00/627561800.db2.gz OJYOUCLGHTUMQT-LLVKDONJSA-N 1 1 296.208 3.387 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)CCOCc2ccccc2)cc1 ZINC000770306757 627612455 /nfs/dbraw/zinc/61/24/55/627612455.db2.gz PXVQCRUADAIHFT-UHFFFAOYSA-N 1 1 298.430 3.401 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000771940804 627747932 /nfs/dbraw/zinc/74/79/32/627747932.db2.gz WOYBPTQZGYSRRO-OAHLLOKOSA-N 1 1 269.344 3.348 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)cc1 ZINC000773888879 627924796 /nfs/dbraw/zinc/92/47/96/627924796.db2.gz RVAYNOSHKBVUNE-DAYGRLMNSA-N 1 1 290.451 3.124 20 10 CGCDMO CC[C@@]1(C)COCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000775982003 628155700 /nfs/dbraw/zinc/15/57/00/628155700.db2.gz XDUAHLYGLODNQR-INIZCTEOSA-N 1 1 263.381 3.010 20 10 CGCDMO C[C@H]1c2ccccc2OCC[N@@H+]1Cc1ccccc1O ZINC000779000690 628382496 /nfs/dbraw/zinc/38/24/96/628382496.db2.gz ZEUWWRIQVNJUJN-ZDUSSCGKSA-N 1 1 269.344 3.348 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c1O ZINC000779153002 628390853 /nfs/dbraw/zinc/39/08/53/628390853.db2.gz IZRGBYPDZUBUQH-WFASDCNBSA-N 1 1 297.826 3.337 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CC[C@H]2CCOC2)cc1 ZINC000783514182 628720202 /nfs/dbraw/zinc/72/02/02/628720202.db2.gz KIVCREMHFRPDNL-KRWDZBQOSA-N 1 1 290.451 3.391 20 10 CGCDMO CCC[N@@H+](CC[C@@H]1CCOC1)Cc1ccccc1O ZINC000783554644 628724965 /nfs/dbraw/zinc/72/49/65/628724965.db2.gz DBCZQEOCSJJNRE-CQSZACIVSA-N 1 1 263.381 3.031 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCOCC3(CC3)C2)cc1 ZINC000783600083 628730349 /nfs/dbraw/zinc/73/03/49/628730349.db2.gz VCWDKYQTXHUOBE-UHFFFAOYSA-N 1 1 288.435 3.145 20 10 CGCDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)ccc1O ZINC000785988324 628905801 /nfs/dbraw/zinc/90/58/01/628905801.db2.gz LDHGCYRJTZTLAG-JTNHKYCSSA-N 1 1 283.799 3.027 20 10 CGCDMO C[C@@]1(CO)CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000789558528 629145240 /nfs/dbraw/zinc/14/52/40/629145240.db2.gz XOYRRUMBPPOQOV-SFHVURJKSA-N 1 1 288.435 3.024 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000125512191 634716102 /nfs/dbraw/zinc/71/61/02/634716102.db2.gz QABUBOYMEHCACL-GOSISDBHSA-N 1 1 288.435 3.288 20 10 CGCDMO C[C@@H](Cc1ccco1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790948697 629242194 /nfs/dbraw/zinc/24/21/94/629242194.db2.gz DWJLCIKHDQAKLN-VIFPVBQESA-N 1 1 283.730 3.499 20 10 CGCDMO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790958656 629242942 /nfs/dbraw/zinc/24/29/42/629242942.db2.gz KAUHOWXVRNHNFA-YMTOWFKASA-N 1 1 289.778 3.071 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCC1CCC1 ZINC000790976361 629245311 /nfs/dbraw/zinc/24/53/11/629245311.db2.gz AKFYEKOMLYSSFQ-UHFFFAOYSA-N 1 1 257.736 3.465 20 10 CGCDMO COc1cccc(O)c1C[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000862443977 629376567 /nfs/dbraw/zinc/37/65/67/629376567.db2.gz RLMXQRAYGGUSLT-PHIMTYICSA-N 1 1 285.334 3.124 20 10 CGCDMO CC[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792779108 629381373 /nfs/dbraw/zinc/38/13/73/629381373.db2.gz ZZPAWRHGZGCXAV-UHFFFAOYSA-N 1 1 260.303 3.223 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000862473049 629383594 /nfs/dbraw/zinc/38/35/94/629383594.db2.gz BRUJHQMJECGVFL-CABCVRRESA-N 1 1 293.432 3.261 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000862473270 629384268 /nfs/dbraw/zinc/38/42/68/629384268.db2.gz MBCGVICOMOXTFT-KGLIPLIRSA-N 1 1 263.406 3.171 20 10 CGCDMO CCC(O)(CC)C[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000862539182 629394862 /nfs/dbraw/zinc/39/48/62/629394862.db2.gz IXEHYLWIDYOCBN-CMDGGOBGSA-N 1 1 290.451 3.249 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H](N3CCCC3)C[C@H]2C)c1 ZINC000795705962 629710773 /nfs/dbraw/zinc/71/07/73/629710773.db2.gz JQVSRQRFADCZHS-WBVHZDCISA-N 1 1 288.435 3.068 20 10 CGCDMO Cc1cc(C)c(O)c(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000795705962 629710776 /nfs/dbraw/zinc/71/07/76/629710776.db2.gz JQVSRQRFADCZHS-WBVHZDCISA-N 1 1 288.435 3.068 20 10 CGCDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000796384170 629774435 /nfs/dbraw/zinc/77/44/35/629774435.db2.gz MFTUCEVJPLDEOL-QAPCUYQASA-N 1 1 290.451 3.268 20 10 CGCDMO CC[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(F)cc1O ZINC000796675360 629813808 /nfs/dbraw/zinc/81/38/08/629813808.db2.gz NEUUIQZXPBKLQU-OAHLLOKOSA-N 1 1 294.414 3.446 20 10 CGCDMO CC[C@@H]([NH2+]Cc1ccc(OC)nc1)c1ccc(F)cc1O ZINC000796680020 629814452 /nfs/dbraw/zinc/81/44/52/629814452.db2.gz VGEIUBCPWMVYOO-CQSZACIVSA-N 1 1 290.338 3.176 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H](CC)N1CCCC1)c1ccc(F)cc1O ZINC000796695189 629816171 /nfs/dbraw/zinc/81/61/71/629816171.db2.gz MPUAFVZLXAUGEM-GOEBONIOSA-N 1 1 294.414 3.446 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1ccc(F)cc1O ZINC000796778395 629832205 /nfs/dbraw/zinc/83/22/05/629832205.db2.gz KYZCTUPOBDFTOU-ZLDLUXBVSA-N 1 1 281.371 3.123 20 10 CGCDMO CC[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1ccc(F)cc1O ZINC000796785841 629833522 /nfs/dbraw/zinc/83/35/22/629833522.db2.gz ZLEWJDGMAYUFII-SWLSCSKDSA-N 1 1 280.387 3.056 20 10 CGCDMO C[C@H]([NH2+]Cc1cnn2ccccc12)c1ccc(F)cc1O ZINC000797057592 629879292 /nfs/dbraw/zinc/87/92/92/629879292.db2.gz OQDLXNAQDKBBET-NSHDSACASA-N 1 1 285.322 3.030 20 10 CGCDMO CC1=C[C@H](C)C[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000797416157 629944856 /nfs/dbraw/zinc/94/48/56/629944856.db2.gz GZPGBBRKJBXGSY-LBPRGKRZSA-N 1 1 257.377 3.279 20 10 CGCDMO CC1=C[C@@H](C)C[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000797605707 629970253 /nfs/dbraw/zinc/97/02/53/629970253.db2.gz VDSXMQNOOBMENK-SNVBAGLBSA-N 1 1 251.757 3.444 20 10 CGCDMO Cc1cccc(C[N@H+](C)Cc2cnc(C(C)C)nc2)c1O ZINC000799736673 630228597 /nfs/dbraw/zinc/22/85/97/630228597.db2.gz CFHXJKGUCZIWHK-UHFFFAOYSA-N 1 1 285.391 3.246 20 10 CGCDMO CCCC[N@@H+](CCC[C@@H](C)O)Cc1ccccc1O ZINC000801595154 630346511 /nfs/dbraw/zinc/34/65/11/630346511.db2.gz WNQFDIVJCBLEKG-CQSZACIVSA-N 1 1 265.397 3.155 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000809728887 630792828 /nfs/dbraw/zinc/79/28/28/630792828.db2.gz KMHMRXJCODKGSZ-OAHLLOKOSA-N 1 1 284.359 3.133 20 10 CGCDMO Cc1cccc(C[N@@H+](CCN(C)C)Cc2ccccc2O)c1 ZINC000809741147 630796785 /nfs/dbraw/zinc/79/67/85/630796785.db2.gz KROBUOIIKUTHTD-UHFFFAOYSA-N 1 1 298.430 3.264 20 10 CGCDMO Cc1cccc(C[N@H+](CCN(C)C)Cc2ccccc2O)c1 ZINC000809741147 630796789 /nfs/dbraw/zinc/79/67/89/630796789.db2.gz KROBUOIIKUTHTD-UHFFFAOYSA-N 1 1 298.430 3.264 20 10 CGCDMO CCC[N@H+](CC)C[C@@H](C)NCc1cc(Cl)ccc1O ZINC000810180387 630850701 /nfs/dbraw/zinc/85/07/01/630850701.db2.gz WNWQLPDANFSYPK-GFCCVEGCSA-N 1 1 284.831 3.256 20 10 CGCDMO CCC[N@@H+](CC)C[C@@H](C)NCc1cc(Cl)ccc1O ZINC000810180387 630850705 /nfs/dbraw/zinc/85/07/05/630850705.db2.gz WNWQLPDANFSYPK-GFCCVEGCSA-N 1 1 284.831 3.256 20 10 CGCDMO CC[C@H]([NH2+]CCC1(COC)CC1)c1ccc(F)cc1O ZINC000842891315 635505694 /nfs/dbraw/zinc/50/56/94/635505694.db2.gz SYHWAKWDIQDIML-AWEZNQCLSA-N 1 1 281.371 3.389 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC(C)(C)[C@H]2C2CC2)c1O ZINC000811513602 631081547 /nfs/dbraw/zinc/08/15/47/631081547.db2.gz LCLQFGDQIWOVJX-MRXNPFEDSA-N 1 1 275.392 3.411 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](n3cccn3)C2)cc1C(C)C ZINC000812294518 631236248 /nfs/dbraw/zinc/23/62/48/631236248.db2.gz OXTUQPGULBZZFX-INIZCTEOSA-N 1 1 299.418 3.468 20 10 CGCDMO C[C@@H](C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)CN(C)C ZINC000813877190 631475139 /nfs/dbraw/zinc/47/51/39/631475139.db2.gz NQXZHCKTENQFDJ-KBPBESRZSA-N 1 1 290.451 3.119 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccccc2O)Cc2ccccc2O1 ZINC000814177611 631538368 /nfs/dbraw/zinc/53/83/68/631538368.db2.gz IJRWROUDVGVMJE-CYBMUJFWSA-N 1 1 269.344 3.175 20 10 CGCDMO Cc1cc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)ccc1N(C)C ZINC000815087743 631714260 /nfs/dbraw/zinc/71/42/60/631714260.db2.gz NMSPNIAGZKVPMR-AEFFLSMTSA-N 1 1 290.451 3.044 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCSCC[C@@H]2C)cc1 ZINC000815101162 631717562 /nfs/dbraw/zinc/71/75/62/631717562.db2.gz PFYASCOJUNIYOY-AWEZNQCLSA-N 1 1 278.465 3.470 20 10 CGCDMO COCC[C@@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815572962 631797645 /nfs/dbraw/zinc/79/76/45/631797645.db2.gz UCHWEMSIIMZQPV-ZJUUUORDSA-N 1 1 291.313 3.487 20 10 CGCDMO CC[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816519980 632001956 /nfs/dbraw/zinc/00/19/56/632001956.db2.gz BSJNTYZCTTVOTM-SECBINFHSA-N 1 1 257.736 3.417 20 10 CGCDMO CC[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816519980 632001960 /nfs/dbraw/zinc/00/19/60/632001960.db2.gz BSJNTYZCTTVOTM-SECBINFHSA-N 1 1 257.736 3.417 20 10 CGCDMO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1cccnc1 ZINC000816531289 632003948 /nfs/dbraw/zinc/00/39/48/632003948.db2.gz MLWRFFJQWSLGTO-VIFPVBQESA-N 1 1 280.730 3.431 20 10 CGCDMO COc1ccccc1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816529265 632004278 /nfs/dbraw/zinc/00/42/78/632004278.db2.gz MCARDLAKDBAKCF-UHFFFAOYSA-N 1 1 295.741 3.483 20 10 CGCDMO CO[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)CC[C@H]1C ZINC000816586394 632018088 /nfs/dbraw/zinc/01/80/88/632018088.db2.gz GSKJYKONPLQZGD-YMTOWFKASA-N 1 1 287.762 3.042 20 10 CGCDMO CO[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)CC[C@H]1C ZINC000816586394 632018095 /nfs/dbraw/zinc/01/80/95/632018095.db2.gz GSKJYKONPLQZGD-YMTOWFKASA-N 1 1 287.762 3.042 20 10 CGCDMO Cc1noc([C@@H](C)[NH2+]Cc2ccc3ccccc3c2O)n1 ZINC000816590107 632020121 /nfs/dbraw/zinc/02/01/21/632020121.db2.gz RJLSHSORYQRLAE-SNVBAGLBSA-N 1 1 283.331 3.088 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)C[C@H](O)Cc2ccccc2)cc1C ZINC000816624678 632027050 /nfs/dbraw/zinc/02/70/50/632027050.db2.gz CVANQAUGVNBEKI-GOSISDBHSA-N 1 1 299.414 3.044 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@H](CCO)CC2)ccc1N(C)C ZINC000817297629 632117046 /nfs/dbraw/zinc/11/70/46/632117046.db2.gz TZCCVCGUDJRAEO-INIZCTEOSA-N 1 1 290.451 3.046 20 10 CGCDMO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2O)CCO1 ZINC000817586012 632191403 /nfs/dbraw/zinc/19/14/03/632191403.db2.gz KVJJWQIRWZEOOZ-RAIGVLPGSA-N 1 1 267.344 3.140 20 10 CGCDMO [NH3+][C@H]1CCCCC[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC000817897761 632231966 /nfs/dbraw/zinc/23/19/66/632231966.db2.gz AGLSGNNJIDTIKU-ROUUACIJSA-N 1 1 287.451 3.036 20 10 CGCDMO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000817897761 632231970 /nfs/dbraw/zinc/23/19/70/632231970.db2.gz AGLSGNNJIDTIKU-ROUUACIJSA-N 1 1 287.451 3.036 20 10 CGCDMO C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc2ccccc2c1[O-] ZINC000817955367 632250198 /nfs/dbraw/zinc/25/01/98/632250198.db2.gz WMGYGWFWGGIONI-UONOGXRCSA-N 1 1 284.403 3.196 20 10 CGCDMO C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817958237 632253586 /nfs/dbraw/zinc/25/35/86/632253586.db2.gz UKYFZCSKPRKOAW-NEPJUHHUSA-N 1 1 282.815 3.086 20 10 CGCDMO C[C@@H](N[C@@H](C[NH3+])C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000817960594 632256020 /nfs/dbraw/zinc/25/60/20/632256020.db2.gz OAPNFNNBXFGDMZ-KDOFPFPSSA-N 1 1 287.451 3.065 20 10 CGCDMO CCCC[C@H](C[NH3+])N[C@@H](C)c1ccc(N(C)CC)cc1 ZINC000817962830 632258927 /nfs/dbraw/zinc/25/89/27/632258927.db2.gz LJGMYAHEBUVQOO-GOEBONIOSA-N 1 1 277.456 3.311 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817969372 632262663 /nfs/dbraw/zinc/26/26/63/632262663.db2.gz DDGBMLSRWINZSH-XVKPBYJWSA-N 1 1 277.195 3.087 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cc(Cl)ccc1[O-] ZINC000817970075 632262906 /nfs/dbraw/zinc/26/29/06/632262906.db2.gz KWVAFLJJFPJYFW-OBJOEFQTSA-N 1 1 282.815 3.356 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cc(Cl)ccc1[O-] ZINC000817975424 632267663 /nfs/dbraw/zinc/26/76/63/632267663.db2.gz NLRIRGBZRMPEMC-JHJVBQTASA-N 1 1 296.842 3.461 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1[O-] ZINC000817983055 632272471 /nfs/dbraw/zinc/27/24/71/632272471.db2.gz XSWJWDKYUSHYHB-GMXVVIOVSA-N 1 1 282.815 3.132 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@](C)(OC)C1CC1 ZINC000820851845 632687816 /nfs/dbraw/zinc/68/78/16/632687816.db2.gz TVIHLQGEHSWVFL-GOSISDBHSA-N 1 1 290.451 3.390 20 10 CGCDMO C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)c1ccc(F)cc1O ZINC000866512657 633168633 /nfs/dbraw/zinc/16/86/33/633168633.db2.gz NNARIOKURKFHSW-XTQGRXLLSA-N 1 1 293.382 3.387 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C[C@H]1C ZINC000824820934 633296174 /nfs/dbraw/zinc/29/61/74/633296174.db2.gz RCRBGGUYUOLQQJ-CXAGYDPISA-N 1 1 285.387 3.402 20 10 CGCDMO CCC[C@H](C)[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876582532 634862334 /nfs/dbraw/zinc/86/23/34/634862334.db2.gz RELVKMJZWGMZII-HNNXBMFYSA-N 1 1 290.451 3.268 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCSC[C@H]2C2CC2)c1 ZINC000824914369 633305163 /nfs/dbraw/zinc/30/51/63/633305163.db2.gz QYRQCJPNDIPEQD-AWEZNQCLSA-N 1 1 263.406 3.028 20 10 CGCDMO CCOc1cccc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c1O ZINC000824941451 633308997 /nfs/dbraw/zinc/30/89/97/633308997.db2.gz NQUFTNHGAWBSJT-WBVHZDCISA-N 1 1 287.403 3.411 20 10 CGCDMO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000825005948 633317743 /nfs/dbraw/zinc/31/77/43/633317743.db2.gz VSVFDUUZVSMGCZ-HNNXBMFYSA-N 1 1 298.434 3.354 20 10 CGCDMO Cc1cc([O-])c(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000825325532 633345489 /nfs/dbraw/zinc/34/54/89/633345489.db2.gz GZDVIARCLVAYAI-UONOGXRCSA-N 1 1 296.842 3.316 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](CCCO)C2)cc1 ZINC000825338858 633347389 /nfs/dbraw/zinc/34/73/89/633347389.db2.gz VWYKAUBBVYDHOC-MRXNPFEDSA-N 1 1 290.451 3.127 20 10 CGCDMO CS[C@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000826049056 633400380 /nfs/dbraw/zinc/40/03/80/633400380.db2.gz OEYGJYOSHNUFNR-NSHDSACASA-N 1 1 271.813 3.291 20 10 CGCDMO Cc1cnc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000122895626 633528208 /nfs/dbraw/zinc/52/82/08/633528208.db2.gz MRKMFJFNJBAYKE-LBPRGKRZSA-N 1 1 275.421 3.368 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](F)C2)c1O ZINC000846120520 636147282 /nfs/dbraw/zinc/14/72/82/636147282.db2.gz RFLFPXUHBDIRTO-LBPRGKRZSA-N 1 1 257.736 3.288 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](F)C2)c1O ZINC000846120520 636147284 /nfs/dbraw/zinc/14/72/84/636147284.db2.gz RFLFPXUHBDIRTO-LBPRGKRZSA-N 1 1 257.736 3.288 20 10 CGCDMO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000872131833 634052486 /nfs/dbraw/zinc/05/24/86/634052486.db2.gz AHPXMJQKHBUEAW-WCBMZHEXSA-N 1 1 293.317 3.181 20 10 CGCDMO CCCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cc1C ZINC000873060770 634238823 /nfs/dbraw/zinc/23/88/23/634238823.db2.gz MYBUGNYAHSMSLR-DOTOQJQBSA-N 1 1 290.451 3.356 20 10 CGCDMO CCCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000873060770 634238830 /nfs/dbraw/zinc/23/88/30/634238830.db2.gz MYBUGNYAHSMSLR-DOTOQJQBSA-N 1 1 290.451 3.356 20 10 CGCDMO CCCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000873060770 634238835 /nfs/dbraw/zinc/23/88/35/634238835.db2.gz MYBUGNYAHSMSLR-DOTOQJQBSA-N 1 1 290.451 3.356 20 10 CGCDMO CCCOc1ccc(C[NH2+][C@H]2CCc3cn[nH]c3C2)cc1C ZINC000873078491 634242849 /nfs/dbraw/zinc/24/28/49/634242849.db2.gz KNQCBKYWQLHVAO-INIZCTEOSA-N 1 1 299.418 3.154 20 10 CGCDMO CCCOc1ccc(C[NH2+][C@@H](C)c2ccn(C)n2)cc1C ZINC000873130544 634252573 /nfs/dbraw/zinc/25/25/73/634252573.db2.gz HNEKKOAXPBDEAS-AWEZNQCLSA-N 1 1 287.407 3.368 20 10 CGCDMO CCCOc1ccc(C[NH2+][C@@H]2CCn3ccnc32)cc1C ZINC000873129572 634253030 /nfs/dbraw/zinc/25/30/30/634253030.db2.gz RUBSTLHHHWBQMH-OAHLLOKOSA-N 1 1 285.391 3.215 20 10 CGCDMO C[C@H]([NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)C1CC[NH2+]CC1 ZINC000873272179 634314498 /nfs/dbraw/zinc/31/44/98/634314498.db2.gz QFMSDPLIWLAOIY-MJVIPROJSA-N 1 1 292.398 3.057 20 10 CGCDMO Cc1ccc(CC[NH2+]Cc2cc(Cl)c(F)cc2O)nc1 ZINC000835066608 634343997 /nfs/dbraw/zinc/34/39/97/634343997.db2.gz YZKJRYOGFIFGCN-UHFFFAOYSA-N 1 1 294.757 3.220 20 10 CGCDMO CC[C@H]1CCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876633698 634872074 /nfs/dbraw/zinc/87/20/74/634872074.db2.gz WKAYBCZJWNDEIG-INIZCTEOSA-N 1 1 288.435 3.022 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCCC[C@H]1c1ncc[nH]1 ZINC000876656237 634875922 /nfs/dbraw/zinc/87/59/22/634875922.db2.gz IQOSFNPNHREACT-AWEZNQCLSA-N 1 1 271.364 3.151 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000876771639 634896485 /nfs/dbraw/zinc/89/64/85/634896485.db2.gz VSTQQMMLNVRELV-QGZVFWFLSA-N 1 1 283.371 3.274 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccc(F)cc1O ZINC000840860557 635067548 /nfs/dbraw/zinc/06/75/48/635067548.db2.gz UPNKUWCPHDGWIA-XWIASGKRSA-N 1 1 269.385 3.466 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000840922971 635082701 /nfs/dbraw/zinc/08/27/01/635082701.db2.gz QNGPAIAIJSRALJ-UHFFFAOYSA-N 1 1 288.435 3.064 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c(Cl)c1 ZINC000840917748 635083019 /nfs/dbraw/zinc/08/30/19/635083019.db2.gz MEABOKBMVOQSMQ-NWDGAFQWSA-N 1 1 283.799 3.089 20 10 CGCDMO COC(C)(C)C[N@@H+](C)Cc1c(O)cc(C)cc1Cl ZINC000840920251 635083356 /nfs/dbraw/zinc/08/33/56/635083356.db2.gz UKTXPEQJPIAGGW-UHFFFAOYSA-N 1 1 271.788 3.211 20 10 CGCDMO Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(O)c1 ZINC000877564048 635092997 /nfs/dbraw/zinc/09/29/97/635092997.db2.gz WRXLQARGXFHYJZ-BBWFWOEESA-N 1 1 289.419 3.216 20 10 CGCDMO Cc1cccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1O ZINC000840956785 635093079 /nfs/dbraw/zinc/09/30/79/635093079.db2.gz FAGFSGQDNKKFOH-DLBZAZTESA-N 1 1 283.371 3.009 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC000840977718 635098919 /nfs/dbraw/zinc/09/89/19/635098919.db2.gz KAUIAYXWYQYJKO-CYBMUJFWSA-N 1 1 261.365 3.023 20 10 CGCDMO Oc1cccc2c1C[N@H+](Cc1ccc(C(F)F)nc1)C2 ZINC000877702720 635153988 /nfs/dbraw/zinc/15/39/88/635153988.db2.gz FFSGXNNALZBVOK-UHFFFAOYSA-N 1 1 276.286 3.241 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1ccc(C(F)F)nc1)C2 ZINC000877702720 635153991 /nfs/dbraw/zinc/15/39/91/635153991.db2.gz FFSGXNNALZBVOK-UHFFFAOYSA-N 1 1 276.286 3.241 20 10 CGCDMO Oc1cccc2c1C[N@@H+](C[C@H]1CCOc3ccccc31)C2 ZINC000877703157 635155985 /nfs/dbraw/zinc/15/59/85/635155985.db2.gz TZTQHDWKYLEILT-CQSZACIVSA-N 1 1 281.355 3.274 20 10 CGCDMO CCC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841755788 635229900 /nfs/dbraw/zinc/22/99/00/635229900.db2.gz RXYXUTBAHCUWLE-RYUDHWBXSA-N 1 1 285.815 3.495 20 10 CGCDMO CC(C)O[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000842609824 635416730 /nfs/dbraw/zinc/41/67/30/635416730.db2.gz HSGWKHMPQOIDTP-QGZVFWFLSA-N 1 1 289.419 3.270 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)cc1C ZINC000842644203 635425571 /nfs/dbraw/zinc/42/55/71/635425571.db2.gz RFBJITSPXSOQGR-CQSZACIVSA-N 1 1 275.392 3.152 20 10 CGCDMO CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000842919853 635512229 /nfs/dbraw/zinc/51/22/29/635512229.db2.gz ZEQQAUOKDZQRAY-WHOFXGATSA-N 1 1 283.387 3.369 20 10 CGCDMO CC1(C)CCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000127269211 635596052 /nfs/dbraw/zinc/59/60/52/635596052.db2.gz GWIABWFLGZJSIU-UHFFFAOYSA-N 1 1 292.398 3.037 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CC2(CCC2)O1 ZINC000843434579 635674171 /nfs/dbraw/zinc/67/41/71/635674171.db2.gz BHOBWDKBAMJYQQ-CYBMUJFWSA-N 1 1 292.398 3.035 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC2(CCC2)O1 ZINC000843434579 635674178 /nfs/dbraw/zinc/67/41/78/635674178.db2.gz BHOBWDKBAMJYQQ-CYBMUJFWSA-N 1 1 292.398 3.035 20 10 CGCDMO CCN(C)c1ccc(C[NH2+]C2(c3ncccn3)CCC2)cc1 ZINC000880366536 635982201 /nfs/dbraw/zinc/98/22/01/635982201.db2.gz NZLZDQVJBRDRHS-UHFFFAOYSA-N 1 1 296.418 3.102 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000846014789 636129863 /nfs/dbraw/zinc/12/98/63/636129863.db2.gz VQKSGHGREIOMEE-GOSISDBHSA-N 1 1 290.451 3.450 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000846110145 636145114 /nfs/dbraw/zinc/14/51/14/636145114.db2.gz ZLCKUISVJOWQAX-OAHLLOKOSA-N 1 1 297.345 3.412 20 10 CGCDMO CCCC[N@H+](C)C[C@H](C)N[C@@H](C)c1cccc(OC)c1O ZINC000846169609 636152795 /nfs/dbraw/zinc/15/27/95/636152795.db2.gz FVXIPSBUAQXCBX-KBPBESRZSA-N 1 1 294.439 3.172 20 10 CGCDMO CCCC[N@@H+](C)C[C@H](C)N[C@@H](C)c1cccc(OC)c1O ZINC000846169609 636152798 /nfs/dbraw/zinc/15/27/98/636152798.db2.gz FVXIPSBUAQXCBX-KBPBESRZSA-N 1 1 294.439 3.172 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)COCC1CC1)c1ccc(F)cc1O ZINC000846205174 636158610 /nfs/dbraw/zinc/15/86/10/636158610.db2.gz NRMNHPDIFNCMRH-ABAIWWIYSA-N 1 1 281.371 3.387 20 10 CGCDMO Cc1[nH+]ccn1CCN(C)c1ccc(-c2nccs2)cc1 ZINC000846997637 636305247 /nfs/dbraw/zinc/30/52/47/636305247.db2.gz XEGMGLNEOGIFMO-UHFFFAOYSA-N 1 1 298.415 3.451 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1COCc2ccccc21 ZINC000883146846 636556520 /nfs/dbraw/zinc/55/65/20/636556520.db2.gz BABPQCBKZQYEMO-OAHLLOKOSA-N 1 1 291.297 3.032 20 10 CGCDMO C[C@@H](Cc1ccccn1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000848566594 636609329 /nfs/dbraw/zinc/60/93/29/636609329.db2.gz BVKSFPVPHCGNGB-JTQLQIEISA-N 1 1 294.757 3.301 20 10 CGCDMO CCc1cccc(C[N@@H+](C)Cc2scnc2C)c1O ZINC000848886945 636674986 /nfs/dbraw/zinc/67/49/86/636674986.db2.gz YJEZYHWANFYMDJ-UHFFFAOYSA-N 1 1 276.405 3.352 20 10 CGCDMO CCc1cccc(C[N@@H+](C)CCC(=O)OC(C)(C)C)c1O ZINC000848887713 636675695 /nfs/dbraw/zinc/67/56/95/636675695.db2.gz CGTWQTQUDLOZTN-UHFFFAOYSA-N 1 1 293.407 3.118 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@H]2c2cn(C)nc2C)c1O ZINC000848890863 636677471 /nfs/dbraw/zinc/67/74/71/636677471.db2.gz UYGDGCPVHMCADQ-QGZVFWFLSA-N 1 1 299.418 3.334 20 10 CGCDMO CCc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1O ZINC000848911769 636686111 /nfs/dbraw/zinc/68/61/11/636686111.db2.gz YXYAIQDMOJIOTA-SJPCQFCGSA-N 1 1 288.435 3.012 20 10 CGCDMO CCc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC000848911769 636686115 /nfs/dbraw/zinc/68/61/15/636686115.db2.gz YXYAIQDMOJIOTA-SJPCQFCGSA-N 1 1 288.435 3.012 20 10 CGCDMO CCc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1O ZINC000848911769 636686120 /nfs/dbraw/zinc/68/61/20/636686120.db2.gz YXYAIQDMOJIOTA-SJPCQFCGSA-N 1 1 288.435 3.012 20 10 CGCDMO CCc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1O ZINC000848911769 636686124 /nfs/dbraw/zinc/68/61/24/636686124.db2.gz YXYAIQDMOJIOTA-SJPCQFCGSA-N 1 1 288.435 3.012 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@H](c3cccnc3)C2)c1O ZINC000848919317 636691320 /nfs/dbraw/zinc/69/13/20/636691320.db2.gz JSDDDFUAJYZEHF-INIZCTEOSA-N 1 1 282.387 3.339 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)c1O ZINC000135834676 637190739 /nfs/dbraw/zinc/19/07/39/637190739.db2.gz NVWHNTOZZWVDEJ-ONGXEEELSA-N 1 1 297.395 3.060 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c1O ZINC000135834676 637190742 /nfs/dbraw/zinc/19/07/42/637190742.db2.gz NVWHNTOZZWVDEJ-ONGXEEELSA-N 1 1 297.395 3.060 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1c(O)cccc1F ZINC000886489156 637538883 /nfs/dbraw/zinc/53/88/83/637538883.db2.gz BGKUMJOMUQSBEP-JTQLQIEISA-N 1 1 289.306 3.111 20 10 CGCDMO C[C@H]([NH2+]CCCOCC(F)(F)F)c1c(O)cccc1F ZINC000886501260 637543177 /nfs/dbraw/zinc/54/31/77/637543177.db2.gz CUQPFNSFYBWKSU-VIFPVBQESA-N 1 1 295.276 3.151 20 10 CGCDMO Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886530508 637555953 /nfs/dbraw/zinc/55/59/53/637555953.db2.gz LTUZWKGGNCPBDA-MWLCHTKSSA-N 1 1 292.354 3.418 20 10 CGCDMO Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886535030 637560171 /nfs/dbraw/zinc/56/01/71/637560171.db2.gz TXFCTEFPOMCLKZ-IUODEOHRSA-N 1 1 289.350 3.224 20 10 CGCDMO Cc1cccnc1CC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886618707 637611437 /nfs/dbraw/zinc/61/14/37/637611437.db2.gz IMARHHCSNSZYPA-LBPRGKRZSA-N 1 1 274.339 3.128 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1ccc(F)cc1O ZINC000886701482 637663033 /nfs/dbraw/zinc/66/30/33/637663033.db2.gz QDRVCEAIDJYPJO-WCQYABFASA-N 1 1 279.355 3.141 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)c1 ZINC000853630093 637876377 /nfs/dbraw/zinc/87/63/77/637876377.db2.gz NJVFMHBQHZFDAY-WBMJQRKESA-N 1 1 299.361 3.254 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)C[NH2+]C)c1ccc(Cl)c(Cl)c1[O-] ZINC000854233108 638030267 /nfs/dbraw/zinc/03/02/67/638030267.db2.gz XQMZIOBCQVSBSJ-LDYMZIIASA-N 1 1 291.222 3.348 20 10 CGCDMO Cc1occc1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858106226 638629354 /nfs/dbraw/zinc/62/93/54/638629354.db2.gz SVYKKOKIFBBDRQ-UHFFFAOYSA-N 1 1 280.318 3.222 20 10 CGCDMO CN(C)c1ccc(C[NH2+][C@H]2CCCc3scnc32)cc1 ZINC000858347281 638688720 /nfs/dbraw/zinc/68/87/20/638688720.db2.gz VHYJYCQAECUEAL-AWEZNQCLSA-N 1 1 287.432 3.376 20 10 CGCDMO COC[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1O)C(C)C ZINC000927096034 638841311 /nfs/dbraw/zinc/84/13/11/638841311.db2.gz IUYFBHVJMNTOIG-VXGBXAGGSA-N 1 1 269.360 3.101 20 10 CGCDMO COc1cc(C[N@H+]2CCc3sccc3C2)c(O)cc1C ZINC000159624260 640056704 /nfs/dbraw/zinc/05/67/04/640056704.db2.gz MMMXPVLHHRPMCT-UHFFFAOYSA-N 1 1 289.400 3.329 20 10 CGCDMO COC[C@H](C)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000189499384 640196168 /nfs/dbraw/zinc/19/61/68/640196168.db2.gz QHDOMACWLBLGTG-CQSZACIVSA-N 1 1 289.375 3.270 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](CC(C)(C)O)C2CC2)cc1 ZINC000189946782 640215779 /nfs/dbraw/zinc/21/57/79/640215779.db2.gz WEAFINAXVPICRE-UHFFFAOYSA-N 1 1 290.451 3.268 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCSC[C@H](C)C2)cc1C ZINC000192180762 640356186 /nfs/dbraw/zinc/35/61/86/640356186.db2.gz XRQOIDYZYMFFIO-LLVKDONJSA-N 1 1 265.422 3.194 20 10 CGCDMO CSCC[C@@H](C)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000079437952 640403068 /nfs/dbraw/zinc/40/30/68/640403068.db2.gz WECHWXKSBBJKNT-SNVBAGLBSA-N 1 1 299.411 3.307 20 10 CGCDMO CSCC[C@@H](C)[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000079437952 640403074 /nfs/dbraw/zinc/40/30/74/640403074.db2.gz WECHWXKSBBJKNT-SNVBAGLBSA-N 1 1 299.411 3.307 20 10 CGCDMO CCOc1cccc(C[N@H+]2C[C@@H](C)CC[C@H]2C)c1O ZINC000245902588 640646744 /nfs/dbraw/zinc/64/67/44/640646744.db2.gz LJRJFDQIOGWXIY-QWHCGFSZSA-N 1 1 263.381 3.411 20 10 CGCDMO CC[C@@H]1COCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000091980248 640727214 /nfs/dbraw/zinc/72/72/14/640727214.db2.gz MNBLMTDWGXIHJV-QGZVFWFLSA-N 1 1 288.435 3.288 20 10 CGCDMO C[N@H+](Cc1ccccc1O)Cc1cc(F)c(F)cc1F ZINC000091974656 640728340 /nfs/dbraw/zinc/72/83/40/640728340.db2.gz RXLVASKMHJVZKG-UHFFFAOYSA-N 1 1 281.277 3.442 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1cc(F)c(F)cc1F ZINC000091974656 640728346 /nfs/dbraw/zinc/72/83/46/640728346.db2.gz RXLVASKMHJVZKG-UHFFFAOYSA-N 1 1 281.277 3.442 20 10 CGCDMO C[C@@H]([NH2+]CCN1CCCC[C@H]1C)c1ccc(F)cc1O ZINC000248519059 640765166 /nfs/dbraw/zinc/76/51/66/640765166.db2.gz QHPUBKUMMJLVFP-CHWSQXEVSA-N 1 1 280.387 3.056 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2C[C@@H](C)O)cc1 ZINC000093483247 640772138 /nfs/dbraw/zinc/77/21/38/640772138.db2.gz GMSGVDVSQAPTAW-QAPCUYQASA-N 1 1 290.451 3.268 20 10 CGCDMO CN1CCC[C@H]([NH2+]Cc2cc3ccccc3cc2O)CC1 ZINC001254508138 806427625 /nfs/dbraw/zinc/42/76/25/806427625.db2.gz HBWLQBMSJKBKPW-KRWDZBQOSA-N 1 1 284.403 3.119 20 10 CGCDMO CC1(C)C[N@@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000029546530 798845379 /nfs/dbraw/zinc/84/53/79/798845379.db2.gz KBHPWADJNROKHQ-UHFFFAOYSA-N 1 1 271.360 3.156 20 10 CGCDMO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)[C@H](C)CO1 ZINC000403810488 799572608 /nfs/dbraw/zinc/57/26/08/799572608.db2.gz JOUHZPZPHUOJLI-ZWNOBZJWSA-N 1 1 299.798 3.054 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2O)[C@H](C)CO1 ZINC000403810488 799572613 /nfs/dbraw/zinc/57/26/13/799572613.db2.gz JOUHZPZPHUOJLI-ZWNOBZJWSA-N 1 1 299.798 3.054 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1ccc(F)cc1O ZINC000690398782 799775613 /nfs/dbraw/zinc/77/56/13/799775613.db2.gz VGUZIZRGLKKZMW-YPMHNXCESA-N 1 1 280.387 3.055 20 10 CGCDMO COc1ccc(C[NH2+][C@@H](C)c2cscn2)cc1C ZINC000697820475 799850173 /nfs/dbraw/zinc/85/01/73/799850173.db2.gz SRIIPAYMTDPWRR-NSHDSACASA-N 1 1 262.378 3.311 20 10 CGCDMO C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1ccc(F)cc1O ZINC000701933963 799900120 /nfs/dbraw/zinc/90/01/20/799900120.db2.gz CMHRSZNKZWHOQA-IUCAKERBSA-N 1 1 259.271 3.227 20 10 CGCDMO CC[N@@H+](Cc1c(O)cccc1Br)C(C)C ZINC000707128712 799973419 /nfs/dbraw/zinc/97/34/19/799973419.db2.gz AFUUWPCYYSKNNC-UHFFFAOYSA-N 1 1 272.186 3.385 20 10 CGCDMO CCC[N@@H+](CC)Cc1c(O)cccc1Br ZINC000707129637 799973782 /nfs/dbraw/zinc/97/37/82/799973782.db2.gz NBMZGEAFQUYCNK-UHFFFAOYSA-N 1 1 272.186 3.387 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1CC=CCC1 ZINC000708536268 799990263 /nfs/dbraw/zinc/99/02/63/799990263.db2.gz XOWXPQPSIBVHIM-JTQLQIEISA-N 1 1 253.292 3.116 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)[C@H]1CC[C@H](SC)C1 ZINC001116444858 802353187 /nfs/dbraw/zinc/35/31/87/802353187.db2.gz BQLNLJNJGCGKQT-RYUDHWBXSA-N 1 1 281.421 3.117 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@](CO)(C(C)C)C2)c(Cl)c1 ZINC001118012067 802518707 /nfs/dbraw/zinc/51/87/07/802518707.db2.gz MFDAADDVQORZJX-MRXNPFEDSA-N 1 1 297.826 3.194 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)[C@H]2CC[C@H](SC)C2)c1O ZINC001119496077 802672038 /nfs/dbraw/zinc/67/20/38/802672038.db2.gz HAAOZMBFZINISQ-KBPBESRZSA-N 1 1 295.448 3.425 20 10 CGCDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1O)C(C)(C)C ZINC001119971230 802716869 /nfs/dbraw/zinc/71/68/69/802716869.db2.gz JGGQNYVHBLPJMM-UHFFFAOYSA-N 1 1 267.369 3.030 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(N)cc2)C[C@@H](c2ccccc2)O1 ZINC001120370842 802742601 /nfs/dbraw/zinc/74/26/01/802742601.db2.gz HFCZNANCPHISME-KSSFIOAISA-N 1 1 282.387 3.231 20 10 CGCDMO Cn1ccc2c1cc[nH+]c2-c1cncn1Cc1ccccc1 ZINC001245195899 803660073 /nfs/dbraw/zinc/66/00/73/803660073.db2.gz YDMKJJBRTDOETD-UHFFFAOYSA-N 1 1 288.354 3.485 20 10 CGCDMO C[N@@H+](CCc1cccc(F)c1)Cc1c([O-])cccc1F ZINC001137840246 803780443 /nfs/dbraw/zinc/78/04/43/803780443.db2.gz ULWYGZACSHRUMO-UHFFFAOYSA-N 1 1 277.314 3.345 20 10 CGCDMO C[N@H+](CCc1cccc(F)c1)Cc1c(O)cccc1F ZINC001137840246 803780447 /nfs/dbraw/zinc/78/04/47/803780447.db2.gz ULWYGZACSHRUMO-UHFFFAOYSA-N 1 1 277.314 3.345 20 10 CGCDMO C[N@@H+](CCc1cccc(F)c1)Cc1c(O)cccc1F ZINC001137840246 803780453 /nfs/dbraw/zinc/78/04/53/803780453.db2.gz ULWYGZACSHRUMO-UHFFFAOYSA-N 1 1 277.314 3.345 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001137837847 803781048 /nfs/dbraw/zinc/78/10/48/803781048.db2.gz WZNJHWGFJRWLCD-SECBINFHSA-N 1 1 277.261 3.306 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001137837847 803781055 /nfs/dbraw/zinc/78/10/55/803781055.db2.gz WZNJHWGFJRWLCD-SECBINFHSA-N 1 1 277.261 3.306 20 10 CGCDMO Cc1cc(C[N@H+]2CCCC[C@H](O)C2)c(C)n1-c1ccccc1 ZINC001137854194 803785075 /nfs/dbraw/zinc/78/50/75/803785075.db2.gz LXOPBMOIQHRYQO-IBGZPJMESA-N 1 1 298.430 3.441 20 10 CGCDMO C[C@H]1CC[N@H+](Cc2cccc(F)c2O)CCC1(F)F ZINC001138122601 803860411 /nfs/dbraw/zinc/86/04/11/803860411.db2.gz PJMNTCJQMLQJIB-JTQLQIEISA-N 1 1 273.298 3.399 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cccc(F)c2O)CCC1(F)F ZINC001138122601 803860420 /nfs/dbraw/zinc/86/04/20/803860420.db2.gz PJMNTCJQMLQJIB-JTQLQIEISA-N 1 1 273.298 3.399 20 10 CGCDMO CC1(C)C[N@@H+](Cc2cccc(F)c2O)CCC1(F)F ZINC001138123893 803862583 /nfs/dbraw/zinc/86/25/83/803862583.db2.gz QEGYQDCIENKZPE-UHFFFAOYSA-N 1 1 273.298 3.399 20 10 CGCDMO CC1(C)C[N@@H+](Cc2cccc(F)c2[O-])CCC1(F)F ZINC001138123893 803862568 /nfs/dbraw/zinc/86/25/68/803862568.db2.gz QEGYQDCIENKZPE-UHFFFAOYSA-N 1 1 273.298 3.399 20 10 CGCDMO CC1(C)C[N@H+](Cc2cccc(F)c2O)CCC1(F)F ZINC001138123893 803862576 /nfs/dbraw/zinc/86/25/76/803862576.db2.gz QEGYQDCIENKZPE-UHFFFAOYSA-N 1 1 273.298 3.399 20 10 CGCDMO [O-]c1c(F)cccc1C[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001138123699 803862714 /nfs/dbraw/zinc/86/27/14/803862714.db2.gz IBPHPIJCBVKOLH-PHIMTYICSA-N 1 1 271.282 3.008 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001138123699 803862722 /nfs/dbraw/zinc/86/27/22/803862722.db2.gz IBPHPIJCBVKOLH-PHIMTYICSA-N 1 1 271.282 3.008 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001138123699 803862730 /nfs/dbraw/zinc/86/27/30/803862730.db2.gz IBPHPIJCBVKOLH-PHIMTYICSA-N 1 1 271.282 3.008 20 10 CGCDMO Cc1c(C[N@@H+]2CC[C@H](C)[C@@H](O)CC2)c2ccccc2n1C ZINC001138252280 803880460 /nfs/dbraw/zinc/88/04/60/803880460.db2.gz AKPLSGHEHSBRTR-UGSOOPFHSA-N 1 1 286.419 3.080 20 10 CGCDMO Cc1c(C[N@H+]2CCC[C@@](C)(O)CC2)c2ccccc2n1C ZINC001138252431 803880872 /nfs/dbraw/zinc/88/08/72/803880872.db2.gz HGCZJTIMCURWSQ-GOSISDBHSA-N 1 1 286.419 3.224 20 10 CGCDMO Cc1c(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c2ccccc2n1C ZINC001138252784 803882935 /nfs/dbraw/zinc/88/29/35/803882935.db2.gz UWPAAFJHGFAKMN-KXBFYZLASA-N 1 1 298.430 3.488 20 10 CGCDMO Cc1c(C[N@H+]2CCC[C@H](CO)CC2)c2ccccc2n1C ZINC001138252720 803882958 /nfs/dbraw/zinc/88/29/58/803882958.db2.gz RSTIXIBQMUNROQ-HNNXBMFYSA-N 1 1 286.419 3.081 20 10 CGCDMO Cc1c(C[NH+]2CCN(C3CCC3)CC2)c2ccccc2n1C ZINC001138252909 803883122 /nfs/dbraw/zinc/88/31/22/803883122.db2.gz XKRZBFHUDCBTBQ-UHFFFAOYSA-N 1 1 297.446 3.157 20 10 CGCDMO Cc1c(C[N@H+]2CC[C@]3(CCN(C)C3)C2)c2ccccc2n1C ZINC001138257919 803884449 /nfs/dbraw/zinc/88/44/49/803884449.db2.gz CUGGJGQICHQQLB-IBGZPJMESA-N 1 1 297.446 3.014 20 10 CGCDMO Cc1c(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)c2ccccc2n1C ZINC001138257919 803884458 /nfs/dbraw/zinc/88/44/58/803884458.db2.gz CUGGJGQICHQQLB-IBGZPJMESA-N 1 1 297.446 3.014 20 10 CGCDMO Cc1c(C[N@H+]2CCC[C@]3(CCO3)C2)c2ccccc2n1C ZINC001138258409 803885202 /nfs/dbraw/zinc/88/52/02/803885202.db2.gz RSQYNGDUSHLDLU-SFHVURJKSA-N 1 1 284.403 3.242 20 10 CGCDMO CN1CCCc2cc(C[N@@H+](C)C[C@H]3CCCCO3)ccc21 ZINC001138356168 803901152 /nfs/dbraw/zinc/90/11/52/803901152.db2.gz BIWJIKVMKAVHSY-QGZVFWFLSA-N 1 1 288.435 3.070 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](F)C2)c(OC)c1 ZINC001138390228 803912466 /nfs/dbraw/zinc/91/24/66/803912466.db2.gz ZRWGRTIIGCIVIK-HNNXBMFYSA-N 1 1 294.414 3.475 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](F)C2)c(OC)c1 ZINC001138390228 803912473 /nfs/dbraw/zinc/91/24/73/803912473.db2.gz ZRWGRTIIGCIVIK-HNNXBMFYSA-N 1 1 294.414 3.475 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCc3cccc(O)c3C2)s1 ZINC001138493684 803950763 /nfs/dbraw/zinc/95/07/63/803950763.db2.gz TWSOGQRWYITCLY-UHFFFAOYSA-N 1 1 288.416 3.078 20 10 CGCDMO C[N@@H+](CCC(=O)c1cccs1)Cc1cc(F)ccc1O ZINC001140058713 804366203 /nfs/dbraw/zinc/36/62/03/804366203.db2.gz IXSUTRFJGVHVTE-UHFFFAOYSA-N 1 1 293.363 3.298 20 10 CGCDMO Oc1cccc(Br)c1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001140103956 804377866 /nfs/dbraw/zinc/37/78/66/804377866.db2.gz VNSNPTYKTMHQHT-JOYOIKCWSA-N 1 1 282.181 3.139 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c1O ZINC001140181990 804396034 /nfs/dbraw/zinc/39/60/34/804396034.db2.gz ZMBORHUVJCJIOX-OCCSQVGLSA-N 1 1 281.346 3.486 20 10 CGCDMO COCC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001140466965 804444041 /nfs/dbraw/zinc/44/40/41/804444041.db2.gz NWHHRVDLALHJTG-AWEZNQCLSA-N 1 1 283.799 3.437 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CCc3nc(Cl)ccc3C2)c1 ZINC001140621359 804476540 /nfs/dbraw/zinc/47/65/40/804476540.db2.gz YRYXPTXJUSDNLD-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCc3nc(Cl)ccc3C2)c1 ZINC001140621359 804476547 /nfs/dbraw/zinc/47/65/47/804476547.db2.gz YRYXPTXJUSDNLD-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO CCC[N@@H+](Cc1ccc(O)c(C)c1O)[C@@H](C)CC ZINC001140741785 804503505 /nfs/dbraw/zinc/50/35/05/804503505.db2.gz BXTCGLOMRDCEDR-NSHDSACASA-N 1 1 251.370 3.417 20 10 CGCDMO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(N(C)C)cc1Cl ZINC001140921640 804549034 /nfs/dbraw/zinc/54/90/34/804549034.db2.gz LHQRAJBEVMIPFM-ZYHUDNBSSA-N 1 1 270.779 3.338 20 10 CGCDMO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(N(C)C)cc1Cl ZINC001140921640 804549036 /nfs/dbraw/zinc/54/90/36/804549036.db2.gz LHQRAJBEVMIPFM-ZYHUDNBSSA-N 1 1 270.779 3.338 20 10 CGCDMO Cc1ccc(C[N@H+](C(C)C)C2CCOCC2)c(O)c1 ZINC001140954468 804557883 /nfs/dbraw/zinc/55/78/83/804557883.db2.gz SVMZQAZQXPMDFX-UHFFFAOYSA-N 1 1 263.381 3.090 20 10 CGCDMO Cc1ccn2cc(C[N@H+](C)Cc3ccc(C)cc3O)nc2c1 ZINC001140954818 804558104 /nfs/dbraw/zinc/55/81/04/804558104.db2.gz LZMAWBPORBGIQV-UHFFFAOYSA-N 1 1 295.386 3.289 20 10 CGCDMO Cc1ccc(C[N@@H+](C)CCc2cccs2)c(O)c1 ZINC001140950016 804558867 /nfs/dbraw/zinc/55/88/67/804558867.db2.gz QUDAJZVXEXAIGE-UHFFFAOYSA-N 1 1 261.390 3.437 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c(OC)c1 ZINC001141026662 804572859 /nfs/dbraw/zinc/57/28/59/804572859.db2.gz YOFMRVQRAZBVIE-QWHCGFSZSA-N 1 1 291.391 3.031 20 10 CGCDMO COc1cc(O)c(C[N@@H+]2Cc3cccc(C)c3C2)c(OC)c1 ZINC001141031784 804574512 /nfs/dbraw/zinc/57/45/12/804574512.db2.gz LHPPNWLCMWPWIZ-UHFFFAOYSA-N 1 1 299.370 3.234 20 10 CGCDMO COc1cc(O)c(C[N@H+]2Cc3cccc(C)c3C2)c(OC)c1 ZINC001141031784 804574515 /nfs/dbraw/zinc/57/45/15/804574515.db2.gz LHPPNWLCMWPWIZ-UHFFFAOYSA-N 1 1 299.370 3.234 20 10 CGCDMO C[N@H+](Cc1cc2c3c(c1)CCCN3CCC2)CC1CC1 ZINC001141074534 804585441 /nfs/dbraw/zinc/58/54/41/804585441.db2.gz LCLCHOYXXPSBAX-UHFFFAOYSA-N 1 1 270.420 3.227 20 10 CGCDMO CN1CCOc2cc(C[N@@H+](C)Cc3ccsc3)ccc21 ZINC001141143521 804596755 /nfs/dbraw/zinc/59/67/55/804596755.db2.gz CGFRGWMRMUNKAJ-UHFFFAOYSA-N 1 1 288.416 3.209 20 10 CGCDMO CC[N@@H+](Cc1cccc(N(C)C)c1)Cc1ccccc1O ZINC001141268521 804625580 /nfs/dbraw/zinc/62/55/80/804625580.db2.gz PVBZLJFYJUPSIN-UHFFFAOYSA-N 1 1 284.403 3.480 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH+]1CCCCCCC1 ZINC001142525058 804732303 /nfs/dbraw/zinc/73/23/03/804732303.db2.gz VNBFHOLFFZSFBV-UHFFFAOYSA-N 1 1 255.308 3.437 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)CCC[C@@H]1O ZINC001143104060 804802152 /nfs/dbraw/zinc/80/21/52/804802152.db2.gz OVCCFRXUKPIBHZ-BBRMVZONSA-N 1 1 291.435 3.283 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)CCC[C@H]1O ZINC001143104063 804802168 /nfs/dbraw/zinc/80/21/68/804802168.db2.gz OVCCFRXUKPIBHZ-CZUORRHYSA-N 1 1 291.435 3.283 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CCCC[C@H](O)C2)c1O ZINC001143104234 804802432 /nfs/dbraw/zinc/80/24/32/804802432.db2.gz RJLBZLWFRDDMBP-AWEZNQCLSA-N 1 1 277.408 3.037 20 10 CGCDMO C[C@H]1COCC[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143104610 804802526 /nfs/dbraw/zinc/80/25/26/804802526.db2.gz WDGJNBLNNVJEQT-CYBMUJFWSA-N 1 1 277.408 3.158 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H](C)[NH3+])n2)cc1 ZINC001247941334 804854048 /nfs/dbraw/zinc/85/40/48/804854048.db2.gz WZDMASFWZLGKGC-GFCCVEGCSA-N 1 1 282.347 3.164 20 10 CGCDMO CCC[N@@H+](Cc1ccc(CC(=O)OC)cc1O)[C@@H](C)CC ZINC001249171510 805104673 /nfs/dbraw/zinc/10/46/73/805104673.db2.gz CTLCTFPMOSVDEA-ZDUSSCGKSA-N 1 1 293.407 3.118 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257099133 807052300 /nfs/dbraw/zinc/05/23/00/807052300.db2.gz MOIXSDKIPDDIPI-AGGWBTHJSA-N 1 1 263.381 3.170 20 10 CGCDMO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NCc1ccc(N3CCCC3)cc1)C2 ZINC001169095313 807573579 /nfs/dbraw/zinc/57/35/79/807573579.db2.gz PDTWTQGKGZXQAQ-GGPHIMKMSA-N 1 1 299.462 3.002 20 10 CGCDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCc1ccc(N3CCCC3)cc1)C2 ZINC001169095313 807573583 /nfs/dbraw/zinc/57/35/83/807573583.db2.gz PDTWTQGKGZXQAQ-GGPHIMKMSA-N 1 1 299.462 3.002 20 10 CGCDMO CC(C)(C)c1cc[nH+]c(NCc2ccc(O)c(O)c2)c1 ZINC001169996508 807736620 /nfs/dbraw/zinc/73/66/20/807736620.db2.gz AKPSMXAUNSXVIG-UHFFFAOYSA-N 1 1 272.348 3.402 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2ccc(N)cc2)[C@H](c2ccccc2)CO1 ZINC001262488212 807868017 /nfs/dbraw/zinc/86/80/17/807868017.db2.gz UTDHFUBQQHAGQF-KDOFPFPSSA-N 1 1 282.387 3.231 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N)cc2)[C@H](c2ccccc2)CO1 ZINC001262488212 807868026 /nfs/dbraw/zinc/86/80/26/807868026.db2.gz UTDHFUBQQHAGQF-KDOFPFPSSA-N 1 1 282.387 3.231 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@H](C)CCOC(C)C ZINC001172458096 808329551 /nfs/dbraw/zinc/32/95/51/808329551.db2.gz YEWSZNUDDHEYOL-CQSZACIVSA-N 1 1 265.397 3.418 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@]3(CCCN(C)C3)C2)c(O)c1 ZINC001276168677 808990524 /nfs/dbraw/zinc/99/05/24/808990524.db2.gz HVKPNQGZTJHGMP-SFHVURJKSA-N 1 1 288.435 3.008 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCC[C@]3(CCCN(C)C3)C2)c(O)c1 ZINC001276168677 808990530 /nfs/dbraw/zinc/99/05/30/808990530.db2.gz HVKPNQGZTJHGMP-SFHVURJKSA-N 1 1 288.435 3.008 20 10 CGCDMO C[N@H+]1CCC=C(N(Cc2ccccc2)c2ccc(N)cc2)C1 ZINC001175580441 809461130 /nfs/dbraw/zinc/46/11/30/809461130.db2.gz OMPUTRFRFHSERZ-UHFFFAOYSA-N 1 1 293.414 3.495 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC001183371723 810146641 /nfs/dbraw/zinc/14/66/41/810146641.db2.gz SAJDFVQTJBGYQO-CVEARBPZSA-N 1 1 290.476 3.246 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1ccc3[nH]ccc3c1)C2 ZINC001183454804 810148948 /nfs/dbraw/zinc/14/89/48/810148948.db2.gz OMBBVDFHVJXGNW-UHFFFAOYSA-N 1 1 264.328 3.389 20 10 CGCDMO CCc1cccc(C[NH+]2CC(Oc3ccccc3)C2)c1O ZINC001184429269 810199082 /nfs/dbraw/zinc/19/90/82/810199082.db2.gz VEZQXNLANUVMDD-UHFFFAOYSA-N 1 1 283.371 3.218 20 10 CGCDMO Cn1c[nH+]c2cc(NCc3ccc4nccnc4c3)ccc21 ZINC001201114278 811787898 /nfs/dbraw/zinc/78/78/98/811787898.db2.gz BEASAOWKOPJSLM-UHFFFAOYSA-N 1 1 289.342 3.129 20 10 CGCDMO CCC(CC)C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001201535989 811890826 /nfs/dbraw/zinc/89/08/26/811890826.db2.gz SLKQRALJIBPHRW-UHFFFAOYSA-N 1 1 263.381 3.282 20 10 CGCDMO CC(C)(C)CC[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001202096729 812015347 /nfs/dbraw/zinc/01/53/47/812015347.db2.gz ORFWTLITRQOCPZ-UHFFFAOYSA-N 1 1 263.381 3.282 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)c1O ZINC001203595553 812403883 /nfs/dbraw/zinc/40/38/83/812403883.db2.gz IJFBFCHDGPQQTM-MRXNPFEDSA-N 1 1 298.386 3.003 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c1O ZINC001203603956 812405266 /nfs/dbraw/zinc/40/52/66/812405266.db2.gz XUPQGHNVTOGWHN-ZIAGYGMSSA-N 1 1 275.392 3.413 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H](C)C2)c(O)c1 ZINC001203621312 812409557 /nfs/dbraw/zinc/40/95/57/812409557.db2.gz SOWSXKQCYRUNCH-OLZOCXBDSA-N 1 1 263.381 3.269 20 10 CGCDMO COc1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c(O)c1 ZINC001203621378 812409784 /nfs/dbraw/zinc/40/97/84/812409784.db2.gz BZSJGOAIUSFPEX-QWHCGFSZSA-N 1 1 261.365 3.023 20 10 CGCDMO COC[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)C(C)C ZINC001203809963 812468731 /nfs/dbraw/zinc/46/87/31/812468731.db2.gz OJBJTGSSWPISBV-SNVBAGLBSA-N 1 1 289.778 3.193 20 10 CGCDMO C[N@@H+](Cc1cccc(Cl)c1)Cc1ccc(O)c(O)c1 ZINC001203878175 812477974 /nfs/dbraw/zinc/47/79/74/812477974.db2.gz CHZFOHCZXWIUBY-UHFFFAOYSA-N 1 1 277.751 3.383 20 10 CGCDMO Oc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2)cc1O ZINC001203879685 812478901 /nfs/dbraw/zinc/47/89/01/812478901.db2.gz XWTUIXRUEMCNOO-HNNXBMFYSA-N 1 1 269.344 3.435 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)cc1 ZINC001203930549 812494704 /nfs/dbraw/zinc/49/47/04/812494704.db2.gz YIAYDIKBOGBNDQ-IRXDYDNUSA-N 1 1 286.419 3.086 20 10 CGCDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(N(CC)CC)cc2)C1 ZINC001203942829 812497924 /nfs/dbraw/zinc/49/79/24/812497924.db2.gz SFNAHPQNZXRAJT-QGZVFWFLSA-N 1 1 276.424 3.144 20 10 CGCDMO C[C@@H]1COCC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204233237 812579780 /nfs/dbraw/zinc/57/97/80/812579780.db2.gz PEXRFZBAZQXGPQ-CQSZACIVSA-N 1 1 284.403 3.127 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@H]2CO)c2ccccc21 ZINC001204233011 812580063 /nfs/dbraw/zinc/58/00/63/812580063.db2.gz NGJMYDAYMUZIJN-INIZCTEOSA-N 1 1 298.430 3.253 20 10 CGCDMO COC[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204232981 812580096 /nfs/dbraw/zinc/58/00/96/812580096.db2.gz MOLIDAFYCFRNOO-HNNXBMFYSA-N 1 1 298.430 3.374 20 10 CGCDMO COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(O)cc2O)cc1 ZINC001204278894 812594728 /nfs/dbraw/zinc/59/47/28/812594728.db2.gz MEJODFUQUKRHFR-LBPRGKRZSA-N 1 1 287.359 3.299 20 10 CGCDMO CC(C)C[N@@H+](Cc1cc(F)c(F)cc1[O-])C1CC1 ZINC001204411787 812631846 /nfs/dbraw/zinc/63/18/46/812631846.db2.gz RVYFCFKRONPPOK-UHFFFAOYSA-N 1 1 255.308 3.291 20 10 CGCDMO CC(C)C[N@H+](Cc1cc(F)c(F)cc1O)C1CC1 ZINC001204411787 812631849 /nfs/dbraw/zinc/63/18/49/812631849.db2.gz RVYFCFKRONPPOK-UHFFFAOYSA-N 1 1 255.308 3.291 20 10 CGCDMO CC(C)C[N@@H+](Cc1cc(F)c(F)cc1O)C1CC1 ZINC001204411787 812631851 /nfs/dbraw/zinc/63/18/51/812631851.db2.gz RVYFCFKRONPPOK-UHFFFAOYSA-N 1 1 255.308 3.291 20 10 CGCDMO Oc1c(F)cccc1C[NH2+]C/C=C\c1ccccc1 ZINC001204984572 812810081 /nfs/dbraw/zinc/81/00/81/812810081.db2.gz LDFLDKGSXWDSBR-YVMONPNESA-N 1 1 257.308 3.334 20 10 CGCDMO Oc1cc(Cl)ccc1C[NH2+]C1(C2CC2)CCOCC1 ZINC001205262537 812920437 /nfs/dbraw/zinc/92/04/37/812920437.db2.gz WDXWENKICHBJBQ-UHFFFAOYSA-N 1 1 281.783 3.094 20 10 CGCDMO CCC[C@]1(COC)CCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001205541493 812998387 /nfs/dbraw/zinc/99/83/87/812998387.db2.gz QVKYEAZWPLLGQM-MRXNPFEDSA-N 1 1 299.361 3.452 20 10 CGCDMO CCC[C@]1(COC)CCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001205541493 812998392 /nfs/dbraw/zinc/99/83/92/812998392.db2.gz QVKYEAZWPLLGQM-MRXNPFEDSA-N 1 1 299.361 3.452 20 10 CGCDMO CC[N@@H+](Cc1c(C)cc(OC)cc1O)C1CCCC1 ZINC001205746722 813066066 /nfs/dbraw/zinc/06/60/66/813066066.db2.gz BDFWZHWHSPSVKL-UHFFFAOYSA-N 1 1 263.381 3.474 20 10 CGCDMO C[C@@H]1CC[C@H](CN)[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001205829740 813100289 /nfs/dbraw/zinc/10/02/89/813100289.db2.gz PNVXKOQDLMELRE-UKRRQHHQSA-N 1 1 284.403 3.105 20 10 CGCDMO Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1Cl ZINC001206012234 813165030 /nfs/dbraw/zinc/16/50/30/813165030.db2.gz JDSRYARPESEJDO-STQMWFEESA-N 1 1 296.842 3.161 20 10 CGCDMO Cc1cc([O-])c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1Cl ZINC001206012234 813165035 /nfs/dbraw/zinc/16/50/35/813165035.db2.gz JDSRYARPESEJDO-STQMWFEESA-N 1 1 296.842 3.161 20 10 CGCDMO CC[C@H]([NH2+]Cc1cccc(F)c1O)[C@@H]1CC1(C)C ZINC001206335436 813294269 /nfs/dbraw/zinc/29/42/69/813294269.db2.gz HOIHNZSANOXYBT-AAEUAGOBSA-N 1 1 251.345 3.446 20 10 CGCDMO C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001206566340 813356751 /nfs/dbraw/zinc/35/67/51/813356751.db2.gz ZVZUFILCQXATGY-IBGZPJMESA-N 1 1 298.430 3.496 20 10 CGCDMO C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001206566340 813356756 /nfs/dbraw/zinc/35/67/56/813356756.db2.gz ZVZUFILCQXATGY-IBGZPJMESA-N 1 1 298.430 3.496 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1cc[nH]c(=O)c1 ZINC001207122075 813489782 /nfs/dbraw/zinc/48/97/82/813489782.db2.gz CQBDYFJTKIXVOY-UHFFFAOYSA-N 1 1 297.402 3.019 20 10 CGCDMO CC1(C)CC2(CC([NH2+]Cc3ccc(Cl)cc3O)C2)CO1 ZINC001207735645 813641754 /nfs/dbraw/zinc/64/17/54/813641754.db2.gz MVIXTHWYTYHZMP-UHFFFAOYSA-N 1 1 295.810 3.483 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222272097 816392672 /nfs/dbraw/zinc/39/26/72/816392672.db2.gz NRIWANOCLXQKBT-INIZCTEOSA-N 1 1 294.826 3.011 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)c1O ZINC001231593123 818132362 /nfs/dbraw/zinc/13/23/62/818132362.db2.gz NHOLVJDUOYDCKS-OAHLLOKOSA-N 1 1 268.360 3.085 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@H](c3cccnc3)C2)c(O)c1 ZINC001231844296 818187902 /nfs/dbraw/zinc/18/79/02/818187902.db2.gz IDPFRATYTBDUDA-INIZCTEOSA-N 1 1 282.387 3.394 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCCC(F)(F)CC1 ZINC001231849339 818188334 /nfs/dbraw/zinc/18/83/34/818188334.db2.gz RKDQFAXCYMBXJS-UHFFFAOYSA-N 1 1 298.377 3.382 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@]3(C2)CCCOC3)c(O)c1 ZINC001231850033 818188837 /nfs/dbraw/zinc/18/88/37/818188837.db2.gz ZEMNWCDIPLANHE-KRWDZBQOSA-N 1 1 275.392 3.012 20 10 CGCDMO Cc1cc(C)c(C[N@H+](C(C)C)C2CCN(C)CC2)c(O)c1 ZINC001231850452 818188862 /nfs/dbraw/zinc/18/88/62/818188862.db2.gz PZMABESWFPLWQD-UHFFFAOYSA-N 1 1 290.451 3.314 20 10 CGCDMO CC[N@@H+](CCn1ccnc1)Cc1cc(Cl)c(C)cc1O ZINC001231870310 818193921 /nfs/dbraw/zinc/19/39/21/818193921.db2.gz STERGBCDPTUWJO-UHFFFAOYSA-N 1 1 293.798 3.073 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)cc1Cl ZINC001231871979 818193938 /nfs/dbraw/zinc/19/39/38/818193938.db2.gz TWZUEPIIZGQQTI-DGCLKSJQSA-N 1 1 293.794 3.155 20 10 CGCDMO CC(C)[C@@H]1COCC[N@H+]1Cc1ccc2ccccc2c1O ZINC001231881350 818200328 /nfs/dbraw/zinc/20/03/28/818200328.db2.gz VVHDIVFZADQPQE-KRWDZBQOSA-N 1 1 285.387 3.402 20 10 CGCDMO CC(C)[N@@H+](C)[C@@H]1CCN(Cc2ccc3ccccc3c2O)C1 ZINC001231883314 818201061 /nfs/dbraw/zinc/20/10/61/818201061.db2.gz OAHGCCFVLKYEND-QGZVFWFLSA-N 1 1 298.430 3.460 20 10 CGCDMO CC(C)N(C)[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231883314 818201064 /nfs/dbraw/zinc/20/10/64/818201064.db2.gz OAHGCCFVLKYEND-QGZVFWFLSA-N 1 1 298.430 3.460 20 10 CGCDMO CC(C)N(C)[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231883314 818201072 /nfs/dbraw/zinc/20/10/72/818201072.db2.gz OAHGCCFVLKYEND-QGZVFWFLSA-N 1 1 298.430 3.460 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)Cc1ccc(C)nc1C ZINC001232085449 818251936 /nfs/dbraw/zinc/25/19/36/818251936.db2.gz ZSMGRXKBWQKNAM-UHFFFAOYSA-N 1 1 270.376 3.426 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CCC23CCCC3)cc1Cl ZINC001232258398 818296013 /nfs/dbraw/zinc/29/60/13/818296013.db2.gz WXDOTKYPLXNMSO-UHFFFAOYSA-N 1 1 267.756 3.270 20 10 CGCDMO CC(C)[NH+](Cc1cc(Cl)c(O)cc1O)C(C)C ZINC001232257445 818296029 /nfs/dbraw/zinc/29/60/29/818296029.db2.gz CVDNLKPLNWRUJK-UHFFFAOYSA-N 1 1 257.761 3.370 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2O)[C@@H](C)C1 ZINC001232839718 818453070 /nfs/dbraw/zinc/45/30/70/818453070.db2.gz UVHBXIYDIYXNCT-OLZOCXBDSA-N 1 1 262.397 3.079 20 10 CGCDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1O ZINC001232840356 818453436 /nfs/dbraw/zinc/45/34/36/818453436.db2.gz UXZZKZUTPJQGQU-CQSZACIVSA-N 1 1 262.397 3.223 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2O)[C@@H](C)C1 ZINC001232839720 818453446 /nfs/dbraw/zinc/45/34/46/818453446.db2.gz UVHBXIYDIYXNCT-STQMWFEESA-N 1 1 262.397 3.079 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)c(O)c1 ZINC001232838508 818453561 /nfs/dbraw/zinc/45/35/61/818453561.db2.gz GSYXZUBEMDTPQS-KRWDZBQOSA-N 1 1 297.402 3.190 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233284158 818565252 /nfs/dbraw/zinc/56/52/52/818565252.db2.gz KLCBECKFXYPGJZ-HNNXBMFYSA-N 1 1 277.408 3.301 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c1 ZINC001233286961 818568505 /nfs/dbraw/zinc/56/85/05/818568505.db2.gz QGZSHYCQLAKTEU-QKDCVEJESA-N 1 1 277.383 3.337 20 10 CGCDMO [O-]c1ccc(F)c(F)c1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001233335271 818586894 /nfs/dbraw/zinc/58/68/94/818586894.db2.gz OHXXXMLWDBNOGD-MFKMUULPSA-N 1 1 267.319 3.435 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001233335271 818586898 /nfs/dbraw/zinc/58/68/98/818586898.db2.gz OHXXXMLWDBNOGD-MFKMUULPSA-N 1 1 267.319 3.435 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001233335271 818586903 /nfs/dbraw/zinc/58/69/03/818586903.db2.gz OHXXXMLWDBNOGD-MFKMUULPSA-N 1 1 267.319 3.435 20 10 CGCDMO C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(O)c(O)cc1O ZINC001233485846 818625124 /nfs/dbraw/zinc/62/51/24/818625124.db2.gz NFJWGRYRMRJRSG-UHFFFAOYSA-N 1 1 293.750 3.089 20 10 CGCDMO COC(=O)CC[N@@H+](C)Cc1cccc(-c2ccccc2)c1O ZINC001234998254 818971319 /nfs/dbraw/zinc/97/13/19/818971319.db2.gz IUXTZPAEAPLKCD-UHFFFAOYSA-N 1 1 299.370 3.054 20 10 CGCDMO CC[N@@H+](Cc1cccc(-c2ccccc2)c1O)C1CN(C)C1 ZINC001234999573 818974904 /nfs/dbraw/zinc/97/49/04/818974904.db2.gz WLRKGZQIBAKVOL-UHFFFAOYSA-N 1 1 296.414 3.195 20 10 CGCDMO Oc1c(C[N@H+]2CC[C@]23CCOC3)cccc1-c1ccccc1 ZINC001234999387 818974998 /nfs/dbraw/zinc/97/49/98/818974998.db2.gz VESWVAOLAOTEKG-LJQANCHMSA-N 1 1 295.382 3.424 20 10 CGCDMO CCc1cccc(C[N@H+](CC)Cc2ccccc2O)n1 ZINC001235265563 819057986 /nfs/dbraw/zinc/05/79/86/819057986.db2.gz WDBOZUUYHMWGIV-UHFFFAOYSA-N 1 1 270.376 3.372 20 10 CGCDMO COC[C@H]1CCC[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235673857 819135276 /nfs/dbraw/zinc/13/52/76/819135276.db2.gz AOBUOQYAABHFOX-OAHLLOKOSA-N 1 1 277.408 3.301 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CCCC[C@@](C)(O)C2)c(O)c1 ZINC001235676350 819137299 /nfs/dbraw/zinc/13/72/99/819137299.db2.gz QVUSFPVYVVIDAV-GOSISDBHSA-N 1 1 291.435 3.427 20 10 CGCDMO Cc1cc([O-])c(C[N@H+](C)CCC2CC[NH2+]CC2)cc1Cl ZINC001235717688 819151521 /nfs/dbraw/zinc/15/15/21/819151521.db2.gz YXKNAAJFQJEPQC-UHFFFAOYSA-N 1 1 296.842 3.176 20 10 CGCDMO Cc1cc([O-])c(C[N@@H+](C)CCC2CC[NH2+]CC2)cc1Cl ZINC001235717688 819151525 /nfs/dbraw/zinc/15/15/25/819151525.db2.gz YXKNAAJFQJEPQC-UHFFFAOYSA-N 1 1 296.842 3.176 20 10 CGCDMO CCC[C@@H]1CNCC[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001236133558 819336806 /nfs/dbraw/zinc/33/68/06/819336806.db2.gz ZJSTUFAXGIKCJA-MRXNPFEDSA-N 1 1 290.451 3.264 20 10 CGCDMO CCC[C@@H]1CNCC[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001236133558 819336811 /nfs/dbraw/zinc/33/68/11/819336811.db2.gz ZJSTUFAXGIKCJA-MRXNPFEDSA-N 1 1 290.451 3.264 20 10 CGCDMO CN(Cc1cc2ccccc2cc1O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217891 819384736 /nfs/dbraw/zinc/38/47/36/819384736.db2.gz QRKFVYDDCFTAMZ-IAGOWNOFSA-N 1 1 284.403 3.247 20 10 CGCDMO Cc1cc(C[N@H+]2CCc3ccc(N)cc3C2)ccc1N(C)C ZINC001236232482 819393816 /nfs/dbraw/zinc/39/38/16/819393816.db2.gz OEGCYCYEYSGYQZ-UHFFFAOYSA-N 1 1 295.430 3.202 20 10 CGCDMO COC[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(Cl)c1O ZINC001236801081 819599659 /nfs/dbraw/zinc/59/96/59/819599659.db2.gz FRMBZAVKLMJGTI-GFCCVEGCSA-N 1 1 299.798 3.055 20 10 CGCDMO COC[C@H]1CCCC[N@H+]1Cc1ccc(OC)c(Cl)c1O ZINC001236801081 819599662 /nfs/dbraw/zinc/59/96/62/819599662.db2.gz FRMBZAVKLMJGTI-GFCCVEGCSA-N 1 1 299.798 3.055 20 10 CGCDMO COc1ccc(C[N@@H+]2CCC[C@@H]2C)c(O)c1Cl ZINC001236800904 819600280 /nfs/dbraw/zinc/60/02/80/819600280.db2.gz APHJPDBDOZOVRH-VIFPVBQESA-N 1 1 255.745 3.039 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@@H]2C)c(O)c1Cl ZINC001236800904 819600285 /nfs/dbraw/zinc/60/02/85/819600285.db2.gz APHJPDBDOZOVRH-VIFPVBQESA-N 1 1 255.745 3.039 20 10 CGCDMO COc1cc(O)c(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)c(Cl)c1 ZINC001236805409 819601644 /nfs/dbraw/zinc/60/16/44/819601644.db2.gz FSINOCIGESBCTR-WDEREUQCSA-N 1 1 299.798 3.054 20 10 CGCDMO COc1ccc2c(c1)C[N@H+](Cc1c(C)cc(OC)cc1O)C2 ZINC001236812019 819603889 /nfs/dbraw/zinc/60/38/89/819603889.db2.gz XWIGGUCURNCSDC-UHFFFAOYSA-N 1 1 299.370 3.234 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCn3cccc3[C@@H]2C)c(O)c1 ZINC001236810798 819604717 /nfs/dbraw/zinc/60/47/17/819604717.db2.gz JIISHUVHRJZHIB-ZDUSSCGKSA-N 1 1 286.375 3.088 20 10 CGCDMO COc1ccc(C[N@@H+]2CCC(C)(C)C2)c(O)c1Cl ZINC001236810971 819605135 /nfs/dbraw/zinc/60/51/35/819605135.db2.gz CWAGBVJLIKHIJK-UHFFFAOYSA-N 1 1 269.772 3.286 20 10 CGCDMO COc1ccc(C[N@H+]2CCC(C)(C)C2)c(O)c1Cl ZINC001236810971 819605137 /nfs/dbraw/zinc/60/51/37/819605137.db2.gz CWAGBVJLIKHIJK-UHFFFAOYSA-N 1 1 269.772 3.286 20 10 CGCDMO COc1cc(C)c(C[N@@H+]2[C@H](C)CCC[C@@H]2C)c(O)c1 ZINC001236818633 819606882 /nfs/dbraw/zinc/60/68/82/819606882.db2.gz PUHXAIAJOCOKHM-BETUJISGSA-N 1 1 263.381 3.472 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@H+]1CCC[C@@H]1CF ZINC001236836227 819614948 /nfs/dbraw/zinc/61/49/48/819614948.db2.gz ZLZFLPCLTURJLK-OAHLLOKOSA-N 1 1 259.324 3.479 20 10 CGCDMO CC(C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236929600 819637944 /nfs/dbraw/zinc/63/79/44/819637944.db2.gz QTMWYSDMTVZDIF-UHFFFAOYSA-N 1 1 282.815 3.017 20 10 CGCDMO CC(C)c1ccc(C[N@@H+]2CCC(=O)[C@H](C)CC2)c(O)c1 ZINC001237044855 819651009 /nfs/dbraw/zinc/65/10/09/819651009.db2.gz FBGKOWCNQGZZSQ-CYBMUJFWSA-N 1 1 275.392 3.317 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CC(C)(C)C[C@]2(C)CO)c(O)c1 ZINC001237045834 819651111 /nfs/dbraw/zinc/65/11/11/819651111.db2.gz LJRDOQXSYILYCS-GOSISDBHSA-N 1 1 291.435 3.499 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H]3CN(C)C[C@@H]32)c(O)c1 ZINC001237050020 819651927 /nfs/dbraw/zinc/65/19/27/819651927.db2.gz VSBPOUDSAHHRKW-WBVHZDCISA-N 1 1 288.435 3.042 20 10 CGCDMO CC(C)c1ccc(CN2CCC[C@@H]3C[N@H+](C)C[C@@H]32)c(O)c1 ZINC001237050020 819651933 /nfs/dbraw/zinc/65/19/33/819651933.db2.gz VSBPOUDSAHHRKW-WBVHZDCISA-N 1 1 288.435 3.042 20 10 CGCDMO CC(C)c1ccc(CN2CCC[C@@H]3C[N@@H+](C)C[C@@H]32)c(O)c1 ZINC001237050020 819651938 /nfs/dbraw/zinc/65/19/38/819651938.db2.gz VSBPOUDSAHHRKW-WBVHZDCISA-N 1 1 288.435 3.042 20 10 CGCDMO CC[C@H]1COCC[N@H+]1Cc1ccc(C(C)C)cc1O ZINC001237049636 819652644 /nfs/dbraw/zinc/65/26/44/819652644.db2.gz QPWYSFCUXJYXNT-HNNXBMFYSA-N 1 1 263.381 3.126 20 10 CGCDMO COC[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237078576 819661817 /nfs/dbraw/zinc/66/18/17/819661817.db2.gz UVYVIQPGBMUJHW-SECBINFHSA-N 1 1 290.190 3.167 20 10 CGCDMO COC[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237078576 819661820 /nfs/dbraw/zinc/66/18/20/819661820.db2.gz UVYVIQPGBMUJHW-SECBINFHSA-N 1 1 290.190 3.167 20 10 CGCDMO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1c(O)ccc(Cl)c1Cl ZINC001237084824 819663710 /nfs/dbraw/zinc/66/37/10/819663710.db2.gz OAJHCQQAZIRYRA-RKDXNWHRSA-N 1 1 290.190 3.044 20 10 CGCDMO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1c(O)ccc(Cl)c1Cl ZINC001237084824 819663712 /nfs/dbraw/zinc/66/37/12/819663712.db2.gz OAJHCQQAZIRYRA-RKDXNWHRSA-N 1 1 290.190 3.044 20 10 CGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CCNC2=CCCC[C@H]21 ZINC001237220962 819701426 /nfs/dbraw/zinc/70/14/26/819701426.db2.gz UOBSARZXCJUEDT-LJQANCHMSA-N 1 1 297.446 3.128 20 10 CGCDMO c1cc(N2CCCC2)ccc1CN1CC[NH2+]C2=CCCC[C@H]21 ZINC001237220962 819701430 /nfs/dbraw/zinc/70/14/30/819701430.db2.gz UOBSARZXCJUEDT-LJQANCHMSA-N 1 1 297.446 3.128 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCCC[C@](C)(F)C1 ZINC001237485795 819762748 /nfs/dbraw/zinc/76/27/48/819762748.db2.gz SUQYWXUUBVJPAN-HNNXBMFYSA-N 1 1 251.345 3.415 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001237484973 819762769 /nfs/dbraw/zinc/76/27/69/819762769.db2.gz KSCPEYJGZNGFMA-YPMHNXCESA-N 1 1 267.319 3.178 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCOC[C@H]1C1CCCCC1 ZINC001237490813 819763971 /nfs/dbraw/zinc/76/39/71/819763971.db2.gz BNGXILFFRKMKBS-KRWDZBQOSA-N 1 1 289.419 3.482 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001237490659 819764808 /nfs/dbraw/zinc/76/48/08/819764808.db2.gz ZHWMTJDBCOUFIP-KRWDZBQOSA-N 1 1 297.398 3.492 20 10 CGCDMO COc1cc(C[N@@H+](C)Cc2cccs2)c(O)c(OC)c1 ZINC001237676480 819803774 /nfs/dbraw/zinc/80/37/74/819803774.db2.gz OLGQYYSDJGIPHY-UHFFFAOYSA-N 1 1 293.388 3.103 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@H](C)[C@H](C)C2)c(O)c(OC)c1 ZINC001237675643 819803840 /nfs/dbraw/zinc/80/38/40/819803840.db2.gz ZSQWAPFJPMGDIS-QWHCGFSZSA-N 1 1 293.407 3.277 20 10 CGCDMO COc1cc(C[N@@H+](CC2CC2)C(C)C)c(O)c(OC)c1 ZINC001237676243 819804475 /nfs/dbraw/zinc/80/44/75/819804475.db2.gz LVVLXTMHOGVMBD-UHFFFAOYSA-N 1 1 279.380 3.030 20 10 CGCDMO C[N@@H+](Cc1cc(F)c(Cl)cc1O)CC1CCC1 ZINC001237937719 819887589 /nfs/dbraw/zinc/88/75/89/819887589.db2.gz UGKBJXPNPRMSCF-UHFFFAOYSA-N 1 1 257.736 3.417 20 10 CGCDMO C[N@H+](Cc1cc(F)c(Cl)cc1O)CC1CCC1 ZINC001237937719 819887600 /nfs/dbraw/zinc/88/76/00/819887600.db2.gz UGKBJXPNPRMSCF-UHFFFAOYSA-N 1 1 257.736 3.417 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001237948314 819891003 /nfs/dbraw/zinc/89/10/03/819891003.db2.gz CKMAFFNPOMVFAZ-OAHLLOKOSA-N 1 1 299.773 3.187 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC001237948314 819891012 /nfs/dbraw/zinc/89/10/12/819891012.db2.gz CKMAFFNPOMVFAZ-OAHLLOKOSA-N 1 1 299.773 3.187 20 10 CGCDMO Cc1cc(F)cc(C[NH+]2Cc3ccccc3C2)c1O ZINC001238057771 819920519 /nfs/dbraw/zinc/92/05/19/819920519.db2.gz MRPGRIJYCZGBHM-UHFFFAOYSA-N 1 1 257.308 3.356 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c1O ZINC001238063336 819920802 /nfs/dbraw/zinc/92/08/02/819920802.db2.gz VSDXGLDTJOZAND-SNVBAGLBSA-N 1 1 277.261 3.224 20 10 CGCDMO Cc1cc(C[N@H+](C)Cc2ccccc2O)ncc1Cl ZINC001238423275 819992059 /nfs/dbraw/zinc/99/20/59/819992059.db2.gz QXHZRJRGPNXQHB-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO Cc1cc2c(cccc2-c2c[nH+]c(N)cc2C)n1C ZINC001242098275 822351303 /nfs/dbraw/zinc/35/13/03/822351303.db2.gz IXWSHCCLZSYBMQ-UHFFFAOYSA-N 1 1 251.333 3.439 20 10 CGCDMO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001341567845 936442544 /nfs/dbraw/zinc/44/25/44/936442544.db2.gz OOBHPZBSWLLBNE-YJBOKZPZSA-N 1 1 288.435 3.022 20 10 CGCDMO Nc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)cc1 ZINC001345159306 936804792 /nfs/dbraw/zinc/80/47/92/936804792.db2.gz FWQJRMPVQAMJMS-OALUTQOASA-N 1 1 296.414 3.357 20 10 CGCDMO COC1(C[NH2+]Cc2cc(F)cc(F)c2O)CCCCCC1 ZINC001560613243 937214905 /nfs/dbraw/zinc/21/49/05/937214905.db2.gz PVFLQAMMNJLAHO-UHFFFAOYSA-N 1 1 299.361 3.499 20 10 CGCDMO Cc1csc([C@H](C)C[NH2+]Cc2cc(F)c(F)cc2O)n1 ZINC001560738737 937236993 /nfs/dbraw/zinc/23/69/93/937236993.db2.gz UZPYRSAUPRBQJQ-MRVPVSSYSA-N 1 1 298.358 3.329 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@](C)(F)[C@H](F)C2)c1O ZINC001140178340 931956843 /nfs/dbraw/zinc/95/68/43/931956843.db2.gz ISKHDSQWGAPTPB-HIFRSBDPSA-N 1 1 269.335 3.281 20 10 CGCDMO Cc1c2ccccc2n(C)c1CN[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001461253848 937572366 /nfs/dbraw/zinc/57/23/66/937572366.db2.gz GTORQTCLJOHSLV-JKSUJKDBSA-N 1 1 299.462 3.449 20 10 CGCDMO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2cc(F)c(F)cc2O)C1(C)C ZINC001461880598 937603978 /nfs/dbraw/zinc/60/39/78/937603978.db2.gz KATBCSVIPPUXFD-HOCLYGCPSA-N 1 1 299.361 3.306 20 10 CGCDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2cc(F)c(F)cc2O)C1(C)C ZINC001461880598 937603980 /nfs/dbraw/zinc/60/39/80/937603980.db2.gz KATBCSVIPPUXFD-HOCLYGCPSA-N 1 1 299.361 3.306 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c(Cl)c1 ZINC001462176363 937622823 /nfs/dbraw/zinc/62/28/23/937622823.db2.gz IWXQUOJFURXOEF-BZNIZROVSA-N 1 1 295.810 3.353 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c(Cl)c1 ZINC001462176363 937622825 /nfs/dbraw/zinc/62/28/25/937622825.db2.gz IWXQUOJFURXOEF-BZNIZROVSA-N 1 1 295.810 3.353 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCc1cc(F)cc(F)c1 ZINC001308240150 933078547 /nfs/dbraw/zinc/07/85/47/933078547.db2.gz NUYODDJZKNGMJN-UHFFFAOYSA-N 1 1 299.267 3.281 20 10 CGCDMO Cc1ccc(C[N@@H+](CC(=O)OC(C)(C)C)C(C)C)c(O)c1 ZINC001308592740 933138431 /nfs/dbraw/zinc/13/84/31/933138431.db2.gz AGSUNRASQOTTLD-UHFFFAOYSA-N 1 1 293.407 3.253 20 10 CGCDMO Cc1ccc(C[N@H+](CC(=O)OC(C)(C)C)C(C)C)c(O)c1 ZINC001308592740 933138433 /nfs/dbraw/zinc/13/84/33/933138433.db2.gz AGSUNRASQOTTLD-UHFFFAOYSA-N 1 1 293.407 3.253 20 10 CGCDMO Oc1cc(Cl)ccc1C[NH2+]C12CCC(CC1)C2 ZINC001308685252 933157263 /nfs/dbraw/zinc/15/72/63/933157263.db2.gz MIECCHPJFPONEA-UHFFFAOYSA-N 1 1 251.757 3.468 20 10 CGCDMO C[N@@H+](CCC[C@@H]1CCO1)Cc1ccc(N2CCCC2)cc1 ZINC001308747713 933169536 /nfs/dbraw/zinc/16/95/36/933169536.db2.gz SBMSVPBGIYDZHB-GOSISDBHSA-N 1 1 288.435 3.288 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)[C@@H]2CCCC[C@H]2C)cc1OC ZINC001308755618 933171187 /nfs/dbraw/zinc/17/11/87/933171187.db2.gz UXCGMNLYNOZZBG-TZMCWYRMSA-N 1 1 293.407 3.420 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001319478862 933882358 /nfs/dbraw/zinc/88/23/58/933882358.db2.gz MUSOZDHKLLEXCW-UHFFFAOYSA-N 1 1 298.342 3.433 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001319478862 933882364 /nfs/dbraw/zinc/88/23/64/933882364.db2.gz MUSOZDHKLLEXCW-UHFFFAOYSA-N 1 1 298.342 3.433 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001324749757 934562430 /nfs/dbraw/zinc/56/24/30/934562430.db2.gz GARLDPDSWAZUMC-UHFFFAOYSA-N 1 1 284.315 3.125 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001324749757 934562438 /nfs/dbraw/zinc/56/24/38/934562438.db2.gz GARLDPDSWAZUMC-UHFFFAOYSA-N 1 1 284.315 3.125 20 10 CGCDMO CCc1nc(C[NH2+]Cc2ccc(N3CCCC3)cc2)co1 ZINC001326451352 934981235 /nfs/dbraw/zinc/98/12/35/934981235.db2.gz KXXLGHQUQYTSTA-UHFFFAOYSA-N 1 1 285.391 3.127 20 10 CGCDMO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCCC[C@H]1N ZINC001326584727 934991832 /nfs/dbraw/zinc/99/18/32/934991832.db2.gz XVFSMAXTTUCUNY-SYQHCUMBSA-N 1 1 274.408 3.108 20 10 CGCDMO C[C@H]1C[N@H+](Cc2ccc(N)cc2)C[C@H](c2ccsc2)O1 ZINC001337837577 936293692 /nfs/dbraw/zinc/29/36/92/936293692.db2.gz CSSWODQYULUJKH-BLLLJJGKSA-N 1 1 288.416 3.292 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(N)cc2)C[C@H](c2ccsc2)O1 ZINC001337837577 936293693 /nfs/dbraw/zinc/29/36/93/936293693.db2.gz CSSWODQYULUJKH-BLLLJJGKSA-N 1 1 288.416 3.292 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1Cl ZINC001474390561 937857094 /nfs/dbraw/zinc/85/70/94/937857094.db2.gz HLGNVYQBIGVNBK-WFASDCNBSA-N 1 1 297.826 3.337 20 10 CGCDMO CCCc1nc(C)c(C[NH2+]Cc2cc(F)c(F)cc2O)o1 ZINC001474557966 937866578 /nfs/dbraw/zinc/86/65/78/937866578.db2.gz OKMCVFIAXDVFRD-UHFFFAOYSA-N 1 1 296.317 3.209 20 10 CGCDMO Cn1c[nH+]c2cc(NCc3cccc([N+](=O)[O-])c3)ccc21 ZINC001560379251 938256045 /nfs/dbraw/zinc/25/60/45/938256045.db2.gz UVMCZVWWVTYBFJ-UHFFFAOYSA-N 1 1 282.303 3.094 20 10 CGCDMO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1c(O)cc(C)cc1Cl ZINC001560726955 938272561 /nfs/dbraw/zinc/27/25/61/938272561.db2.gz LPEKQDFNNBOCLO-NWDGAFQWSA-N 1 1 283.799 3.353 20 10 CGCDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1c(O)cc(C)cc1Cl ZINC001560726955 938272562 /nfs/dbraw/zinc/27/25/62/938272562.db2.gz LPEKQDFNNBOCLO-NWDGAFQWSA-N 1 1 283.799 3.353 20 10 CGCDMO CC[C@@]1(C)C[N@H+](Cc2cc(Cl)c(C)cc2O)CCO1 ZINC001560761564 938274651 /nfs/dbraw/zinc/27/46/51/938274651.db2.gz JTZBMKSRASGUCO-HNNXBMFYSA-N 1 1 283.799 3.355 20 10 CGCDMO CC[C@@]1(C)C[N@@H+](Cc2cc(Cl)c(C)cc2O)CCO1 ZINC001560761564 938274652 /nfs/dbraw/zinc/27/46/52/938274652.db2.gz JTZBMKSRASGUCO-HNNXBMFYSA-N 1 1 283.799 3.355 20 10 CGCDMO Cc1nc2sccn2c1C[N@H+](C)Cc1ccccc1O ZINC000091956660 345826624 /nfs/dbraw/zinc/82/66/24/345826624.db2.gz MRNHNVKRIOTWOW-UHFFFAOYSA-N 1 1 287.388 3.042 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2cc(Cl)cn2C)c1O ZINC000091931125 370081888 /nfs/dbraw/zinc/08/18/88/370081888.db2.gz AEIJQIKJXFTDQE-UHFFFAOYSA-N 1 1 294.782 3.025 20 10 CGCDMO CC[N@@H+](Cc1cc(-c2ccccc2)ccc1O)[C@@H](C)CO ZINC000293665849 372442581 /nfs/dbraw/zinc/44/25/81/372442581.db2.gz OHEYGTGIXWPNAN-AWEZNQCLSA-N 1 1 285.387 3.262 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCC[C@@H]1CF ZINC000293920187 372525068 /nfs/dbraw/zinc/52/50/68/372525068.db2.gz GPPRIGMQVCGOFX-CYBMUJFWSA-N 1 1 259.324 3.479 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@H](O)CC(C)(C)C2)c1O ZINC000295167885 372696984 /nfs/dbraw/zinc/69/69/84/372696984.db2.gz FQSPUNTXVHLDCA-AWEZNQCLSA-N 1 1 297.826 3.337 20 10 CGCDMO Cc1cnccc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000294593743 372662465 /nfs/dbraw/zinc/66/24/65/372662465.db2.gz SKHBVKLLAHRYEY-UHFFFAOYSA-N 1 1 269.392 3.088 20 10 CGCDMO Cc1cc(C[N@@H+](C)Cc2ccccn2)ccc1N(C)C ZINC000295134590 372693946 /nfs/dbraw/zinc/69/39/46/372693946.db2.gz KGFCDXHRBCGEKV-UHFFFAOYSA-N 1 1 269.392 3.088 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000179950829 373944794 /nfs/dbraw/zinc/94/47/94/373944794.db2.gz TYAHOJGDLONGTF-NSHDSACASA-N 1 1 259.271 3.167 20 10 CGCDMO Cc1cccc(C[N@H+]2CCn3cccc3[C@@H]2C)c1O ZINC000183511969 374422402 /nfs/dbraw/zinc/42/24/02/374422402.db2.gz SUJDXBQEKGIQIK-ZDUSSCGKSA-N 1 1 256.349 3.079 20 10 CGCDMO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(CC(C)C)CC2)c1 ZINC000184972674 374573407 /nfs/dbraw/zinc/57/34/07/374573407.db2.gz VFTWDNWGQQLWHR-OAHLLOKOSA-N 1 1 290.451 3.472 20 10 CGCDMO Cc1cccc(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)c1O ZINC000271723833 378502891 /nfs/dbraw/zinc/50/28/91/378502891.db2.gz KVBULLVALKGQST-SFHVURJKSA-N 1 1 297.398 3.446 20 10 CGCDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000272477515 378646604 /nfs/dbraw/zinc/64/66/04/378646604.db2.gz BNMMFUOCVGFBRF-RHSMWYFYSA-N 1 1 297.398 3.262 20 10 CGCDMO COc1cccc(C[N@H+]2Cc3ccccc3OC[C@@H]2C)c1O ZINC000272812901 378708427 /nfs/dbraw/zinc/70/84/27/378708427.db2.gz AZZKHOCMRJTOOR-ZDUSSCGKSA-N 1 1 299.370 3.184 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC=C(Br)C2)c1O ZINC000282345314 379902472 /nfs/dbraw/zinc/90/24/72/379902472.db2.gz OZYNAOURMLFGPT-UHFFFAOYSA-N 1 1 282.181 3.185 20 10 CGCDMO CCCC[N@@H+](Cc1ccno1)Cc1ccccc1O ZINC000282368445 379905607 /nfs/dbraw/zinc/90/56/07/379905607.db2.gz DYKUDNJTOHKWSY-UHFFFAOYSA-N 1 1 260.337 3.183 20 10 CGCDMO CC[C@@H]([NH2+]Cc1ccn(C)c1)c1ccc(F)cc1O ZINC000286176427 380170754 /nfs/dbraw/zinc/17/07/54/380170754.db2.gz QPIOTUFAXTZVKS-CQSZACIVSA-N 1 1 262.328 3.111 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)c1cnn(C)c1C)c1ccc(F)cc1O ZINC000285769225 380152558 /nfs/dbraw/zinc/15/25/58/380152558.db2.gz SRKXXKYNVXOQPU-ZUZCIYMTSA-N 1 1 291.370 3.375 20 10 CGCDMO CCCO[C@H]1CCC[N@@H+](Cc2cccc(OC)c2O)CC1 ZINC000093317410 392237792 /nfs/dbraw/zinc/23/77/92/392237792.db2.gz UJNNKYCRPJHEIA-HNNXBMFYSA-N 1 1 293.407 3.182 20 10 CGCDMO CCOC[C@@H]1CCC[N@@H+](Cc2cccc(OCC)c2O)C1 ZINC000093419137 392237837 /nfs/dbraw/zinc/23/78/37/392237837.db2.gz AUMGDHXKBXQFKG-CQSZACIVSA-N 1 1 293.407 3.039 20 10 CGCDMO COCC[C@@H]1CCCC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000368668814 392494518 /nfs/dbraw/zinc/49/45/18/392494518.db2.gz ZMQCNYLVIREYMX-AWEZNQCLSA-N 1 1 293.407 3.039 20 10 CGCDMO Cc1ncsc1C[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000172495573 392619948 /nfs/dbraw/zinc/61/99/48/392619948.db2.gz GRCRLXYRXOYCJP-UHFFFAOYSA-N 1 1 276.405 3.406 20 10 CGCDMO Oc1ccccc1C[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000179568652 392703712 /nfs/dbraw/zinc/70/37/12/392703712.db2.gz BLGQEIOCQQWUBM-QGZVFWFLSA-N 1 1 287.334 3.105 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000179568652 392703715 /nfs/dbraw/zinc/70/37/15/392703715.db2.gz BLGQEIOCQQWUBM-QGZVFWFLSA-N 1 1 287.334 3.105 20 10 CGCDMO Oc1ccccc1C[N@@H+](Cc1cc[nH]n1)C1CCCCC1 ZINC000156785357 261132144 /nfs/dbraw/zinc/13/21/44/261132144.db2.gz SQBFBPDJXHWDQQ-UHFFFAOYSA-N 1 1 285.391 3.450 20 10 CGCDMO C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(F)cc1O ZINC000185528940 262058934 /nfs/dbraw/zinc/05/89/34/262058934.db2.gz IMLNITYOIRYPQF-MEBBXXQBSA-N 1 1 295.379 3.151 20 10 CGCDMO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)n[nH]1 ZINC000186131332 262081261 /nfs/dbraw/zinc/08/12/61/262081261.db2.gz MWYSUFZOIISSQF-AAEUAGOBSA-N 1 1 273.380 3.014 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@H](N3CCCC3)[C@@H]2C)cc1C ZINC000288135282 263103597 /nfs/dbraw/zinc/10/35/97/263103597.db2.gz ABQFQFFCYGATTE-RDJZCZTQSA-N 1 1 288.435 3.068 20 10 CGCDMO Cc1cc(O)c(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1C ZINC000288135282 263103598 /nfs/dbraw/zinc/10/35/98/263103598.db2.gz ABQFQFFCYGATTE-RDJZCZTQSA-N 1 1 288.435 3.068 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1O ZINC000367740017 267114371 /nfs/dbraw/zinc/11/43/71/267114371.db2.gz IXSLTCAQVZOLRK-CHWSQXEVSA-N 1 1 295.810 3.212 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCc3ccsc3C2)c1O ZINC000127061368 276380079 /nfs/dbraw/zinc/38/00/79/276380079.db2.gz DKBPHRWFBNWPMW-UHFFFAOYSA-N 1 1 289.400 3.411 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1ccc(F)cc1O ZINC000528001685 330300140 /nfs/dbraw/zinc/30/01/40/330300140.db2.gz MQMJRSFNTDELAS-WFASDCNBSA-N 1 1 292.398 3.199 20 10 CGCDMO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000251705651 334367720 /nfs/dbraw/zinc/36/77/20/334367720.db2.gz PBWIGZJHVHVKLH-ZVZYQTTQSA-N 1 1 287.451 3.030 20 10 CGCDMO C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000251705651 334367721 /nfs/dbraw/zinc/36/77/21/334367721.db2.gz PBWIGZJHVHVKLH-ZVZYQTTQSA-N 1 1 287.451 3.030 20 10 CGCDMO CCC[N@H+](CC)C[C@@H](C)N[C@@H](C)c1ccccc1O ZINC000290299922 521611240 /nfs/dbraw/zinc/61/12/40/521611240.db2.gz YRKOTEMBSKPCNS-KGLIPLIRSA-N 1 1 264.413 3.163 20 10 CGCDMO CCC[N@@H+](CC)C[C@@H](C)N[C@@H](C)c1ccccc1O ZINC000290299922 521611243 /nfs/dbraw/zinc/61/12/43/521611243.db2.gz YRKOTEMBSKPCNS-KGLIPLIRSA-N 1 1 264.413 3.163 20 10 CGCDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000280329143 521751153 /nfs/dbraw/zinc/75/11/53/521751153.db2.gz RAIAVGLLPGGZRN-QGZVFWFLSA-N 1 1 294.414 3.283 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](Cc2ccc(F)cn2)C2CC2)cc1 ZINC000276130560 522172553 /nfs/dbraw/zinc/17/25/53/522172553.db2.gz AWKMVAJEXPMFQC-UHFFFAOYSA-N 1 1 299.393 3.451 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@]2(C)CCCO)cc1F ZINC000290323600 522176996 /nfs/dbraw/zinc/17/69/96/522176996.db2.gz DEWQWFWADDUPFO-KRWDZBQOSA-N 1 1 294.414 3.019 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000292045333 522179931 /nfs/dbraw/zinc/17/99/31/522179931.db2.gz AXSBVHWYDRKEHY-KRWDZBQOSA-N 1 1 288.435 3.001 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@@H]1OCCc2ccccc21 ZINC000265204955 523384173 /nfs/dbraw/zinc/38/41/73/523384173.db2.gz KHVXQRSCIGPDPL-SFHVURJKSA-N 1 1 283.371 3.138 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000076266303 523599255 /nfs/dbraw/zinc/59/92/55/523599255.db2.gz FUQIBRCSAOZQKK-CQSZACIVSA-N 1 1 271.360 3.156 20 10 CGCDMO Cc1cc(C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)n[nH]1 ZINC000278855852 524606512 /nfs/dbraw/zinc/60/65/12/524606512.db2.gz MOYYTKKHNQVQDH-UHFFFAOYSA-N 1 1 298.434 3.164 20 10 CGCDMO C[C@H]([NH2+]C[C@H](C)N(C)C)c1cc(Cl)c(Cl)cc1O ZINC000278890107 525403835 /nfs/dbraw/zinc/40/38/35/525403835.db2.gz YNUAZTZYCJHXFL-IUCAKERBSA-N 1 1 291.222 3.300 20 10 CGCDMO C[C@@H]1CCC[C@H](C)[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000742155988 572556894 /nfs/dbraw/zinc/55/68/94/572556894.db2.gz VBXBTDUUDKSOQT-NEPJUHHUSA-N 1 1 277.364 3.131 20 10 CGCDMO CN(C)c1ccc(C[N@H+](C)Cc2ccncc2Cl)cc1 ZINC000743840081 572687254 /nfs/dbraw/zinc/68/72/54/572687254.db2.gz UGFQFEJUEXRGHW-UHFFFAOYSA-N 1 1 289.810 3.433 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccncc2Cl)cc1 ZINC000743840081 572687257 /nfs/dbraw/zinc/68/72/57/572687257.db2.gz UGFQFEJUEXRGHW-UHFFFAOYSA-N 1 1 289.810 3.433 20 10 CGCDMO Cc1cccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)n1 ZINC000736945304 572826831 /nfs/dbraw/zinc/82/68/31/572826831.db2.gz OTVISFPTQMQJAU-UHFFFAOYSA-N 1 1 269.392 3.088 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1C ZINC000747831411 572950617 /nfs/dbraw/zinc/95/06/17/572950617.db2.gz MJXJZVIIQHWSHQ-HZPDHXFCSA-N 1 1 289.419 3.258 20 10 CGCDMO CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H](C)OC ZINC000812807773 617858853 /nfs/dbraw/zinc/85/88/53/617858853.db2.gz WPHHAZGMSLSUSF-VIFPVBQESA-N 1 1 275.751 3.042 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@@H]2CSC)c(O)cc1C ZINC000160449969 618046546 /nfs/dbraw/zinc/04/65/46/618046546.db2.gz QLIQQBRBYZDYBF-CYBMUJFWSA-N 1 1 281.421 3.037 20 10 CGCDMO C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1O ZINC000248493087 618167393 /nfs/dbraw/zinc/16/73/93/618167393.db2.gz JUVNBZYJSDYGFY-NOHGZBONSA-N 1 1 267.344 3.138 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c1O ZINC000314262711 618963608 /nfs/dbraw/zinc/96/36/08/618963608.db2.gz HTVKRYYHQNKDDD-BETUJISGSA-N 1 1 291.366 3.356 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1O ZINC000314262711 618963610 /nfs/dbraw/zinc/96/36/10/618963610.db2.gz HTVKRYYHQNKDDD-BETUJISGSA-N 1 1 291.366 3.356 20 10 CGCDMO COCC[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1O ZINC000179882839 619010787 /nfs/dbraw/zinc/01/07/87/619010787.db2.gz MOJLUMBDTLEQSD-UHFFFAOYSA-N 1 1 289.350 3.180 20 10 CGCDMO C[C@@H]1SCC[N@@H+](Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000093499398 619201325 /nfs/dbraw/zinc/20/13/25/619201325.db2.gz UQOFWMXBGVGONE-STQMWFEESA-N 1 1 264.438 3.078 20 10 CGCDMO Cc1c(C[N@H+](C)Cc2c(O)cc(C)cc2Cl)cnn1C ZINC000840940603 619232674 /nfs/dbraw/zinc/23/26/74/619232674.db2.gz HTRCTDDGUBLDLG-UHFFFAOYSA-N 1 1 293.798 3.028 20 10 CGCDMO Cc1c(C[N@@H+](C)Cc2c(O)cc(C)cc2Cl)cnn1C ZINC000840940603 619232676 /nfs/dbraw/zinc/23/26/76/619232676.db2.gz HTRCTDDGUBLDLG-UHFFFAOYSA-N 1 1 293.798 3.028 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCSC2(CCC2)CC1 ZINC000840954917 619260986 /nfs/dbraw/zinc/26/09/86/619260986.db2.gz PYJOEZRMZGNGMQ-UHFFFAOYSA-N 1 1 263.406 3.254 20 10 CGCDMO C[C@@H]1C[C@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)[C@@H](C)O1 ZINC000840964940 619285092 /nfs/dbraw/zinc/28/50/92/619285092.db2.gz YRRPDONLFIWESK-OPRDCNLKSA-N 1 1 287.762 3.088 20 10 CGCDMO C[C@@H]1C[C@@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)[C@@H](C)O1 ZINC000840964938 619285187 /nfs/dbraw/zinc/28/51/87/619285187.db2.gz YRRPDONLFIWESK-BBBLOLIVSA-N 1 1 287.762 3.088 20 10 CGCDMO C[NH+](C)C1(CNCc2c(O)cccc2Cl)CCCC1 ZINC000096543743 619295761 /nfs/dbraw/zinc/29/57/61/619295761.db2.gz MJOXXNMMURSHON-UHFFFAOYSA-N 1 1 282.815 3.010 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)[C@H]1CCCO1 ZINC000186181852 625734468 /nfs/dbraw/zinc/73/44/68/625734468.db2.gz RNENWFHOEHYREA-VZJVUDMVSA-N 1 1 267.344 3.140 20 10 CGCDMO COc1ccc(N(C)Cc2c(C)cc[nH+]c2N)cc1Cl ZINC000894429264 619532472 /nfs/dbraw/zinc/53/24/72/619532472.db2.gz BBXKKZZZABYYHW-UHFFFAOYSA-N 1 1 291.782 3.271 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)CCC(C)C)c1O ZINC000048923466 619660490 /nfs/dbraw/zinc/66/04/90/619660490.db2.gz JXRDZJBSKTULDZ-UHFFFAOYSA-N 1 1 267.344 3.212 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)CCC(C)C)c1O ZINC000048923466 619660492 /nfs/dbraw/zinc/66/04/92/619660492.db2.gz JXRDZJBSKTULDZ-UHFFFAOYSA-N 1 1 267.344 3.212 20 10 CGCDMO CCC1([NH+]2CCC2)CCN(Cc2ccc(C)cc2O)CC1 ZINC000895822937 619891056 /nfs/dbraw/zinc/89/10/56/619891056.db2.gz RMUJHSWRBRAOIN-UHFFFAOYSA-N 1 1 288.435 3.151 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@H](c3ccn(C)n3)C2)c1O ZINC000896488925 620013267 /nfs/dbraw/zinc/01/32/67/620013267.db2.gz RNOSALNLHXELJV-HNNXBMFYSA-N 1 1 299.418 3.068 20 10 CGCDMO C[C@H]([NH2+]Cc1c(O)cccc1F)C1CC(F)(F)C1 ZINC000896644932 620040258 /nfs/dbraw/zinc/04/02/58/620040258.db2.gz ZNFCYMHYLBPRCX-QMMMGPOBSA-N 1 1 259.271 3.055 20 10 CGCDMO CC[C@H]([NH2+]CC(CC)(CC)CO)c1ccc(F)cc1O ZINC000796849879 620160560 /nfs/dbraw/zinc/16/05/60/620160560.db2.gz XMJNLPNWLOADGO-AWEZNQCLSA-N 1 1 283.387 3.371 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000898512161 620594173 /nfs/dbraw/zinc/59/41/73/620594173.db2.gz IINYIGTWHHMGBR-HOTGVXAUSA-N 1 1 289.419 3.339 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@@H](C)C(C)C)c1 ZINC000768267484 625532831 /nfs/dbraw/zinc/53/28/31/625532831.db2.gz ABIBQLHSOUNXQW-LBPRGKRZSA-N 1 1 251.370 3.267 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1C1CCCC1)OCO2 ZINC000055034950 622809145 /nfs/dbraw/zinc/80/91/45/622809145.db2.gz JGDCVPZDWNFXOW-AWEZNQCLSA-N 1 1 289.375 3.276 20 10 CGCDMO C[C@H]1OCC[N@@H+](Cc2c(O)ccc3ccccc32)[C@@H]1C ZINC000164099629 622816701 /nfs/dbraw/zinc/81/67/01/622816701.db2.gz NTPZZYPGMBXWRL-CHWSQXEVSA-N 1 1 271.360 3.155 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCCCS1)c1ccc(F)cc1O ZINC000157987418 622989774 /nfs/dbraw/zinc/98/97/74/622989774.db2.gz QUMPBTJRGPITEU-ZYHUDNBSSA-N 1 1 269.385 3.468 20 10 CGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000230299717 623233490 /nfs/dbraw/zinc/23/34/90/623233490.db2.gz BKIVTVZYOOHBMB-AWEZNQCLSA-N 1 1 269.772 3.047 20 10 CGCDMO Cc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)n1 ZINC000062748431 623268752 /nfs/dbraw/zinc/26/87/52/623268752.db2.gz PBNNUDWUYDSLFC-NSHDSACASA-N 1 1 260.312 3.086 20 10 CGCDMO CCN(CC)[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000173460830 623325126 /nfs/dbraw/zinc/32/51/26/623325126.db2.gz YNIBBFIFCQYOBW-INIZCTEOSA-N 1 1 298.430 3.462 20 10 CGCDMO CC[NH+](CC)[C@H]1CCN(Cc2c(O)ccc3ccccc32)C1 ZINC000173460830 623325128 /nfs/dbraw/zinc/32/51/28/623325128.db2.gz YNIBBFIFCQYOBW-INIZCTEOSA-N 1 1 298.430 3.462 20 10 CGCDMO CC[C@@H]1COCC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000151910933 623584103 /nfs/dbraw/zinc/58/41/03/623584103.db2.gz ORKNQOKPWRKYGD-CQSZACIVSA-N 1 1 293.407 3.006 20 10 CGCDMO CC[C@@H]1COCC[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000151910933 623584107 /nfs/dbraw/zinc/58/41/07/623584107.db2.gz ORKNQOKPWRKYGD-CQSZACIVSA-N 1 1 293.407 3.006 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCCC3(CCOCC3)C2)c1 ZINC000754742154 623941722 /nfs/dbraw/zinc/94/17/22/623941722.db2.gz QTIPCBTYEIKQRP-UHFFFAOYSA-N 1 1 289.419 3.402 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)Cc2ccccc21 ZINC000915839742 624040859 /nfs/dbraw/zinc/04/08/59/624040859.db2.gz MOZPGDOJNBGCDM-GFCCVEGCSA-N 1 1 297.354 3.240 20 10 CGCDMO Cc1ccoc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000155185207 624447474 /nfs/dbraw/zinc/44/74/74/624447474.db2.gz LVDGTCVWDZZRLN-UHFFFAOYSA-N 1 1 258.365 3.286 20 10 CGCDMO CC(C)[C@H](C)[N@@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000179496638 624659423 /nfs/dbraw/zinc/65/94/23/624659423.db2.gz HOSHUBJHAOJBMF-NSHDSACASA-N 1 1 277.364 3.130 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)C[C@H]1COc2ccccc2O1 ZINC000179558029 624666479 /nfs/dbraw/zinc/66/64/79/624666479.db2.gz WGIRYJXNIRONNU-HNNXBMFYSA-N 1 1 299.370 3.054 20 10 CGCDMO COc1cccc(C[NH2+]Cc2csc(C3CC3)n2)c1O ZINC000069876643 624914771 /nfs/dbraw/zinc/91/47/71/624914771.db2.gz KWLQTQKEUMNTAX-UHFFFAOYSA-N 1 1 290.388 3.025 20 10 CGCDMO Cc1cccc(C[N@@H+](C)CCOc2ccccc2)c1O ZINC000183372443 625067334 /nfs/dbraw/zinc/06/73/34/625067334.db2.gz WTCAAFUHWBZQAJ-UHFFFAOYSA-N 1 1 271.360 3.211 20 10 CGCDMO CC1(CC(F)(F)F)C[NH+](Cc2cc(F)ccc2O)C1 ZINC000839144051 626323562 /nfs/dbraw/zinc/32/35/62/626323562.db2.gz FNTNSLPRBDRWGT-UHFFFAOYSA-N 1 1 277.261 3.306 20 10 CGCDMO COC[C@@H]1CCC[N@H+]1Cc1cc(C(C)C)c(C)cc1O ZINC000751950064 626412541 /nfs/dbraw/zinc/41/25/41/626412541.db2.gz OFBLSJRKKCZQFH-HNNXBMFYSA-N 1 1 277.408 3.435 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](C)CC(C)(C)C2)c1 ZINC000753576286 626456270 /nfs/dbraw/zinc/45/62/70/626456270.db2.gz QOZQHLNQOBARRW-LBPRGKRZSA-N 1 1 263.381 3.269 20 10 CGCDMO CC[NH+](CC)CCCN[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756339594 626693487 /nfs/dbraw/zinc/69/34/87/626693487.db2.gz CTIIICDFXBJKFQ-GXTWGEPZSA-N 1 1 294.414 3.401 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2CCCC2)c1 ZINC000756455724 626707201 /nfs/dbraw/zinc/70/72/01/626707201.db2.gz AYLYWLLHAVMMOK-NSHDSACASA-N 1 1 277.364 3.020 20 10 CGCDMO Cc1noc(C)c1C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756460542 626707241 /nfs/dbraw/zinc/70/72/41/626707241.db2.gz QHXHRONOHBJWCZ-ZETCQYMHSA-N 1 1 282.290 3.126 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000756476385 626708290 /nfs/dbraw/zinc/70/82/90/626708290.db2.gz UEPVSQXZTNXGAL-CHWSQXEVSA-N 1 1 289.375 3.186 20 10 CGCDMO CC[C@H](C)[N@H+](C)CCN[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756529286 626712505 /nfs/dbraw/zinc/71/25/05/626712505.db2.gz RPHOHFIYZZREQD-DYEKYZERSA-N 1 1 294.414 3.400 20 10 CGCDMO CC[C@H](C)[N@@H+](C)CCN[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756529286 626712506 /nfs/dbraw/zinc/71/25/06/626712506.db2.gz RPHOHFIYZZREQD-DYEKYZERSA-N 1 1 294.414 3.400 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CC[C@H](C)CC2)c1 ZINC000756706363 626727273 /nfs/dbraw/zinc/72/72/73/626727273.db2.gz MNCGUBUYSSNDGJ-YRGRVCCFSA-N 1 1 291.391 3.408 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC23CCCC3)c1 ZINC000760040386 626937298 /nfs/dbraw/zinc/93/72/98/626937298.db2.gz JWIWISKFOIYEGQ-IAQYHMDHSA-N 1 1 289.375 3.162 20 10 CGCDMO CCN(CCC[NH+]1CCCC1)Cc1ccc(N(C)C)cc1 ZINC000760806572 626993336 /nfs/dbraw/zinc/99/33/36/626993336.db2.gz AFNFYGQLBZZTGW-UHFFFAOYSA-N 1 1 289.467 3.060 20 10 CGCDMO CC[N@H+](CCCN1CCCC1)Cc1ccc(N(C)C)cc1 ZINC000760806572 626993338 /nfs/dbraw/zinc/99/33/38/626993338.db2.gz AFNFYGQLBZZTGW-UHFFFAOYSA-N 1 1 289.467 3.060 20 10 CGCDMO CC[N@@H+](CCCN1CCCC1)Cc1ccc(N(C)C)cc1 ZINC000760806572 626993342 /nfs/dbraw/zinc/99/33/42/626993342.db2.gz AFNFYGQLBZZTGW-UHFFFAOYSA-N 1 1 289.467 3.060 20 10 CGCDMO C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)CC1(O)CCC1 ZINC000761220101 627026384 /nfs/dbraw/zinc/02/63/84/627026384.db2.gz UKVXLXVHXMEUSU-UHFFFAOYSA-N 1 1 297.398 3.406 20 10 CGCDMO CCN(C)c1ccc([C@H](C)NCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000766379988 627325487 /nfs/dbraw/zinc/32/54/87/627325487.db2.gz BCKZWDSLTQUSTO-HOTGVXAUSA-N 1 1 289.467 3.135 20 10 CGCDMO CCN(C)c1ccc([C@H](C)NCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000766379988 627325491 /nfs/dbraw/zinc/32/54/91/627325491.db2.gz BCKZWDSLTQUSTO-HOTGVXAUSA-N 1 1 289.467 3.135 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)Cc1cccs1 ZINC000768160837 627463559 /nfs/dbraw/zinc/46/35/59/627463559.db2.gz STIRECMCNYYDOU-UHFFFAOYSA-N 1 1 263.362 3.094 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000768262374 627471954 /nfs/dbraw/zinc/47/19/54/627471954.db2.gz JJYDEGSLHNRGSB-CHWSQXEVSA-N 1 1 263.381 3.411 20 10 CGCDMO CC(C)[N@H+](Cc1ccc(N2CCOCC2)cc1)CC1CC1 ZINC000768675768 627492367 /nfs/dbraw/zinc/49/23/67/627492367.db2.gz UZYXGPFQZNIOLL-UHFFFAOYSA-N 1 1 288.435 3.144 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCOCC2(C)C)cc1 ZINC000769007977 627516186 /nfs/dbraw/zinc/51/61/86/627516186.db2.gz XKKFIDMCXVYDLE-UHFFFAOYSA-N 1 1 276.424 3.144 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000769104624 627522640 /nfs/dbraw/zinc/52/26/40/627522640.db2.gz JNWUCJNGTRZUIZ-INIZCTEOSA-N 1 1 299.370 3.444 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC[C@@H](c3ccco3)C2)c(O)c1 ZINC000769390142 627547728 /nfs/dbraw/zinc/54/77/28/627547728.db2.gz QQOWEZGYXQBDLN-CQSZACIVSA-N 1 1 287.359 3.373 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+](C)Cc2cn[nH]c2)cc1F ZINC000769424045 627551085 /nfs/dbraw/zinc/55/10/85/627551085.db2.gz JPYAGXQRIQGTRQ-UHFFFAOYSA-N 1 1 290.386 3.027 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cn[nH]c2)cc1F ZINC000769424045 627551086 /nfs/dbraw/zinc/55/10/86/627551086.db2.gz JPYAGXQRIQGTRQ-UHFFFAOYSA-N 1 1 290.386 3.027 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)c(O)c1 ZINC000769445574 627552727 /nfs/dbraw/zinc/55/27/27/627552727.db2.gz GUFZBRUUUHZWOD-RYUDHWBXSA-N 1 1 281.421 3.117 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c(O)c1 ZINC000769451575 627554466 /nfs/dbraw/zinc/55/44/66/627554466.db2.gz NFEFUAPHRYPKCV-OLZOCXBDSA-N 1 1 263.381 3.269 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)[C@H](C)CCSC)c(O)c1 ZINC000769462716 627555631 /nfs/dbraw/zinc/55/56/31/627555631.db2.gz HYPJNLMZTISLFU-GFCCVEGCSA-N 1 1 283.437 3.364 20 10 CGCDMO CC[C@H](C)C[N@@H+](CC)Cc1c(O)cccc1OC ZINC000769538137 627563791 /nfs/dbraw/zinc/56/37/91/627563791.db2.gz SIVWKGGWPLEHTN-LBPRGKRZSA-N 1 1 251.370 3.269 20 10 CGCDMO C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1cc(F)cc(F)c1O ZINC000769990664 627596057 /nfs/dbraw/zinc/59/60/57/627596057.db2.gz VVJYNLWLVMLXEA-OQPBUACISA-N 1 1 299.342 3.116 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000770286599 627611962 /nfs/dbraw/zinc/61/19/62/627611962.db2.gz RYLUMLXHVXBCBB-BXUZGUMPSA-N 1 1 281.783 3.047 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCCOC(C)(C)C2)cc1 ZINC000773753666 627911430 /nfs/dbraw/zinc/91/14/30/627911430.db2.gz MOVAECFJWKYAAS-UHFFFAOYSA-N 1 1 276.424 3.144 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](OCC(C)C)C2)cc1 ZINC000773766738 627914127 /nfs/dbraw/zinc/91/41/27/627914127.db2.gz VBQHIWDZWPHEFH-SFHVURJKSA-N 1 1 290.451 3.390 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)Cc2cccnc2)cc1 ZINC000773801630 627916684 /nfs/dbraw/zinc/91/66/84/627916684.db2.gz NKWZQHOZSRMOAS-UHFFFAOYSA-N 1 1 269.392 3.170 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](C(F)F)C2)cc1 ZINC000773827147 627916813 /nfs/dbraw/zinc/91/68/13/627916813.db2.gz VXBQGDHWAZFAHX-CYBMUJFWSA-N 1 1 268.351 3.230 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](C)[C@H](F)C2)cc1 ZINC000773831896 627917828 /nfs/dbraw/zinc/91/78/28/627917828.db2.gz JYWKYTRGKRKJME-XJKSGUPXSA-N 1 1 264.388 3.323 20 10 CGCDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000775175613 628069110 /nfs/dbraw/zinc/06/91/10/628069110.db2.gz JSJKGCVHJSPJGZ-KRWDZBQOSA-N 1 1 294.414 3.019 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]2C(C)(C)C)c1 ZINC000775679290 628124807 /nfs/dbraw/zinc/12/48/07/628124807.db2.gz VFXAIIXMGTVHFC-OAHLLOKOSA-N 1 1 263.381 3.411 20 10 CGCDMO CN(C)CC[N@@H+](Cc1ccc(N(C)C)cc1)C1CCCC1 ZINC000779175079 628392838 /nfs/dbraw/zinc/39/28/38/628392838.db2.gz UBFYDARUJZAEPJ-UHFFFAOYSA-N 1 1 289.467 3.059 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCc2cc(F)ccc2C1 ZINC000779598553 628417997 /nfs/dbraw/zinc/41/79/97/628417997.db2.gz LYEBCWKTWZZFGK-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)C2CC2)c1 ZINC000781897177 628599327 /nfs/dbraw/zinc/59/93/27/628599327.db2.gz PFCWCEMQTINMSP-UHFFFAOYSA-N 1 1 270.170 3.057 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@H+](C)C2CC2)c1 ZINC000781897177 628599330 /nfs/dbraw/zinc/59/93/30/628599330.db2.gz PFCWCEMQTINMSP-UHFFFAOYSA-N 1 1 270.170 3.057 20 10 CGCDMO CC1(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000787049055 628981069 /nfs/dbraw/zinc/98/10/69/628981069.db2.gz KWTXGWACPLGDAG-OAHLLOKOSA-N 1 1 275.392 3.173 20 10 CGCDMO C[C@H](O)CCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000789348168 629126476 /nfs/dbraw/zinc/12/64/76/629126476.db2.gz LSYGYFKGKSXQDV-AWEZNQCLSA-N 1 1 289.375 3.148 20 10 CGCDMO CSCC[C@@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790967870 629241657 /nfs/dbraw/zinc/24/16/57/629241657.db2.gz AESXIKWMXAVQOV-MRVPVSSYSA-N 1 1 277.792 3.416 20 10 CGCDMO CO[C@@H]1C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1(C)C ZINC000790972023 629244671 /nfs/dbraw/zinc/24/46/71/629244671.db2.gz BQIKKOJADRSJRZ-NWDGAFQWSA-N 1 1 287.762 3.088 20 10 CGCDMO CC[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792169595 629343333 /nfs/dbraw/zinc/34/33/33/629343333.db2.gz MDIIODVVNFVNTC-VIFPVBQESA-N 1 1 257.736 3.417 20 10 CGCDMO CC[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792169595 629343337 /nfs/dbraw/zinc/34/33/37/629343337.db2.gz MDIIODVVNFVNTC-VIFPVBQESA-N 1 1 257.736 3.417 20 10 CGCDMO Oc1ccc(Cl)cc1Cn1c[nH+]c2c1CCCC2 ZINC000862431882 629371542 /nfs/dbraw/zinc/37/15/42/629371542.db2.gz UTRNFJUFRXZIAD-UHFFFAOYSA-N 1 1 262.740 3.169 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1O ZINC000862473459 629383891 /nfs/dbraw/zinc/38/38/91/629383891.db2.gz RLKFWMBHYIJVJR-CABCVRRESA-N 1 1 277.433 3.425 20 10 CGCDMO CC[N@H+](Cc1ccc(N2CCOCC2)cc1)CC1CCC1 ZINC000793353740 629446531 /nfs/dbraw/zinc/44/65/31/629446531.db2.gz UUJWBTYZFUMKOF-UHFFFAOYSA-N 1 1 288.435 3.145 20 10 CGCDMO OCC[C@H]1CCCCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000793609657 629490455 /nfs/dbraw/zinc/49/04/55/629490455.db2.gz QTSWBMBZKISBHK-CQSZACIVSA-N 1 1 283.799 3.173 20 10 CGCDMO COc1cc(C[N@H+]2CCCC3(CC3)CC2)c(O)cc1C ZINC000863331817 629536689 /nfs/dbraw/zinc/53/66/89/629536689.db2.gz WHTOSBZAUWKVGN-UHFFFAOYSA-N 1 1 275.392 3.475 20 10 CGCDMO C[N@H+](CCCOCCc1ccccc1)c1ccc(N)cc1 ZINC000863556694 629604922 /nfs/dbraw/zinc/60/49/22/629604922.db2.gz COOHMCVFTRSFQX-UHFFFAOYSA-N 1 1 284.403 3.354 20 10 CGCDMO C[N@@H+](CCCOCCc1ccccc1)c1ccc(N)cc1 ZINC000863556694 629604926 /nfs/dbraw/zinc/60/49/26/629604926.db2.gz COOHMCVFTRSFQX-UHFFFAOYSA-N 1 1 284.403 3.354 20 10 CGCDMO C[N@H+](CCCc1cccc(F)c1)c1ccc(N)cc1 ZINC000863558309 629604976 /nfs/dbraw/zinc/60/49/76/629604976.db2.gz FBOHKBGOBJLREV-UHFFFAOYSA-N 1 1 258.340 3.477 20 10 CGCDMO C[N@@H+](CCCc1cccc(F)c1)c1ccc(N)cc1 ZINC000863558309 629604983 /nfs/dbraw/zinc/60/49/83/629604983.db2.gz FBOHKBGOBJLREV-UHFFFAOYSA-N 1 1 258.340 3.477 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC(C)=C(C)C2)c1O ZINC000796016873 629735796 /nfs/dbraw/zinc/73/57/96/629735796.db2.gz CJSIYGWWYPDLBC-UHFFFAOYSA-N 1 1 261.365 3.333 20 10 CGCDMO CC[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(F)cc1O ZINC000796673981 629813520 /nfs/dbraw/zinc/81/35/20/629813520.db2.gz DCEOFPAEVDNUTN-HNNXBMFYSA-N 1 1 299.349 3.420 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000796787657 629834261 /nfs/dbraw/zinc/83/42/61/629834261.db2.gz OYAZICYZWGQPRT-WHOFXGATSA-N 1 1 280.387 3.055 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000796787657 629834262 /nfs/dbraw/zinc/83/42/62/629834262.db2.gz OYAZICYZWGQPRT-WHOFXGATSA-N 1 1 280.387 3.055 20 10 CGCDMO CC[C@H]([NH2+]CC1(CCO)CCC1)c1ccc(F)cc1O ZINC000796835313 629844415 /nfs/dbraw/zinc/84/44/15/629844415.db2.gz KTSQWQWTMLIGFE-AWEZNQCLSA-N 1 1 281.371 3.125 20 10 CGCDMO CC[C@H]([NH2+]C[C@H](OC)C(F)(F)F)c1ccc(F)cc1O ZINC000796871203 629852193 /nfs/dbraw/zinc/85/21/93/629852193.db2.gz DUXYVCPNYFTQSR-JQWIXIFHSA-N 1 1 295.276 3.149 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H](C)N(CC)CC)c1ccc(F)cc1O ZINC000796976263 629867809 /nfs/dbraw/zinc/86/78/09/629867809.db2.gz RIJHRCBJFHDFCU-DOMZBBRYSA-N 1 1 282.403 3.302 20 10 CGCDMO Oc1ccccc1CNC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000797890465 629997614 /nfs/dbraw/zinc/99/76/14/629997614.db2.gz MOFSDONBPXCLMT-QGZVFWFLSA-N 1 1 288.435 3.279 20 10 CGCDMO Oc1ccccc1CNC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000797890465 629997621 /nfs/dbraw/zinc/99/76/21/629997621.db2.gz MOFSDONBPXCLMT-QGZVFWFLSA-N 1 1 288.435 3.279 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c1O ZINC000799159694 630150876 /nfs/dbraw/zinc/15/08/76/630150876.db2.gz KZJVDMBDWXVBNJ-CQSZACIVSA-N 1 1 298.386 3.094 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@H]1CCOC1 ZINC000801596006 630346598 /nfs/dbraw/zinc/34/65/98/630346598.db2.gz YUEFWKIAUZLYBV-CQSZACIVSA-N 1 1 263.381 3.031 20 10 CGCDMO CCCC[N@@H+](CCOC(C)C)Cc1ccccc1O ZINC000801596606 630346883 /nfs/dbraw/zinc/34/68/83/630346883.db2.gz HJFDGNSIPNDDLY-UHFFFAOYSA-N 1 1 265.397 3.419 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCC2(C)C)c1 ZINC000806169589 630553236 /nfs/dbraw/zinc/55/32/36/630553236.db2.gz NXGDOGSGQYIOIS-HZMBPMFUSA-N 1 1 277.364 3.018 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000840095178 630591116 /nfs/dbraw/zinc/59/11/16/630591116.db2.gz OHUUHBDNBRFFGZ-ZWKOTPCHSA-N 1 1 287.403 3.152 20 10 CGCDMO CCOCC(C)(C)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000808450935 630646420 /nfs/dbraw/zinc/64/64/20/630646420.db2.gz WVHAUDAMDNQNHS-UHFFFAOYSA-N 1 1 289.778 3.337 20 10 CGCDMO CC[N@@H+](Cc1cc(OC)c(OC)cc1O)C1CC(C)(C)C1 ZINC000840184315 630796119 /nfs/dbraw/zinc/79/61/19/630796119.db2.gz NNFIVQMSOJMGCY-UHFFFAOYSA-N 1 1 293.407 3.420 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+](C)[C@H](CO)CC(C)C)c1O ZINC000809767986 630803506 /nfs/dbraw/zinc/80/35/06/630803506.db2.gz ZNBMWMNXKKBTQL-AWEZNQCLSA-N 1 1 285.815 3.193 20 10 CGCDMO CCOC1CC([N@@H+](C)Cc2cc(Cl)ccc2O)C1 ZINC000809774677 630803762 /nfs/dbraw/zinc/80/37/62/630803762.db2.gz WQBALBCDBXNAOS-UHFFFAOYSA-N 1 1 269.772 3.045 20 10 CGCDMO CC(C)[N@@H+](C)C[C@H](C)N[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000810244123 630858130 /nfs/dbraw/zinc/85/81/30/630858130.db2.gz AFQIQOPFFVJMHE-DYEKYZERSA-N 1 1 294.414 3.398 20 10 CGCDMO CC(C)[N@H+](C)C[C@H](C)N[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000810244123 630858134 /nfs/dbraw/zinc/85/81/34/630858134.db2.gz AFQIQOPFFVJMHE-DYEKYZERSA-N 1 1 294.414 3.398 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000811513547 631081291 /nfs/dbraw/zinc/08/12/91/631081291.db2.gz KAQYJFDNWGCZJR-OAHLLOKOSA-N 1 1 261.340 3.296 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](CC)[C@@H]2CCOC2)cc1 ZINC000812781081 631306809 /nfs/dbraw/zinc/30/68/09/631306809.db2.gz ZONIQSLHDMEBLY-QGZVFWFLSA-N 1 1 276.424 3.144 20 10 CGCDMO CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC(C)(C)C ZINC000812795125 631313555 /nfs/dbraw/zinc/31/35/55/631313555.db2.gz MKSOJZVXVVVJHE-UHFFFAOYSA-N 1 1 290.451 3.391 20 10 CGCDMO C[C@H]1CCCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876527784 634850679 /nfs/dbraw/zinc/85/06/79/634850679.db2.gz LWILJXKPFXYRHJ-HNNXBMFYSA-N 1 1 288.435 3.022 20 10 CGCDMO Cc1cc(C[N@@H+](C)C[C@H]2CCCCO2)ccc1N(C)C ZINC000815020568 631705446 /nfs/dbraw/zinc/70/54/46/631705446.db2.gz BJXVPRMWKCILOP-MRXNPFEDSA-N 1 1 276.424 3.062 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)C[C@@H](C)O1 ZINC000815046789 631706140 /nfs/dbraw/zinc/70/61/40/631706140.db2.gz FXOKVVYMPJDCHT-GDBMZVCRSA-N 1 1 276.424 3.060 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)C[C@@H](C)O1 ZINC000815046792 631706467 /nfs/dbraw/zinc/70/64/67/631706467.db2.gz FXOKVVYMPJDCHT-ZBFHGGJFSA-N 1 1 276.424 3.060 20 10 CGCDMO CCO[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815051472 631707836 /nfs/dbraw/zinc/70/78/36/631707836.db2.gz SPMPWKNEQPKREG-INIZCTEOSA-N 1 1 276.424 3.062 20 10 CGCDMO Cc1cc(C[N@H+]2CCOC(C)(C)[C@H]2C)ccc1N(C)C ZINC000815062305 631710560 /nfs/dbraw/zinc/71/05/60/631710560.db2.gz IGQJMMMAUQCLQT-CQSZACIVSA-N 1 1 276.424 3.060 20 10 CGCDMO Cc1cc(C[N@H+](C)[C@]2(CO)CC[C@H](C)C2)ccc1N(C)C ZINC000815095672 631716328 /nfs/dbraw/zinc/71/63/28/631716328.db2.gz FVUGYZIPDBDMKB-KBXCAEBGSA-N 1 1 290.451 3.044 20 10 CGCDMO Cc1cc(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)ccc1N(C)C ZINC000815101795 631717874 /nfs/dbraw/zinc/71/78/74/631717874.db2.gz CFDSRTWHCNUOTK-QGZVFWFLSA-N 1 1 290.451 3.308 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2ccc(N(C)CC)cc2)CCCO1 ZINC000815107375 631719185 /nfs/dbraw/zinc/71/91/85/631719185.db2.gz KTMDHOAOTABSOY-KRWDZBQOSA-N 1 1 276.424 3.144 20 10 CGCDMO Cc1cc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)[nH]n1 ZINC000815581836 631800572 /nfs/dbraw/zinc/80/05/72/631800572.db2.gz QPSUPYWZNOUXFM-SECBINFHSA-N 1 1 299.296 3.293 20 10 CGCDMO CC[C@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)OC ZINC000815628062 631808946 /nfs/dbraw/zinc/80/89/46/631808946.db2.gz QJWSQBVUZWCLFQ-VHSXEESVSA-N 1 1 291.313 3.487 20 10 CGCDMO Oc1c(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)ccc2ccccc21 ZINC000816516836 632002820 /nfs/dbraw/zinc/00/28/20/632002820.db2.gz SNPCDCLAZAKWPK-WBVHZDCISA-N 1 1 297.398 3.404 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CCOc1ccccc1 ZINC000816529157 632003991 /nfs/dbraw/zinc/00/39/91/632003991.db2.gz ITWKCAIGGJEGRA-UHFFFAOYSA-N 1 1 295.741 3.353 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000816529581 632004748 /nfs/dbraw/zinc/00/47/48/632004748.db2.gz YGGAMADOJPXJDD-HNNXBMFYSA-N 1 1 295.741 3.008 20 10 CGCDMO CO[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)C(C)(C)C ZINC000816554349 632010183 /nfs/dbraw/zinc/01/01/83/632010183.db2.gz WBHMFUHHVUNREU-ZDUSSCGKSA-N 1 1 289.778 3.335 20 10 CGCDMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1cc[nH]c(=O)c1 ZINC000816639222 632027873 /nfs/dbraw/zinc/02/78/73/632027873.db2.gz LINDZJVBNVTKGC-MRVPVSSYSA-N 1 1 296.729 3.136 20 10 CGCDMO CCc1nocc1C[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000816652573 632038681 /nfs/dbraw/zinc/03/86/81/632038681.db2.gz NUXUMWDRXDMFKD-UHFFFAOYSA-N 1 1 291.370 3.074 20 10 CGCDMO CCc1nocc1C[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000816652573 632038684 /nfs/dbraw/zinc/03/86/84/632038684.db2.gz NUXUMWDRXDMFKD-UHFFFAOYSA-N 1 1 291.370 3.074 20 10 CGCDMO [NH3+][C@H]1CCCCC[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC000817897762 632231832 /nfs/dbraw/zinc/23/18/32/632231832.db2.gz AGLSGNNJIDTIKU-ZWKOTPCHSA-N 1 1 287.451 3.036 20 10 CGCDMO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000817897762 632231836 /nfs/dbraw/zinc/23/18/36/632231836.db2.gz AGLSGNNJIDTIKU-ZWKOTPCHSA-N 1 1 287.451 3.036 20 10 CGCDMO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccsc1 ZINC000817938483 632239562 /nfs/dbraw/zinc/23/95/62/632239562.db2.gz LFBMRJHJGDVYPZ-MLGOLLRUSA-N 1 1 289.448 3.165 20 10 CGCDMO CC[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817966338 632261553 /nfs/dbraw/zinc/26/15/53/632261553.db2.gz LSVKWLLCDGUNIA-GDBMZVCRSA-N 1 1 296.842 3.476 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1[O-] ZINC000817970039 632263137 /nfs/dbraw/zinc/26/31/37/632263137.db2.gz KDEANRYIABAROU-CYZMBNFOSA-N 1 1 282.815 3.275 20 10 CGCDMO CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817971146 632264538 /nfs/dbraw/zinc/26/45/38/632264538.db2.gz AZJROHCCHPILLH-RKDXNWHRSA-N 1 1 291.222 3.348 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cc2c(cc1O)CCCC2 ZINC000818616375 632341533 /nfs/dbraw/zinc/34/15/33/632341533.db2.gz VQAALOCBEXORMP-CSMYWGQOSA-N 1 1 288.435 3.192 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000822530068 632962055 /nfs/dbraw/zinc/96/20/55/632962055.db2.gz PHAQZZKJKDJFQE-QGZVFWFLSA-N 1 1 287.403 3.173 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1cc(F)cc(F)c1O ZINC000866634931 633223837 /nfs/dbraw/zinc/22/38/37/633223837.db2.gz VWDFWBOVVQWTSN-RNCFNFMXSA-N 1 1 293.317 3.053 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@](C)(F)C2)cc1 ZINC000824472516 633249319 /nfs/dbraw/zinc/24/93/19/633249319.db2.gz UTTJVVNBMMWNJC-HNNXBMFYSA-N 1 1 250.361 3.077 20 10 CGCDMO C[C@]1(F)CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000824472132 633249453 /nfs/dbraw/zinc/24/94/53/633249453.db2.gz MDBIGVLUCYNDLN-ZDUSSCGKSA-N 1 1 257.736 3.370 20 10 CGCDMO C[C@]1(F)CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000824472132 633249456 /nfs/dbraw/zinc/24/94/56/633249456.db2.gz MDBIGVLUCYNDLN-ZDUSSCGKSA-N 1 1 257.736 3.370 20 10 CGCDMO Cc1cc([O-])c(C[NH+]2CCC(C[NH+](C)C)CC2)cc1Cl ZINC000824556411 633258901 /nfs/dbraw/zinc/25/89/01/633258901.db2.gz RXYYXLVYYJUVPC-UHFFFAOYSA-N 1 1 296.842 3.128 20 10 CGCDMO Oc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824697108 633275542 /nfs/dbraw/zinc/27/55/42/633275542.db2.gz YXZIPUBZYPUESX-BFYDXBDKSA-N 1 1 293.382 3.047 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCSC[C@H]2C2CC2)cc1C ZINC000824914100 633304775 /nfs/dbraw/zinc/30/47/75/633304775.db2.gz LOCQAWCUBLISRP-HNNXBMFYSA-N 1 1 277.433 3.336 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000824941368 633308994 /nfs/dbraw/zinc/30/89/94/633308994.db2.gz MUOHXZRTSRWNRA-WBVHZDCISA-N 1 1 257.377 3.321 20 10 CGCDMO C[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)c2nccn21 ZINC000825017552 633318411 /nfs/dbraw/zinc/31/84/11/633318411.db2.gz ULSHAYKUZVPOCN-BXKDBHETSA-N 1 1 277.755 3.038 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@@H](CO)CC(C)(C)C)c1 ZINC000825041004 633320996 /nfs/dbraw/zinc/32/09/96/633320996.db2.gz YDNSTEJWTUJUNG-CQSZACIVSA-N 1 1 295.423 3.020 20 10 CGCDMO C[N@@H+](Cc1cc(Cl)ccc1O)[C@@H](CO)CC(C)(C)C ZINC000825040623 633321039 /nfs/dbraw/zinc/32/10/39/633321039.db2.gz QENLCOCMUUZBFH-CYBMUJFWSA-N 1 1 285.815 3.275 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000825250312 633339240 /nfs/dbraw/zinc/33/92/40/633339240.db2.gz YGOKGOPZQXWVHS-UWVGGRQHSA-N 1 1 269.747 3.320 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000826538973 633412471 /nfs/dbraw/zinc/41/24/71/633412471.db2.gz MWOBMKPDPOKCJU-WFASDCNBSA-N 1 1 261.365 3.165 20 10 CGCDMO Cc1cc(C)c(COC(=O)C2=CC(=O)CS2)c(C)[nH+]1 ZINC000869395262 633438517 /nfs/dbraw/zinc/43/85/17/633438517.db2.gz ZSLVTQLDNFTSKD-UHFFFAOYSA-N 1 1 277.345 3.131 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H](CCF)C2)c(O)c1 ZINC000827271841 633477407 /nfs/dbraw/zinc/47/74/07/633477407.db2.gz UDFPBXQWDQDLJP-ZDUSSCGKSA-N 1 1 281.371 3.363 20 10 CGCDMO COc1cccc(C[NH2+]Cc2cccc(F)c2O)c1C ZINC000827780067 633516503 /nfs/dbraw/zinc/51/65/03/633516503.db2.gz RRFKYRDAZWCGCJ-UHFFFAOYSA-N 1 1 275.323 3.138 20 10 CGCDMO COc1cccc(C[N@H+]2CCc3c(F)cccc3C2)c1O ZINC000123804695 633882450 /nfs/dbraw/zinc/88/24/50/633882450.db2.gz VSRHBVABEQHRBW-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO Cc1ccncc1C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000834885880 634266673 /nfs/dbraw/zinc/26/66/73/634266673.db2.gz GIZUUQZQAIRDMA-SNVBAGLBSA-N 1 1 278.302 3.225 20 10 CGCDMO C[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1ccc(F)cc1O ZINC000834894947 634272096 /nfs/dbraw/zinc/27/20/96/634272096.db2.gz NEFDFPHMKSCKSZ-KWBADKCTSA-N 1 1 275.327 3.084 20 10 CGCDMO CC[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1ccc(F)cc1O ZINC000834905101 634281310 /nfs/dbraw/zinc/28/13/10/634281310.db2.gz QVSMKBZCDKPCKG-IUODEOHRSA-N 1 1 281.371 3.389 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccc(F)cc1O ZINC000834914487 634286074 /nfs/dbraw/zinc/28/60/74/634286074.db2.gz FUGURGVMLUHWRW-OSMZGAPFSA-N 1 1 267.344 3.140 20 10 CGCDMO CC[C@H]([NH2+]Cc1cc(N)cc(F)c1)c1ccc(F)cc1O ZINC000873291524 634322627 /nfs/dbraw/zinc/32/26/27/634322627.db2.gz WUFIQNXRLZQILJ-HNNXBMFYSA-N 1 1 292.329 3.494 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+](CCO)C2CCCC2)cc1 ZINC000835026475 634325745 /nfs/dbraw/zinc/32/57/45/634325745.db2.gz XMRPUORBTIFQFQ-WAYWQWQTSA-N 1 1 288.435 3.003 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)Cc2ccoc2)cc1 ZINC000835026709 634325817 /nfs/dbraw/zinc/32/58/17/634325817.db2.gz FLMZKGNKNBBQFQ-SNAWJCMRSA-N 1 1 270.376 3.491 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)[C@H]2CC[C@H](O)CC2)cc1 ZINC000835045018 634332758 /nfs/dbraw/zinc/33/27/58/634332758.db2.gz HQFYXKZGCDQBFE-YFTNUUPDSA-N 1 1 288.435 3.001 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+](CC(C)(C)O)C2CC2)cc1 ZINC000835045988 634332813 /nfs/dbraw/zinc/33/28/13/634332813.db2.gz MVAZHVXUYCYWQY-WAYWQWQTSA-N 1 1 288.435 3.001 20 10 CGCDMO CC(C)C[C@@H](CO)[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835054507 634338529 /nfs/dbraw/zinc/33/85/29/634338529.db2.gz WEXKXUHQFJFKIG-MJRGOJFPSA-N 1 1 290.451 3.105 20 10 CGCDMO COCC[N@@H+](Cc1ccc(C)o1)Cc1ccc(C)cc1O ZINC000876773873 634896554 /nfs/dbraw/zinc/89/65/54/634896554.db2.gz XPWNTPSDFCKPFU-UHFFFAOYSA-N 1 1 289.375 3.251 20 10 CGCDMO CO[C@@](C)([C@H](C)[NH2+][C@H](C)c1ccc(F)cc1O)C1CC1 ZINC000840860574 635067359 /nfs/dbraw/zinc/06/73/59/635067359.db2.gz VXIRKCTVHAKDEB-GDLVEWKHSA-N 1 1 281.371 3.386 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](CCCCO)C2CC2)c(Cl)c1 ZINC000840915342 635081702 /nfs/dbraw/zinc/08/17/02/635081702.db2.gz PLFFIMSJHYHXCT-UHFFFAOYSA-N 1 1 283.799 3.091 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@]3(C2)CCCOC3)c(Cl)c1 ZINC000840943396 635087968 /nfs/dbraw/zinc/08/79/68/635087968.db2.gz QBDVWTZIEBZTRH-INIZCTEOSA-N 1 1 295.810 3.357 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCSC[C@@H](C)C1 ZINC000840941759 635088646 /nfs/dbraw/zinc/08/86/46/635088646.db2.gz KQHVUQCDWGBLPY-ZDUSSCGKSA-N 1 1 278.465 3.246 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)CCCn2ccnc2)c(Cl)c1 ZINC000840948441 635089591 /nfs/dbraw/zinc/08/95/91/635089591.db2.gz IDKWRPNDJJTLOB-UHFFFAOYSA-N 1 1 293.798 3.073 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000840959615 635094251 /nfs/dbraw/zinc/09/42/51/635094251.db2.gz YYKSOMCEGIZBEH-SJORKVTESA-N 1 1 283.371 3.009 20 10 CGCDMO Cc1ccc(C[N@@H+]2Cc3cccc(F)c3C2)c(O)c1 ZINC000877584413 635102167 /nfs/dbraw/zinc/10/21/67/635102167.db2.gz FKDJDSONPFTCTR-UHFFFAOYSA-N 1 1 257.308 3.356 20 10 CGCDMO Cc1ccc(C[N@H+]2Cc3cccc(F)c3C2)c(O)c1 ZINC000877584413 635102170 /nfs/dbraw/zinc/10/21/70/635102170.db2.gz FKDJDSONPFTCTR-UHFFFAOYSA-N 1 1 257.308 3.356 20 10 CGCDMO [NH3+]C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])C1CCCCC1 ZINC000841039260 635112095 /nfs/dbraw/zinc/11/20/95/635112095.db2.gz HNBDFIWEGVXAGR-AWEZNQCLSA-N 1 1 282.815 3.043 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000877617961 635114176 /nfs/dbraw/zinc/11/41/76/635114176.db2.gz AVLGCCSFVYIJQL-HNNXBMFYSA-N 1 1 275.392 3.234 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000877635908 635125363 /nfs/dbraw/zinc/12/53/63/635125363.db2.gz HKOQQVVAMZDYEV-UHFFFAOYSA-N 1 1 287.403 3.092 20 10 CGCDMO CCn1nc(C)c(C[N@@H+](C)Cc2ccc(C)cc2O)c1C ZINC000877664065 635137596 /nfs/dbraw/zinc/13/75/96/635137596.db2.gz LAPVDCHNYZBWLD-UHFFFAOYSA-N 1 1 287.407 3.166 20 10 CGCDMO CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841754117 635228140 /nfs/dbraw/zinc/22/81/40/635228140.db2.gz ZEQSTLSOZHTJBO-NEPJUHHUSA-N 1 1 284.831 3.427 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1ccc(Cl)cc1O ZINC000841755286 635229056 /nfs/dbraw/zinc/22/90/56/635229056.db2.gz IXYZSNUEWRACHR-DMDPSCGWSA-N 1 1 283.799 3.247 20 10 CGCDMO CC1([NH2+]Cc2cc(Cl)c(F)cc2O)CC(F)(F)C1 ZINC000877834652 635235061 /nfs/dbraw/zinc/23/50/61/635235061.db2.gz UUJUGWZXLFWJFY-UHFFFAOYSA-N 1 1 279.689 3.462 20 10 CGCDMO CO[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)CC(C)C ZINC000841888526 635247622 /nfs/dbraw/zinc/24/76/22/635247622.db2.gz KTYVDNXOBZPGBN-LLVKDONJSA-N 1 1 289.778 3.335 20 10 CGCDMO C=C/C=C\CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000877922770 635272697 /nfs/dbraw/zinc/27/26/97/635272697.db2.gz GUCHXMXKUNDMIU-PLNGDYQASA-N 1 1 286.419 3.087 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC2(CCC2)C1 ZINC000127152004 635527344 /nfs/dbraw/zinc/52/73/44/635527344.db2.gz OYGUWMVGNBKECD-UHFFFAOYSA-N 1 1 251.757 3.422 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c1O ZINC000843419076 635664491 /nfs/dbraw/zinc/66/44/91/635664491.db2.gz BFBRMBPJLLFBCM-OAHLLOKOSA-N 1 1 298.386 3.175 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000843419693 635664702 /nfs/dbraw/zinc/66/47/02/635664702.db2.gz PTKNYJUCQZLNHR-CYBMUJFWSA-N 1 1 288.778 3.430 20 10 CGCDMO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000846015071 636129613 /nfs/dbraw/zinc/12/96/13/636129613.db2.gz UMHXKNWDGDBSBR-TVQRCGJNSA-N 1 1 289.778 3.071 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](OC(C)C)C2)c1 ZINC000846016830 636129700 /nfs/dbraw/zinc/12/97/00/636129700.db2.gz XSMVSGUHNVOUGY-MRXNPFEDSA-N 1 1 293.407 3.180 20 10 CGCDMO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000846015059 636129773 /nfs/dbraw/zinc/12/97/73/636129773.db2.gz UMHXKNWDGDBSBR-NOZJJQNGSA-N 1 1 289.778 3.071 20 10 CGCDMO CCn1cc(C[N@@H+](Cc2ccccc2O)C(C)C)cn1 ZINC000846054918 636139794 /nfs/dbraw/zinc/13/97/94/636139794.db2.gz HWFDRNUPWYDQKP-UHFFFAOYSA-N 1 1 273.380 3.019 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000129964631 636401530 /nfs/dbraw/zinc/40/15/30/636401530.db2.gz KTYYERZAHJMPLP-NSHDSACASA-N 1 1 281.783 3.047 20 10 CGCDMO CC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@H]1CCCCO1 ZINC000883162108 636561469 /nfs/dbraw/zinc/56/14/69/636561469.db2.gz JSTHIQCWUSDEPW-UONOGXRCSA-N 1 1 285.334 3.108 20 10 CGCDMO CCc1cccc(C[N@H+]2CCS[C@@H](C)[C@H]2C)c1O ZINC000848887296 636674929 /nfs/dbraw/zinc/67/49/29/636674929.db2.gz SFWKBQDLQJZGLK-NEPJUHHUSA-N 1 1 265.422 3.280 20 10 CGCDMO CCc1cccc(C[N@H+](C)Cc2nccs2)c1O ZINC000848887751 636676128 /nfs/dbraw/zinc/67/61/28/636676128.db2.gz DIKFPXICDZTFGA-UHFFFAOYSA-N 1 1 262.378 3.043 20 10 CGCDMO CCc1cccc(C[N@@H+](C)Cc2nccs2)c1O ZINC000848887751 636676132 /nfs/dbraw/zinc/67/61/32/636676132.db2.gz DIKFPXICDZTFGA-UHFFFAOYSA-N 1 1 262.378 3.043 20 10 CGCDMO CCc1cccc(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)c1O ZINC000848891021 636677838 /nfs/dbraw/zinc/67/78/38/636677838.db2.gz WEWUHASQHNPKSY-INIZCTEOSA-N 1 1 299.418 3.198 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)c1O ZINC000848907826 636685663 /nfs/dbraw/zinc/68/56/63/636685663.db2.gz UGSVEAHJNGTOSV-MRXNPFEDSA-N 1 1 299.418 3.068 20 10 CGCDMO CCc1cccc(C[N@H+]2CCCC[C@H]2c2ccnn2C)c1O ZINC000848909037 636686759 /nfs/dbraw/zinc/68/67/59/636686759.db2.gz JDYWNLZYBWXLPH-KRWDZBQOSA-N 1 1 299.418 3.415 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@H](COC)CC2)c1O ZINC000848915740 636689937 /nfs/dbraw/zinc/68/99/37/636689937.db2.gz ZLKYGHBDNMDENC-CQSZACIVSA-N 1 1 277.408 3.203 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@H](OC3CCC3)C2)c1O ZINC000848925044 636697317 /nfs/dbraw/zinc/69/73/17/636697317.db2.gz LQHBBHDGKSWWMV-INIZCTEOSA-N 1 1 275.392 3.234 20 10 CGCDMO COC[C@@H](C)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000187260312 636800596 /nfs/dbraw/zinc/80/05/96/636800596.db2.gz HYPQNGKSSXBUEI-AWEZNQCLSA-N 1 1 277.408 3.419 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C(C)C)C2CC2)c1 ZINC000850553862 637119276 /nfs/dbraw/zinc/11/92/76/637119276.db2.gz AGYPFKGNEABPOJ-BZNIZROVSA-N 1 1 291.391 3.264 20 10 CGCDMO CCCN1CC[C@@H]([NH2+][C@H](CC)c2ccc(F)cc2O)C1 ZINC000850556081 637120445 /nfs/dbraw/zinc/12/04/45/637120445.db2.gz QSQQZGBEWDOLOB-UKRRQHHQSA-N 1 1 280.387 3.056 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccc(F)cc1O ZINC000850571871 637128898 /nfs/dbraw/zinc/12/88/98/637128898.db2.gz DGTIKSVVNLAJED-GXFFZTMASA-N 1 1 277.343 3.067 20 10 CGCDMO C[C@@H]([NH2+][C@H](C)c1c(O)cccc1F)c1ccccn1 ZINC000886489445 637539027 /nfs/dbraw/zinc/53/90/27/637539027.db2.gz IXNGJDJZTPJOFI-GHMZBOCLSA-N 1 1 260.312 3.338 20 10 CGCDMO Cc1ccc(C[NH2+][C@H](C)c2c(O)cccc2F)cn1 ZINC000886505370 637544780 /nfs/dbraw/zinc/54/47/80/637544780.db2.gz YDTJBWHLBZIAIA-LLVKDONJSA-N 1 1 260.312 3.086 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1c(O)cccc1F ZINC000886520625 637550870 /nfs/dbraw/zinc/55/08/70/637550870.db2.gz IOQIYRUUFRNLLO-NSHDSACASA-N 1 1 287.334 3.317 20 10 CGCDMO C[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1c(O)cccc1F ZINC000886531170 637555725 /nfs/dbraw/zinc/55/57/25/637555725.db2.gz XLLPNBOKPVRJIB-BONVTDFDSA-N 1 1 295.379 3.151 20 10 CGCDMO CO[C@H](C[NH2+][C@@H](C)c1c(O)cccc1F)C(C)(C)C ZINC000886534275 637560711 /nfs/dbraw/zinc/56/07/11/637560711.db2.gz FELACUKDKPMBGJ-GXFFZTMASA-N 1 1 269.360 3.243 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)c1c(O)cccc1F)[C@@H]1CCCO1 ZINC000886557133 637578964 /nfs/dbraw/zinc/57/89/64/637578964.db2.gz ULCXINIKFASXGZ-JKOKRWQUSA-N 1 1 267.344 3.140 20 10 CGCDMO C[C@H](C[NH2+][C@@H](C)c1c(O)cccc1F)c1nccs1 ZINC000886590382 637596568 /nfs/dbraw/zinc/59/65/68/637596568.db2.gz UIBUXPKHMLCREN-ZJUUUORDSA-N 1 1 280.368 3.442 20 10 CGCDMO CO[C@H](C[NH2+][C@@H](C)c1c(O)cccc1F)CC(C)C ZINC000886627222 637616673 /nfs/dbraw/zinc/61/66/73/637616673.db2.gz WLJQHWMTFKDVEV-RYUDHWBXSA-N 1 1 269.360 3.243 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1c(O)cccc1F ZINC000886631322 637618542 /nfs/dbraw/zinc/61/85/42/637618542.db2.gz KDTGAVXEYVLJCV-IQJOONFLSA-N 1 1 255.358 3.076 20 10 CGCDMO CS[C@H]1C[C@H]([NH2+][C@@H](C)c2c(O)cccc2F)C1 ZINC000886646251 637624920 /nfs/dbraw/zinc/62/49/20/637624920.db2.gz CUSOIYQFGHJVIW-GUBZILKMSA-N 1 1 255.358 3.076 20 10 CGCDMO CCC[C@H](C[NH2+][C@H](C)c1c(O)cccc1F)OCC ZINC000886641821 637624952 /nfs/dbraw/zinc/62/49/52/637624952.db2.gz SNJMLLKFSYFEQH-VXGBXAGGSA-N 1 1 269.360 3.387 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1ccc(F)cc1O ZINC000886701480 637663529 /nfs/dbraw/zinc/66/35/29/637663529.db2.gz QDRVCEAIDJYPJO-AAEUAGOBSA-N 1 1 279.355 3.141 20 10 CGCDMO COC1CCN(c2ccc(C[N@@H+](C)CCCF)cc2)CC1 ZINC000887142471 637759290 /nfs/dbraw/zinc/75/92/90/637759290.db2.gz LENQSHACUJKNPF-UHFFFAOYSA-N 1 1 294.414 3.093 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CC3(CCC3)OC[C@H]2C)c1 ZINC000853543064 637865205 /nfs/dbraw/zinc/86/52/05/637865205.db2.gz ZLGLOCHAPNOCTE-CQSZACIVSA-N 1 1 275.392 3.152 20 10 CGCDMO Cc1ccc(O)c([C@@H](C)[N@H+]2CCOc3ccc(N)cc3C2)c1 ZINC000925755750 638597877 /nfs/dbraw/zinc/59/78/77/638597877.db2.gz XNKFXRUNYKTBCV-CYBMUJFWSA-N 1 1 298.386 3.238 20 10 CGCDMO C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccccn1 ZINC000858086151 638622915 /nfs/dbraw/zinc/62/29/15/638622915.db2.gz CALNVRQKJZTGGC-NSHDSACASA-N 1 1 291.345 3.277 20 10 CGCDMO C[C@H]([NH2+]C[C@@]1(C)CCCCO1)c1c(O)cccc1F ZINC000927014542 638831516 /nfs/dbraw/zinc/83/15/16/638831516.db2.gz OHZGGUBSVMDVLX-XHDPSFHLSA-N 1 1 267.344 3.141 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@H]1CCCC2(CCC2)O1 ZINC000929975031 638965526 /nfs/dbraw/zinc/96/55/26/638965526.db2.gz CUDVEVKHUIKSGT-OAHLLOKOSA-N 1 1 275.392 3.316 20 10 CGCDMO C[C@H]1CCCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000187514295 639692476 /nfs/dbraw/zinc/69/24/76/639692476.db2.gz XXWJXHKKVKLQGP-INIZCTEOSA-N 1 1 288.435 3.145 20 10 CGCDMO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000160080223 640087525 /nfs/dbraw/zinc/08/75/25/640087525.db2.gz MTDMBUIJDIUAOR-CABCVRRESA-N 1 1 277.456 3.134 20 10 CGCDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000160080223 640087528 /nfs/dbraw/zinc/08/75/28/640087528.db2.gz MTDMBUIJDIUAOR-CABCVRRESA-N 1 1 277.456 3.134 20 10 CGCDMO Cn1c(-c2ccccc2)cnc1SC[C@H]1CC[N@@H+](C)C1 ZINC000187671607 640093552 /nfs/dbraw/zinc/09/35/52/640093552.db2.gz ISGFPNGSNAHNKQ-ZDUSSCGKSA-N 1 1 287.432 3.131 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCS[C@H](C)CC2)cc1C ZINC000191664384 640325937 /nfs/dbraw/zinc/32/59/37/640325937.db2.gz GYLGJZUJRLRSJK-CYBMUJFWSA-N 1 1 265.422 3.336 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2C(C)C)c1O ZINC000088837865 640626673 /nfs/dbraw/zinc/62/66/73/640626673.db2.gz DYCDGPQVMRWZMO-HNNXBMFYSA-N 1 1 279.355 3.354 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC[C@H](C)[C@H]2C)c1O ZINC000245948695 640650339 /nfs/dbraw/zinc/65/03/39/640650339.db2.gz SFMRASGONVPLPZ-QWHCGFSZSA-N 1 1 263.381 3.411 20 10 CGCDMO CC[C@H](C)[N@H+](C)CCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000247019156 640707056 /nfs/dbraw/zinc/70/70/56/640707056.db2.gz MTDMBUIJDIUAOR-LSDHHAIUSA-N 1 1 277.456 3.134 20 10 CGCDMO CC[C@H](C)[N@@H+](C)CCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000247019156 640707061 /nfs/dbraw/zinc/70/70/61/640707061.db2.gz MTDMBUIJDIUAOR-LSDHHAIUSA-N 1 1 277.456 3.134 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2ccccc2O)cc1F ZINC000091974670 640728503 /nfs/dbraw/zinc/72/85/03/640728503.db2.gz LFXWIUXJFZZUGF-UHFFFAOYSA-N 1 1 259.324 3.472 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)C(C2CC2)C2CC2)cc1 ZINC000092703941 640743371 /nfs/dbraw/zinc/74/33/71/640743371.db2.gz MIWLVKCXLATZGD-UHFFFAOYSA-N 1 1 258.409 3.373 20 10 CGCDMO CCc1cnc(C[N@H+](C)Cc2cc(C)ccc2O)s1 ZINC000093807690 640781469 /nfs/dbraw/zinc/78/14/69/640781469.db2.gz IGOZHAUFFRKMIR-UHFFFAOYSA-N 1 1 276.405 3.352 20 10 CGCDMO CCc1cnc(C[N@@H+](C)Cc2cc(C)ccc2O)s1 ZINC000093807690 640781471 /nfs/dbraw/zinc/78/14/71/640781471.db2.gz IGOZHAUFFRKMIR-UHFFFAOYSA-N 1 1 276.405 3.352 20 10 CGCDMO COc1ccc(C[C@@H](C)[N@@H+](C)Cc2ccccc2O)cc1 ZINC001254046104 806333766 /nfs/dbraw/zinc/33/37/66/806333766.db2.gz HKKVOJVDCQFSFX-CQSZACIVSA-N 1 1 285.387 3.464 20 10 CGCDMO Oc1c(C[NH2+][C@@H]2CCSC2)cc(Cl)c2cccnc12 ZINC001255270722 806588206 /nfs/dbraw/zinc/58/82/06/806588206.db2.gz KSVFTNUZWZZCAV-SNVBAGLBSA-N 1 1 294.807 3.189 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CCc2ccccc2C1 ZINC000160194804 799076108 /nfs/dbraw/zinc/07/61/08/799076108.db2.gz BREABSURRKVAAH-UHFFFAOYSA-N 1 1 257.308 3.090 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CCc2ccccc2C1 ZINC000160194804 799076114 /nfs/dbraw/zinc/07/61/14/799076114.db2.gz BREABSURRKVAAH-UHFFFAOYSA-N 1 1 257.308 3.090 20 10 CGCDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000384314622 799415338 /nfs/dbraw/zinc/41/53/38/799415338.db2.gz RVNPQZGFRNDZOB-MEBBXXQBSA-N 1 1 279.355 3.354 20 10 CGCDMO C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccc(F)cc1O ZINC000397982273 799524620 /nfs/dbraw/zinc/52/46/20/799524620.db2.gz SBHDTCZWQYRGEC-WCABBAIRSA-N 1 1 255.358 3.076 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C3CC3)C2)c1O ZINC000400063237 799543200 /nfs/dbraw/zinc/54/32/00/799543200.db2.gz BTUKKJAXIVPQHN-LBPRGKRZSA-N 1 1 293.794 3.480 20 10 CGCDMO C[C@H]1CCC[N@H+]1Cc1c(O)cccc1Br ZINC000707171902 799975407 /nfs/dbraw/zinc/97/54/07/799975407.db2.gz OCEGQHSRQFFILR-VIFPVBQESA-N 1 1 270.170 3.139 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)c1 ZINC000708603382 799992032 /nfs/dbraw/zinc/99/20/32/799992032.db2.gz YZGMASPXRRZNMI-CYBMUJFWSA-N 1 1 273.298 3.475 20 10 CGCDMO Oc1cccc(Cl)c1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000719541964 800242339 /nfs/dbraw/zinc/24/23/39/800242339.db2.gz WFTIVNCZFRIGSC-UHFFFAOYSA-N 1 1 294.807 3.281 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1c(O)cccc1F ZINC000886643447 800545528 /nfs/dbraw/zinc/54/55/28/800545528.db2.gz VSRIQHVPUFCLTK-JSGCOSHPSA-N 1 1 292.398 3.199 20 10 CGCDMO CC(C)(C)[NH+]1CCC(N2CCc3cccc(O)c3C2)CC1 ZINC001256574841 806921186 /nfs/dbraw/zinc/92/11/86/806921186.db2.gz FOGARUQKOVPUQP-UHFFFAOYSA-N 1 1 288.435 3.013 20 10 CGCDMO CCCCC[N@@H+](CCO)Cc1cc(Cl)c(C)cc1O ZINC001180546389 810009950 /nfs/dbraw/zinc/00/99/50/810009950.db2.gz IVIGECXRQILCET-UHFFFAOYSA-N 1 1 285.815 3.339 20 10 CGCDMO CN(C)c1ccc(C[N@H+](C)Cc2cn3ccccc3n2)cc1 ZINC001136883032 803658103 /nfs/dbraw/zinc/65/81/03/803658103.db2.gz USOIEDSNSJQVHH-UHFFFAOYSA-N 1 1 294.402 3.032 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cn3ccccc3n2)cc1 ZINC001136883032 803658108 /nfs/dbraw/zinc/65/81/08/803658108.db2.gz USOIEDSNSJQVHH-UHFFFAOYSA-N 1 1 294.402 3.032 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc3[nH]cnc3c2)cc1 ZINC001137048801 803676209 /nfs/dbraw/zinc/67/62/09/803676209.db2.gz JHBJHOCZMGQZSV-UHFFFAOYSA-N 1 1 294.402 3.261 20 10 CGCDMO CN(C)c1ccc(C[N@H+](C)Cc2ccc3nc[nH]c3c2)cc1 ZINC001137048801 803676211 /nfs/dbraw/zinc/67/62/11/803676211.db2.gz JHBJHOCZMGQZSV-UHFFFAOYSA-N 1 1 294.402 3.261 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc3nc[nH]c3c2)cc1 ZINC001137048801 803676214 /nfs/dbraw/zinc/67/62/14/803676214.db2.gz JHBJHOCZMGQZSV-UHFFFAOYSA-N 1 1 294.402 3.261 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001137832782 803778328 /nfs/dbraw/zinc/77/83/28/803778328.db2.gz HNXKNGBXTDRKOB-AOOOYVTPSA-N 1 1 271.282 3.008 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001137832782 803778334 /nfs/dbraw/zinc/77/83/34/803778334.db2.gz HNXKNGBXTDRKOB-AOOOYVTPSA-N 1 1 271.282 3.008 20 10 CGCDMO Cc1c(C[N@@H+](C)CC2CCOCC2)c2ccccc2n1C ZINC001138252442 803880510 /nfs/dbraw/zinc/88/05/10/803880510.db2.gz HKRQFRVVVBOTOL-UHFFFAOYSA-N 1 1 286.419 3.345 20 10 CGCDMO Cc1c(C[N@H+]2CCOC[C@@H]2C2CC2)c2ccccc2n1C ZINC001138259565 803885325 /nfs/dbraw/zinc/88/53/25/803885325.db2.gz JINCHFAAWXFXDS-GOSISDBHSA-N 1 1 284.403 3.098 20 10 CGCDMO CC(C)C[N@@H+](C)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138336361 803899740 /nfs/dbraw/zinc/89/97/40/803899740.db2.gz QWNSNSFXGQXPHQ-UHFFFAOYSA-N 1 1 288.435 3.179 20 10 CGCDMO CC[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138359309 803902783 /nfs/dbraw/zinc/90/27/83/803902783.db2.gz QVGFGRIJFDGRNE-CQSZACIVSA-N 1 1 258.409 3.301 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1ccc3cccnc3c1)CC2 ZINC001139171572 804150402 /nfs/dbraw/zinc/15/04/02/804150402.db2.gz YIENMRDLHYMZBF-UHFFFAOYSA-N 1 1 290.366 3.499 20 10 CGCDMO C[N@@H+](Cc1cc(Cl)ccn1)Cc1ccccc1O ZINC001139566150 804211023 /nfs/dbraw/zinc/21/10/23/804211023.db2.gz RDEIAJSJYPNDKW-UHFFFAOYSA-N 1 1 262.740 3.073 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@](C)(F)C2)ccc1N(C)C ZINC001139669605 804246674 /nfs/dbraw/zinc/24/66/74/804246674.db2.gz DCZIKYJQGDVINR-INIZCTEOSA-N 1 1 264.388 3.385 20 10 CGCDMO Cc1cc(C[N@H+]2CCc3c(O)cccc3C2)ccc1N(C)C ZINC001139669796 804247032 /nfs/dbraw/zinc/24/70/32/804247032.db2.gz OJINCFLAANSDDQ-UHFFFAOYSA-N 1 1 296.414 3.325 20 10 CGCDMO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC001139673919 804247345 /nfs/dbraw/zinc/24/73/45/804247345.db2.gz NGLDNDSXWHVZFJ-KRWDZBQOSA-N 1 1 274.408 3.005 20 10 CGCDMO Cc1cc(C[N@H+]2CCCC[C@@H](F)C2)ccc1N(C)C ZINC001139669679 804247756 /nfs/dbraw/zinc/24/77/56/804247756.db2.gz GVHJYZCABUAVEY-OAHLLOKOSA-N 1 1 264.388 3.385 20 10 CGCDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139684563 804252056 /nfs/dbraw/zinc/25/20/56/804252056.db2.gz ZHWPGLPEEYSIMQ-ZDUSSCGKSA-N 1 1 285.334 3.060 20 10 CGCDMO CC[N@@H+](CCN1CCCCC1)Cc1c(C)ccc(C)c1O ZINC001140184051 804396489 /nfs/dbraw/zinc/39/64/89/804396489.db2.gz KXQQWOHRZLAIQT-UHFFFAOYSA-N 1 1 290.451 3.317 20 10 CGCDMO CCN(CC[NH+]1CCCCC1)Cc1c(C)ccc(C)c1O ZINC001140184051 804396496 /nfs/dbraw/zinc/39/64/96/804396496.db2.gz KXQQWOHRZLAIQT-UHFFFAOYSA-N 1 1 290.451 3.317 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2c(C)ccc(C)c2O)[C@H](C)C1 ZINC001140184674 804399206 /nfs/dbraw/zinc/39/92/06/804399206.db2.gz DPZIOOBSGZKELS-KGLIPLIRSA-N 1 1 263.381 3.008 20 10 CGCDMO Oc1cccc(Cl)c1C[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001140337847 804417895 /nfs/dbraw/zinc/41/78/95/804417895.db2.gz JJMRBJZFQREFES-SCZZXKLOSA-N 1 1 273.710 3.133 20 10 CGCDMO Cc1ccc(C[N@@H+](C)Cc2c(O)cccc2Cl)cn1 ZINC001140342202 804419567 /nfs/dbraw/zinc/41/95/67/804419567.db2.gz XHTQUVYYYGLPSU-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2c(O)cccc2Cl)cn1 ZINC001140342202 804419570 /nfs/dbraw/zinc/41/95/70/804419570.db2.gz XHTQUVYYYGLPSU-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001140463081 804442323 /nfs/dbraw/zinc/44/23/23/804442323.db2.gz RWHSMNPTVDSVSP-NHYWBVRUSA-N 1 1 281.783 3.047 20 10 CGCDMO CCO[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140467580 804444298 /nfs/dbraw/zinc/44/42/98/804444298.db2.gz YIAHGQSVGBCAJC-ZDUSSCGKSA-N 1 1 269.772 3.047 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)c1O ZINC001140745334 804502821 /nfs/dbraw/zinc/50/28/21/804502821.db2.gz GCIBUGUMBGCVEG-OAHLLOKOSA-N 1 1 284.359 3.138 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](F)C[C@H]2C)c(O)c1 ZINC001140850319 804533101 /nfs/dbraw/zinc/53/31/01/804533101.db2.gz IUZYHAHAFHVCRX-OCCSQVGLSA-N 1 1 280.387 3.171 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCSC)c(O)c1 ZINC001140857357 804535432 /nfs/dbraw/zinc/53/54/32/804535432.db2.gz PHCMHXJAPVKTIJ-UHFFFAOYSA-N 1 1 282.453 3.033 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2Cl)C[C@@H]1F ZINC001140921605 804548985 /nfs/dbraw/zinc/54/89/85/804548985.db2.gz JZVMJFJEPAUVRM-YGRLFVJLSA-N 1 1 270.779 3.196 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2Cl)C[C@@H]1F ZINC001140921605 804548991 /nfs/dbraw/zinc/54/89/91/804548991.db2.gz JZVMJFJEPAUVRM-YGRLFVJLSA-N 1 1 270.779 3.196 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@]3(CCOC3)C2)c(Cl)c1 ZINC001140922395 804549445 /nfs/dbraw/zinc/54/94/45/804549445.db2.gz PUDVBHWETOEGLV-INIZCTEOSA-N 1 1 294.826 3.018 20 10 CGCDMO COc1ccc2c(c1)C[N@H+](Cc1ccc(C)cc1O)CC2 ZINC001140948160 804555575 /nfs/dbraw/zinc/55/55/75/804555575.db2.gz WAERQKIIBZCBKB-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO COc1cccc2c1C[N@@H+](Cc1ccc(C)cc1O)CC2 ZINC001140947909 804555803 /nfs/dbraw/zinc/55/58/03/804555803.db2.gz KUAVGQPULOKECI-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@H](Oc3ccncc3)C2)c(O)c1 ZINC001140953550 804558599 /nfs/dbraw/zinc/55/85/99/804558599.db2.gz BFRHLJMILXQJOP-KRWDZBQOSA-N 1 1 298.386 3.139 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246860481 804566286 /nfs/dbraw/zinc/56/62/86/804566286.db2.gz IERTWQROUUAUMX-DOTOQJQBSA-N 1 1 290.451 3.381 20 10 CGCDMO CC[N@H+](Cc1ccccc1[O-])[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246860481 804566292 /nfs/dbraw/zinc/56/62/92/804566292.db2.gz IERTWQROUUAUMX-DOTOQJQBSA-N 1 1 290.451 3.381 20 10 CGCDMO CC[N@@H+](Cc1ccccc1[O-])[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246860481 804566297 /nfs/dbraw/zinc/56/62/97/804566297.db2.gz IERTWQROUUAUMX-DOTOQJQBSA-N 1 1 290.451 3.381 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)Cc2ccsc2)c(OC)c1 ZINC001141028235 804574706 /nfs/dbraw/zinc/57/47/06/804574706.db2.gz GWDWUZHVRWPOLR-UHFFFAOYSA-N 1 1 293.388 3.103 20 10 CGCDMO C[C@H]1CCCCC[N@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141143066 804597054 /nfs/dbraw/zinc/59/70/54/804597054.db2.gz LZZPBPQVJMICJL-AWEZNQCLSA-N 1 1 274.408 3.280 20 10 CGCDMO Cc1ccccc1C[N@H+](C)Cc1cc(O)ccc1O ZINC001141158674 804599635 /nfs/dbraw/zinc/59/96/35/804599635.db2.gz JFMXVIIYKYVGRU-UHFFFAOYSA-N 1 1 257.333 3.038 20 10 CGCDMO Oc1ccc(O)c(C[N@@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC001141155716 804600296 /nfs/dbraw/zinc/60/02/96/804600296.db2.gz GSMSTGNQFKLAHJ-UHFFFAOYSA-N 1 1 289.762 3.310 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC001141155716 804600302 /nfs/dbraw/zinc/60/03/02/804600302.db2.gz GSMSTGNQFKLAHJ-UHFFFAOYSA-N 1 1 289.762 3.310 20 10 CGCDMO C[N@@H+](CCc1ccccc1Cl)Cc1cc(O)ccc1O ZINC001141159388 804600517 /nfs/dbraw/zinc/60/05/17/804600517.db2.gz FVWWFAQBRZPLLJ-UHFFFAOYSA-N 1 1 291.778 3.426 20 10 CGCDMO C[N@H+](Cc1ccccc1)Cc1cc(F)c(F)cc1O ZINC001142502340 804726847 /nfs/dbraw/zinc/72/68/47/804726847.db2.gz NEUSCBMHRKYXIG-UHFFFAOYSA-N 1 1 263.287 3.302 20 10 CGCDMO C[N@@H+](Cc1ccccc1)Cc1cc(F)c(F)cc1O ZINC001142502340 804726850 /nfs/dbraw/zinc/72/68/50/804726850.db2.gz NEUSCBMHRKYXIG-UHFFFAOYSA-N 1 1 263.287 3.302 20 10 CGCDMO CC(C)[C@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142527465 804733944 /nfs/dbraw/zinc/73/39/44/804733944.db2.gz VUTDRDKZPIVVAL-CYBMUJFWSA-N 1 1 255.308 3.291 20 10 CGCDMO CC(C)[C@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142527465 804733949 /nfs/dbraw/zinc/73/39/49/804733949.db2.gz VUTDRDKZPIVVAL-CYBMUJFWSA-N 1 1 255.308 3.291 20 10 CGCDMO CC(C)[C@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142527465 804733952 /nfs/dbraw/zinc/73/39/52/804733952.db2.gz VUTDRDKZPIVVAL-CYBMUJFWSA-N 1 1 255.308 3.291 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccn3ccnc23)cc1 ZINC001142959880 804789976 /nfs/dbraw/zinc/78/99/76/804789976.db2.gz DHMVASNQLBDNRY-UHFFFAOYSA-N 1 1 294.402 3.032 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)C[C@]1(C)O ZINC001143104192 804801615 /nfs/dbraw/zinc/80/16/15/804801615.db2.gz QKPWMBWDGASJMK-ACJLOTCBSA-N 1 1 291.435 3.283 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CCC[C@@]3(CCO3)C2)c1O ZINC001143112057 804804233 /nfs/dbraw/zinc/80/42/33/804804233.db2.gz JDJVIRDXRWEVBV-GOSISDBHSA-N 1 1 289.419 3.445 20 10 CGCDMO CC[N@H+](Cc1cc(Br)c(F)cc1O)C1CC1 ZINC001144298398 804969619 /nfs/dbraw/zinc/96/96/19/804969619.db2.gz CWPAWXAPKGQSFO-UHFFFAOYSA-N 1 1 288.160 3.278 20 10 CGCDMO CC[N@@H+](Cc1cc(Br)c(F)cc1O)C1CC1 ZINC001144298398 804969622 /nfs/dbraw/zinc/96/96/22/804969622.db2.gz CWPAWXAPKGQSFO-UHFFFAOYSA-N 1 1 288.160 3.278 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2c(O)cc(O)cc2O)cc1C ZINC001144515900 804997491 /nfs/dbraw/zinc/99/74/91/804997491.db2.gz INAAPXPMFSLNPL-UHFFFAOYSA-N 1 1 287.359 3.052 20 10 CGCDMO C[N@H+](Cc1cc(Cl)c(C(C)(C)C)cc1O)CC1COC1 ZINC001248883629 805033058 /nfs/dbraw/zinc/03/30/58/805033058.db2.gz MMJLGZUTBIWXGO-UHFFFAOYSA-N 1 1 297.826 3.421 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@H]1Cc2ccc(OC)cc2C1 ZINC001168284826 807373024 /nfs/dbraw/zinc/37/30/24/807373024.db2.gz WKTBTAGIDJLFPI-KRWDZBQOSA-N 1 1 297.398 3.390 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@H](C)Cc1cccnc1 ZINC001258635283 807520049 /nfs/dbraw/zinc/52/00/49/807520049.db2.gz YSIQDYOWICYOER-CQSZACIVSA-N 1 1 270.376 3.240 20 10 CGCDMO C[N@H+]1CC[C@@H](c2ccc(NCc3ccc(O)c(O)c3)cc2)C1 ZINC001169996611 807736116 /nfs/dbraw/zinc/73/61/16/807736116.db2.gz CUEGIWPDLKCRTG-OAHLLOKOSA-N 1 1 298.386 3.129 20 10 CGCDMO CCC[N@@H+](C)CC(C)(C)NCc1ccc(OC)c(C)c1 ZINC001174818279 809169563 /nfs/dbraw/zinc/16/95/63/809169563.db2.gz ARZGPMBZILFOQN-UHFFFAOYSA-N 1 1 278.440 3.214 20 10 CGCDMO CCCN(C)CC(C)(C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001174818279 809169569 /nfs/dbraw/zinc/16/95/69/809169569.db2.gz ARZGPMBZILFOQN-UHFFFAOYSA-N 1 1 278.440 3.214 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](CCO)CC(C)(C)C)c(Cl)c1 ZINC001180007209 809967590 /nfs/dbraw/zinc/96/75/90/809967590.db2.gz RNHVDQMYMQJNQV-UHFFFAOYSA-N 1 1 285.815 3.194 20 10 CGCDMO Cc1cc(O)c(C[NH2+]Cc2c(O)cccc2F)c(Cl)c1 ZINC001183919275 810169712 /nfs/dbraw/zinc/16/97/12/810169712.db2.gz INZUELLNRQZAIM-UHFFFAOYSA-N 1 1 295.741 3.489 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@H](C)[C@H](C)C2)c1O ZINC001203586103 812401481 /nfs/dbraw/zinc/40/14/81/812401481.db2.gz YLXWDSGRWNNSAI-QWHCGFSZSA-N 1 1 263.381 3.269 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@H](c3ccncc3)C2)c1O ZINC001203609392 812405023 /nfs/dbraw/zinc/40/50/23/812405023.db2.gz QQJJSOQNUWKKEF-HNNXBMFYSA-N 1 1 298.386 3.175 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@H]2c2ccc(C)nc2)c1O ZINC001203599879 812405428 /nfs/dbraw/zinc/40/54/28/812405428.db2.gz MKYWTWFWCWLYLD-INIZCTEOSA-N 1 1 298.386 3.441 20 10 CGCDMO COc1ccc(C[N@H+]2CCC23CCCCC3)c(O)c1 ZINC001203621526 812409181 /nfs/dbraw/zinc/40/91/81/812409181.db2.gz WVPVSPRVHBGLBN-UHFFFAOYSA-N 1 1 261.365 3.309 20 10 CGCDMO COc1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c(O)c1 ZINC001203629948 812412684 /nfs/dbraw/zinc/41/26/84/812412684.db2.gz OEVTUGJOTKKNMU-QGZVFWFLSA-N 1 1 299.370 3.054 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001203651757 812414781 /nfs/dbraw/zinc/41/47/81/812414781.db2.gz UATVJYVAXSAOOP-ABAIWWIYSA-N 1 1 281.783 3.047 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1c1cnccn1 ZINC001203657300 812418626 /nfs/dbraw/zinc/41/86/26/812418626.db2.gz JDKQLMLMQDENEN-AWEZNQCLSA-N 1 1 289.766 3.173 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H]1c1cnccn1 ZINC001203657300 812418633 /nfs/dbraw/zinc/41/86/33/812418633.db2.gz JDKQLMLMQDENEN-AWEZNQCLSA-N 1 1 289.766 3.173 20 10 CGCDMO Oc1ccc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)cc1O ZINC001203880458 812478063 /nfs/dbraw/zinc/47/80/63/812478063.db2.gz SIHRUEROPIOMSU-CQSZACIVSA-N 1 1 287.334 3.226 20 10 CGCDMO Oc1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)cc1O ZINC001203874723 812478517 /nfs/dbraw/zinc/47/85/17/812478517.db2.gz CDOYFAUEPHURKZ-HNNXBMFYSA-N 1 1 269.344 3.087 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](F)CC2)cc1 ZINC001203930552 812494189 /nfs/dbraw/zinc/49/41/89/812494189.db2.gz YKSHYMGULIVWFG-AWEZNQCLSA-N 1 1 250.361 3.077 20 10 CGCDMO Cc1cnc2c(c1)C[N@@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203937161 812498064 /nfs/dbraw/zinc/49/80/64/812498064.db2.gz OBENEILNDVCXFO-UHFFFAOYSA-N 1 1 281.403 3.014 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H](O)C2)c2ccccc21 ZINC001204232773 812580387 /nfs/dbraw/zinc/58/03/87/812580387.db2.gz JGWYDYHJMANFEX-MRXNPFEDSA-N 1 1 298.430 3.253 20 10 CGCDMO Cc1ccccc1C[N@H+](C)Cc1ccc(O)cc1O ZINC001204275060 812594619 /nfs/dbraw/zinc/59/46/19/812594619.db2.gz MZRUMDZBOCTJKS-UHFFFAOYSA-N 1 1 257.333 3.038 20 10 CGCDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(O)cc1O ZINC001204281057 812596422 /nfs/dbraw/zinc/59/64/22/812596422.db2.gz OVEWWVGWWPXDJL-GFCCVEGCSA-N 1 1 269.344 3.045 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204320791 812611855 /nfs/dbraw/zinc/61/18/55/812611855.db2.gz AQSRXRHTXSXHIZ-GOSISDBHSA-N 1 1 288.435 3.288 20 10 CGCDMO O=C1CCC[C@@H]2C[N@@H+](Cc3ccc(N4CCCC4)cc3)C[C@@H]12 ZINC001204329336 812614539 /nfs/dbraw/zinc/61/45/39/812614539.db2.gz MQRTVHZDHJLQGV-SJLPKXTDSA-N 1 1 298.430 3.088 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1ccc3ccccc3n1)CC2 ZINC001204505512 812659548 /nfs/dbraw/zinc/65/95/48/812659548.db2.gz JEJNEKAOSOPHAJ-UHFFFAOYSA-N 1 1 290.366 3.499 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)CC[C@H]1C[NH3+] ZINC001205636003 813035949 /nfs/dbraw/zinc/03/59/49/813035949.db2.gz BQLPOSMDYXVFDE-ZBFHGGJFSA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)CC[C@H]1C[NH3+] ZINC001205636003 813035951 /nfs/dbraw/zinc/03/59/51/813035951.db2.gz BQLPOSMDYXVFDE-ZBFHGGJFSA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC001206318931 813287398 /nfs/dbraw/zinc/28/73/98/813287398.db2.gz VGFRMSKPFMUQJG-IBGZPJMESA-N 1 1 298.430 3.496 20 10 CGCDMO C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC001206318931 813287400 /nfs/dbraw/zinc/28/74/00/813287400.db2.gz VGFRMSKPFMUQJG-IBGZPJMESA-N 1 1 298.430 3.496 20 10 CGCDMO [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001206639585 813382224 /nfs/dbraw/zinc/38/22/24/813382224.db2.gz FINHCCKASAKQNS-AWEZNQCLSA-N 1 1 284.403 3.106 20 10 CGCDMO [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001206639585 813382232 /nfs/dbraw/zinc/38/22/32/813382232.db2.gz FINHCCKASAKQNS-AWEZNQCLSA-N 1 1 284.403 3.106 20 10 CGCDMO C[C@@H]1CC([NH2+]Cc2c(O)cccc2F)C[C@@H](C)C1 ZINC001207621815 813618366 /nfs/dbraw/zinc/61/83/66/813618366.db2.gz JZMZKSYCGSYGEU-QWRGUYRKSA-N 1 1 251.345 3.446 20 10 CGCDMO CCOc1cncc(-c2[nH+]ccc3c2ccn3C)c1 ZINC001242656227 823082584 /nfs/dbraw/zinc/08/25/84/823082584.db2.gz UJNICXDVQXFEAL-UHFFFAOYSA-N 1 1 253.305 3.034 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(CN(C)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001209518863 814073193 /nfs/dbraw/zinc/07/31/93/814073193.db2.gz VGCSFIKNYCEIRS-LJQANCHMSA-N 1 1 297.446 3.230 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+](C)[C@@H]2CCN(C)C2)cc1 ZINC001209518863 814073202 /nfs/dbraw/zinc/07/32/02/814073202.db2.gz VGCSFIKNYCEIRS-LJQANCHMSA-N 1 1 297.446 3.230 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+](C)[C@@H]2CCN(C)C2)cc1 ZINC001209518863 814073208 /nfs/dbraw/zinc/07/32/08/814073208.db2.gz VGCSFIKNYCEIRS-LJQANCHMSA-N 1 1 297.446 3.230 20 10 CGCDMO Cc1cc(C)c(C[N@@H+]2CCNC[C@@H]2c2ccccc2)c(O)c1 ZINC001210225975 814353415 /nfs/dbraw/zinc/35/34/15/814353415.db2.gz AHDCYNWDHCMFEC-GOSISDBHSA-N 1 1 296.414 3.156 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCNC[C@@H]2c2ccccc2)c(O)c1 ZINC001210225975 814353424 /nfs/dbraw/zinc/35/34/24/814353424.db2.gz AHDCYNWDHCMFEC-GOSISDBHSA-N 1 1 296.414 3.156 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@@H]2c2ccccc2)c(O)cc1O ZINC001231637866 818144509 /nfs/dbraw/zinc/14/45/09/818144509.db2.gz TUSPYDPEWAWGBJ-CQSZACIVSA-N 1 1 285.343 3.053 20 10 CGCDMO COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1c(C)cc(C)cc1O)C2 ZINC001231844067 818186422 /nfs/dbraw/zinc/18/64/22/818186422.db2.gz DPETVIPOQBRLLB-QAPCUYQASA-N 1 1 289.419 3.258 20 10 CGCDMO Cc1cc(C)c(C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C)c(O)c1 ZINC001231847942 818187020 /nfs/dbraw/zinc/18/70/20/818187020.db2.gz GCLMHHHFJZUOBJ-ZDUSSCGKSA-N 1 1 293.407 3.171 20 10 CGCDMO Cc1cc(C)c(C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C)c(O)c1 ZINC001231847942 818187025 /nfs/dbraw/zinc/18/70/25/818187025.db2.gz GCLMHHHFJZUOBJ-ZDUSSCGKSA-N 1 1 293.407 3.171 20 10 CGCDMO CC[N@@H+](Cc1ccccn1)Cc1c(C)cc(C)cc1O ZINC001231846371 818187738 /nfs/dbraw/zinc/18/77/38/818187738.db2.gz KHQARMNGVDNHHI-UHFFFAOYSA-N 1 1 270.376 3.426 20 10 CGCDMO Oc1c(C[N@H+]2CC[C@@]3(CCCO3)C2)ccc2ccccc21 ZINC001231879601 818199202 /nfs/dbraw/zinc/19/92/02/818199202.db2.gz JSSFFPPLKDXLTB-SFHVURJKSA-N 1 1 283.371 3.300 20 10 CGCDMO Oc1c(C[N@H+]2CCC[C@]3(CCO3)C2)ccc2ccccc21 ZINC001231881298 818199599 /nfs/dbraw/zinc/19/95/99/818199599.db2.gz UURKVGVLMXYJHE-SFHVURJKSA-N 1 1 283.371 3.300 20 10 CGCDMO O=C1CC[N@@H+](Cc2ccc3ccccc3c2O)CC[C@@H]1F ZINC001231879496 818199751 /nfs/dbraw/zinc/19/97/51/818199751.db2.gz FNYDZJFDEUPHHV-HNNXBMFYSA-N 1 1 287.334 3.048 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001231909791 818208861 /nfs/dbraw/zinc/20/88/61/818208861.db2.gz IZOBADUOQSICKT-BXUZGUMPSA-N 1 1 281.783 3.047 20 10 CGCDMO C[C@@]1(CO)CCC[N@@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC001231909498 818209340 /nfs/dbraw/zinc/20/93/40/818209340.db2.gz FVQPFPUXLUQBEP-OAHLLOKOSA-N 1 1 283.799 3.030 20 10 CGCDMO C[N@H+](Cc1cc(Cl)c(O)cc1O)CC1CC(F)(F)C1 ZINC001232262226 818295288 /nfs/dbraw/zinc/29/52/88/818295288.db2.gz CEDOVRBRMWFIQH-UHFFFAOYSA-N 1 1 291.725 3.228 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cn1 ZINC001232353676 818327934 /nfs/dbraw/zinc/32/79/34/818327934.db2.gz DNGBJYBBLMXZGJ-UHFFFAOYSA-N 1 1 299.418 3.097 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)CC[C@H]1O ZINC001233284155 818565601 /nfs/dbraw/zinc/56/56/01/818565601.db2.gz KIQWARPFKHRMQE-CZUORRHYSA-N 1 1 291.435 3.283 20 10 CGCDMO COC[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233284260 818568264 /nfs/dbraw/zinc/56/82/64/818568264.db2.gz NYHNVENSEZAPCP-CYBMUJFWSA-N 1 1 277.408 3.158 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)c1 ZINC001233287121 818569600 /nfs/dbraw/zinc/56/96/00/818569600.db2.gz XKRWCLUIXVQRBY-GUYCJALGSA-N 1 1 289.419 3.301 20 10 CGCDMO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233451967 818623468 /nfs/dbraw/zinc/62/34/68/818623468.db2.gz GFSAJPFBQAWXOB-LDYMZIIASA-N 1 1 277.261 3.343 20 10 CGCDMO CC(C)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1O ZINC001233726360 818691750 /nfs/dbraw/zinc/69/17/50/818691750.db2.gz CJFYMKKTLCKKIP-UHFFFAOYSA-N 1 1 263.259 3.131 20 10 CGCDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@H]3C)c2c1 ZINC001234525862 818874869 /nfs/dbraw/zinc/87/48/69/818874869.db2.gz LWNCVPTXIIJVHN-LLVKDONJSA-N 1 1 257.333 3.148 20 10 CGCDMO C[C@@]1(CO)CC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234985986 818970206 /nfs/dbraw/zinc/97/02/06/818970206.db2.gz AIRMZNAUXGBLIM-LJQANCHMSA-N 1 1 297.398 3.264 20 10 CGCDMO OC[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234993566 818972876 /nfs/dbraw/zinc/97/28/76/818972876.db2.gz ZBTZXBIGLYNAFI-HNNXBMFYSA-N 1 1 297.398 3.264 20 10 CGCDMO Oc1c(C[N@H+]2CCOC3(CC3)C2)cccc1-c1ccccc1 ZINC001234998881 818973941 /nfs/dbraw/zinc/97/39/41/818973941.db2.gz PBHPOHHSSLTACT-UHFFFAOYSA-N 1 1 295.382 3.424 20 10 CGCDMO CC1(C)CNCC[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001235825205 819176669 /nfs/dbraw/zinc/17/66/69/819176669.db2.gz AEJCKXJGIDRRSD-UHFFFAOYSA-N 1 1 296.414 3.243 20 10 CGCDMO CC1(C)CNCC[N@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001235825205 819176674 /nfs/dbraw/zinc/17/66/74/819176674.db2.gz AEJCKXJGIDRRSD-UHFFFAOYSA-N 1 1 296.414 3.243 20 10 CGCDMO CCC[C@@H]1CNCC[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001236133266 819335849 /nfs/dbraw/zinc/33/58/49/819335849.db2.gz SXRPQLIRAWHESK-MRXNPFEDSA-N 1 1 290.451 3.264 20 10 CGCDMO CCC[C@@H]1CNCC[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001236133266 819335855 /nfs/dbraw/zinc/33/58/55/819335855.db2.gz SXRPQLIRAWHESK-MRXNPFEDSA-N 1 1 290.451 3.264 20 10 CGCDMO CCC[C@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2O)CCN1 ZINC001236178863 819357255 /nfs/dbraw/zinc/35/72/55/819357255.db2.gz LYVTVTOMYMISRQ-INIZCTEOSA-N 1 1 290.451 3.264 20 10 CGCDMO CCC[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2O)CCN1 ZINC001236178863 819357262 /nfs/dbraw/zinc/35/72/62/819357262.db2.gz LYVTVTOMYMISRQ-INIZCTEOSA-N 1 1 290.451 3.264 20 10 CGCDMO CCc1ccc(C[N@H+](CC)CC(=O)OC(C)(C)C)c(O)c1 ZINC001236795760 819596360 /nfs/dbraw/zinc/59/63/60/819596360.db2.gz ZPZRBKGCKJHOJH-UHFFFAOYSA-N 1 1 293.407 3.118 20 10 CGCDMO CCc1ccc(C[N@@H+](CC)CC(=O)OC(C)(C)C)c(O)c1 ZINC001236795760 819596367 /nfs/dbraw/zinc/59/63/67/819596367.db2.gz ZPZRBKGCKJHOJH-UHFFFAOYSA-N 1 1 293.407 3.118 20 10 CGCDMO OC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(Cl)cc1O ZINC001236792544 819596556 /nfs/dbraw/zinc/59/65/56/819596556.db2.gz DYODDZWWDVJRGV-SNVBAGLBSA-N 1 1 290.190 3.046 20 10 CGCDMO OC[C@H]1CCCC[N@H+]1Cc1cc(Cl)c(Cl)cc1O ZINC001236792544 819596561 /nfs/dbraw/zinc/59/65/61/819596561.db2.gz DYODDZWWDVJRGV-SNVBAGLBSA-N 1 1 290.190 3.046 20 10 CGCDMO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1cc(Cl)c(Cl)cc1O ZINC001236798110 819599201 /nfs/dbraw/zinc/59/92/01/819599201.db2.gz GSPICCIJOZJITJ-WCBMZHEXSA-N 1 1 290.190 3.044 20 10 CGCDMO C[C@H]1C[C@H](O)CC[N@H+]1Cc1cc(Cl)c(Cl)cc1O ZINC001236798110 819599204 /nfs/dbraw/zinc/59/92/04/819599204.db2.gz GSPICCIJOZJITJ-WCBMZHEXSA-N 1 1 290.190 3.044 20 10 CGCDMO COc1ccc(C[N@H+](C)C2CC(F)(F)C2)c(O)c1Cl ZINC001236800706 819600800 /nfs/dbraw/zinc/60/08/00/819600800.db2.gz DOOJVBXTCOEYJV-UHFFFAOYSA-N 1 1 291.725 3.284 20 10 CGCDMO COc1ccc(C[N@@H+](C)C2CC(F)(F)C2)c(O)c1Cl ZINC001236800706 819600806 /nfs/dbraw/zinc/60/08/06/819600806.db2.gz DOOJVBXTCOEYJV-UHFFFAOYSA-N 1 1 291.725 3.284 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CC[C@H](c3ccncc3)C2)c(O)c1 ZINC001236812858 819604937 /nfs/dbraw/zinc/60/49/37/819604937.db2.gz FXDVOLFKRQDBHW-HNNXBMFYSA-N 1 1 298.386 3.094 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCCC(F)(F)CC2)c(O)c1 ZINC001236818931 819606226 /nfs/dbraw/zinc/60/62/26/819606226.db2.gz QMASSBNOLDMYOU-UHFFFAOYSA-N 1 1 285.334 3.330 20 10 CGCDMO CCOc1cncc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC001236840091 819616873 /nfs/dbraw/zinc/61/68/73/819616873.db2.gz FDGKKHDYLICZJG-UHFFFAOYSA-N 1 1 299.418 3.178 20 10 CGCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1Cl)CC1CC1 ZINC001236929975 819637917 /nfs/dbraw/zinc/63/79/17/819637917.db2.gz URMAWULJWFKRPH-UHFFFAOYSA-N 1 1 294.826 3.018 20 10 CGCDMO CC[N@H+](CCN1CCCC1)Cc1ccc(C(C)C)cc1O ZINC001237053285 819651652 /nfs/dbraw/zinc/65/16/52/819651652.db2.gz IFTLTJUJHZHXQZ-UHFFFAOYSA-N 1 1 290.451 3.433 20 10 CGCDMO CC[N@@H+](CCN1CCCC1)Cc1ccc(C(C)C)cc1O ZINC001237053285 819651658 /nfs/dbraw/zinc/65/16/58/819651658.db2.gz IFTLTJUJHZHXQZ-UHFFFAOYSA-N 1 1 290.451 3.433 20 10 CGCDMO CC(C)[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237051226 819652099 /nfs/dbraw/zinc/65/20/99/819652099.db2.gz IKOPCTCFGSSHJH-UHFFFAOYSA-N 1 1 277.286 3.174 20 10 CGCDMO CC(C)c1ccc(C[N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c(O)c1 ZINC001237050358 819652205 /nfs/dbraw/zinc/65/22/05/819652205.db2.gz AONBNDFSGJBCJA-ZBFHGGJFSA-N 1 1 287.403 3.317 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCCC3(COC3)C2)c(O)c1 ZINC001237052007 819652974 /nfs/dbraw/zinc/65/29/74/819652974.db2.gz QDDHCGULGITLGW-UHFFFAOYSA-N 1 1 275.392 3.128 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCOCC2(C)C)c(O)c1 ZINC001237054282 819653856 /nfs/dbraw/zinc/65/38/56/819653856.db2.gz UONKLPMIKMGYKT-UHFFFAOYSA-N 1 1 263.381 3.126 20 10 CGCDMO Oc1ccc(Cl)c(Cl)c1C[N@H+]1CCC[C@H](O)CC1 ZINC001237077401 819660029 /nfs/dbraw/zinc/66/00/29/819660029.db2.gz HFJGTHDWGTZQJK-VIFPVBQESA-N 1 1 290.190 3.046 20 10 CGCDMO Oc1ccc(Cl)c(Cl)c1C[N@@H+]1CCC[C@H](O)CC1 ZINC001237077401 819660036 /nfs/dbraw/zinc/66/00/36/819660036.db2.gz HFJGTHDWGTZQJK-VIFPVBQESA-N 1 1 290.190 3.046 20 10 CGCDMO COCC[N@@H+](Cc1c(O)ccc(F)c1Cl)C(C)C ZINC001237124038 819672997 /nfs/dbraw/zinc/67/29/97/819672997.db2.gz ITHXYBWUFUQWLS-UHFFFAOYSA-N 1 1 275.751 3.042 20 10 CGCDMO CCCCCN1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC001237489565 819762227 /nfs/dbraw/zinc/76/22/27/819762227.db2.gz ISTOGQWBLWBYDD-UHFFFAOYSA-N 1 1 276.424 3.008 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC3(CC3)C2)cc1Br ZINC001237680792 819806846 /nfs/dbraw/zinc/80/68/46/819806846.db2.gz MBMRAPXQXXNTSO-UHFFFAOYSA-N 1 1 296.208 3.449 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1cnc(C3CC3)s1)CC2 ZINC001237791483 819841852 /nfs/dbraw/zinc/84/18/52/819841852.db2.gz MWIBNJOQCCMLDX-UHFFFAOYSA-N 1 1 286.400 3.284 20 10 CGCDMO CC1CC[NH+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237947461 819893903 /nfs/dbraw/zinc/89/39/03/819893903.db2.gz PVRFKQCAJPWEJK-UHFFFAOYSA-N 1 1 257.736 3.417 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c1O ZINC001238064493 819919897 /nfs/dbraw/zinc/91/98/97/819919897.db2.gz PMEQIKLKUOFNJK-QWHCGFSZSA-N 1 1 263.356 3.462 20 10 CGCDMO COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1cc(F)cc(C)c1O)C2 ZINC001238061513 819920259 /nfs/dbraw/zinc/92/02/59/819920259.db2.gz NTOPYXACJWTENA-PBHICJAKSA-N 1 1 293.382 3.088 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CC[C@H](c3ccccn3)C2)c1O ZINC001238063533 819921256 /nfs/dbraw/zinc/92/12/56/819921256.db2.gz YBVIPBZAUCSVNF-ZDUSSCGKSA-N 1 1 286.350 3.224 20 10 CGCDMO CCC[N@@H+](Cc1ccc(N2CCCC2)cc1)CC(C)(C)O ZINC001341567604 936442891 /nfs/dbraw/zinc/44/28/91/936442891.db2.gz KYGXJSUYWSSOLE-UHFFFAOYSA-N 1 1 290.451 3.270 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@@H+](CC(C)(C)O)C2CC2)c1 ZINC001308712593 928538609 /nfs/dbraw/zinc/53/86/09/928538609.db2.gz ZPITUQRPGRQAJL-UHFFFAOYSA-N 1 1 277.408 3.251 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)c1O ZINC001140178767 931956878 /nfs/dbraw/zinc/95/68/78/931956878.db2.gz WYPMWFJCDZWMJU-YPMHNXCESA-N 1 1 267.319 3.096 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2C[C@@H](C)C[C@H]2CF)c1O ZINC001140178381 931957010 /nfs/dbraw/zinc/95/70/10/931957010.db2.gz JYXHJUGDTCPRTC-GWCFXTLKSA-N 1 1 251.345 3.189 20 10 CGCDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001461858494 937601719 /nfs/dbraw/zinc/60/17/19/937601719.db2.gz GXGWPPZKTHVHCR-MNOVXSKESA-N 1 1 268.351 3.261 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]Cc1ccc2scnc2c1 ZINC001308948315 933210365 /nfs/dbraw/zinc/21/03/65/933210365.db2.gz MXFUSMXHWPLTAK-UHFFFAOYSA-N 1 1 288.347 3.431 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)C2CCC(CO)CC2)cc1 ZINC001321007623 934133910 /nfs/dbraw/zinc/13/39/10/934133910.db2.gz JKIQHSNZEYFCFB-UHFFFAOYSA-N 1 1 290.451 3.126 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1C ZINC001325127499 934889110 /nfs/dbraw/zinc/88/91/10/934889110.db2.gz HSFHFWRGCRRDFX-QAPCUYQASA-N 1 1 288.435 3.144 20 10 CGCDMO CCOc1ncccc1C[NH2+][C@H](C)c1c(O)cccc1F ZINC001331255225 935362788 /nfs/dbraw/zinc/36/27/88/935362788.db2.gz UZCPSBRCDOOQMC-LLVKDONJSA-N 1 1 290.338 3.176 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)c1c(O)cccc1F ZINC001332365918 935462819 /nfs/dbraw/zinc/46/28/19/935462819.db2.gz SEJHMWAMZYCLRO-GARJFASQSA-N 1 1 255.308 3.463 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]C1CCC2(CCCO2)CC1 ZINC001336854040 936223093 /nfs/dbraw/zinc/22/30/93/936223093.db2.gz LJHFYOFWQGTEAO-UHFFFAOYSA-N 1 1 279.355 3.113 20 10 CGCDMO CS[C@H]1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2O)C1 ZINC001337395960 936256132 /nfs/dbraw/zinc/25/61/32/936256132.db2.gz MSKXRFHEGWUPIY-STQMWFEESA-N 1 1 269.385 3.247 20 10 CGCDMO CN(C)c1ccc(CNc2ccc3c(c2)[nH+]cn3C)cc1F ZINC001474050457 937838021 /nfs/dbraw/zinc/83/80/21/937838021.db2.gz DSKGUSVJYMZQIT-UHFFFAOYSA-N 1 1 298.365 3.391 20 10 CGCDMO CCC[N@@H+](CC)C[C@@H](C)NCc1ccc2c(c1)CCCO2 ZINC001474164090 937842616 /nfs/dbraw/zinc/84/26/16/937842616.db2.gz KEGUZDQWJDFFQF-OAHLLOKOSA-N 1 1 290.451 3.222 20 10 CGCDMO CCCN(CC)C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001474164090 937842618 /nfs/dbraw/zinc/84/26/18/937842618.db2.gz KEGUZDQWJDFFQF-OAHLLOKOSA-N 1 1 290.451 3.222 20 10 CGCDMO CC1(C)CCC[C@](CO)([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC001474212488 937844468 /nfs/dbraw/zinc/84/44/68/937844468.db2.gz FEUATBSOBXODMC-INIZCTEOSA-N 1 1 299.361 3.091 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC001474333936 937852256 /nfs/dbraw/zinc/85/22/56/937852256.db2.gz GPYAGXFKOOOAFV-QWHCGFSZSA-N 1 1 263.381 3.125 20 10 CGCDMO Oc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC001474746250 937878337 /nfs/dbraw/zinc/87/83/37/937878337.db2.gz QAHRQTPKRDCYRC-JIMOISOXSA-N 1 1 251.757 3.324 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2CCC=C(Cl)C2)cc1 ZINC001559958429 938239874 /nfs/dbraw/zinc/23/98/74/938239874.db2.gz WKEUALKQQAEVFZ-UHFFFAOYSA-N 1 1 250.773 3.081 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC=C(Cl)C2)cc1 ZINC001559958429 938239875 /nfs/dbraw/zinc/23/98/75/938239875.db2.gz WKEUALKQQAEVFZ-UHFFFAOYSA-N 1 1 250.773 3.081 20 10 CGCDMO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1c(O)cc(C)cc1Cl ZINC001560726954 938272748 /nfs/dbraw/zinc/27/27/48/938272748.db2.gz LPEKQDFNNBOCLO-NEPJUHHUSA-N 1 1 283.799 3.353 20 10 CGCDMO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1c(O)cc(C)cc1Cl ZINC001560726954 938272749 /nfs/dbraw/zinc/27/27/49/938272749.db2.gz LPEKQDFNNBOCLO-NEPJUHHUSA-N 1 1 283.799 3.353 20 10 CGCDMO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC001560802537 938276903 /nfs/dbraw/zinc/27/69/03/938276903.db2.gz XJFVYGMWGQFBTG-MRXNPFEDSA-N 1 1 299.361 3.043 20 10 CGCDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC001560802537 938276904 /nfs/dbraw/zinc/27/69/04/938276904.db2.gz XJFVYGMWGQFBTG-MRXNPFEDSA-N 1 1 299.361 3.043 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)c(F)c1)Cc1ccccn1 ZINC000124800393 370926909 /nfs/dbraw/zinc/92/69/09/370926909.db2.gz GULNJZWPSWJCLZ-UHFFFAOYSA-N 1 1 287.382 3.309 20 10 CGCDMO Oc1ccccc1C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000072952724 369846192 /nfs/dbraw/zinc/84/61/92/369846192.db2.gz WBVQIYFHVYVXIU-INIZCTEOSA-N 1 1 287.359 3.166 20 10 CGCDMO COc1cccc(C[N@H+]2CCCC[C@@H](SC)C2)c1O ZINC000092064189 370091302 /nfs/dbraw/zinc/09/13/02/370091302.db2.gz AHHUIBYBSHBBKK-CYBMUJFWSA-N 1 1 281.421 3.118 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)c1 ZINC000092729736 370099158 /nfs/dbraw/zinc/09/91/58/370099158.db2.gz IMKOBUZDQSSLDJ-AWEZNQCLSA-N 1 1 271.364 3.151 20 10 CGCDMO CN(C)c1ccc(C[NH2+]C(C)(C)c2nccs2)cc1 ZINC000116380441 370558215 /nfs/dbraw/zinc/55/82/15/370558215.db2.gz VQFGQEYOXBYXMZ-UHFFFAOYSA-N 1 1 275.421 3.234 20 10 CGCDMO CCc1nc(C)c(C[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC000291773654 372174021 /nfs/dbraw/zinc/17/40/21/372174021.db2.gz NYUFGHMFRINAEU-UHFFFAOYSA-N 1 1 274.364 3.152 20 10 CGCDMO CC1(C)C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000293562890 372411136 /nfs/dbraw/zinc/41/11/36/372411136.db2.gz IFGDOEDIVCWALX-JTQLQIEISA-N 1 1 287.762 3.232 20 10 CGCDMO Oc1ccc(F)cc1CNc1cccc(C2CC2)[nH+]1 ZINC000293973756 372542780 /nfs/dbraw/zinc/54/27/80/372542780.db2.gz QVCNKMKWXIZCJQ-UHFFFAOYSA-N 1 1 258.296 3.416 20 10 CGCDMO CC[C@H](C)[C@H](C[NH2+][C@H](C)c1ccc(F)cc1O)OC ZINC000294254213 372628170 /nfs/dbraw/zinc/62/81/70/372628170.db2.gz QEMDVKIAZKVHLT-RWSFTLGLSA-N 1 1 269.360 3.243 20 10 CGCDMO CS[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294966817 372682871 /nfs/dbraw/zinc/68/28/71/372682871.db2.gz FJIODCBKDUNSQL-VIFPVBQESA-N 1 1 275.776 3.122 20 10 CGCDMO CS[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294966817 372682877 /nfs/dbraw/zinc/68/28/77/372682877.db2.gz FJIODCBKDUNSQL-VIFPVBQESA-N 1 1 275.776 3.122 20 10 CGCDMO Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2O)c1C ZINC000171926280 372855025 /nfs/dbraw/zinc/85/50/25/372855025.db2.gz XUOXLPQWANXAIP-UHFFFAOYSA-N 1 1 298.386 3.080 20 10 CGCDMO Cc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2O)c1C ZINC000171926280 372855036 /nfs/dbraw/zinc/85/50/36/372855036.db2.gz XUOXLPQWANXAIP-UHFFFAOYSA-N 1 1 298.386 3.080 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CCOC1(C)C)c1ccc(F)cc1O ZINC000296384278 373114144 /nfs/dbraw/zinc/11/41/44/373114144.db2.gz JTDOWPGSXYJEEW-JSGCOSHPSA-N 1 1 267.344 3.140 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](Cc2ccncc2)C2CC2)cc1 ZINC000172979147 373073569 /nfs/dbraw/zinc/07/35/69/373073569.db2.gz GHCJFDSESUCJPI-UHFFFAOYSA-N 1 1 281.403 3.312 20 10 CGCDMO COc1ccccc1C[N@@H+](C)Cc1cc(C)ccc1O ZINC000179589312 373890675 /nfs/dbraw/zinc/89/06/75/373890675.db2.gz QQVIDBATEJNFQW-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cccc(C)c2O)CCS1 ZINC000180312424 373988827 /nfs/dbraw/zinc/98/88/27/373988827.db2.gz FSHYKDOLNTUWKS-CYBMUJFWSA-N 1 1 251.395 3.028 20 10 CGCDMO CCSCC[C@@H](C)[N@@H+](C)Cc1cc(OC)ccc1O ZINC000180670862 374032244 /nfs/dbraw/zinc/03/22/44/374032244.db2.gz CBLJRVQIRGAVND-GFCCVEGCSA-N 1 1 283.437 3.364 20 10 CGCDMO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000479435675 375151794 /nfs/dbraw/zinc/15/17/94/375151794.db2.gz GSFPXCNEXMQHBB-JJRVBVJISA-N 1 1 299.462 3.305 20 10 CGCDMO Cc1c2ccccc2n(C)c1CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000479435675 375151798 /nfs/dbraw/zinc/15/17/98/375151798.db2.gz GSFPXCNEXMQHBB-JJRVBVJISA-N 1 1 299.462 3.305 20 10 CGCDMO Cc1c2ccccc2n(C)c1CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000479435675 375151803 /nfs/dbraw/zinc/15/18/03/375151803.db2.gz GSFPXCNEXMQHBB-JJRVBVJISA-N 1 1 299.462 3.305 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CCN(C)C)cc1 ZINC000269033516 378176580 /nfs/dbraw/zinc/17/65/80/378176580.db2.gz SFAJEQIKNFQKQN-LSDHHAIUSA-N 1 1 277.456 3.134 20 10 CGCDMO Cc1cccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)c1O ZINC000271795511 378504194 /nfs/dbraw/zinc/50/41/94/378504194.db2.gz JYDORASCECEJLD-UHFFFAOYSA-N 1 1 271.282 3.395 20 10 CGCDMO CN(C)c1ccc(C[N@H+](C)Cc2cccc(F)c2O)cc1 ZINC000272311680 378609813 /nfs/dbraw/zinc/60/98/13/378609813.db2.gz RRAHPDHSTSFFND-UHFFFAOYSA-N 1 1 288.366 3.229 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc(F)c2O)cc1 ZINC000272311680 378609818 /nfs/dbraw/zinc/60/98/18/378609818.db2.gz RRAHPDHSTSFFND-UHFFFAOYSA-N 1 1 288.366 3.229 20 10 CGCDMO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000273612691 378756446 /nfs/dbraw/zinc/75/64/46/378756446.db2.gz WQSVXYJFEUJEKT-VZJVUDMVSA-N 1 1 267.344 3.140 20 10 CGCDMO CO[C@]1(C)CCC[N@@H+](Cc2cccc(C)c2O)CC1 ZINC000373467007 379283394 /nfs/dbraw/zinc/28/33/94/379283394.db2.gz QICJUGDEWNHTQI-MRXNPFEDSA-N 1 1 263.381 3.092 20 10 CGCDMO CC[C@@H]([NH2+]CCNc1ccccn1)c1ccc(F)cc1O ZINC000286153002 380166894 /nfs/dbraw/zinc/16/68/94/380166894.db2.gz PLMRFQGZKFYJRR-CQSZACIVSA-N 1 1 289.354 3.079 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H](OC)C(C)C)c1ccc(F)cc1O ZINC000286153160 380167709 /nfs/dbraw/zinc/16/77/09/380167709.db2.gz PNFWABLJFXZUDB-UKRRQHHQSA-N 1 1 269.360 3.243 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccc(F)cc1O ZINC000285522866 380150501 /nfs/dbraw/zinc/15/05/01/380150501.db2.gz BGMDPYPBMACWES-CLWVCHIJSA-N 1 1 293.382 3.386 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CCCCO1)c1ccc(F)cc1O ZINC000285518121 380151001 /nfs/dbraw/zinc/15/10/01/380151001.db2.gz BAYBGSMUGNCNBI-OCCSQVGLSA-N 1 1 267.344 3.141 20 10 CGCDMO CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(F)cc1[O-] ZINC000286370941 380203913 /nfs/dbraw/zinc/20/39/13/380203913.db2.gz ZOQBLQSDJBVVRU-OAHLLOKOSA-N 1 1 291.370 3.167 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000367689430 382353636 /nfs/dbraw/zinc/35/36/36/382353636.db2.gz VLLOSPLZSNRBAJ-HUUCEWRRSA-N 1 1 275.392 3.031 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC3(CCC3)C2)c1O ZINC000093455869 392237697 /nfs/dbraw/zinc/23/76/97/392237697.db2.gz VNVVQVNVEMBCMH-UHFFFAOYSA-N 1 1 261.365 3.167 20 10 CGCDMO CCC(CC)[N@@H+](CCOC)Cc1ccccc1O ZINC000133485120 392463375 /nfs/dbraw/zinc/46/33/75/392463375.db2.gz YSJXJLIHRGNIIJ-UHFFFAOYSA-N 1 1 251.370 3.029 20 10 CGCDMO Cc1nc(NCc2ccc(N(C)C)cc2)c(C)c(C)[nH+]1 ZINC000301434898 392590116 /nfs/dbraw/zinc/59/01/16/392590116.db2.gz IXUJGJOVKFRPRZ-UHFFFAOYSA-N 1 1 270.380 3.080 20 10 CGCDMO CCc1cc(NCc2ccc(N(C)C)c(F)c2)nc(C)[nH+]1 ZINC000302046640 392609023 /nfs/dbraw/zinc/60/90/23/392609023.db2.gz LERVFIBWJKXKSJ-UHFFFAOYSA-N 1 1 288.370 3.165 20 10 CGCDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000178778034 392685107 /nfs/dbraw/zinc/68/51/07/392685107.db2.gz FAUNMGRUMUFLEY-CQSZACIVSA-N 1 1 299.370 3.073 20 10 CGCDMO CCC[N@@H+](Cc1cccc(OC)n1)Cc1ccccc1O ZINC000172532258 392619810 /nfs/dbraw/zinc/61/98/10/392619810.db2.gz JCHBXRWJPLGYNU-UHFFFAOYSA-N 1 1 286.375 3.208 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000179580945 392703768 /nfs/dbraw/zinc/70/37/68/392703768.db2.gz DYUYFRXXCOGIFI-QGZVFWFLSA-N 1 1 282.387 3.469 20 10 CGCDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccccc3O)C2)cc1 ZINC000179566794 392704424 /nfs/dbraw/zinc/70/44/24/392704424.db2.gz CUFPYTCRXQGXCK-OAHLLOKOSA-N 1 1 283.371 3.390 20 10 CGCDMO CSCCCCC[NH2+]Cc1cccc(F)c1O ZINC000229606442 393022252 /nfs/dbraw/zinc/02/22/52/393022252.db2.gz IRRKMLNWPNQYPF-UHFFFAOYSA-N 1 1 257.374 3.154 20 10 CGCDMO Cc1cccc(C[N@H+]2CCc3ccsc3C2)c1O ZINC000271841735 393255879 /nfs/dbraw/zinc/25/58/79/393255879.db2.gz QFQDBHMTPSXEFX-UHFFFAOYSA-N 1 1 259.374 3.320 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1nccs1 ZINC000080265224 260179313 /nfs/dbraw/zinc/17/93/13/260179313.db2.gz OYWAKEKEPVNGBH-GFCCVEGCSA-N 1 1 287.432 3.376 20 10 CGCDMO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC000130162383 260393108 /nfs/dbraw/zinc/39/31/08/260393108.db2.gz PBWIGZJHVHVKLH-QILLFSRXSA-N 1 1 287.451 3.030 20 10 CGCDMO C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC000130162383 260393109 /nfs/dbraw/zinc/39/31/09/260393109.db2.gz PBWIGZJHVHVKLH-QILLFSRXSA-N 1 1 287.451 3.030 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2ccccc2)c1O ZINC000154461223 261091488 /nfs/dbraw/zinc/09/14/88/261091488.db2.gz AMSSAADPGKZGPN-UHFFFAOYSA-N 1 1 257.333 3.033 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)Cc2ccccc2)c1O ZINC000154467652 261091771 /nfs/dbraw/zinc/09/17/71/261091771.db2.gz NOXYEZMRIFQPIT-UHFFFAOYSA-N 1 1 271.360 3.423 20 10 CGCDMO COc1cc(C[N@@H+](C)Cc2cccc(C)c2O)ccc1O ZINC000179665064 261807202 /nfs/dbraw/zinc/80/72/02/261807202.db2.gz HIFWDYPUYYPDNS-UHFFFAOYSA-N 1 1 287.359 3.047 20 10 CGCDMO CC[C@H](C[NH2+][C@H](C)c1ccc(F)cc1O)N1CCCC1 ZINC000184990797 262036984 /nfs/dbraw/zinc/03/69/84/262036984.db2.gz RNSJATYOZASZHU-TZMCWYRMSA-N 1 1 280.387 3.056 20 10 CGCDMO Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185435223 262054033 /nfs/dbraw/zinc/05/40/33/262054033.db2.gz YXZOZLFNXISRIK-YVEFUNNKSA-N 1 1 289.350 3.224 20 10 CGCDMO Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(F)cc2O)c1 ZINC000186124528 262080982 /nfs/dbraw/zinc/08/09/82/262080982.db2.gz RYZIBIODJNVHAE-PXAZEXFGSA-N 1 1 289.350 3.224 20 10 CGCDMO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000281228441 263067374 /nfs/dbraw/zinc/06/73/74/263067374.db2.gz VNXDZURKQXBBBK-HNNXBMFYSA-N 1 1 285.391 3.336 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)CCCOC(C)C)cc1C ZINC000265897915 328167055 /nfs/dbraw/zinc/16/70/55/328167055.db2.gz TVWVRAJWTBRBOX-UHFFFAOYSA-N 1 1 265.397 3.256 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c1 ZINC000291532494 328264647 /nfs/dbraw/zinc/26/46/47/328264647.db2.gz KKGZQWTVCZWEFM-NSHDSACASA-N 1 1 255.308 3.178 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCOC[C@H]2c2ccccc2)c1 ZINC000378342676 329046642 /nfs/dbraw/zinc/04/66/42/329046642.db2.gz PZENLGCCXICGSS-KRWDZBQOSA-N 1 1 283.371 3.274 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@@H]1c1nccs1 ZINC000378492785 329052769 /nfs/dbraw/zinc/05/27/69/329052769.db2.gz HZCLRXVAGAAHCC-GFCCVEGCSA-N 1 1 260.362 3.186 20 10 CGCDMO CCC[C@]1(CO)CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000290181864 521319438 /nfs/dbraw/zinc/31/94/38/521319438.db2.gz NVHQNKCAXPHHQQ-HNNXBMFYSA-N 1 1 283.799 3.030 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)cc1 ZINC000126822789 520894419 /nfs/dbraw/zinc/89/44/19/520894419.db2.gz XRLUZXGBXIMTJE-JWTNVVGKSA-N 1 1 288.435 3.021 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC(F)(F)[C@H](C)C2)c1O ZINC000291562942 521338545 /nfs/dbraw/zinc/33/85/45/521338545.db2.gz NFUPCBSZVOSIJF-LLVKDONJSA-N 1 1 285.334 3.268 20 10 CGCDMO CCC[N@@H+](CCc1ccccn1)Cc1ccccc1O ZINC000103479573 521673099 /nfs/dbraw/zinc/67/30/99/521673099.db2.gz UEKKZIKRNLCDMJ-UHFFFAOYSA-N 1 1 270.376 3.242 20 10 CGCDMO CCC[N@@H+](Cc1cncc(OC)c1)Cc1ccccc1O ZINC000290275726 521691537 /nfs/dbraw/zinc/69/15/37/521691537.db2.gz LTXKAPUUOYAIEL-UHFFFAOYSA-N 1 1 286.375 3.208 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000271201106 522175203 /nfs/dbraw/zinc/17/52/03/522175203.db2.gz UKJKSOJCONXWMH-UHFFFAOYSA-N 1 1 288.435 3.145 20 10 CGCDMO CC[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccccc1O ZINC000363699235 522925405 /nfs/dbraw/zinc/92/54/05/522925405.db2.gz VYOGBZRGTKTPMN-ZIAGYGMSSA-N 1 1 271.364 3.234 20 10 CGCDMO C[C@@H](CN1CCCCC1)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000062747588 524607386 /nfs/dbraw/zinc/60/73/86/524607386.db2.gz XRHAAGIZRIFOOR-STQMWFEESA-N 1 1 280.387 3.056 20 10 CGCDMO C[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000062746790 524928167 /nfs/dbraw/zinc/92/81/67/524928167.db2.gz KQSRSPLLAXPHIK-QWRGUYRKSA-N 1 1 263.312 3.406 20 10 CGCDMO COc1cccc(C[N@H+]2CC(C)(C)[C@H]2C2CC2)c1O ZINC000291523994 525931839 /nfs/dbraw/zinc/93/18/39/525931839.db2.gz JKZNHWMVAHLEIG-OAHLLOKOSA-N 1 1 261.365 3.021 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1O ZINC000127381567 525939147 /nfs/dbraw/zinc/93/91/47/525939147.db2.gz PHKCMDJDUVHSFE-CQSZACIVSA-N 1 1 272.348 3.066 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000290363270 526328313 /nfs/dbraw/zinc/32/83/13/526328313.db2.gz AAVCIAWGKHNISM-GDBMZVCRSA-N 1 1 291.366 3.065 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000290363270 526328318 /nfs/dbraw/zinc/32/83/18/526328318.db2.gz AAVCIAWGKHNISM-GDBMZVCRSA-N 1 1 291.366 3.065 20 10 CGCDMO Cc1csc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000069168175 526413552 /nfs/dbraw/zinc/41/35/52/526413552.db2.gz GEFFTCDXYZRXAO-LLVKDONJSA-N 1 1 274.389 3.237 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1C1CC1)CCC2 ZINC000728562091 571812128 /nfs/dbraw/zinc/81/21/28/571812128.db2.gz FDTJPRCRMUFUAK-MRXNPFEDSA-N 1 1 257.377 3.255 20 10 CGCDMO C[N@H+](Cc1nc(-c2ccccc2)no1)Cc1ccccc1O ZINC000732202812 572451615 /nfs/dbraw/zinc/45/16/15/572451615.db2.gz FMFZRCZINNANKJ-UHFFFAOYSA-N 1 1 295.342 3.074 20 10 CGCDMO C[N@@H+](Cc1nc(-c2ccccc2)no1)Cc1ccccc1O ZINC000732202812 572451621 /nfs/dbraw/zinc/45/16/21/572451621.db2.gz FMFZRCZINNANKJ-UHFFFAOYSA-N 1 1 295.342 3.074 20 10 CGCDMO Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(O)c(C(C)(C)C)c1 ZINC000744436128 572752657 /nfs/dbraw/zinc/75/26/57/572752657.db2.gz NVPVTQFTEHXKAL-GASCZTMLSA-N 1 1 289.419 3.361 20 10 CGCDMO C[N@H+](Cc1cc2c(cc1O)CCCC2)CC1CCOCC1 ZINC000160528456 618085718 /nfs/dbraw/zinc/08/57/18/618085718.db2.gz TXIMCTKOAPXJCD-UHFFFAOYSA-N 1 1 289.419 3.129 20 10 CGCDMO CC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@@H](C)O1 ZINC000245567651 618166244 /nfs/dbraw/zinc/16/62/44/618166244.db2.gz UPPGBMOENXYHHQ-MFKMUULPSA-N 1 1 269.772 3.045 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@@H](C)O1 ZINC000245567651 618166250 /nfs/dbraw/zinc/16/62/50/618166250.db2.gz UPPGBMOENXYHHQ-MFKMUULPSA-N 1 1 269.772 3.045 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1O ZINC000248493086 618166937 /nfs/dbraw/zinc/16/69/37/618166937.db2.gz JUVNBZYJSDYGFY-LSCVPOLPSA-N 1 1 267.344 3.138 20 10 CGCDMO Cc1cc(F)ncc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000891397378 618186296 /nfs/dbraw/zinc/18/62/96/618186296.db2.gz NVYKNQVBNZHQQB-UHFFFAOYSA-N 1 1 287.382 3.227 20 10 CGCDMO COCCCC1(C[N@@H+](C)Cc2ccccc2O)CCC1 ZINC000891713736 618253547 /nfs/dbraw/zinc/25/35/47/618253547.db2.gz MEYDLTDGOUEOMA-UHFFFAOYSA-N 1 1 277.408 3.421 20 10 CGCDMO CCS[C@@H]1CCCC[N@@H+](Cc2ccccc2O)C1 ZINC000179574383 618796413 /nfs/dbraw/zinc/79/64/13/618796413.db2.gz SJVLKKRRVGPSRA-CQSZACIVSA-N 1 1 265.422 3.500 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](CCO)C2CCCCC2)cc1F ZINC000155130235 618832890 /nfs/dbraw/zinc/83/28/90/618832890.db2.gz ZLAULORCQPLKJL-UHFFFAOYSA-N 1 1 294.414 3.019 20 10 CGCDMO CC(=O)c1cc(F)cc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c1O ZINC000314262720 618963654 /nfs/dbraw/zinc/96/36/54/618963654.db2.gz HTVKRYYHQNKDDD-STQMWFEESA-N 1 1 291.366 3.356 20 10 CGCDMO CCOC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000313478128 619173571 /nfs/dbraw/zinc/17/35/71/619173571.db2.gz CATQAAGTBIGALS-AWEZNQCLSA-N 1 1 283.799 3.437 20 10 CGCDMO CCOC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000313478129 619173868 /nfs/dbraw/zinc/17/38/68/619173868.db2.gz CATQAAGTBIGALS-CQSZACIVSA-N 1 1 283.799 3.437 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)c1O ZINC000184683594 619219818 /nfs/dbraw/zinc/21/98/18/619219818.db2.gz SSVROCNIMBFCPL-JTQLQIEISA-N 1 1 299.798 3.054 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@H](C)OC(C)(C)C2)c1O ZINC000184683594 619219821 /nfs/dbraw/zinc/21/98/21/619219821.db2.gz SSVROCNIMBFCPL-JTQLQIEISA-N 1 1 299.798 3.054 20 10 CGCDMO CC(C)[C@H](CN[C@H](C)c1cc(F)ccc1O)[NH+]1CCCC1 ZINC000094616994 619285659 /nfs/dbraw/zinc/28/56/59/619285659.db2.gz IBENWGNNOZDNBN-CJNGLKHVSA-N 1 1 294.414 3.302 20 10 CGCDMO C[N@@H+](CCc1cccs1)Cc1cc(F)cc(F)c1[O-] ZINC000894057712 619361769 /nfs/dbraw/zinc/36/17/69/619361769.db2.gz FLUALQQDCXCXBL-UHFFFAOYSA-N 1 1 283.343 3.406 20 10 CGCDMO COCC[N@H+](Cc1cc(C)cc(C)c1O)CC(C)C ZINC000163975170 619454059 /nfs/dbraw/zinc/45/40/59/619454059.db2.gz GLUBGZPYBYRGGC-UHFFFAOYSA-N 1 1 265.397 3.113 20 10 CGCDMO COc1ccc(C[N@H+]2CC(C)(C)[C@@H]2C(C)C)c(O)c1OC ZINC000894607316 619586048 /nfs/dbraw/zinc/58/60/48/619586048.db2.gz YGUZKJRUQFHOLA-INIZCTEOSA-N 1 1 293.407 3.276 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCCc3occc3C2)c1O ZINC000894788021 619636895 /nfs/dbraw/zinc/63/68/95/619636895.db2.gz UZJABHHIYLKGLR-UHFFFAOYSA-N 1 1 287.359 3.251 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)Cc2occc2C)c1O ZINC000894845542 619650488 /nfs/dbraw/zinc/65/04/88/619650488.db2.gz CDTURZANUGBGGO-UHFFFAOYSA-N 1 1 275.348 3.243 20 10 CGCDMO CSC[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894852396 619652247 /nfs/dbraw/zinc/65/22/47/619652247.db2.gz PPXFFXZMHGGCLQ-JTQLQIEISA-N 1 1 287.375 3.245 20 10 CGCDMO CSC[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894852396 619652248 /nfs/dbraw/zinc/65/22/48/619652248.db2.gz PPXFFXZMHGGCLQ-JTQLQIEISA-N 1 1 287.375 3.245 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000793231090 619709073 /nfs/dbraw/zinc/70/90/73/619709073.db2.gz KSQCIWOKXCKOEH-BXKDBHETSA-N 1 1 289.297 3.174 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)c1O ZINC000895192743 619775822 /nfs/dbraw/zinc/77/58/22/619775822.db2.gz KYNMLWLCTKXVFQ-JSGCOSHPSA-N 1 1 261.365 3.084 20 10 CGCDMO COc1cc(C)cc(C[NH2+][C@@H](C)c2cscn2)c1O ZINC000895253438 619791432 /nfs/dbraw/zinc/79/14/32/619791432.db2.gz FSFDCGARFHTIGQ-JTQLQIEISA-N 1 1 278.377 3.017 20 10 CGCDMO COc1cc(C)cc(C[N@@H+]2Cc3cccc(O)c3C2)c1OC ZINC000895449677 619831075 /nfs/dbraw/zinc/83/10/75/619831075.db2.gz NMDZUKKBUJDXEJ-UHFFFAOYSA-N 1 1 299.370 3.234 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2Cc3cccc(O)c3C2)c1OC ZINC000895449677 619831077 /nfs/dbraw/zinc/83/10/77/619831077.db2.gz NMDZUKKBUJDXEJ-UHFFFAOYSA-N 1 1 299.370 3.234 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1ccns1 ZINC000895452537 619832483 /nfs/dbraw/zinc/83/24/83/619832483.db2.gz OJEIIEIKGYULJW-UHFFFAOYSA-N 1 1 275.421 3.150 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1ccns1 ZINC000895452537 619832487 /nfs/dbraw/zinc/83/24/87/619832487.db2.gz OJEIIEIKGYULJW-UHFFFAOYSA-N 1 1 275.421 3.150 20 10 CGCDMO Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185544977 625374734 /nfs/dbraw/zinc/37/47/34/625374734.db2.gz XXTPGGNFNGGZQB-GFCCVEGCSA-N 1 1 291.370 3.167 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000895585574 619855249 /nfs/dbraw/zinc/85/52/49/619855249.db2.gz ZCHUEHOPKJYVMD-SECBINFHSA-N 1 1 296.342 3.116 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000895585574 619855254 /nfs/dbraw/zinc/85/52/54/619855254.db2.gz ZCHUEHOPKJYVMD-SECBINFHSA-N 1 1 296.342 3.116 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](c3nccs3)C2)c1 ZINC000895581597 619856153 /nfs/dbraw/zinc/85/61/53/619856153.db2.gz CDJHIXPGCPLIOG-GFCCVEGCSA-N 1 1 274.389 3.147 20 10 CGCDMO C[C@@H](CCc1ccco1)[NH2+]Cc1c(O)cccc1F ZINC000896637671 620041560 /nfs/dbraw/zinc/04/15/60/620041560.db2.gz PYAVDCDTVIHVHT-NSHDSACASA-N 1 1 263.312 3.235 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000897387018 620279961 /nfs/dbraw/zinc/27/99/61/620279961.db2.gz ALFDRLIIBMHWJU-CQSZACIVSA-N 1 1 299.773 3.376 20 10 CGCDMO Cc1ccc([C@@H](C)NCc2cc(N(C)C)cc[nH+]2)c(O)c1 ZINC000903199092 621624063 /nfs/dbraw/zinc/62/40/63/621624063.db2.gz TUSYLSZRGHCNIJ-CYBMUJFWSA-N 1 1 285.391 3.012 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)C(C)(C)OC)c1ccc(F)cc1O ZINC000903332973 621706968 /nfs/dbraw/zinc/70/69/68/621706968.db2.gz WRHGBNWULQXQSG-GWCFXTLKSA-N 1 1 269.360 3.386 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ccnn2C)cc1C ZINC000905742619 622104022 /nfs/dbraw/zinc/10/40/22/622104022.db2.gz SKIDQJOQEPTJKJ-MRXNPFEDSA-N 1 1 285.391 3.080 20 10 CGCDMO C[C@@H]1CCN(Cc2cc(Cl)c(F)cc2O)C[C@H]1F ZINC000816564987 625596166 /nfs/dbraw/zinc/59/61/66/625596166.db2.gz XMLQHTKSZGEGQT-PRHODGIISA-N 1 1 275.726 3.365 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](C(C)(C)C)C2)c1 ZINC000163861715 622806049 /nfs/dbraw/zinc/80/60/49/622806049.db2.gz OOHNXUGNXVOGTF-ZDUSSCGKSA-N 1 1 263.381 3.269 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)CCc2cccs2)c1O ZINC000164421403 622834609 /nfs/dbraw/zinc/83/46/09/622834609.db2.gz JYRNKULZXIMMSN-UHFFFAOYSA-N 1 1 291.416 3.445 20 10 CGCDMO CC[NH+](CC)C[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000045692644 622886920 /nfs/dbraw/zinc/88/69/20/622886920.db2.gz ZQTMTPDLEKTORK-LSDHHAIUSA-N 1 1 277.456 3.134 20 10 CGCDMO C[C@@H]([NH2+]Cc1cccs1)c1ccc(F)cc1O ZINC000062745083 623265160 /nfs/dbraw/zinc/26/51/60/623265160.db2.gz TZJSDZGPWPRJAN-SECBINFHSA-N 1 1 251.326 3.444 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1O ZINC000062747655 623267237 /nfs/dbraw/zinc/26/72/37/623267237.db2.gz CSNCAWUKTCIVFW-SNVBAGLBSA-N 1 1 290.294 3.290 20 10 CGCDMO C[C@H]1CCC[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000173525939 623329646 /nfs/dbraw/zinc/32/96/46/623329646.db2.gz LDJQFXHGMWOZDB-NSHDSACASA-N 1 1 263.381 3.380 20 10 CGCDMO COc1ccc(C[NH2+]C[C@H](C(C)C)N2CCCC2)cc1C ZINC000035258574 623423733 /nfs/dbraw/zinc/42/37/33/623423733.db2.gz DWLSGCAZCQBDEJ-QGZVFWFLSA-N 1 1 290.451 3.214 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)C[C@@H]2CCCO2)cc1C(C)C ZINC000151745428 623562485 /nfs/dbraw/zinc/56/24/85/623562485.db2.gz UYAASCAZWIPPGV-HNNXBMFYSA-N 1 1 277.408 3.435 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)NCC[NH+](CC)CC)cc1 ZINC000152781021 623712963 /nfs/dbraw/zinc/71/29/63/623712963.db2.gz PSLKQXUSPHCJGG-OAHLLOKOSA-N 1 1 277.456 3.135 20 10 CGCDMO CC[C@@H]1CCCC[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000915790352 624029034 /nfs/dbraw/zinc/02/90/34/624029034.db2.gz SXMTVRLUURQUOI-CQSZACIVSA-N 1 1 263.381 3.474 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC[C@H](C)CC2)c1O ZINC000179949780 624701216 /nfs/dbraw/zinc/70/12/16/624701216.db2.gz PHJISHOZNVGCOB-ZDUSSCGKSA-N 1 1 263.381 3.413 20 10 CGCDMO CCC[N@H+](Cc1cccc(C)c1O)C[C@H]1CCCCO1 ZINC000180068476 624715217 /nfs/dbraw/zinc/71/52/17/624715217.db2.gz IJPSEKTYEAJNQX-MRXNPFEDSA-N 1 1 277.408 3.482 20 10 CGCDMO Cc1cccc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)c1O ZINC000181924400 624912865 /nfs/dbraw/zinc/91/28/65/624912865.db2.gz JODPMHJWNKRMFI-GOSISDBHSA-N 1 1 297.398 3.144 20 10 CGCDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000124573146 634428292 /nfs/dbraw/zinc/42/82/92/634428292.db2.gz GFZVNZNTYVLOJA-HZMBPMFUSA-N 1 1 279.355 3.497 20 10 CGCDMO CC(C)(/C=C/Cl)[NH2+]Cc1cc(F)cc(F)c1O ZINC000922645636 626024185 /nfs/dbraw/zinc/02/41/85/626024185.db2.gz TZFDQGNJFLSFDI-ONEGZZNKSA-N 1 1 261.699 3.291 20 10 CGCDMO C[N@@H+](CCOCC1CCCC1)Cc1ccccc1O ZINC000838896717 626281350 /nfs/dbraw/zinc/28/13/50/626281350.db2.gz YLMOVKBUOJRTOR-UHFFFAOYSA-N 1 1 263.381 3.031 20 10 CGCDMO Oc1c(C[N@H+]2CCC[C@@H]3COC[C@@H]32)ccc2ccccc21 ZINC000839192589 626329089 /nfs/dbraw/zinc/32/90/89/626329089.db2.gz VMXUTKMOSQHTKE-WBVHZDCISA-N 1 1 283.371 3.156 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000839192568 626329227 /nfs/dbraw/zinc/32/92/27/626329227.db2.gz LBKZPCKHKWVKAB-CYBMUJFWSA-N 1 1 293.407 3.110 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000753577355 626456505 /nfs/dbraw/zinc/45/65/05/626456505.db2.gz SVBBYKNTZZZJCM-CYBMUJFWSA-N 1 1 261.365 3.189 20 10 CGCDMO Cc1cc(C[N@@H+]2CCOC[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000753983498 626470601 /nfs/dbraw/zinc/47/06/01/626470601.db2.gz CSUZEIVSMAPNIB-AWEZNQCLSA-N 1 1 291.435 3.466 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@]3(CCCOC3)C2)c1 ZINC000754737725 626585573 /nfs/dbraw/zinc/58/55/73/626585573.db2.gz UTMMULGQCUZQAB-SFHVURJKSA-N 1 1 289.419 3.402 20 10 CGCDMO Cc1noc(C)c1C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756460539 626707004 /nfs/dbraw/zinc/70/70/04/626707004.db2.gz QHXHRONOHBJWCZ-SSDOTTSWSA-N 1 1 282.290 3.126 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000756476389 626708116 /nfs/dbraw/zinc/70/81/16/626708116.db2.gz UEPVSQXZTNXGAL-QWHCGFSZSA-N 1 1 289.375 3.186 20 10 CGCDMO Cc1ccc2nc(C[NH2+][C@H](C)c3ccc(F)cc3O)cn2c1 ZINC000756531998 626712786 /nfs/dbraw/zinc/71/27/86/626712786.db2.gz CLXKXKFJMFEEKH-GFCCVEGCSA-N 1 1 299.349 3.338 20 10 CGCDMO C[C@H]([NH2+]CCN1[C@H](C)CCC[C@H]1C)c1ccc(F)cc1O ZINC000756556988 626714709 /nfs/dbraw/zinc/71/47/09/626714709.db2.gz ZAJPOHGPRSBOEQ-MCIONIFRSA-N 1 1 294.414 3.445 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC2(C)C)c1 ZINC000756642655 626724098 /nfs/dbraw/zinc/72/40/98/626724098.db2.gz PNZJVNKMVHTAQP-XHDPSFHLSA-N 1 1 291.391 3.408 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2(C)CCC2)c1 ZINC000756737761 626728743 /nfs/dbraw/zinc/72/87/43/626728743.db2.gz AYPNWGLBKONBRH-NSHDSACASA-N 1 1 277.364 3.020 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)C2(C)CC2)c1 ZINC000756817545 626734447 /nfs/dbraw/zinc/73/44/47/626734447.db2.gz KNIDTAQTPZVZOP-WDEREUQCSA-N 1 1 277.364 3.018 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CCC(F)(F)C2)c1 ZINC000756851253 626737754 /nfs/dbraw/zinc/73/77/54/626737754.db2.gz QXWHIPBREFWSOY-KOLCDFICSA-N 1 1 299.317 3.017 20 10 CGCDMO Cc1nnc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)s1 ZINC000757637364 626796540 /nfs/dbraw/zinc/79/65/40/626796540.db2.gz HIMQPSQVMQPEOK-SNVBAGLBSA-N 1 1 277.393 3.020 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H](C)OC)cc1F ZINC000809717402 626859137 /nfs/dbraw/zinc/85/91/37/626859137.db2.gz HPSUAHGLIZSOLT-CYBMUJFWSA-N 1 1 282.403 3.139 20 10 CGCDMO CC(C)[N@H+](CCN1CCCC1)Cc1ccc(N(C)C)cc1 ZINC000760820982 626993972 /nfs/dbraw/zinc/99/39/72/626993972.db2.gz YJMDDONTGQSFTK-UHFFFAOYSA-N 1 1 289.467 3.059 20 10 CGCDMO CC(C)[N@@H+](CCN1CCCC1)Cc1ccc(N(C)C)cc1 ZINC000760820982 626993976 /nfs/dbraw/zinc/99/39/76/626993976.db2.gz YJMDDONTGQSFTK-UHFFFAOYSA-N 1 1 289.467 3.059 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000761227081 627027034 /nfs/dbraw/zinc/02/70/34/627027034.db2.gz XLNKLLMBYIXFMX-LBPRGKRZSA-N 1 1 263.381 3.269 20 10 CGCDMO Cc1[nH+]ccn1CCSc1ncc(Cl)s1 ZINC000765054028 627238166 /nfs/dbraw/zinc/23/81/66/627238166.db2.gz SZAVUWDESUPGIX-UHFFFAOYSA-N 1 1 259.787 3.094 20 10 CGCDMO CC(C)n1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000766095942 627295340 /nfs/dbraw/zinc/29/53/40/627295340.db2.gz SOELNETWQMRDNP-AWEZNQCLSA-N 1 1 286.423 3.381 20 10 CGCDMO Cc1nccn1CC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000766241203 627306343 /nfs/dbraw/zinc/30/63/43/627306343.db2.gz CQSRLLVJAWNSTG-UHFFFAOYSA-N 1 1 299.418 3.342 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C[C@@H]1C ZINC000766375146 627324504 /nfs/dbraw/zinc/32/45/04/627324504.db2.gz RMJZWWZWNZJPLE-OLZOCXBDSA-N 1 1 270.376 3.418 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000768139525 627462827 /nfs/dbraw/zinc/46/28/27/627462827.db2.gz QWTWOYJIMSYICV-GFCCVEGCSA-N 1 1 250.361 3.124 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000768215074 627468997 /nfs/dbraw/zinc/46/89/97/627468997.db2.gz XECMASDTEPLIOP-UHFFFAOYSA-N 1 1 292.398 3.037 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N(CC)CC)cc2)CCO1 ZINC000768236591 627470331 /nfs/dbraw/zinc/47/03/31/627470331.db2.gz GWEQNZVHRFHXSE-QGZVFWFLSA-N 1 1 276.424 3.144 20 10 CGCDMO COc1cc(O)c(C[N@@H+](CC2CC2)C(C)C)cc1OC ZINC000768439909 627480071 /nfs/dbraw/zinc/48/00/71/627480071.db2.gz PHTQDGWUVNZCGG-UHFFFAOYSA-N 1 1 279.380 3.030 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@@H](C)CC2)c(O)cc1C ZINC000768446610 627480870 /nfs/dbraw/zinc/48/08/70/627480870.db2.gz ZDRQIAOYKUFXKL-GFCCVEGCSA-N 1 1 263.381 3.331 20 10 CGCDMO CC[N@@H+](CCc1ccccn1)Cc1cc(C)c(C)cc1O ZINC000769032723 627518798 /nfs/dbraw/zinc/51/87/98/627518798.db2.gz FYMVXUADBRCMFD-UHFFFAOYSA-N 1 1 284.403 3.469 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCCOC)cc1F ZINC000769140397 627525533 /nfs/dbraw/zinc/52/55/33/627525533.db2.gz OHIHIHBPMXJTAB-UHFFFAOYSA-N 1 1 282.403 3.140 20 10 CGCDMO CCOc1ccc(C[N@@H+](CC)Cc2ccoc2)c(O)c1 ZINC000769297538 627537496 /nfs/dbraw/zinc/53/74/96/627537496.db2.gz BINYIXHSHJPZAC-UHFFFAOYSA-N 1 1 275.348 3.406 20 10 CGCDMO CC[N@@H+](Cc1ccoc1)Cc1c(O)cccc1OC ZINC000769298890 627537557 /nfs/dbraw/zinc/53/75/57/627537557.db2.gz KTNVGRABGDRBPI-UHFFFAOYSA-N 1 1 261.321 3.016 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)Cc1ccc(C)s1 ZINC000769316603 627539813 /nfs/dbraw/zinc/53/98/13/627539813.db2.gz KMASVXLABBWBIY-UHFFFAOYSA-N 1 1 277.389 3.403 20 10 CGCDMO CCC[N@@H+](Cc1cc(Cl)ccc1O)CC(C)(C)O ZINC000769326198 627541733 /nfs/dbraw/zinc/54/17/33/627541733.db2.gz FVUZXWCCOIUERP-UHFFFAOYSA-N 1 1 271.788 3.029 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](CC(C)C)C1 ZINC000769403353 627549512 /nfs/dbraw/zinc/54/95/12/627549512.db2.gz RBFKLXMKSHPROU-CYBMUJFWSA-N 1 1 263.381 3.269 20 10 CGCDMO COc1cccc(O)c1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000769425084 627550928 /nfs/dbraw/zinc/55/09/28/627550928.db2.gz CQBGKTNKAFNJSR-BETUJISGSA-N 1 1 261.365 3.023 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCc3cccc(F)c3C2)cc1 ZINC000769435894 627552318 /nfs/dbraw/zinc/55/23/18/627552318.db2.gz UUPMFFLIRJYAHJ-UHFFFAOYSA-N 1 1 284.378 3.450 20 10 CGCDMO CC(C)[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000770306244 627612699 /nfs/dbraw/zinc/61/26/99/627612699.db2.gz LOPWHUHCXXUWSZ-QGZVFWFLSA-N 1 1 288.435 3.001 20 10 CGCDMO C[C@@H](Nc1cc[nH+]cc1Cl)c1ccc(N(C)C)cc1 ZINC000772300456 627782677 /nfs/dbraw/zinc/78/26/77/627782677.db2.gz LBYBQTIMCPVMQV-LLVKDONJSA-N 1 1 275.783 3.396 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000772598121 627805641 /nfs/dbraw/zinc/80/56/41/627805641.db2.gz HPSHGBRONSCKHT-AWEZNQCLSA-N 1 1 272.348 3.066 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000773758815 627912257 /nfs/dbraw/zinc/91/22/57/627912257.db2.gz UWLQFWUXOIGDBD-GOSISDBHSA-N 1 1 298.434 3.176 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCOCC[C@@H]2C)cc1C(C)C ZINC000774660785 628013578 /nfs/dbraw/zinc/01/35/78/628013578.db2.gz PUHDTMLFISPYIT-AWEZNQCLSA-N 1 1 277.408 3.435 20 10 CGCDMO CC[C@]1(C)CCC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000775701570 628127674 /nfs/dbraw/zinc/12/76/74/628127674.db2.gz SPXRZXWAWIFEAU-MRXNPFEDSA-N 1 1 263.381 3.413 20 10 CGCDMO CCOC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775734427 628130064 /nfs/dbraw/zinc/13/00/64/628130064.db2.gz OZLNVMVUQBVOTG-SNVBAGLBSA-N 1 1 287.762 3.043 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C[C@@H]1F ZINC000777965496 628316581 /nfs/dbraw/zinc/31/65/81/628316581.db2.gz WWJVYIRTJAKYMR-LRDDRELGSA-N 1 1 277.383 3.451 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C[C@@H]1F ZINC000777965512 628316752 /nfs/dbraw/zinc/31/67/52/628316752.db2.gz WZKIOESJEZUMBD-NHYWBVRUSA-N 1 1 274.339 3.120 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(Cl)cn2)cc1 ZINC000778214880 628334847 /nfs/dbraw/zinc/33/48/47/628334847.db2.gz XDMMLASDJWSZLF-UHFFFAOYSA-N 1 1 289.810 3.433 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000779189992 628393410 /nfs/dbraw/zinc/39/34/10/628393410.db2.gz VDSQWCGZTGQMQI-ZDUSSCGKSA-N 1 1 295.810 3.437 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC[C@@H]1O ZINC000779199141 628393880 /nfs/dbraw/zinc/39/38/80/628393880.db2.gz UWQDSZXCFDFVDE-KDOFPFPSSA-N 1 1 297.398 3.262 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)cc1C ZINC000783539350 628723399 /nfs/dbraw/zinc/72/33/99/628723399.db2.gz BPUSRZIZVQMGQL-BFHYXJOUSA-N 1 1 263.381 3.007 20 10 CGCDMO COc1cc(O)c(C[N@H+]2C[C@@H](C)CC(C)(C)C2)cc1OC ZINC000784006172 628765080 /nfs/dbraw/zinc/76/50/80/628765080.db2.gz DEGTXKCOFNUYGR-LBPRGKRZSA-N 1 1 293.407 3.277 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c1O ZINC000785986806 628905939 /nfs/dbraw/zinc/90/59/39/628905939.db2.gz DOZNERVFTXHMDS-JVLSTEMRSA-N 1 1 297.826 3.335 20 10 CGCDMO COC[C@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788822621 629084397 /nfs/dbraw/zinc/08/43/97/629084397.db2.gz MWMKGHNAMNIPKU-DTWKUNHWSA-N 1 1 277.286 3.097 20 10 CGCDMO COC[C@@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788822620 629084630 /nfs/dbraw/zinc/08/46/30/629084630.db2.gz MWMKGHNAMNIPKU-BDAKNGLRSA-N 1 1 277.286 3.097 20 10 CGCDMO C[C@@H]1C[C@@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000790980871 629245971 /nfs/dbraw/zinc/24/59/71/629245971.db2.gz GGTSCZQMTIWKCA-ZJUUUORDSA-N 1 1 287.762 3.089 20 10 CGCDMO CN(C)c1cc(F)c(C[N@@H+]2CCC2(C)C)cc1F ZINC000862246524 629330161 /nfs/dbraw/zinc/33/01/61/629330161.db2.gz QCYONGLDMNFKCV-UHFFFAOYSA-N 1 1 254.324 3.015 20 10 CGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC2(C)C)cc1F ZINC000862246524 629330163 /nfs/dbraw/zinc/33/01/63/629330163.db2.gz QCYONGLDMNFKCV-UHFFFAOYSA-N 1 1 254.324 3.015 20 10 CGCDMO CC(C)[C@@H]1CC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792173491 629345213 /nfs/dbraw/zinc/34/52/13/629345213.db2.gz ZUUOMSLNUGQMEW-NSHDSACASA-N 1 1 257.736 3.415 20 10 CGCDMO CC(C)[C@@H]1CC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792173491 629345215 /nfs/dbraw/zinc/34/52/15/629345215.db2.gz ZUUOMSLNUGQMEW-NSHDSACASA-N 1 1 257.736 3.415 20 10 CGCDMO COCC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H]1CC[C@H](C)C1 ZINC000792192131 629347230 /nfs/dbraw/zinc/34/72/30/629347230.db2.gz DMHYNSICWAYVBD-YJBOKZPZSA-N 1 1 290.451 3.390 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCCC(F)(F)CC1 ZINC000862467469 629382207 /nfs/dbraw/zinc/38/22/07/629382207.db2.gz WGDXREKRTXKIGH-UHFFFAOYSA-N 1 1 271.307 3.022 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c(O)c1 ZINC000862473681 629383851 /nfs/dbraw/zinc/38/38/51/629383851.db2.gz XKBUOGUJKADXOV-CABCVRRESA-N 1 1 293.432 3.261 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCc3c(O)cccc3C2)cc1C ZINC000862529021 629391321 /nfs/dbraw/zinc/39/13/21/629391321.db2.gz HCYKWPMKPZSKBA-UHFFFAOYSA-N 1 1 283.371 3.273 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1 ZINC000793230942 629433156 /nfs/dbraw/zinc/43/31/56/629433156.db2.gz IVJYURNYUYKVGP-JQWIXIFHSA-N 1 1 273.298 3.473 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](CC2CC2)C2CCC2)c1 ZINC000793397475 629454669 /nfs/dbraw/zinc/45/46/69/629454669.db2.gz XHHCSGGTFJZEMI-UHFFFAOYSA-N 1 1 261.365 3.165 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC[C@@H](C)C2)c1 ZINC000794840287 629586126 /nfs/dbraw/zinc/58/61/26/629586126.db2.gz IBGVOZRTYVDDTE-AGIUHOORSA-N 1 1 291.391 3.266 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000015028508 629801194 /nfs/dbraw/zinc/80/11/94/629801194.db2.gz FPAORRNUMLAJNJ-UHFFFAOYSA-N 1 1 299.374 3.293 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+]2CC(C)=C[C@@H](C)C2)c1 ZINC000797604799 629970044 /nfs/dbraw/zinc/97/00/44/629970044.db2.gz ITGRRRDICWWXOH-GFCCVEGCSA-N 1 1 261.365 3.189 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(C)c(C)cc2O)CCCO1 ZINC000798965256 630132225 /nfs/dbraw/zinc/13/22/25/630132225.db2.gz VJPXPWCQOWSTTM-HNNXBMFYSA-N 1 1 263.381 3.010 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCC2(C)C)c1 ZINC000806169592 630552846 /nfs/dbraw/zinc/55/28/46/630552846.db2.gz NXGDOGSGQYIOIS-QMTHXVAHSA-N 1 1 277.364 3.018 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C[C@@H]1C ZINC000840124111 630605366 /nfs/dbraw/zinc/60/53/66/630605366.db2.gz NTUCLIMZFBNPCC-SCLBCKFNSA-N 1 1 289.419 3.128 20 10 CGCDMO CCOc1ccc(C[NH2+][C@@H]2CCCC2(F)F)c(O)c1 ZINC000808432004 630644004 /nfs/dbraw/zinc/64/40/04/630644004.db2.gz RVMHXZKQNVQLDG-CYBMUJFWSA-N 1 1 271.307 3.068 20 10 CGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)CCN(C)C)c1O ZINC000808686386 630664506 /nfs/dbraw/zinc/66/45/06/630664506.db2.gz XTOQSSIIIMGWMD-VXGBXAGGSA-N 1 1 284.831 3.345 20 10 CGCDMO CC(C)C[C@@H](CO)[N@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000809767567 630802679 /nfs/dbraw/zinc/80/26/79/630802679.db2.gz OHWIFJYLSSDZKD-JTQLQIEISA-N 1 1 289.778 3.024 20 10 CGCDMO CC(C)C[C@@H](CO)[N@@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000809767567 630802682 /nfs/dbraw/zinc/80/26/82/630802682.db2.gz OHWIFJYLSSDZKD-JTQLQIEISA-N 1 1 289.778 3.024 20 10 CGCDMO CCC[N@@H+](CC)C[C@H](C)NCc1ccc(OC)c(C)c1 ZINC000810180885 630851198 /nfs/dbraw/zinc/85/11/98/630851198.db2.gz PHHKGJPCSUUNHN-HNNXBMFYSA-N 1 1 278.440 3.214 20 10 CGCDMO CCCN(CC)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000810180885 630851199 /nfs/dbraw/zinc/85/11/99/630851199.db2.gz PHHKGJPCSUUNHN-HNNXBMFYSA-N 1 1 278.440 3.214 20 10 CGCDMO Cc1cccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)c1O ZINC000811513941 631081323 /nfs/dbraw/zinc/08/13/23/631081323.db2.gz WVKCUXULJSNVEP-INIZCTEOSA-N 1 1 257.377 3.465 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c(O)c1 ZINC000876513051 634849871 /nfs/dbraw/zinc/84/98/71/634849871.db2.gz GOXWUNHJIYKNBP-HNNXBMFYSA-N 1 1 256.349 3.366 20 10 CGCDMO CC[N@@H+](CCC[C@H]1CCO1)Cc1ccc(N(C)C)cc1 ZINC000876522450 634851118 /nfs/dbraw/zinc/85/11/18/634851118.db2.gz REECMOHFIFXOPR-KRWDZBQOSA-N 1 1 276.424 3.144 20 10 CGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](C)CN(C)C)c1O ZINC000813877374 631476147 /nfs/dbraw/zinc/47/61/47/631476147.db2.gz UDHCNTHSPFGRTH-ZYHUDNBSSA-N 1 1 284.831 3.202 20 10 CGCDMO COc1cccc(O)c1C[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000814177411 631537901 /nfs/dbraw/zinc/53/79/01/631537901.db2.gz AYOMIDRMZRLBDN-ZDUSSCGKSA-N 1 1 299.370 3.184 20 10 CGCDMO Cc1ccoc1C[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000814175006 631538644 /nfs/dbraw/zinc/53/86/44/631538644.db2.gz OLFNTWSSWMBUCO-UHFFFAOYSA-N 1 1 276.355 3.425 20 10 CGCDMO CC[N@@H+](Cc1ccncc1)Cc1ccc(N(C)C)c(C)c1 ZINC000815081300 631712208 /nfs/dbraw/zinc/71/22/08/631712208.db2.gz YNBVHLSRKYOWSI-UHFFFAOYSA-N 1 1 283.419 3.478 20 10 CGCDMO Cc1cc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)ccc1N(C)C ZINC000815101791 631718124 /nfs/dbraw/zinc/71/81/24/631718124.db2.gz CFDSRTWHCNUOTK-KRWDZBQOSA-N 1 1 290.451 3.308 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)c1cccc(C(F)(F)F)c1O ZINC000815615870 631806806 /nfs/dbraw/zinc/80/68/06/631806806.db2.gz ZPUJCFOPUWFXEC-LPEHRKFASA-N 1 1 291.313 3.221 20 10 CGCDMO CC[C@@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)OC ZINC000815628061 631808764 /nfs/dbraw/zinc/80/87/64/631808764.db2.gz QJWSQBVUZWCLFQ-UWVGGRQHSA-N 1 1 291.313 3.487 20 10 CGCDMO Oc1c(C[N@H+]2CCN3CCCC[C@@H]3C2)ccc2ccccc21 ZINC000816498045 631993455 /nfs/dbraw/zinc/99/34/55/631993455.db2.gz DLKDKQBUXTTXNE-QGZVFWFLSA-N 1 1 296.414 3.216 20 10 CGCDMO Oc1c(CN2CC[N@@H+]3CCCC[C@@H]3C2)ccc2ccccc21 ZINC000816498045 631993463 /nfs/dbraw/zinc/99/34/63/631993463.db2.gz DLKDKQBUXTTXNE-QGZVFWFLSA-N 1 1 296.414 3.216 20 10 CGCDMO Oc1c(CN2CC[N@H+]3CCCC[C@@H]3C2)ccc2ccccc21 ZINC000816498045 631993468 /nfs/dbraw/zinc/99/34/68/631993468.db2.gz DLKDKQBUXTTXNE-QGZVFWFLSA-N 1 1 296.414 3.216 20 10 CGCDMO CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816538214 632006274 /nfs/dbraw/zinc/00/62/74/632006274.db2.gz JIZCZNAVWAPENT-HNNXBMFYSA-N 1 1 298.430 3.367 20 10 CGCDMO CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816538214 632006276 /nfs/dbraw/zinc/00/62/76/632006276.db2.gz JIZCZNAVWAPENT-HNNXBMFYSA-N 1 1 298.430 3.367 20 10 CGCDMO Oc1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816544837 632007377 /nfs/dbraw/zinc/00/73/77/632007377.db2.gz VNAGUUCIFNYUGF-UHFFFAOYSA-N 1 1 281.714 3.180 20 10 CGCDMO Cc1ncsc1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816547725 632007721 /nfs/dbraw/zinc/00/77/21/632007721.db2.gz GVJMIRJCGROFFQ-UHFFFAOYSA-N 1 1 286.759 3.239 20 10 CGCDMO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816549105 632009224 /nfs/dbraw/zinc/00/92/24/632009224.db2.gz DKVIELYNZMKFAH-XPTSAGLGSA-N 1 1 289.778 3.071 20 10 CGCDMO C[NH+]1CCC(CC[NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816548865 632009338 /nfs/dbraw/zinc/00/93/38/632009338.db2.gz VWDKRJLJIIGHGC-UHFFFAOYSA-N 1 1 298.430 3.367 20 10 CGCDMO CSCC[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816552707 632010248 /nfs/dbraw/zinc/01/02/48/632010248.db2.gz TWVAGPXAIMEGAU-QMMMGPOBSA-N 1 1 277.792 3.416 20 10 CGCDMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@@H]1CCCOC1 ZINC000816566011 632014419 /nfs/dbraw/zinc/01/44/19/632014419.db2.gz IUURDUYQBJYOEL-NXEZZACHSA-N 1 1 287.762 3.089 20 10 CGCDMO Oc1c(C[N@H+]2CCO[C@H](C3CC3)C2)ccc2ccccc21 ZINC000816574174 632015694 /nfs/dbraw/zinc/01/56/94/632015694.db2.gz ZENTZYBXKGDOCC-KRWDZBQOSA-N 1 1 283.371 3.156 20 10 CGCDMO CC1(C)CC[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2O)O1 ZINC000816574471 632015759 /nfs/dbraw/zinc/01/57/59/632015759.db2.gz IYHUFQPJDDEGIV-JTQLQIEISA-N 1 1 287.762 3.232 20 10 CGCDMO CC(C)C1C[NH+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816594751 632019168 /nfs/dbraw/zinc/01/91/68/632019168.db2.gz OGKWKSPFTNIXHZ-UHFFFAOYSA-N 1 1 257.736 3.273 20 10 CGCDMO C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816592062 632019558 /nfs/dbraw/zinc/01/95/58/632019558.db2.gz WWFBUXUDVQFVSR-QGZVFWFLSA-N 1 1 298.430 3.462 20 10 CGCDMO C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816592062 632019569 /nfs/dbraw/zinc/01/95/69/632019569.db2.gz WWFBUXUDVQFVSR-QGZVFWFLSA-N 1 1 298.430 3.462 20 10 CGCDMO C[N@@H+](CCCCCO)Cc1ccc2ccccc2c1O ZINC000816594220 632019665 /nfs/dbraw/zinc/01/96/65/632019665.db2.gz UGJUMFFIGYUHFC-UHFFFAOYSA-N 1 1 273.376 3.140 20 10 CGCDMO C[N@@H+](Cc1ccc2ccccc2c1O)[C@@H]1CCCOC1 ZINC000816608118 632023646 /nfs/dbraw/zinc/02/36/46/632023646.db2.gz POFVJXLFGKHTRA-OAHLLOKOSA-N 1 1 271.360 3.156 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H](C)[C@@H]2C)c1 ZINC000816648983 632035577 /nfs/dbraw/zinc/03/55/77/632035577.db2.gz RNQMJYYPQGHZLE-ZJUUUORDSA-N 1 1 284.197 3.303 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H](C)[C@@H]2C)c1 ZINC000816648983 632035583 /nfs/dbraw/zinc/03/55/83/632035583.db2.gz RNQMJYYPQGHZLE-ZJUUUORDSA-N 1 1 284.197 3.303 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817952095 632247975 /nfs/dbraw/zinc/24/79/75/632247975.db2.gz NEIVBXQZJAYNHB-BDAKNGLRSA-N 1 1 289.206 3.102 20 10 CGCDMO C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc2ccccc2c1[O-] ZINC000817967035 632261101 /nfs/dbraw/zinc/26/11/01/632261101.db2.gz CTLGBHYMNFXDPC-ZDUSSCGKSA-N 1 1 282.387 3.116 20 10 CGCDMO CCN(C)c1ccc([C@H](C)NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000817966379 632261154 /nfs/dbraw/zinc/26/11/54/632261154.db2.gz MHWTVICOLOLXFS-YJBOKZPZSA-N 1 1 289.467 3.183 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc2ccccc2c1[O-] ZINC000817970255 632262719 /nfs/dbraw/zinc/26/27/19/632262719.db2.gz PVPCXBSWDQMPAM-AEGPPILISA-N 1 1 284.403 3.466 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc2ccccc2c1[O-] ZINC000817970805 632264885 /nfs/dbraw/zinc/26/48/85/632264885.db2.gz FKIUEDDLNNXRER-VNHYZAJKSA-N 1 1 284.403 3.337 20 10 CGCDMO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(Cl)cc1O ZINC000818358745 632314557 /nfs/dbraw/zinc/31/45/57/632314557.db2.gz FZKGNZFQLBUZBL-GUDRVLHUSA-N 1 1 251.757 3.495 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N)c1O ZINC000818614844 632341209 /nfs/dbraw/zinc/34/12/09/632341209.db2.gz HGOSUMAMQCYKDD-ZLKJLUDKSA-N 1 1 282.815 3.275 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1ccc(F)cc1O ZINC000866530029 633175727 /nfs/dbraw/zinc/17/57/27/633175727.db2.gz VSXBYAAZOXKRKE-STQMWFEESA-N 1 1 293.382 3.389 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cc(Cl)cc(C)c1O)C(F)F ZINC000824508715 633251095 /nfs/dbraw/zinc/25/10/95/633251095.db2.gz GZBMZCSKLBOMRX-SNVBAGLBSA-N 1 1 263.715 3.487 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C[C@H]1C ZINC000824820935 633297845 /nfs/dbraw/zinc/29/78/45/633297845.db2.gz RCRBGGUYUOLQQJ-DYVFJYSZSA-N 1 1 285.387 3.402 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1Cl ZINC000824895604 633302998 /nfs/dbraw/zinc/30/29/98/633302998.db2.gz ZZFNBCYEAIMAKT-CHWSQXEVSA-N 1 1 295.810 3.212 20 10 CGCDMO CC(C)N1CC[C@@H]([N@@H+](C)Cc2c(O)ccc3ccccc32)C1 ZINC000825331676 633346888 /nfs/dbraw/zinc/34/68/88/633346888.db2.gz LAVOHAUDBKHJGU-MRXNPFEDSA-N 1 1 298.430 3.460 20 10 CGCDMO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2c(O)ccc3ccccc32)C1 ZINC000825331676 633346892 /nfs/dbraw/zinc/34/68/92/633346892.db2.gz LAVOHAUDBKHJGU-MRXNPFEDSA-N 1 1 298.430 3.460 20 10 CGCDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2c(O)ccc3ccccc32)C1 ZINC000825331676 633346896 /nfs/dbraw/zinc/34/68/96/633346896.db2.gz LAVOHAUDBKHJGU-MRXNPFEDSA-N 1 1 298.430 3.460 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1Cl ZINC000826143039 633407793 /nfs/dbraw/zinc/40/77/93/633407793.db2.gz RBGNCEYZUQOADO-AOOOYVTPSA-N 1 1 273.710 3.051 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCc3ccc(C)cc3C2)c1 ZINC000826910988 633443265 /nfs/dbraw/zinc/44/32/65/633443265.db2.gz QKKWXVASZINGJA-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000826910508 633443389 /nfs/dbraw/zinc/44/33/89/633443389.db2.gz JHTKREDALPESQD-JTQLQIEISA-N 1 1 296.367 3.223 20 10 CGCDMO C[N@H+](CC1=CCSC1)Cc1c(O)ccc(Cl)c1F ZINC000827805901 633519926 /nfs/dbraw/zinc/51/99/26/633519926.db2.gz NKSDJHPKXKBRLV-UHFFFAOYSA-N 1 1 287.787 3.290 20 10 CGCDMO C[N@@H+](CC1=CCSC1)Cc1c(O)ccc(Cl)c1F ZINC000827805901 633519931 /nfs/dbraw/zinc/51/99/31/633519931.db2.gz NKSDJHPKXKBRLV-UHFFFAOYSA-N 1 1 287.787 3.290 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCCc3n[nH]cc3C2)cc1 ZINC000828013651 633548616 /nfs/dbraw/zinc/54/86/16/633548616.db2.gz HCPQBAGSILMTDU-UHFFFAOYSA-N 1 1 298.434 3.204 20 10 CGCDMO CCC[C@H](C)[C@@H](CO)[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000846185336 636155741 /nfs/dbraw/zinc/15/57/41/636155741.db2.gz UVBWNDIFTHSWKZ-NILFDRSVSA-N 1 1 283.387 3.369 20 10 CGCDMO CN(C)CC1(C[NH2+][C@H]2CCc3cccc(O)c32)CCCC1 ZINC000834764514 634238345 /nfs/dbraw/zinc/23/83/45/634238345.db2.gz FCNBNJLOFSSEKX-HNNXBMFYSA-N 1 1 288.435 3.091 20 10 CGCDMO CC[C@@H]([NH2+]C[C@](C)(CC)OC)c1ccc(F)cc1O ZINC000834882985 634265666 /nfs/dbraw/zinc/26/56/66/634265666.db2.gz WSVTZWGNCRJPOP-HIFRSBDPSA-N 1 1 269.360 3.387 20 10 CGCDMO C[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)C1CC[NH2+]CC1 ZINC000873272178 634314899 /nfs/dbraw/zinc/31/48/99/634314899.db2.gz QFMSDPLIWLAOIY-COPLHBTASA-N 1 1 292.398 3.057 20 10 CGCDMO CC(C)[N@H+](C)CCCNC/C=C\c1ccc(N(C)C)cc1 ZINC000835035744 634327082 /nfs/dbraw/zinc/32/70/82/634327082.db2.gz KLSGQTDHDGDSHT-VURMDHGXSA-N 1 1 289.467 3.086 20 10 CGCDMO CC(C)[N@@H+](C)CCCNC/C=C\c1ccc(N(C)C)cc1 ZINC000835035744 634327083 /nfs/dbraw/zinc/32/70/83/634327083.db2.gz KLSGQTDHDGDSHT-VURMDHGXSA-N 1 1 289.467 3.086 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@H]2C2CC2)cc1 ZINC000835053945 634337806 /nfs/dbraw/zinc/33/78/06/634337806.db2.gz GDUNFAMOJMVDIK-IDOMTICXSA-N 1 1 256.393 3.250 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000876723985 634886739 /nfs/dbraw/zinc/88/67/39/634886739.db2.gz KEWBJXYITMMNFX-ZDUSSCGKSA-N 1 1 257.333 3.283 20 10 CGCDMO Cc1ccc(C[N@H+](C)[C@H](CCO)c2ccccc2)c(O)c1 ZINC000876739917 634889831 /nfs/dbraw/zinc/88/98/31/634889831.db2.gz KRUPAHBZILCPPF-QGZVFWFLSA-N 1 1 285.387 3.256 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+](C)CCc1cccs1 ZINC000876768737 634896770 /nfs/dbraw/zinc/89/67/70/634896770.db2.gz LZLLNAPZVAORHB-UHFFFAOYSA-N 1 1 261.390 3.437 20 10 CGCDMO CN1CCCc2cc(C[NH2+]Cc3cc(C4CC4)no3)ccc21 ZINC000876986910 634944604 /nfs/dbraw/zinc/94/46/04/634944604.db2.gz OIHNTRKDFMZNES-UHFFFAOYSA-N 1 1 297.402 3.224 20 10 CGCDMO Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c(O)c1 ZINC000877487379 635055735 /nfs/dbraw/zinc/05/57/35/635055735.db2.gz UADAYGMYGADVRP-PWSUYJOCSA-N 1 1 273.298 3.473 20 10 CGCDMO Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c(O)c1 ZINC000877487377 635055793 /nfs/dbraw/zinc/05/57/93/635055793.db2.gz UADAYGMYGADVRP-CMPLNLGQSA-N 1 1 273.298 3.473 20 10 CGCDMO C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc(F)cc(F)c1[O-] ZINC000840809274 635056090 /nfs/dbraw/zinc/05/60/90/635056090.db2.gz HVYTWPCZWBPYEA-RYUDHWBXSA-N 1 1 298.377 3.053 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000877544468 635081828 /nfs/dbraw/zinc/08/18/28/635081828.db2.gz XCRGPDBXNYCRMY-KGLIPLIRSA-N 1 1 267.319 3.178 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)CC2(O)CCCC2)c(Cl)c1 ZINC000840917854 635083032 /nfs/dbraw/zinc/08/30/32/635083032.db2.gz OLWVSDSCEFDODF-UHFFFAOYSA-N 1 1 283.799 3.091 20 10 CGCDMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840939292 635087420 /nfs/dbraw/zinc/08/74/20/635087420.db2.gz MRFVKUUIZLCSAH-GOSISDBHSA-N 1 1 290.451 3.046 20 10 CGCDMO Cc1cc(O)c(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)c(Cl)c1 ZINC000840949794 635090488 /nfs/dbraw/zinc/09/04/88/635090488.db2.gz CEAJIGWRIMXSGL-GXFFZTMASA-N 1 1 291.782 3.346 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000877610895 635111608 /nfs/dbraw/zinc/11/16/08/635111608.db2.gz LPGMAJKPWOFFHP-CQSZACIVSA-N 1 1 263.381 3.090 20 10 CGCDMO Cc1ccc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1C ZINC000841040495 635112330 /nfs/dbraw/zinc/11/23/30/635112330.db2.gz NNZVUYSXQBCLCN-IBGZPJMESA-N 1 1 297.446 3.159 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000877650638 635131654 /nfs/dbraw/zinc/13/16/54/635131654.db2.gz SJVQISIRHCGAJI-UHFFFAOYSA-N 1 1 297.402 3.172 20 10 CGCDMO CCn1nc(C)c(C[N@@H+](C)Cc2cc(C)ccc2O)c1C ZINC000877664036 635137927 /nfs/dbraw/zinc/13/79/27/635137927.db2.gz KTRQFAODLDWQFD-UHFFFAOYSA-N 1 1 287.407 3.166 20 10 CGCDMO CCCN(CCC)c1ccc(C[NH2+]Cc2ncc[nH]2)cc1 ZINC000877672730 635141506 /nfs/dbraw/zinc/14/15/06/635141506.db2.gz LXAOCGLPVAIKMQ-UHFFFAOYSA-N 1 1 286.423 3.326 20 10 CGCDMO CS[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000877700662 635150911 /nfs/dbraw/zinc/15/09/11/635150911.db2.gz SFZVXHNVALCPOS-KYZUINATSA-N 1 1 275.776 3.168 20 10 CGCDMO Cc1cc(C[N@H+]2Cc3cccc(O)c3C2)cc(C)c1O ZINC000877702994 635153685 /nfs/dbraw/zinc/15/36/85/635153685.db2.gz NNBNWIPGZPZPEN-UHFFFAOYSA-N 1 1 269.344 3.230 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2Cc3cccc(O)c3C2)cc1F ZINC000877703727 635155148 /nfs/dbraw/zinc/15/51/48/635155148.db2.gz RFZGANJQBISLFX-UHFFFAOYSA-N 1 1 286.350 3.113 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2Cc3cccc(O)c3C2)cc1F ZINC000877703727 635155149 /nfs/dbraw/zinc/15/51/49/635155149.db2.gz RFZGANJQBISLFX-UHFFFAOYSA-N 1 1 286.350 3.113 20 10 CGCDMO C[C@H]([NH2+]CCCCn1ccnc1)c1ccc(Cl)cc1O ZINC000841744770 635222536 /nfs/dbraw/zinc/22/25/36/635222536.db2.gz KZQLLEKGFUEMEV-LBPRGKRZSA-N 1 1 293.798 3.373 20 10 CGCDMO C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1O)N(C)C1CC1 ZINC000841748806 635223877 /nfs/dbraw/zinc/22/38/77/635223877.db2.gz ZCWWRUXHKZTLBY-MNOVXSKESA-N 1 1 282.815 3.179 20 10 CGCDMO C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841751182 635225011 /nfs/dbraw/zinc/22/50/11/635225011.db2.gz MEUPTKPFIRUBLD-QWRGUYRKSA-N 1 1 285.815 3.493 20 10 CGCDMO C[C@@H]([NH2+]CC(C)(C)CCCO)c1ccc(Cl)cc1O ZINC000841748902 635225763 /nfs/dbraw/zinc/22/57/63/635225763.db2.gz AGGRFBVGGAVOIT-LLVKDONJSA-N 1 1 285.815 3.495 20 10 CGCDMO COc1cccc(C[N@H+]2CCSC[C@H]2C2CCC2)c1O ZINC000841893193 635249055 /nfs/dbraw/zinc/24/90/55/635249055.db2.gz GJOCOCDWERSAOM-AWEZNQCLSA-N 1 1 293.432 3.118 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H]1CCO[C@@H]1C ZINC000878150425 635379385 /nfs/dbraw/zinc/37/93/85/635379385.db2.gz DCHPKFQNWPQRKZ-KGLIPLIRSA-N 1 1 263.381 3.029 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)CC2(CCC2)O1 ZINC000842641832 635425926 /nfs/dbraw/zinc/42/59/26/635425926.db2.gz XUMOEGKYHWDZGA-ZDUSSCGKSA-N 1 1 298.386 3.084 20 10 CGCDMO CCCN(CCC)c1ccc(CN2CCC([NH3+])CC2)cc1 ZINC000843047040 635550522 /nfs/dbraw/zinc/55/05/22/635550522.db2.gz DOQIAWZVBQLEJI-UHFFFAOYSA-N 1 1 289.467 3.236 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c1O ZINC000843416883 635663004 /nfs/dbraw/zinc/66/30/04/635663004.db2.gz ZTEDNZBYGIXFOO-KRWDZBQOSA-N 1 1 283.371 3.354 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c(O)c1 ZINC000843420000 635665154 /nfs/dbraw/zinc/66/51/54/635665154.db2.gz YDXOYYNOLOCZCO-OAHLLOKOSA-N 1 1 298.386 3.175 20 10 CGCDMO C[C@@H]([NH2+]Cc1csc(Cl)n1)c1ccccc1O ZINC000879648898 635826742 /nfs/dbraw/zinc/82/67/42/635826742.db2.gz FJUBKXKUYOGXHH-MRVPVSSYSA-N 1 1 268.769 3.353 20 10 CGCDMO CCC1(CC)CC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000211597579 636107284 /nfs/dbraw/zinc/10/72/84/636107284.db2.gz MHKVUJKALKIRKM-UHFFFAOYSA-N 1 1 263.381 3.413 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC(C)(C)OC[C@H]2CC)c1 ZINC000846027511 636132211 /nfs/dbraw/zinc/13/22/11/636132211.db2.gz MYBMSUJSIIEEGC-CQSZACIVSA-N 1 1 293.407 3.180 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC=C(c3ccccn3)C2)cc1 ZINC000846923859 636284780 /nfs/dbraw/zinc/28/47/80/636284780.db2.gz ULPIFCIECCZACF-UHFFFAOYSA-N 1 1 293.414 3.437 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2CCOC3(CCCC3)C2)cc1F ZINC000129707709 636347120 /nfs/dbraw/zinc/34/71/20/636347120.db2.gz GVEBRRPYERRWSP-UHFFFAOYSA-N 1 1 292.398 3.037 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCOC3(CCCC3)C2)cc1F ZINC000129707709 636347125 /nfs/dbraw/zinc/34/71/25/636347125.db2.gz GVEBRRPYERRWSP-UHFFFAOYSA-N 1 1 292.398 3.037 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccncc1 ZINC000883016833 636508252 /nfs/dbraw/zinc/50/82/52/636508252.db2.gz NMASKQQATFOZRQ-CQSZACIVSA-N 1 1 278.302 3.306 20 10 CGCDMO Cc1cnc([C@H](C)C[NH2+]Cc2cc(F)cc(F)c2O)s1 ZINC000883087761 636536825 /nfs/dbraw/zinc/53/68/25/636536825.db2.gz HZHJTYGGRZOBEV-MRVPVSSYSA-N 1 1 298.358 3.329 20 10 CGCDMO CSCC1(CC[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000883166816 636562461 /nfs/dbraw/zinc/56/24/61/636562461.db2.gz JKKRYTKVXCCLHA-UHFFFAOYSA-N 1 1 287.375 3.293 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1O ZINC000848889819 636678021 /nfs/dbraw/zinc/67/80/21/636678021.db2.gz MVPGTWRSCNELEL-PBHICJAKSA-N 1 1 299.418 3.234 20 10 CGCDMO CCc1cccc(C[NH2+]Cc2nc3cccc(C)c3[nH]2)c1O ZINC000848901384 636681879 /nfs/dbraw/zinc/68/18/79/636681879.db2.gz YZKOVTMGSJTTFG-UHFFFAOYSA-N 1 1 295.386 3.429 20 10 CGCDMO CCc1cccc(C[N@H+]2CCCC[C@H]2C[C@@H](C)O)c1O ZINC000848907605 636685642 /nfs/dbraw/zinc/68/56/42/636685642.db2.gz GAVFNMQXGGHMKN-CJNGLKHVSA-N 1 1 277.408 3.080 20 10 CGCDMO CCc1cccc(C[N@H+]2C[C@H](C)OC3(CCC3)C2)c1O ZINC000848920061 636691417 /nfs/dbraw/zinc/69/14/17/636691417.db2.gz WSCUNVJLNDWFBJ-ZDUSSCGKSA-N 1 1 275.392 3.098 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C[C@H](C)O)C2CC2)cc1F ZINC000848928857 636700894 /nfs/dbraw/zinc/70/08/94/636700894.db2.gz PMDYDLWXHDGLMJ-ZDUSSCGKSA-N 1 1 294.414 3.017 20 10 CGCDMO CCC[C@H](C)[N@@H+](C)Cc1cccc(OCC)c1O ZINC000132297109 636800370 /nfs/dbraw/zinc/80/03/70/636800370.db2.gz RQRGVPSSHGCWAV-LBPRGKRZSA-N 1 1 251.370 3.411 20 10 CGCDMO CCO[C@H]1C[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2O)C1 ZINC000850515364 637099365 /nfs/dbraw/zinc/09/93/65/637099365.db2.gz XAVIGRKOHYSTKY-OBJOEFQTSA-N 1 1 267.344 3.140 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C)C[C@H]2C)c1O ZINC000135821935 637188509 /nfs/dbraw/zinc/18/85/09/637188509.db2.gz LOLLSWCHSACFCW-VHSXEESVSA-N 1 1 281.783 3.479 20 10 CGCDMO CCn1nc(C)c(C[NH2+][C@@H](C)c2c(O)cccc2F)c1C ZINC000886520957 637550674 /nfs/dbraw/zinc/55/06/74/637550674.db2.gz QRJQISHTIOHIEB-NSHDSACASA-N 1 1 291.370 3.215 20 10 CGCDMO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1c(O)cccc1F ZINC000886532397 637555839 /nfs/dbraw/zinc/55/58/39/637555839.db2.gz ILCXOLOSIBTRJV-IRHXVLAXSA-N 1 1 293.382 3.386 20 10 CGCDMO CSCC[C@H](C)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886530250 637557183 /nfs/dbraw/zinc/55/71/83/637557183.db2.gz HASVMIZVKMUCCH-VHSXEESVSA-N 1 1 257.374 3.324 20 10 CGCDMO CS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2c(O)cccc2F)C1 ZINC000886532666 637557884 /nfs/dbraw/zinc/55/78/84/637557884.db2.gz MPYBLEICHYNUSJ-GMTAPVOTSA-N 1 1 269.385 3.466 20 10 CGCDMO CCCC[N@@H+](CCO[C@H]1CC1(F)F)Cc1ccccc1O ZINC000852017655 637572058 /nfs/dbraw/zinc/57/20/58/637572058.db2.gz CGQLYORHNZBVDW-HNNXBMFYSA-N 1 1 299.361 3.419 20 10 CGCDMO C[C@@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1c(O)cccc1F ZINC000886587748 637593389 /nfs/dbraw/zinc/59/33/89/637593389.db2.gz DYSFFVSWAZUJDC-UPJWGTAASA-N 1 1 281.371 3.387 20 10 CGCDMO COCCc1cc[nH+]c(N[C@@H](C)c2c(O)cccc2F)c1 ZINC000886609591 637603574 /nfs/dbraw/zinc/60/35/74/637603574.db2.gz WWWWUBXMSDDNRJ-NSHDSACASA-N 1 1 290.338 3.288 20 10 CGCDMO C[C@@H]([NH2+]CCCC1CCOCC1)c1c(O)cccc1F ZINC000886615902 637608624 /nfs/dbraw/zinc/60/86/24/637608624.db2.gz QERRVYXXQCNCIH-GFCCVEGCSA-N 1 1 281.371 3.389 20 10 CGCDMO C[C@H]([NH2+]CCCC1CCOCC1)c1c(O)cccc1F ZINC000886615903 637609396 /nfs/dbraw/zinc/60/93/96/637609396.db2.gz QERRVYXXQCNCIH-LBPRGKRZSA-N 1 1 281.371 3.389 20 10 CGCDMO Cc1cc(C)c(C[NH2+][C@@H](C)c2c(O)cccc2F)cn1 ZINC000886622192 637612626 /nfs/dbraw/zinc/61/26/26/637612626.db2.gz MMOAXVPDOZPFPQ-LBPRGKRZSA-N 1 1 274.339 3.394 20 10 CGCDMO CC[C@@H](COCC1CC1)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886636115 637621780 /nfs/dbraw/zinc/62/17/80/637621780.db2.gz GKMPGFYQVGARAK-YPMHNXCESA-N 1 1 281.371 3.387 20 10 CGCDMO C[C@@H]([NH2+][C@H](C)c1c(O)cccc1F)c1ccns1 ZINC000886643279 637623570 /nfs/dbraw/zinc/62/35/70/637623570.db2.gz PXHBGOJQTHTYGK-RKDXNWHRSA-N 1 1 266.341 3.400 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H](CCF)C1)CCC2 ZINC000853563991 637867546 /nfs/dbraw/zinc/86/75/46/637867546.db2.gz HSFCGGOZIFMXSB-CYBMUJFWSA-N 1 1 277.383 3.453 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H]3C[C@H]3C1)CCCC2 ZINC000853578847 637868863 /nfs/dbraw/zinc/86/88/63/637868863.db2.gz XRCPPKJOQNVCMP-GJZGRUSLSA-N 1 1 257.377 3.113 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)C[C@H]2CC2(C)C)c1O ZINC000853626629 637875702 /nfs/dbraw/zinc/87/57/02/637875702.db2.gz BYLVVWLAMFBNQQ-CYBMUJFWSA-N 1 1 263.381 3.187 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)C[C@@H]2CC2(C)C)c1O ZINC000853626630 637875762 /nfs/dbraw/zinc/87/57/62/637875762.db2.gz BYLVVWLAMFBNQQ-ZDUSSCGKSA-N 1 1 263.381 3.187 20 10 CGCDMO CC[C@H](NCC1([NH3+])CCCC1)c1ccc(N(C)C)cc1 ZINC000854222688 638026204 /nfs/dbraw/zinc/02/62/04/638026204.db2.gz KJTIULGNTQXMKU-INIZCTEOSA-N 1 1 275.440 3.065 20 10 CGCDMO CN(C)c1cc(F)c(C[NH2+]Cc2cccc(O)c2)cc1F ZINC000858120501 638636654 /nfs/dbraw/zinc/63/66/54/638636654.db2.gz GHBAMQMLEAWCSD-UHFFFAOYSA-N 1 1 292.329 3.026 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(Cl)ccc1[O-] ZINC000858490439 638741342 /nfs/dbraw/zinc/74/13/42/638741342.db2.gz HJQOQOXKQHKBRV-CHWSQXEVSA-N 1 1 296.842 3.428 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(Cl)ccc1[O-] ZINC000858490439 638741346 /nfs/dbraw/zinc/74/13/46/638741346.db2.gz HJQOQOXKQHKBRV-CHWSQXEVSA-N 1 1 296.842 3.428 20 10 CGCDMO C[C@@H]([NH2+]C[C@@]1(C)CCCCO1)c1c(O)cccc1F ZINC000927014540 638831738 /nfs/dbraw/zinc/83/17/38/638831738.db2.gz OHZGGUBSVMDVLX-IAQYHMDHSA-N 1 1 267.344 3.141 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H]2c2ccnn2C)cc1 ZINC000932264972 639305637 /nfs/dbraw/zinc/30/56/37/639305637.db2.gz LOMGTWNONUFORI-SFHVURJKSA-N 1 1 298.434 3.213 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C)C2)c1O ZINC000040719058 639896413 /nfs/dbraw/zinc/89/64/13/639896413.db2.gz QRYLSSYQWGRCNR-VIFPVBQESA-N 1 1 267.756 3.090 20 10 CGCDMO CCO[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000155473703 639937464 /nfs/dbraw/zinc/93/74/64/639937464.db2.gz NLJBPHOPPRQDNI-ZDUSSCGKSA-N 1 1 269.772 3.047 20 10 CGCDMO Oc1c(F)cccc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000158676489 640014694 /nfs/dbraw/zinc/01/46/94/640014694.db2.gz GEVTYEPZWZYYGZ-OAHLLOKOSA-N 1 1 257.308 3.308 20 10 CGCDMO C[N@@H+](CCOCC1CC1)Cc1c(O)ccc2ccccc21 ZINC000088507504 640618916 /nfs/dbraw/zinc/61/89/16/640618916.db2.gz VDCJSDNYENNKBV-UHFFFAOYSA-N 1 1 285.387 3.404 20 10 CGCDMO CC[C@@H](C)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000246164507 640662169 /nfs/dbraw/zinc/66/21/69/640662169.db2.gz DTGUTOFEYVDUCN-GDBMZVCRSA-N 1 1 277.408 3.419 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCS[C@H](C)[C@H]2C)c1O ZINC000246422441 640673927 /nfs/dbraw/zinc/67/39/27/640673927.db2.gz IHTLUFLUDPHFLS-VXGBXAGGSA-N 1 1 281.421 3.035 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCc3ccccc3[C@H]2CO)cc1C ZINC000093455378 640772651 /nfs/dbraw/zinc/77/26/51/640772651.db2.gz NGKQGRNGFAROSU-GOSISDBHSA-N 1 1 297.398 3.101 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCOC[C@H]2C2CC2)cc1 ZINC000093645845 640778370 /nfs/dbraw/zinc/77/83/70/640778370.db2.gz FUITVGLTRSFSBR-SFHVURJKSA-N 1 1 288.435 3.144 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(F)cc1 ZINC001252850022 806130674 /nfs/dbraw/zinc/13/06/74/806130674.db2.gz OQOAUJJRMHRANU-QGZVFWFLSA-N 1 1 289.350 3.087 20 10 CGCDMO Oc1c(C[NH2+][C@H]2CCSC2)cc(Cl)c2cccnc12 ZINC001255270721 806588524 /nfs/dbraw/zinc/58/85/24/806588524.db2.gz KSVFTNUZWZZCAV-JTQLQIEISA-N 1 1 294.807 3.189 20 10 CGCDMO CC[NH+](CC)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000037322554 798866470 /nfs/dbraw/zinc/86/64/70/798866470.db2.gz UTZCTXBUEWGZJM-UHFFFAOYSA-N 1 1 255.745 3.090 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)CC2CC2)c1O ZINC000037925868 798879309 /nfs/dbraw/zinc/87/93/09/798879309.db2.gz WNORWRLMMRJUSK-UHFFFAOYSA-N 1 1 267.756 3.090 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CC2CC2)c1O ZINC000037925868 798879317 /nfs/dbraw/zinc/87/93/17/798879317.db2.gz WNORWRLMMRJUSK-UHFFFAOYSA-N 1 1 267.756 3.090 20 10 CGCDMO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000045723063 798891615 /nfs/dbraw/zinc/89/16/15/798891615.db2.gz JCLSTNAQDAFEBJ-NEPJUHHUSA-N 1 1 293.407 3.005 20 10 CGCDMO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000045723063 798891620 /nfs/dbraw/zinc/89/16/20/798891620.db2.gz JCLSTNAQDAFEBJ-NEPJUHHUSA-N 1 1 293.407 3.005 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c1O ZINC000132374964 799030796 /nfs/dbraw/zinc/03/07/96/799030796.db2.gz YEDOJHPOOKVNGV-ZIAGYGMSSA-N 1 1 275.392 3.413 20 10 CGCDMO C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(Br)c2O)C1 ZINC000161296437 799078907 /nfs/dbraw/zinc/07/89/07/799078907.db2.gz RMSZWHDIHKMYFU-ZJUUUORDSA-N 1 1 284.197 3.385 20 10 CGCDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000161296437 799078915 /nfs/dbraw/zinc/07/89/15/799078915.db2.gz RMSZWHDIHKMYFU-ZJUUUORDSA-N 1 1 284.197 3.385 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H]2CC(C)C)c1 ZINC000396927826 799511043 /nfs/dbraw/zinc/51/10/43/799511043.db2.gz VYUPLZWUUVTNMZ-AWEZNQCLSA-N 1 1 263.381 3.411 20 10 CGCDMO CCOc1cccc(C[N@H+]2C[C@@H](C)C[C@@H]2CC)c1O ZINC000399608847 799539850 /nfs/dbraw/zinc/53/98/50/799539850.db2.gz PZOSTCGGDBSRMK-JSGCOSHPSA-N 1 1 263.381 3.411 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cccc(C)c2O)[C@H](CC)CO1 ZINC000403890108 799571979 /nfs/dbraw/zinc/57/19/79/799571979.db2.gz WMJCAHRGNIPWQP-HUUCEWRRSA-N 1 1 263.381 3.090 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@H](OC)CC[C@@H]2C)c1O ZINC000687207167 799737635 /nfs/dbraw/zinc/73/76/35/799737635.db2.gz GEIOILOXJQAYFI-GXFFZTMASA-N 1 1 299.798 3.054 20 10 CGCDMO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1cscn1 ZINC000697917461 799851245 /nfs/dbraw/zinc/85/12/45/799851245.db2.gz NRMKJRGBJWMSHK-MRVPVSSYSA-N 1 1 268.769 3.353 20 10 CGCDMO C[C@@H]([NH2+]CC[C@H]1CCSC1)c1ccc(F)cc1O ZINC000704791468 799941332 /nfs/dbraw/zinc/94/13/32/799941332.db2.gz UVIIJNBVRCLKBX-MNOVXSKESA-N 1 1 269.385 3.325 20 10 CGCDMO CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)C1CCC1 ZINC000706723597 799966235 /nfs/dbraw/zinc/96/62/35/799966235.db2.gz OZROIXJLTVRGMM-UHFFFAOYSA-N 1 1 265.328 3.108 20 10 CGCDMO CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)C1CCC1 ZINC000706723597 799966236 /nfs/dbraw/zinc/96/62/36/799966236.db2.gz OZROIXJLTVRGMM-UHFFFAOYSA-N 1 1 265.328 3.108 20 10 CGCDMO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708435308 799988199 /nfs/dbraw/zinc/98/81/99/799988199.db2.gz ZLUCDVHUVLSXDZ-GFCCVEGCSA-N 1 1 295.251 3.445 20 10 CGCDMO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708435308 799988202 /nfs/dbraw/zinc/98/82/02/799988202.db2.gz ZLUCDVHUVLSXDZ-GFCCVEGCSA-N 1 1 295.251 3.445 20 10 CGCDMO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708435308 799988204 /nfs/dbraw/zinc/98/82/04/799988204.db2.gz ZLUCDVHUVLSXDZ-GFCCVEGCSA-N 1 1 295.251 3.445 20 10 CGCDMO CCOC[C@@H]1CCCC[N@H+]1Cc1cccc(CC)c1O ZINC000709322254 800006738 /nfs/dbraw/zinc/00/67/38/800006738.db2.gz XCPZXQOMYOODES-INIZCTEOSA-N 1 1 277.408 3.346 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1ccc(F)cc1O ZINC000711470751 800061176 /nfs/dbraw/zinc/06/11/76/800061176.db2.gz DFLHBLRVBBKJLJ-YPMHNXCESA-N 1 1 279.355 3.284 20 10 CGCDMO C[C@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)c1ccc(F)cc1O ZINC000717274612 800198918 /nfs/dbraw/zinc/19/89/18/800198918.db2.gz SAMUZXVHLVROTG-WCQYABFASA-N 1 1 281.371 3.387 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1N(C)C)c1ccc(F)cc1O ZINC001117113492 802434220 /nfs/dbraw/zinc/43/42/20/802434220.db2.gz VUOCKUBHICHKDB-JYJNAYRXSA-N 1 1 294.414 3.445 20 10 CGCDMO COc1ccc(C[N@H+]2CC[C@H](CC(C)C)C2)c(O)c1OC ZINC001120018109 802725454 /nfs/dbraw/zinc/72/54/54/802725454.db2.gz MJUJXNOQSSTKFI-CYBMUJFWSA-N 1 1 293.407 3.277 20 10 CGCDMO CCc1ccc([C@H]2C[N@@H+](Cc3ccc(N)cc3)CCO2)cc1 ZINC001120371158 802742781 /nfs/dbraw/zinc/74/27/81/802742781.db2.gz SPAHVHZTOKVMOC-LJQANCHMSA-N 1 1 296.414 3.405 20 10 CGCDMO CC[N@@H+](Cc1cnc2c(C)cccn12)Cc1ccccc1O ZINC001136965427 803663681 /nfs/dbraw/zinc/66/36/81/803663681.db2.gz OKVFTHQYXBWZEK-UHFFFAOYSA-N 1 1 295.386 3.370 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001137832785 803778613 /nfs/dbraw/zinc/77/86/13/803778613.db2.gz HQUIPPABRPNURK-AOOOYVTPSA-N 1 1 271.282 3.008 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001137832785 803778617 /nfs/dbraw/zinc/77/86/17/803778617.db2.gz HQUIPPABRPNURK-AOOOYVTPSA-N 1 1 271.282 3.008 20 10 CGCDMO Cc1cc(C[N@H+](C2CC2)C2COC2)c(C)n1-c1ccccc1 ZINC001137859387 803787258 /nfs/dbraw/zinc/78/72/58/803787258.db2.gz WFVFTGIRLMBGSG-UHFFFAOYSA-N 1 1 296.414 3.457 20 10 CGCDMO Cc1cc(C[N@@H+](C2CC2)C2COC2)c(C)n1-c1ccccc1 ZINC001137859387 803787265 /nfs/dbraw/zinc/78/72/65/803787265.db2.gz WFVFTGIRLMBGSG-UHFFFAOYSA-N 1 1 296.414 3.457 20 10 CGCDMO Cc1c(C[N@@H+]2CCc3ncccc3C2)c2ccccc2n1C ZINC001138256864 803881605 /nfs/dbraw/zinc/88/16/05/803881605.db2.gz NLZYPOWCXVMBHD-UHFFFAOYSA-N 1 1 291.398 3.440 20 10 CGCDMO Cc1c(C[N@H+]2CCc3ncccc3C2)c2ccccc2n1C ZINC001138256864 803881609 /nfs/dbraw/zinc/88/16/09/803881609.db2.gz NLZYPOWCXVMBHD-UHFFFAOYSA-N 1 1 291.398 3.440 20 10 CGCDMO Cc1c(C[N@@H+]2CCC[C@H]2CN(C)C)c2ccccc2n1C ZINC001138256577 803882038 /nfs/dbraw/zinc/88/20/38/803882038.db2.gz BIKSRARSLMSFLS-HNNXBMFYSA-N 1 1 285.435 3.013 20 10 CGCDMO Cc1c(CN2CCC[C@H]2C[NH+](C)C)c2ccccc2n1C ZINC001138256577 803882049 /nfs/dbraw/zinc/88/20/49/803882049.db2.gz BIKSRARSLMSFLS-HNNXBMFYSA-N 1 1 285.435 3.013 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1ccc(O)cc1OC ZINC001139143378 804136942 /nfs/dbraw/zinc/13/69/42/804136942.db2.gz PWHHJKUOKOCIBW-UHFFFAOYSA-N 1 1 287.359 3.129 20 10 CGCDMO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccc(=O)[nH]c1 ZINC001139468501 804192606 /nfs/dbraw/zinc/19/26/06/804192606.db2.gz FQNAZGHRGZDYQO-UHFFFAOYSA-N 1 1 297.402 3.019 20 10 CGCDMO CC[N@@H+](Cc1cc(Cl)ccn1)Cc1ccccc1O ZINC001139566081 804210233 /nfs/dbraw/zinc/21/02/33/804210233.db2.gz PFEPFYAGCWPIQI-UHFFFAOYSA-N 1 1 276.767 3.463 20 10 CGCDMO CN(C)c1ccc(CN[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc1 ZINC001246307900 804272001 /nfs/dbraw/zinc/27/20/01/804272001.db2.gz FLYWXVXOYCBNKP-NVXWUHKLSA-N 1 1 289.467 3.009 20 10 CGCDMO CC[N@@H+](Cc1cccnc1)Cc1c(C)ccc(C)c1O ZINC001140182187 804396472 /nfs/dbraw/zinc/39/64/72/804396472.db2.gz JWGGENWSUHHNDX-UHFFFAOYSA-N 1 1 270.376 3.426 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@H](COCC3CC3)C2)c1O ZINC001140183328 804396808 /nfs/dbraw/zinc/39/68/08/804396808.db2.gz CDXYTTARBIGOEG-INIZCTEOSA-N 1 1 289.419 3.258 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H](F)CC1 ZINC001140337742 804418135 /nfs/dbraw/zinc/41/81/35/804418135.db2.gz BYKWGCPDBKUACN-SNVBAGLBSA-N 1 1 257.736 3.370 20 10 CGCDMO Oc1cccc2c1CC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140461671 804441439 /nfs/dbraw/zinc/44/14/39/804441439.db2.gz QCOORSLNJXDYEF-UHFFFAOYSA-N 1 1 289.762 3.310 20 10 CGCDMO COCC[C@H]1CCCC[N@H+]1Cc1cc(C)ccc1O ZINC001140621025 804476510 /nfs/dbraw/zinc/47/65/10/804476510.db2.gz MLAJFQLSXFMDRX-OAHLLOKOSA-N 1 1 263.381 3.092 20 10 CGCDMO CC[C@@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140661590 804485461 /nfs/dbraw/zinc/48/54/61/804485461.db2.gz KNELXFIGLQVTJK-OAHLLOKOSA-N 1 1 292.398 3.037 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1F)C1CCCC1 ZINC001140661677 804486234 /nfs/dbraw/zinc/48/62/34/804486234.db2.gz NURJYDUPVKDSCX-UHFFFAOYSA-N 1 1 292.398 3.037 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c1O ZINC001140745741 804503598 /nfs/dbraw/zinc/50/35/98/804503598.db2.gz MZXXXSARPLQWRX-MRXNPFEDSA-N 1 1 297.398 3.471 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CC[C@@H]2c2ccccc2)c1O ZINC001140749271 804504413 /nfs/dbraw/zinc/50/44/13/804504413.db2.gz UWIWNSPJVZPCEM-OAHLLOKOSA-N 1 1 269.344 3.353 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1O ZINC001140747367 804504893 /nfs/dbraw/zinc/50/48/93/804504893.db2.gz AJIFLWQZOOKUPC-TZMCWYRMSA-N 1 1 261.365 3.171 20 10 CGCDMO Cc1c(O)ccc(C[N@@H+](C)Cc2ccc(Cl)nc2)c1O ZINC001140749332 804505018 /nfs/dbraw/zinc/50/50/18/804505018.db2.gz VUZZCOLGQBTHKI-UHFFFAOYSA-N 1 1 292.766 3.087 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](F)C[C@H]2C)c(O)c1 ZINC001140850321 804534005 /nfs/dbraw/zinc/53/40/05/804534005.db2.gz IUZYHAHAFHVCRX-TZMCWYRMSA-N 1 1 280.387 3.171 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c(Cl)c1 ZINC001140922554 804549403 /nfs/dbraw/zinc/54/94/03/804549403.db2.gz ULBJNMJEIVLROC-CTYIDZIISA-N 1 1 296.842 3.141 20 10 CGCDMO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(N(C)C)cc1Cl ZINC001140921639 804549669 /nfs/dbraw/zinc/54/96/69/804549669.db2.gz LHQRAJBEVMIPFM-PWSUYJOCSA-N 1 1 270.779 3.338 20 10 CGCDMO C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(N(C)C)cc1Cl ZINC001140921639 804549672 /nfs/dbraw/zinc/54/96/72/804549672.db2.gz LHQRAJBEVMIPFM-PWSUYJOCSA-N 1 1 270.779 3.338 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@@H](Oc3ncccc3C)C2)c(O)c1 ZINC001140953783 804558683 /nfs/dbraw/zinc/55/86/83/804558683.db2.gz GQWBKZWNPONVOU-MRXNPFEDSA-N 1 1 298.386 3.057 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CCSc3ccccc3C2)c1 ZINC001141162607 804601607 /nfs/dbraw/zinc/60/16/07/804601607.db2.gz XAQJUEPZULRQOY-UHFFFAOYSA-N 1 1 287.384 3.206 20 10 CGCDMO C[N@@H+](CC/C=C/c1cccnc1)Cc1cc(O)ccc1O ZINC001141162198 804601708 /nfs/dbraw/zinc/60/17/08/804601708.db2.gz MFRKJNQXFVDXPB-GORDUTHDSA-N 1 1 284.359 3.028 20 10 CGCDMO COCC[C@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142520061 804729956 /nfs/dbraw/zinc/72/99/56/804729956.db2.gz AYDTZYJXDHDADT-GFCCVEGCSA-N 1 1 285.334 3.061 20 10 CGCDMO COCC[C@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142520061 804729961 /nfs/dbraw/zinc/72/99/61/804729961.db2.gz AYDTZYJXDHDADT-GFCCVEGCSA-N 1 1 285.334 3.061 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC001142520474 804730436 /nfs/dbraw/zinc/73/04/36/804730436.db2.gz KCTOUYWOUCEQIH-OAHLLOKOSA-N 1 1 290.313 3.403 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC001142520474 804730442 /nfs/dbraw/zinc/73/04/42/804730442.db2.gz KCTOUYWOUCEQIH-OAHLLOKOSA-N 1 1 290.313 3.403 20 10 CGCDMO C[N@H+](Cc1cccs1)Cc1cc(F)c(F)cc1O ZINC001142521124 804731260 /nfs/dbraw/zinc/73/12/60/804731260.db2.gz YJQPDNBLHQTMOZ-UHFFFAOYSA-N 1 1 269.316 3.364 20 10 CGCDMO C[N@@H+](Cc1cccs1)Cc1cc(F)c(F)cc1O ZINC001142521124 804731266 /nfs/dbraw/zinc/73/12/66/804731266.db2.gz YJQPDNBLHQTMOZ-UHFFFAOYSA-N 1 1 269.316 3.364 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)CCCO1 ZINC001143104363 804801443 /nfs/dbraw/zinc/80/14/43/804801443.db2.gz SDTUBTFFNDMFCF-CYBMUJFWSA-N 1 1 277.408 3.301 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CC[C@@H](F)C2)c1O ZINC001143103897 804802648 /nfs/dbraw/zinc/80/26/48/804802648.db2.gz MRWNVADSRZFZCG-GFCCVEGCSA-N 1 1 251.345 3.234 20 10 CGCDMO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143111480 804803140 /nfs/dbraw/zinc/80/31/40/804803140.db2.gz BYOBOSKMLLTJMT-OCCSQVGLSA-N 1 1 277.408 3.035 20 10 CGCDMO CCO[C@@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143112095 804804048 /nfs/dbraw/zinc/80/40/48/804804048.db2.gz JZYJKILTQZHNDK-CQSZACIVSA-N 1 1 277.408 3.301 20 10 CGCDMO Cc1ccc([C@@H]2CCC[N@H+]2Cc2c(O)cc(O)cc2O)cc1 ZINC001144509016 804998030 /nfs/dbraw/zinc/99/80/30/804998030.db2.gz HRRJQJIVSFIWND-INIZCTEOSA-N 1 1 299.370 3.449 20 10 CGCDMO CCN(Cc1ccccc1O)c1[nH+]cnc2[nH]c(C)c(C)c21 ZINC001154889126 805504788 /nfs/dbraw/zinc/50/47/88/805504788.db2.gz PDOURWXMGXYKHM-UHFFFAOYSA-N 1 1 296.374 3.307 20 10 CGCDMO Nc1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC001262487206 807867605 /nfs/dbraw/zinc/86/76/05/807867605.db2.gz NMVBBNYYFYJSLK-MRXNPFEDSA-N 1 1 253.349 3.001 20 10 CGCDMO Oc1cccc2c1C[N@H+]([C@@H]1CSc3ccccc3C1)CC2 ZINC001172204371 808197296 /nfs/dbraw/zinc/19/72/96/808197296.db2.gz ARMQFPNUMIECBF-HNNXBMFYSA-N 1 1 297.423 3.467 20 10 CGCDMO CC(C)OCC[C@H](C)[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001172456259 808326515 /nfs/dbraw/zinc/32/65/15/808326515.db2.gz NBRCZHPTTPRDSM-ZDUSSCGKSA-N 1 1 293.407 3.050 20 10 CGCDMO COc1ccc(N2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)cc1 ZINC001276926459 809045406 /nfs/dbraw/zinc/04/54/06/809045406.db2.gz DNTNMSVIWZLMNM-KBXCAEBGSA-N 1 1 286.419 3.148 20 10 CGCDMO COCC1([N@@H+](C)Cc2ccc(N(C)C)c(C)c2)CCC1 ZINC001175965724 809584458 /nfs/dbraw/zinc/58/44/58/809584458.db2.gz QDARNYMLFSDATO-UHFFFAOYSA-N 1 1 276.424 3.062 20 10 CGCDMO COCC[N@@H+](CCc1ccccc1)Cc1ccc(C)cc1O ZINC001179942502 809961535 /nfs/dbraw/zinc/96/15/35/809961535.db2.gz RDGJWQTUEQMRED-UHFFFAOYSA-N 1 1 299.414 3.392 20 10 CGCDMO C[C@@H]1C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CC(C)(C)O1 ZINC001180039092 809968330 /nfs/dbraw/zinc/96/83/30/809968330.db2.gz LHKHVBGYPRNPRB-IDTUSYRASA-N 1 1 288.435 3.265 20 10 CGCDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(C(C)C)ccc1O ZINC001180091936 809972769 /nfs/dbraw/zinc/97/27/69/809972769.db2.gz HBYLVYPOAAXRAQ-HNNXBMFYSA-N 1 1 291.391 3.043 20 10 CGCDMO CC1(C)CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001180906977 810026992 /nfs/dbraw/zinc/02/69/92/810026992.db2.gz OGQWSKAVPWZQKG-UHFFFAOYSA-N 1 1 255.308 3.292 20 10 CGCDMO CC1(C)CCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001180906977 810026996 /nfs/dbraw/zinc/02/69/96/810026996.db2.gz OGQWSKAVPWZQKG-UHFFFAOYSA-N 1 1 255.308 3.292 20 10 CGCDMO CC1(C)CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001180906977 810027002 /nfs/dbraw/zinc/02/70/02/810027002.db2.gz OGQWSKAVPWZQKG-UHFFFAOYSA-N 1 1 255.308 3.292 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H]2C(C)(C)OC)c1O ZINC001203609041 812405323 /nfs/dbraw/zinc/40/53/23/812405323.db2.gz GXWYSHYHNBLTTG-OAHLLOKOSA-N 1 1 293.407 3.180 20 10 CGCDMO Oc1ccc(C[N@H+]2CCCC3(CC(F)C3)CC2)cc1O ZINC001203878446 812478524 /nfs/dbraw/zinc/47/85/24/812478524.db2.gz AAWRQGLIURQRGA-UHFFFAOYSA-N 1 1 279.355 3.202 20 10 CGCDMO CC[N@@H+](Cc1ccc(O)c(OC)c1)Cc1ccccc1O ZINC001204118353 812551553 /nfs/dbraw/zinc/55/15/53/812551553.db2.gz ODPVUXRBOKOQGU-UHFFFAOYSA-N 1 1 287.359 3.129 20 10 CGCDMO Cc1ccc(C[N@H+]2CCc3cccc(O)c3C2)cc1 ZINC001204174276 812565132 /nfs/dbraw/zinc/56/51/32/812565132.db2.gz MNDCNIRGLGKLIU-UHFFFAOYSA-N 1 1 253.345 3.259 20 10 CGCDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204232879 812579813 /nfs/dbraw/zinc/57/98/13/812579813.db2.gz LBLPEIWNCSEPJM-GDBMZVCRSA-N 1 1 298.430 3.251 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)cc(O)c1O ZINC001204345128 812615619 /nfs/dbraw/zinc/61/56/19/812615619.db2.gz MIFUPRUBNCFDAQ-KGLIPLIRSA-N 1 1 291.391 3.261 20 10 CGCDMO CC[N@@H+](Cc1cccs1)Cc1cc(O)c(O)c(OC)c1 ZINC001204348623 812618274 /nfs/dbraw/zinc/61/82/74/812618274.db2.gz FQZOBDHPJQELCC-UHFFFAOYSA-N 1 1 293.388 3.190 20 10 CGCDMO CCC[C@H](C)[N@@H+](C)Cc1c(C)cc(OC)cc1O ZINC001204888168 812765311 /nfs/dbraw/zinc/76/53/11/812765311.db2.gz DZCALNUTFFCMIJ-LBPRGKRZSA-N 1 1 251.370 3.330 20 10 CGCDMO C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C[C@@H]1F ZINC001204983932 812810773 /nfs/dbraw/zinc/81/07/73/812810773.db2.gz DOJVGXSFTZEVAG-CABZTGNLSA-N 1 1 257.736 3.226 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C[C@@H]1F ZINC001204983932 812810782 /nfs/dbraw/zinc/81/07/82/812810782.db2.gz DOJVGXSFTZEVAG-CABZTGNLSA-N 1 1 257.736 3.226 20 10 CGCDMO CC1(C)C[C@H]([NH2+]Cc2cc(F)c(F)cc2O)C(C)(C)O1 ZINC001205008657 812821887 /nfs/dbraw/zinc/82/18/87/812821887.db2.gz WLPSFBZRCYAUNZ-ZDUSSCGKSA-N 1 1 285.334 3.106 20 10 CGCDMO CC[C@@]1(C)COCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC001205474841 812989602 /nfs/dbraw/zinc/98/96/02/812989602.db2.gz DWRQUKUNWZMHCW-HNNXBMFYSA-N 1 1 283.799 3.355 20 10 CGCDMO CC[C@@]1(C)COCC[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC001205474841 812989607 /nfs/dbraw/zinc/98/96/07/812989607.db2.gz DWRQUKUNWZMHCW-HNNXBMFYSA-N 1 1 283.799 3.355 20 10 CGCDMO Cc1noc([C@H](C)[NH2+]Cc2cc(C(C)C)ccc2O)n1 ZINC001205650104 813040811 /nfs/dbraw/zinc/04/08/11/813040811.db2.gz DFVJVBYGDVVWDY-JTQLQIEISA-N 1 1 275.352 3.058 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC001207167222 813502446 /nfs/dbraw/zinc/50/24/46/813502446.db2.gz KLWFOMYRCVGVSZ-TXEJJXNPSA-N 1 1 263.768 3.444 20 10 CGCDMO Cc1ccc(C[N@H+]2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)c(O)c1 ZINC001207691468 813636341 /nfs/dbraw/zinc/63/63/41/813636341.db2.gz KZMRKWMFFVOUQO-JXSMBQFASA-N 1 1 269.388 3.345 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@H](O)C2)cc1 ZINC001209517030 814070925 /nfs/dbraw/zinc/07/09/25/814070925.db2.gz WWLRGNYDHQYURD-SFHVURJKSA-N 1 1 284.403 3.051 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)cc1 ZINC001209516173 814071066 /nfs/dbraw/zinc/07/10/66/814071066.db2.gz BOUUDOPPTLAOHE-LIRRHRJNSA-N 1 1 298.430 3.297 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC001209516997 814071115 /nfs/dbraw/zinc/07/11/15/814071115.db2.gz WGHTUJMETAUHGG-HDICACEKSA-N 1 1 296.414 3.172 20 10 CGCDMO Cc1cccc(Nc2cc[nH+]cc2C(F)(F)F)c1O ZINC001210186765 814326172 /nfs/dbraw/zinc/32/61/72/814326172.db2.gz SFGKDJBOGLSTKO-UHFFFAOYSA-N 1 1 268.238 3.280 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCCC2(COC2)C1 ZINC001231586386 818130364 /nfs/dbraw/zinc/13/03/64/818130364.db2.gz GJFUMISQYJCHRN-UHFFFAOYSA-N 1 1 283.371 3.158 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001231590686 818131615 /nfs/dbraw/zinc/13/16/15/818131615.db2.gz KRXMMLQJTRRPOI-KSSFIOAISA-N 1 1 283.371 3.156 20 10 CGCDMO COc1cc(C[N@@H+](C)CC2CCCCC2)c(O)cc1O ZINC001231638404 818144127 /nfs/dbraw/zinc/14/41/27/818144127.db2.gz ZLHKBOMBLZHHQF-UHFFFAOYSA-N 1 1 279.380 3.119 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC3(CC3)C2)cc1Cl ZINC001231868530 818191773 /nfs/dbraw/zinc/19/17/73/818191773.db2.gz VQCOLAKXZQUKLL-UHFFFAOYSA-N 1 1 251.757 3.340 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)cc1Cl ZINC001231868825 818193129 /nfs/dbraw/zinc/19/31/29/818193129.db2.gz ZBCZDJTXSLNATM-MLGOLLRUSA-N 1 1 295.810 3.355 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CCC[C@H]1O ZINC001231879466 818199147 /nfs/dbraw/zinc/19/91/47/818199147.db2.gz DFOBDEGHGVBPCJ-CXAGYDPISA-N 1 1 285.387 3.138 20 10 CGCDMO Oc1c(C[N@@H+]2C[C@@H](F)C[C@H]2CF)ccc2ccccc21 ZINC001231879545 818199957 /nfs/dbraw/zinc/19/99/57/818199957.db2.gz HZAKNDWXUGKABZ-KBPBESRZSA-N 1 1 277.314 3.427 20 10 CGCDMO Oc1c(C[N@H+]2C[C@@H](F)C[C@H]2CF)ccc2ccccc21 ZINC001231879545 818199959 /nfs/dbraw/zinc/19/99/59/818199959.db2.gz HZAKNDWXUGKABZ-KBPBESRZSA-N 1 1 277.314 3.427 20 10 CGCDMO CC[C@@H]1CCC[N@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232263116 818298156 /nfs/dbraw/zinc/29/81/56/818298156.db2.gz HLPYAJJUCFUTTR-SNVBAGLBSA-N 1 1 255.745 3.126 20 10 CGCDMO Cc1ccccc1C[N@H+](C)Cc1ccc(N(C)C)cc1O ZINC001232838896 818453168 /nfs/dbraw/zinc/45/31/68/818453168.db2.gz KCCLQQSLNKYAAQ-UHFFFAOYSA-N 1 1 284.403 3.399 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c(O)c1 ZINC001232840030 818453184 /nfs/dbraw/zinc/45/31/84/818453184.db2.gz KKPWAFQAOOARKD-CZUORRHYSA-N 1 1 274.408 3.223 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)c(O)c1 ZINC001232839224 818453423 /nfs/dbraw/zinc/45/34/23/818453423.db2.gz NLAQYNHTIUJNAU-KRWDZBQOSA-N 1 1 297.402 3.190 20 10 CGCDMO C[C@@]1(F)CCCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233073635 818516578 /nfs/dbraw/zinc/51/65/78/818516578.db2.gz BMVREFRAPZQAQG-CQSZACIVSA-N 1 1 273.298 3.385 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+](C)C2CC(F)(F)C2)c1O ZINC001233287204 818569775 /nfs/dbraw/zinc/56/97/75/818569775.db2.gz BKCNOTLFWALKRT-UHFFFAOYSA-N 1 1 291.725 3.284 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC001233334284 818585421 /nfs/dbraw/zinc/58/54/21/818585421.db2.gz ANALTIHAEKXZNB-NSHDSACASA-N 1 1 290.313 3.055 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC001233334284 818585429 /nfs/dbraw/zinc/58/54/29/818585429.db2.gz ANALTIHAEKXZNB-NSHDSACASA-N 1 1 290.313 3.055 20 10 CGCDMO Oc1ccc(F)c(F)c1C[NH+]1CCCCCCC1 ZINC001233335023 818586882 /nfs/dbraw/zinc/58/68/82/818586882.db2.gz DSPCUOIADNHKLY-UHFFFAOYSA-N 1 1 255.308 3.437 20 10 CGCDMO C[C@@H]1CCC[N@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233726781 818692348 /nfs/dbraw/zinc/69/23/48/818692348.db2.gz HQRNYOOUFMXKCQ-SECBINFHSA-N 1 1 275.270 3.275 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2O)CC[C@@H]1O ZINC001234998162 818971826 /nfs/dbraw/zinc/97/18/26/818971826.db2.gz GMVKOEOISFHBJQ-KDOFPFPSSA-N 1 1 297.398 3.262 20 10 CGCDMO C[C@@]1(O)CC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001235002926 818976313 /nfs/dbraw/zinc/97/63/13/818976313.db2.gz RYQXPWNTBIMRPB-GOSISDBHSA-N 1 1 283.371 3.016 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CCCC[C@H](O)C2)c(O)c1 ZINC001235676370 819136598 /nfs/dbraw/zinc/13/65/98/819136598.db2.gz RKMGKIUSULMADF-HNNXBMFYSA-N 1 1 277.408 3.037 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2O)[C@H](C)CO1 ZINC001235681000 819139450 /nfs/dbraw/zinc/13/94/50/819139450.db2.gz WNZQPPYDVDCTIQ-CHWSQXEVSA-N 1 1 277.408 3.299 20 10 CGCDMO CC(C)(C)c1ccc(C[N@@H+](C2CC2)C2COC2)c(O)c1 ZINC001235680598 819140191 /nfs/dbraw/zinc/14/01/91/819140191.db2.gz WFNBLYCAAIKTMV-UHFFFAOYSA-N 1 1 275.392 3.053 20 10 CGCDMO CC[N@H+](CCCN(C)C)Cc1ccc(C(C)(C)C)cc1O ZINC001235681739 819140554 /nfs/dbraw/zinc/14/05/54/819140554.db2.gz PUFVUHGBYSWMPA-UHFFFAOYSA-N 1 1 292.467 3.463 20 10 CGCDMO CC[N@@H+](CCCN(C)C)Cc1ccc(C(C)(C)C)cc1O ZINC001235681739 819140558 /nfs/dbraw/zinc/14/05/58/819140558.db2.gz PUFVUHGBYSWMPA-UHFFFAOYSA-N 1 1 292.467 3.463 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CC[C@@]3(CCCO3)C2)c(O)c1 ZINC001235683694 819141480 /nfs/dbraw/zinc/14/14/80/819141480.db2.gz TXULJALOBAWRRO-SFHVURJKSA-N 1 1 289.419 3.445 20 10 CGCDMO Nc1ccc(C[N@H+]2CCOC[C@H]2C2CCCCC2)cc1 ZINC001236433276 819476637 /nfs/dbraw/zinc/47/66/37/819476637.db2.gz GMBWNPUITAUMHX-KRWDZBQOSA-N 1 1 274.408 3.050 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@](C)(F)CC2)cc1OC ZINC001236751303 819590313 /nfs/dbraw/zinc/59/03/13/819590313.db2.gz SZGUXRRHJZWCRX-MRXNPFEDSA-N 1 1 297.370 3.124 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](C)[C@@H](C)C2)cc1OC ZINC001236749054 819590534 /nfs/dbraw/zinc/59/05/34/819590534.db2.gz FLCBEUFHTATAHZ-OLZOCXBDSA-N 1 1 293.407 3.277 20 10 CGCDMO CCc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c(O)c1 ZINC001236783848 819593535 /nfs/dbraw/zinc/59/35/35/819593535.db2.gz OTQKGGSMMKZUNO-NSHDSACASA-N 1 1 269.335 3.432 20 10 CGCDMO CCO[C@@H]1CC[N@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236799619 819600514 /nfs/dbraw/zinc/60/05/14/819600514.db2.gz QDHIFBOPVDZLAB-SNVBAGLBSA-N 1 1 290.190 3.310 20 10 CGCDMO CCO[C@@H]1CC[N@@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236799619 819600516 /nfs/dbraw/zinc/60/05/16/819600516.db2.gz QDHIFBOPVDZLAB-SNVBAGLBSA-N 1 1 290.190 3.310 20 10 CGCDMO CN1C[C@H]2[C@H](C1)CCC[N@H+]2Cc1cc2ccccc2cc1O ZINC001236833172 819613235 /nfs/dbraw/zinc/61/32/35/819613235.db2.gz PDXBOYOGDWLDRE-WMZOPIPTSA-N 1 1 296.414 3.071 20 10 CGCDMO C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cc2ccccc2cc1O ZINC001236833172 819613238 /nfs/dbraw/zinc/61/32/38/819613238.db2.gz PDXBOYOGDWLDRE-WMZOPIPTSA-N 1 1 296.414 3.071 20 10 CGCDMO C[N@@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cc2ccccc2cc1O ZINC001236833172 819613243 /nfs/dbraw/zinc/61/32/43/819613243.db2.gz PDXBOYOGDWLDRE-WMZOPIPTSA-N 1 1 296.414 3.071 20 10 CGCDMO CC(=O)[C@H]1CCCC[N@H+]1Cc1cc2ccccc2cc1O ZINC001236837014 819617401 /nfs/dbraw/zinc/61/74/01/819617401.db2.gz MALYHHLMIGAVGV-QGZVFWFLSA-N 1 1 283.371 3.489 20 10 CGCDMO CC1(C)COCC[N@H+]1Cc1cc2ccccc2cc1O ZINC001236842780 819618574 /nfs/dbraw/zinc/61/85/74/819618574.db2.gz YHETZKLSSSLTFC-UHFFFAOYSA-N 1 1 271.360 3.156 20 10 CGCDMO CC(C)c1ccc(C[NH+]2CCN(C(C)(C)C)CC2)c(O)c1 ZINC001237048814 819652575 /nfs/dbraw/zinc/65/25/75/819652575.db2.gz IRPYWMSZPDTZID-UHFFFAOYSA-N 1 1 290.451 3.432 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](F)C2)c(O)c1 ZINC001237054377 819654403 /nfs/dbraw/zinc/65/44/03/819654403.db2.gz XIOJHZHUADVKLR-CQSZACIVSA-N 1 1 251.345 3.450 20 10 CGCDMO C[N@@H+](Cc1ccccn1)Cc1cc(C(F)(F)F)ccc1O ZINC001237138249 819674602 /nfs/dbraw/zinc/67/46/02/819674602.db2.gz WFKNIRMXNMIJIR-UHFFFAOYSA-N 1 1 296.292 3.438 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC001237483256 819761078 /nfs/dbraw/zinc/76/10/78/819761078.db2.gz PEVZONHXCMKGKK-SFHVURJKSA-N 1 1 296.414 3.189 20 10 CGCDMO Cc1cccc(O)c1C[NH+]1CC(Oc2ccc(F)cc2)C1 ZINC001237486860 819762299 /nfs/dbraw/zinc/76/22/99/819762299.db2.gz CYOLFKZFOWPPDN-UHFFFAOYSA-N 1 1 287.334 3.103 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCOC2(CCCCC2)C1 ZINC001237493077 819763918 /nfs/dbraw/zinc/76/39/18/819763918.db2.gz VKYJZVJKVQGHTK-UHFFFAOYSA-N 1 1 275.392 3.236 20 10 CGCDMO CCC(CC)[N@@H+](C)Cc1cc(OC)cc(OC)c1O ZINC001237679562 819807414 /nfs/dbraw/zinc/80/74/14/819807414.db2.gz WLTWKGMMLSHQRW-UHFFFAOYSA-N 1 1 267.369 3.030 20 10 CGCDMO CC[N@H+]1CCN(Cc2cc(Cl)cc(C)c2O)C(C)(C)C1 ZINC001237690975 819808224 /nfs/dbraw/zinc/80/82/24/819808224.db2.gz VXVWOARMOBVEEK-UHFFFAOYSA-N 1 1 296.842 3.270 20 10 CGCDMO CC[N@H+](CCN1CCCC1)Cc1cc(Cl)cc(C)c1O ZINC001237687862 819808802 /nfs/dbraw/zinc/80/88/02/819808802.db2.gz WZOOWVOUBPNWHF-UHFFFAOYSA-N 1 1 296.842 3.272 20 10 CGCDMO CC[N@@H+](CCN1CCCC1)Cc1cc(Cl)cc(C)c1O ZINC001237687862 819808806 /nfs/dbraw/zinc/80/88/06/819808806.db2.gz WZOOWVOUBPNWHF-UHFFFAOYSA-N 1 1 296.842 3.272 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[NH+]1CC2CC(C2)C1 ZINC001237940686 819889062 /nfs/dbraw/zinc/88/90/62/819889062.db2.gz MZNLROJTRBOUSG-UHFFFAOYSA-N 1 1 255.720 3.027 20 10 CGCDMO CO[C@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237949415 819892667 /nfs/dbraw/zinc/89/26/67/819892667.db2.gz LKKRHESCKPYSKN-NSHDSACASA-N 1 1 287.762 3.186 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237949415 819892679 /nfs/dbraw/zinc/89/26/79/819892679.db2.gz LKKRHESCKPYSKN-NSHDSACASA-N 1 1 287.762 3.186 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c1O ZINC001238064486 819921196 /nfs/dbraw/zinc/92/11/96/819921196.db2.gz PMEQIKLKUOFNJK-CHWSQXEVSA-N 1 1 263.356 3.462 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CCC[C@@H](CF)C2)c1O ZINC001238062899 819921439 /nfs/dbraw/zinc/92/14/39/819921439.db2.gz UJKUSQUVOZOXHI-NSHDSACASA-N 1 1 255.308 3.021 20 10 CGCDMO Cc1cc(F)cc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)c1O ZINC001238057876 819921483 /nfs/dbraw/zinc/92/14/83/819921483.db2.gz PGIHUUGOTFLSEX-NOZJJQNGSA-N 1 1 255.308 3.020 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)Cc1cccnc1N(C)C ZINC001343222503 936491320 /nfs/dbraw/zinc/49/13/20/936491320.db2.gz KEQRDEVEFLIWRO-UHFFFAOYSA-N 1 1 299.418 3.265 20 10 CGCDMO Nc1ccc(C[N@@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC001352788990 937049622 /nfs/dbraw/zinc/04/96/22/937049622.db2.gz TVDVRWBVFRIKJB-UHFFFAOYSA-N 1 1 274.314 3.105 20 10 CGCDMO Nc1ccc(C[N@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC001352788990 937049624 /nfs/dbraw/zinc/04/96/24/937049624.db2.gz TVDVRWBVFRIKJB-UHFFFAOYSA-N 1 1 274.314 3.105 20 10 CGCDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(N)cc1 ZINC001356083739 927267159 /nfs/dbraw/zinc/26/71/59/927267159.db2.gz ZOCFERIOBCSISK-LBPRGKRZSA-N 1 1 256.349 3.167 20 10 CGCDMO CC[C@]1(CO)CCC[N@H+]1Cc1cc(C(C)C)ccc1O ZINC001462119702 937618652 /nfs/dbraw/zinc/61/86/52/937618652.db2.gz WSBIDKQGHZGCMV-QGZVFWFLSA-N 1 1 277.408 3.253 20 10 CGCDMO CC[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(N(C)C)cc1C ZINC001462415048 937639514 /nfs/dbraw/zinc/63/95/14/937639514.db2.gz NVJPGJCURBLYFK-INIZCTEOSA-N 1 1 290.451 3.450 20 10 CGCDMO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]Cc1cc(F)c(F)cc1O ZINC001462575422 937651306 /nfs/dbraw/zinc/65/13/06/937651306.db2.gz CGCLWELCIAGTNI-QCZKYFFMSA-N 1 1 267.319 3.052 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+][C@H]1CCCc2cccnc21 ZINC001462622923 937654632 /nfs/dbraw/zinc/65/46/32/937654632.db2.gz IGNCPRAXUMYZOE-AWEZNQCLSA-N 1 1 290.313 3.233 20 10 CGCDMO C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(Cl)cc2O)CCO1 ZINC001308685637 933158726 /nfs/dbraw/zinc/15/87/26/933158726.db2.gz XMVWCAQSUGVKON-VXGBXAGGSA-N 1 1 283.799 3.340 20 10 CGCDMO C[C@H]1CCSCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001308689650 933158857 /nfs/dbraw/zinc/15/88/57/933158857.db2.gz VRIAZCYYKYRFAJ-JTQLQIEISA-N 1 1 271.813 3.373 20 10 CGCDMO CCc1nc(C[NH2+]Cc2ccc3ccccc3c2O)co1 ZINC001308769103 933173724 /nfs/dbraw/zinc/17/37/24/933173724.db2.gz FDUOKNXIRHHOFS-UHFFFAOYSA-N 1 1 282.343 3.386 20 10 CGCDMO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(C)cc1O ZINC001308842737 933187577 /nfs/dbraw/zinc/18/75/77/933187577.db2.gz HZWORFCYMCNQNE-AWEZNQCLSA-N 1 1 293.407 3.253 20 10 CGCDMO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(C)cc1O ZINC001308842737 933187580 /nfs/dbraw/zinc/18/75/80/933187580.db2.gz HZWORFCYMCNQNE-AWEZNQCLSA-N 1 1 293.407 3.253 20 10 CGCDMO Nc1c(Cl)cccc1C[NH2+]Cc1c(O)cccc1F ZINC001308949258 933210190 /nfs/dbraw/zinc/21/01/90/933210190.db2.gz XHJCEVNJRAFSNI-UHFFFAOYSA-N 1 1 280.730 3.057 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001319681862 933912889 /nfs/dbraw/zinc/91/28/89/933912889.db2.gz LBFFJWUMDQQEDM-KBPBESRZSA-N 1 1 275.392 3.413 20 10 CGCDMO C[C@@H]([NH2+]Cc1c(F)cncc1F)c1ccc(N(C)C)cc1 ZINC001332899195 935496230 /nfs/dbraw/zinc/49/62/30/935496230.db2.gz ZDOGCXRUBZOXAL-LLVKDONJSA-N 1 1 291.345 3.277 20 10 CGCDMO Nc1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2F)cc1 ZINC001334753329 936112265 /nfs/dbraw/zinc/11/22/65/936112265.db2.gz CSQWNKQSDXUTRJ-IAGOWNOFSA-N 1 1 270.351 3.384 20 10 CGCDMO C[C@H]1[N@@H+](Cc2ccc(N3CCCC3)cc2)CCOC1(C)C ZINC001337041743 936234024 /nfs/dbraw/zinc/23/40/24/936234024.db2.gz BMPPOYPCFOWCTP-OAHLLOKOSA-N 1 1 288.435 3.286 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2ccc(N)cc2)C[C@H](c2ccsc2)O1 ZINC001337837579 936293595 /nfs/dbraw/zinc/29/35/95/936293595.db2.gz CSSWODQYULUJKH-MLGOLLRUSA-N 1 1 288.416 3.292 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N)cc2)C[C@H](c2ccsc2)O1 ZINC001337837579 936293599 /nfs/dbraw/zinc/29/35/99/936293599.db2.gz CSSWODQYULUJKH-MLGOLLRUSA-N 1 1 288.416 3.292 20 10 CGCDMO Cc1c2ccccc2n(C)c1CNC[C@@H]1CCCC[N@H+](C)C1 ZINC001474211043 937844322 /nfs/dbraw/zinc/84/43/22/937844322.db2.gz KGQPCBQZRCALGE-INIZCTEOSA-N 1 1 299.462 3.308 20 10 CGCDMO Cc1c2ccccc2n(C)c1CNC[C@@H]1CCCC[N@@H+](C)C1 ZINC001474211043 937844323 /nfs/dbraw/zinc/84/43/23/937844323.db2.gz KGQPCBQZRCALGE-INIZCTEOSA-N 1 1 299.462 3.308 20 10 CGCDMO CC1CC(C[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC001474219400 937844941 /nfs/dbraw/zinc/84/49/41/937844941.db2.gz AIMMEYZWXRHFLZ-UHFFFAOYSA-N 1 1 257.736 3.320 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC[C@H]2CSC)c(O)c1 ZINC001474310560 937850478 /nfs/dbraw/zinc/85/04/78/937850478.db2.gz MLIWJUVOOCQKDM-LBPRGKRZSA-N 1 1 281.421 3.037 20 10 CGCDMO Cc1ccc(C[N@H+](CCO)[C@@H](C)c2ccccc2)c(O)c1 ZINC001474335998 937852526 /nfs/dbraw/zinc/85/25/26/937852526.db2.gz OCWIVFPEBWXHDP-HNNXBMFYSA-N 1 1 285.387 3.256 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCCC3(CC3)C2)c(O)c1 ZINC001474465103 937861692 /nfs/dbraw/zinc/86/16/92/937861692.db2.gz KBBAODCHVFYQBI-UHFFFAOYSA-N 1 1 261.365 3.085 20 10 CGCDMO CCCC[N@@H+](CCCC(=O)OCC)Cc1ccccc1O ZINC001559790009 938235841 /nfs/dbraw/zinc/23/58/41/938235841.db2.gz FONRSALHHGGCRW-UHFFFAOYSA-N 1 1 293.407 3.338 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)o1 ZINC001560627206 938267107 /nfs/dbraw/zinc/26/71/07/938267107.db2.gz SKVFWVCSDYBLNH-UHFFFAOYSA-N 1 1 288.391 3.376 20 10 CGCDMO Cc1ccc(C[N@H+](C)CCN(C)c2ccccc2)c(O)c1 ZINC001560696484 938270736 /nfs/dbraw/zinc/27/07/36/938270736.db2.gz RBESLPOZJLZAHE-UHFFFAOYSA-N 1 1 284.403 3.269 20 10 CGCDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C[C@H]1O ZINC001560720160 938272294 /nfs/dbraw/zinc/27/22/94/938272294.db2.gz LLXHEMNKFJLHHC-UKRRQHHQSA-N 1 1 297.826 3.275 20 10 CGCDMO CC[C@@]1(C)C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC001560761179 938274190 /nfs/dbraw/zinc/27/41/90/938274190.db2.gz BJFBHGFWXQORJW-MJRGOJFPSA-N 1 1 288.435 3.267 20 10 CGCDMO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC001560802536 938276634 /nfs/dbraw/zinc/27/66/34/938276634.db2.gz XJFVYGMWGQFBTG-INIZCTEOSA-N 1 1 299.361 3.043 20 10 CGCDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC001560802536 938276635 /nfs/dbraw/zinc/27/66/35/938276635.db2.gz XJFVYGMWGQFBTG-INIZCTEOSA-N 1 1 299.361 3.043 20 10 CGCDMO CCOC1CC([N@@H+](C)C/C=C/c2ccc(N(C)C)cc2)C1 ZINC001560861867 938280207 /nfs/dbraw/zinc/28/02/07/938280207.db2.gz ZCXLPKMUWDXDKC-VOTSOKGWSA-N 1 1 288.435 3.265 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCN(C)C(C)(C)CC2)c1 ZINC001560953131 938286002 /nfs/dbraw/zinc/28/60/02/938286002.db2.gz FLAZCZKWBWLDEO-UHFFFAOYSA-N 1 1 290.451 3.432 20 10 CGCDMO CC(C)c1ccc(O)c(CN2CC[N@H+](C)C(C)(C)CC2)c1 ZINC001560953131 938286005 /nfs/dbraw/zinc/28/60/05/938286005.db2.gz FLAZCZKWBWLDEO-UHFFFAOYSA-N 1 1 290.451 3.432 20 10 CGCDMO CC(C)c1ccc(O)c(CN2CC[N@@H+](C)C(C)(C)CC2)c1 ZINC001560953131 938286007 /nfs/dbraw/zinc/28/60/07/938286007.db2.gz FLAZCZKWBWLDEO-UHFFFAOYSA-N 1 1 290.451 3.432 20 10 CGCDMO C[N@H+](Cc1ccno1)Cc1ccc(N2CCCCC2)cc1 ZINC000072953283 345425030 /nfs/dbraw/zinc/42/50/30/345425030.db2.gz VCTJSNSKSBWIGP-UHFFFAOYSA-N 1 1 285.391 3.297 20 10 CGCDMO C[N@@H+](Cc1ccno1)Cc1ccc(N2CCCCC2)cc1 ZINC000072953283 345425033 /nfs/dbraw/zinc/42/50/33/345425033.db2.gz VCTJSNSKSBWIGP-UHFFFAOYSA-N 1 1 285.391 3.297 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)cc1 ZINC000093442281 345878716 /nfs/dbraw/zinc/87/87/16/345878716.db2.gz YSNLNVGHSMLGPA-IBGZPJMESA-N 1 1 298.430 3.308 20 10 CGCDMO COc1ccc(O)c([C@@H](C)NCC[NH+](C(C)C)C(C)C)c1 ZINC000019901087 368777179 /nfs/dbraw/zinc/77/71/79/368777179.db2.gz LMXZKNVRLHLVNF-CQSZACIVSA-N 1 1 294.439 3.170 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1ccc(F)cc1O ZINC000278447611 296132645 /nfs/dbraw/zinc/13/26/45/296132645.db2.gz LDZCGPPVSLPZDR-IUODEOHRSA-N 1 1 292.398 3.199 20 10 CGCDMO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)n[nH]1 ZINC000090531843 370062275 /nfs/dbraw/zinc/06/22/75/370062275.db2.gz WEYULYPSJRMYDL-TZMCWYRMSA-N 1 1 286.423 3.066 20 10 CGCDMO CCC[N@@H+](Cc1ccn(C)c1)Cc1ccccc1O ZINC000092704989 370100108 /nfs/dbraw/zinc/10/01/08/370100108.db2.gz UESREIFFQDPZBN-UHFFFAOYSA-N 1 1 258.365 3.143 20 10 CGCDMO CC(C)[N@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCOC1 ZINC000293857163 372503118 /nfs/dbraw/zinc/50/31/18/372503118.db2.gz ICIOTILCDUFOTL-NSHDSACASA-N 1 1 287.762 3.184 20 10 CGCDMO CC(C)[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCOC1 ZINC000293857163 372503124 /nfs/dbraw/zinc/50/31/24/372503124.db2.gz ICIOTILCDUFOTL-NSHDSACASA-N 1 1 287.762 3.184 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CSCCS1)c1ccc(F)cc1O ZINC000168818288 372621640 /nfs/dbraw/zinc/62/16/40/372621640.db2.gz BYJBBIYPCMCUJK-KOLCDFICSA-N 1 1 287.425 3.031 20 10 CGCDMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000294719205 372668260 /nfs/dbraw/zinc/66/82/60/372668260.db2.gz VNFWZUPEJBSGDT-GOSISDBHSA-N 1 1 290.451 3.046 20 10 CGCDMO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1[O-] ZINC000296601033 373190915 /nfs/dbraw/zinc/19/09/15/373190915.db2.gz VPVZVLBBORICGS-HUORLRHWSA-N 1 1 292.398 3.197 20 10 CGCDMO COC1CCN(c2ccc(Cn3c[nH+]c(C)c3C)cc2)CC1 ZINC000297485767 373271612 /nfs/dbraw/zinc/27/16/12/373271612.db2.gz MBZIBSQSYQWHJE-UHFFFAOYSA-N 1 1 299.418 3.163 20 10 CGCDMO Cc1cccc(C[N@@H+]2CCC[C@@H]2c2cccn2C)c1O ZINC000179598398 373893222 /nfs/dbraw/zinc/89/32/22/373893222.db2.gz MEODAQLCLSVLLP-MRXNPFEDSA-N 1 1 270.376 3.376 20 10 CGCDMO CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180486719 374014510 /nfs/dbraw/zinc/01/45/10/374014510.db2.gz WMVDWTAZAHPVQT-CYBMUJFWSA-N 1 1 296.842 3.209 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@H](C)c2ccccn2)c1 ZINC000183677274 374440354 /nfs/dbraw/zinc/44/03/54/374440354.db2.gz SRNNAIKCFWHLCO-CYBMUJFWSA-N 1 1 286.375 3.379 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)CCS1 ZINC000190699034 375532695 /nfs/dbraw/zinc/53/26/95/375532695.db2.gz XBZHHUYZXRQKNV-CYBMUJFWSA-N 1 1 264.438 3.080 20 10 CGCDMO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000269795159 378267240 /nfs/dbraw/zinc/26/72/40/378267240.db2.gz BFMBOQOFVDHSKY-DZGCQCFKSA-N 1 1 285.387 3.281 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](Cc2ccco2)C(C)C)c1 ZINC000271797568 378504447 /nfs/dbraw/zinc/50/44/47/378504447.db2.gz KMYJGPXBHSKMBK-UHFFFAOYSA-N 1 1 275.348 3.404 20 10 CGCDMO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000273379570 378743633 /nfs/dbraw/zinc/74/36/33/378743633.db2.gz HKJSGVVQOKNOAE-CYBMUJFWSA-N 1 1 287.382 3.480 20 10 CGCDMO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)c1ccc(F)cc1O ZINC000273469411 378748862 /nfs/dbraw/zinc/74/88/62/378748862.db2.gz JJCNVGVABFCDCI-PGUXBMHVSA-N 1 1 267.344 3.140 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000375320202 379491035 /nfs/dbraw/zinc/49/10/35/379491035.db2.gz MUHUCIPWNLEIET-ZFWWWQNUSA-N 1 1 281.783 3.189 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1c(F)cncc1F ZINC000285455549 380147210 /nfs/dbraw/zinc/14/72/10/380147210.db2.gz JJDNWXONUBRDNB-JTQLQIEISA-N 1 1 290.313 3.146 20 10 CGCDMO CCOC(CC[NH2+][C@@H](CC)c1ccc(F)cc1O)OCC ZINC000286378603 380205583 /nfs/dbraw/zinc/20/55/83/380205583.db2.gz AOGNBCAKRZBLQI-AWEZNQCLSA-N 1 1 299.386 3.361 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H](O)c1ccc(C)o1)c1ccc(F)cc1O ZINC000285530894 380149953 /nfs/dbraw/zinc/14/99/53/380149953.db2.gz BPVOGZQMMLAYFR-DZGCQCFKSA-N 1 1 293.338 3.207 20 10 CGCDMO CC[C@H]([NH2+]C[C@H](O)c1ccc(C)o1)c1ccc(F)cc1O ZINC000285530900 380150958 /nfs/dbraw/zinc/15/09/58/380150958.db2.gz BPVOGZQMMLAYFR-ZFWWWQNUSA-N 1 1 293.338 3.207 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](CC)Cc2ccccn2)c1 ZINC000093338910 392236913 /nfs/dbraw/zinc/23/69/13/392236913.db2.gz GWDPNYAFAYGOJF-UHFFFAOYSA-N 1 1 286.375 3.208 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000361067077 393663249 /nfs/dbraw/zinc/66/32/49/393663249.db2.gz MHMHURRSOYTOQZ-INIZCTEOSA-N 1 1 269.344 3.046 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000155197551 261099577 /nfs/dbraw/zinc/09/95/77/261099577.db2.gz RKPPRSCNPLLEQR-UHFFFAOYSA-N 1 1 270.376 3.090 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(F)cc1O ZINC000157930140 261155743 /nfs/dbraw/zinc/15/57/43/261155743.db2.gz IITNXTGYAYSKEY-ZXIHIIQKSA-N 1 1 279.355 3.140 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2C2CCC2)cc1OC ZINC000160126639 261206288 /nfs/dbraw/zinc/20/62/88/261206288.db2.gz RVRHWUAJNUNGGT-CQSZACIVSA-N 1 1 291.391 3.174 20 10 CGCDMO C[C@@H]([NH2+]CCSC(F)(F)F)c1ccc(F)cc1O ZINC000185086353 262040296 /nfs/dbraw/zinc/04/02/96/262040296.db2.gz XYKMXNFYKBXCOR-SSDOTTSWSA-N 1 1 283.290 3.435 20 10 CGCDMO CCOC[C@H]([NH2+][C@H](C)c1ccc(F)cc1O)C(C)C ZINC000189353723 264292989 /nfs/dbraw/zinc/29/29/89/264292989.db2.gz QZCPACVRAQYNMZ-RISCZKNCSA-N 1 1 269.360 3.243 20 10 CGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000369532983 267249505 /nfs/dbraw/zinc/24/95/05/267249505.db2.gz QVSCVPLNLTYFFM-HNNXBMFYSA-N 1 1 283.799 3.437 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCc3cn[nH]c3C2)cc1 ZINC000370663795 267336097 /nfs/dbraw/zinc/33/60/97/267336097.db2.gz YMSOFUDXGSLAIW-CZUORRHYSA-N 1 1 298.434 3.074 20 10 CGCDMO COCCc1cc[nH+]c(N[C@@H](C)c2ccccc2O)c1 ZINC000287327740 328250887 /nfs/dbraw/zinc/25/08/87/328250887.db2.gz FUOUODFPZMYGHR-LBPRGKRZSA-N 1 1 272.348 3.149 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000377835313 329031076 /nfs/dbraw/zinc/03/10/76/329031076.db2.gz SKFGOSHKAYMXNQ-HOTGVXAUSA-N 1 1 289.419 3.339 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)cc1C ZINC000378338532 329046572 /nfs/dbraw/zinc/04/65/72/329046572.db2.gz YQHYNGBBHXWQMH-HNNXBMFYSA-N 1 1 299.418 3.122 20 10 CGCDMO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)s1 ZINC000274173284 334776879 /nfs/dbraw/zinc/77/68/79/334776879.db2.gz HXRXISPLXUHJLI-VHSXEESVSA-N 1 1 277.393 3.272 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000127459401 521144592 /nfs/dbraw/zinc/14/45/92/521144592.db2.gz KHHFCTMCORUTLK-INIZCTEOSA-N 1 1 286.375 3.456 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)Cc1ccccn1 ZINC000292904124 521314889 /nfs/dbraw/zinc/31/48/89/521314889.db2.gz WGRAEZWBSJUYAI-UHFFFAOYSA-N 1 1 283.419 3.478 20 10 CGCDMO CCOC1CC([N@@H+](C)Cc2cc(Cl)cc(OC)c2O)C1 ZINC000290402298 521651161 /nfs/dbraw/zinc/65/11/61/521651161.db2.gz JNHNJUKAUPXEMJ-UHFFFAOYSA-N 1 1 299.798 3.054 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C[C@@H]2CCSC2)C2CC2)cc1 ZINC000278421677 522174181 /nfs/dbraw/zinc/17/41/81/522174181.db2.gz IPPIBUSGXBLZGS-HNNXBMFYSA-N 1 1 290.476 3.470 20 10 CGCDMO COC1CCC([N@@H+](C)Cc2cc(C)c(C)cc2O)CC1 ZINC000265165748 522684866 /nfs/dbraw/zinc/68/48/66/522684866.db2.gz GBLWCURAXKPTDA-UHFFFAOYSA-N 1 1 277.408 3.398 20 10 CGCDMO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000290568520 523369853 /nfs/dbraw/zinc/36/98/53/523369853.db2.gz SXRXXKKPTKULCM-CMPLNLGQSA-N 1 1 294.351 3.072 20 10 CGCDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000290568520 523369855 /nfs/dbraw/zinc/36/98/55/523369855.db2.gz SXRXXKKPTKULCM-CMPLNLGQSA-N 1 1 294.351 3.072 20 10 CGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000280329139 523806653 /nfs/dbraw/zinc/80/66/53/523806653.db2.gz RAIAVGLLPGGZRN-KRWDZBQOSA-N 1 1 294.414 3.283 20 10 CGCDMO C[C@H](CCO)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000278652485 524206749 /nfs/dbraw/zinc/20/67/49/524206749.db2.gz IFJLSGPHFRURAY-BDAKNGLRSA-N 1 1 292.206 3.368 20 10 CGCDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000292850942 524816920 /nfs/dbraw/zinc/81/69/20/524816920.db2.gz UCNYEUFWOYUCEZ-KSSFIOAISA-N 1 1 297.398 3.404 20 10 CGCDMO CCc1cccc(OCC[N@@H+](C)Cc2ccccc2O)c1 ZINC000732203607 572451409 /nfs/dbraw/zinc/45/14/09/572451409.db2.gz YLDGWIRWNFSIHB-UHFFFAOYSA-N 1 1 285.387 3.465 20 10 CGCDMO Oc1cccc(Cl)c1C[NH2+]Cc1cn2ccsc2n1 ZINC000733325923 572556187 /nfs/dbraw/zinc/55/61/87/572556187.db2.gz YSFXXRRRADZUBB-UHFFFAOYSA-N 1 1 293.779 3.045 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)cc1C ZINC000743377567 572654963 /nfs/dbraw/zinc/65/49/63/572654963.db2.gz PUHCWTLRISEABR-BETUJISGSA-N 1 1 265.422 3.335 20 10 CGCDMO Oc1ccccc1C[N@@H+](CCC1CC1)C[C@@H]1CCCO1 ZINC000744402684 572750054 /nfs/dbraw/zinc/75/00/54/572750054.db2.gz PSOZTZQVWXZQPC-INIZCTEOSA-N 1 1 275.392 3.173 20 10 CGCDMO CC1(C)CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792167298 629343514 /nfs/dbraw/zinc/34/35/14/629343514.db2.gz GWMXKFVJEKEYEO-UHFFFAOYSA-N 1 1 257.736 3.417 20 10 CGCDMO CC1(C)CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792167298 629343517 /nfs/dbraw/zinc/34/35/17/629343517.db2.gz GWMXKFVJEKEYEO-UHFFFAOYSA-N 1 1 257.736 3.417 20 10 CGCDMO CC(C)C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000307770526 618078070 /nfs/dbraw/zinc/07/80/70/618078070.db2.gz FWKWUBRHKXYYKD-LBPRGKRZSA-N 1 1 251.345 3.399 20 10 CGCDMO CCOC[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160350104 618000951 /nfs/dbraw/zinc/00/09/51/618000951.db2.gz AXPBVGYPXKCTJR-AWEZNQCLSA-N 1 1 289.419 3.129 20 10 CGCDMO CN(C)c1ccc(C[N@H+](C)Cc2ccnn2C2CCC2)cc1 ZINC000891398447 618184820 /nfs/dbraw/zinc/18/48/20/618184820.db2.gz YBPIHCRIIYMYLI-UHFFFAOYSA-N 1 1 298.434 3.306 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccnn2C2CCC2)cc1 ZINC000891398447 618184823 /nfs/dbraw/zinc/18/48/23/618184823.db2.gz YBPIHCRIIYMYLI-UHFFFAOYSA-N 1 1 298.434 3.306 20 10 CGCDMO COc1ccc(C[N@H+]2CC[C@H]2c2ccccc2)c(O)c1OC ZINC000891402701 618187980 /nfs/dbraw/zinc/18/79/80/618187980.db2.gz VLCAETYVODYSFO-HNNXBMFYSA-N 1 1 299.370 3.356 20 10 CGCDMO C[C@@H]1CSCC[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000179444600 618784914 /nfs/dbraw/zinc/78/49/14/618784914.db2.gz IHCSWSQOLOVBMY-GFCCVEGCSA-N 1 1 277.433 3.208 20 10 CGCDMO CSCCCC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000168783915 618913944 /nfs/dbraw/zinc/91/39/44/618913944.db2.gz ULHHIUAPLWHREP-SNVBAGLBSA-N 1 1 257.374 3.325 20 10 CGCDMO COCC[N@@H+](Cc1ccccc1)Cc1cccc(C)c1O ZINC000179560381 619009206 /nfs/dbraw/zinc/00/92/06/619009206.db2.gz UNSYMWZYGNTERC-UHFFFAOYSA-N 1 1 285.387 3.349 20 10 CGCDMO CC[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000312973903 619160195 /nfs/dbraw/zinc/16/01/95/619160195.db2.gz CALVDKFKYOEYAN-QWHCGFSZSA-N 1 1 263.381 3.411 20 10 CGCDMO CCOC[C@@H]1CCCC[N@H+]1Cc1cccc(OCC)c1O ZINC000313465711 619173925 /nfs/dbraw/zinc/17/39/25/619173925.db2.gz YKAUNZZFMNTLAK-HNNXBMFYSA-N 1 1 293.407 3.182 20 10 CGCDMO C[C@@H]1C[C@@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)[C@H](C)O1 ZINC000840964941 619285236 /nfs/dbraw/zinc/28/52/36/619285236.db2.gz YRRPDONLFIWESK-UTLUCORTSA-N 1 1 287.762 3.088 20 10 CGCDMO COc1ccc(C[N@@H+](CC2CCC2)C(C)C)c(O)c1OC ZINC000894059528 619362292 /nfs/dbraw/zinc/36/22/92/619362292.db2.gz XIHYGJVMNFWNJV-UHFFFAOYSA-N 1 1 293.407 3.420 20 10 CGCDMO COc1cc(O)c(C[N@@H+](CCC(C)C)C2CC2)cc1OC ZINC000159746003 619520766 /nfs/dbraw/zinc/52/07/66/619520766.db2.gz RRGOZLYFWHCQGQ-UHFFFAOYSA-N 1 1 293.407 3.420 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)[C@@H](C)c2cccnc2)c1O ZINC000894449521 619538281 /nfs/dbraw/zinc/53/82/81/619538281.db2.gz SYZQCWVFTWQMKD-ZDUSSCGKSA-N 1 1 286.375 3.297 20 10 CGCDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC000894499017 619554517 /nfs/dbraw/zinc/55/45/17/619554517.db2.gz MWBHDFVXGCRVGU-YPMHNXCESA-N 1 1 279.380 3.172 20 10 CGCDMO Cc1ccc(CC[NH2+][C@H](C)c2ccc(F)cc2O)cn1 ZINC000185421766 625357153 /nfs/dbraw/zinc/35/71/53/625357153.db2.gz UZFKWQPLIUYSOM-GFCCVEGCSA-N 1 1 274.339 3.128 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c1O ZINC000894904933 619679364 /nfs/dbraw/zinc/67/93/64/619679364.db2.gz BLOSSAGVEPIJKC-DOTOQJQBSA-N 1 1 287.403 3.330 20 10 CGCDMO Cc1ccncc1C[N@H+](C)Cc1cccc(C)c1O ZINC000793337986 619715921 /nfs/dbraw/zinc/71/59/21/619715921.db2.gz ACLNPAGPGIVLCG-UHFFFAOYSA-N 1 1 256.349 3.036 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@H](CF)C2)cc1 ZINC000895568705 619853651 /nfs/dbraw/zinc/85/36/51/619853651.db2.gz PTEDRNHSIIEFPK-ABCZVMIZSA-N 1 1 262.372 3.057 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000895677489 619867430 /nfs/dbraw/zinc/86/74/30/619867430.db2.gz MMLITLGYZLBELX-NSHDSACASA-N 1 1 299.773 3.376 20 10 CGCDMO Cc1cccc(O)c1C[NH2+][C@H]1c2ccccc2OC[C@H]1F ZINC000896422092 620007156 /nfs/dbraw/zinc/00/71/56/620007156.db2.gz HOBMKUCEEQWIQA-PBHICJAKSA-N 1 1 287.334 3.262 20 10 CGCDMO COC(C)(C)[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000896609141 620036632 /nfs/dbraw/zinc/03/66/32/620036632.db2.gz WUMNDAZDUUKKNT-QMMMGPOBSA-N 1 1 275.751 3.088 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]C1CCC(F)(F)CC1 ZINC000896638973 620041304 /nfs/dbraw/zinc/04/13/04/620041304.db2.gz SFVVKJKTASZRFE-UHFFFAOYSA-N 1 1 259.271 3.199 20 10 CGCDMO C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1[O-] ZINC000841744129 620345533 /nfs/dbraw/zinc/34/55/33/620345533.db2.gz FIIYFVBTWHLNMT-FPMFFAJLSA-N 1 1 294.826 3.323 20 10 CGCDMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1cncs1 ZINC000897929900 620450220 /nfs/dbraw/zinc/45/02/20/620450220.db2.gz DIJACLPECZFZNC-SSDOTTSWSA-N 1 1 286.759 3.492 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCOC12CCCC2 ZINC000898113010 620479955 /nfs/dbraw/zinc/47/99/55/620479955.db2.gz YGEMDDVKLSRKRN-CYBMUJFWSA-N 1 1 299.773 3.376 20 10 CGCDMO Cc1cccc(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1O ZINC000898515895 620595133 /nfs/dbraw/zinc/59/51/33/620595133.db2.gz HJUWVPAJQNFUPB-NVXWUHKLSA-N 1 1 289.419 3.339 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000898515900 620595511 /nfs/dbraw/zinc/59/55/11/620595511.db2.gz HKEQCUOIBPCOSM-UONOGXRCSA-N 1 1 293.382 3.170 20 10 CGCDMO C[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1cc(Cl)c(Cl)cc1O ZINC000903393853 621719451 /nfs/dbraw/zinc/71/94/51/621719451.db2.gz URSWOILFMMDUHA-YVZVNANGSA-N 1 1 290.190 3.385 20 10 CGCDMO Cc1ncccc1CC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000903416691 621735315 /nfs/dbraw/zinc/73/53/15/621735315.db2.gz VQWJQZSZJNOPTO-LBPRGKRZSA-N 1 1 274.339 3.128 20 10 CGCDMO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)n[nH]1 ZINC000186130726 625519135 /nfs/dbraw/zinc/51/91/35/625519135.db2.gz PJVLEVWTZZESBE-DGCLKSJQSA-N 1 1 273.380 3.014 20 10 CGCDMO [NH3+][C@H]1C[C@@H](C[N@H+](Cc2ccccc2[O-])C2CCCCC2)C1 ZINC000904334036 621908711 /nfs/dbraw/zinc/90/87/11/621908711.db2.gz JTKFMHNHDKTJDO-FZNQNYSPSA-N 1 1 288.435 3.264 20 10 CGCDMO [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)C1 ZINC000904334036 621908717 /nfs/dbraw/zinc/90/87/17/621908717.db2.gz JTKFMHNHDKTJDO-FZNQNYSPSA-N 1 1 288.435 3.264 20 10 CGCDMO CCO[C@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000155430537 622342052 /nfs/dbraw/zinc/34/20/52/622342052.db2.gz MRZVGQXRTNIQNT-HNNXBMFYSA-N 1 1 263.381 3.010 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)CCOC(C)(C)C)c(O)c1 ZINC000769514012 625571726 /nfs/dbraw/zinc/57/17/26/625571726.db2.gz DSMKFBJULKGXNQ-UHFFFAOYSA-N 1 1 281.396 3.038 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccc(F)cc1O ZINC000062747806 623267311 /nfs/dbraw/zinc/26/73/11/623267311.db2.gz JLIURNRAMAPIRF-BXUZGUMPSA-N 1 1 287.334 3.186 20 10 CGCDMO Oc1c(Br)cccc1C[NH2+]CCC(F)(F)F ZINC000063099785 623296696 /nfs/dbraw/zinc/29/66/96/623296696.db2.gz DSBSAEMGJNIUSJ-UHFFFAOYSA-N 1 1 298.102 3.197 20 10 CGCDMO COc1cc(C)cc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1O ZINC000915791701 624029606 /nfs/dbraw/zinc/02/96/06/624029606.db2.gz DZTAJCBJFLFSJP-BETUJISGSA-N 1 1 263.381 3.187 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2cc(F)ccc2O)cc1C ZINC000180028045 624706132 /nfs/dbraw/zinc/70/61/32/624706132.db2.gz WCDGLIMAQCBCHR-UHFFFAOYSA-N 1 1 289.350 3.480 20 10 CGCDMO Oc1ccc2ccccc2c1CN1CC[NH+](CC2CC2)CC1 ZINC000054551135 625825294 /nfs/dbraw/zinc/82/52/94/625825294.db2.gz PCCYVNRNQMUWHE-UHFFFAOYSA-N 1 1 296.414 3.073 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCCc2cccnc21 ZINC000922877061 626060538 /nfs/dbraw/zinc/06/05/38/626060538.db2.gz CDQYBYIBROXCLW-CQSZACIVSA-N 1 1 290.313 3.233 20 10 CGCDMO CC[N@H+](CCN[C@H](C)c1cc(C)ccc1O)C(C)C ZINC000756526174 626096671 /nfs/dbraw/zinc/09/66/71/626096671.db2.gz SYTSFKOTQMFBNO-CQSZACIVSA-N 1 1 264.413 3.082 20 10 CGCDMO CC[N@@H+](CCN[C@H](C)c1cc(C)ccc1O)C(C)C ZINC000756526174 626096672 /nfs/dbraw/zinc/09/66/72/626096672.db2.gz SYTSFKOTQMFBNO-CQSZACIVSA-N 1 1 264.413 3.082 20 10 CGCDMO Cn1cncc1CC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000838847207 626268175 /nfs/dbraw/zinc/26/81/75/626268175.db2.gz UJVGSTNUNSJHBA-UHFFFAOYSA-N 1 1 299.418 3.113 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000840818949 626328157 /nfs/dbraw/zinc/32/81/57/626328157.db2.gz DPGXIFSFBMCOAS-FIXIBIHLSA-N 1 1 289.375 3.018 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000840818950 626329389 /nfs/dbraw/zinc/32/93/89/626329389.db2.gz DPGXIFSFBMCOAS-HKCMKHECSA-N 1 1 289.375 3.018 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1[O-] ZINC000806138894 626360656 /nfs/dbraw/zinc/36/06/56/626360656.db2.gz DLVQAEUKKQEJCB-IUODEOHRSA-N 1 1 296.842 3.428 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000751940007 626412244 /nfs/dbraw/zinc/41/22/44/626412244.db2.gz MJNRMGWSVSHYNP-CQSZACIVSA-N 1 1 277.408 3.219 20 10 CGCDMO COC[C@H]1CCC[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000751948689 626412650 /nfs/dbraw/zinc/41/26/50/626412650.db2.gz DMGGJOIVHQPBLH-CQSZACIVSA-N 1 1 293.407 3.006 20 10 CGCDMO CC(C)[N@H+]1CCCC[C@@H]1CSc1nccs1 ZINC000752931276 626442123 /nfs/dbraw/zinc/44/21/23/626442123.db2.gz NNHSWUOEKGLATP-LLVKDONJSA-N 1 1 256.440 3.498 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccoc1)c1cc(F)cc(F)c1O ZINC000756448576 626706740 /nfs/dbraw/zinc/70/67/40/626706740.db2.gz CLHPTCAYPSKXHS-MRVPVSSYSA-N 1 1 253.248 3.114 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC(C)(C)C)c1 ZINC000756466959 626707602 /nfs/dbraw/zinc/70/76/02/626707602.db2.gz RQCWQWJMIRUAKX-NSHDSACASA-N 1 1 279.380 3.266 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@H](C)C2)c1 ZINC000756467785 626707716 /nfs/dbraw/zinc/70/77/16/626707716.db2.gz YONSOJCQUCVOKF-OBJOEFQTSA-N 1 1 291.391 3.408 20 10 CGCDMO CC[N@H+](CCN[C@H](C)c1cc(Cl)ccc1O)C(C)C ZINC000756526162 626711711 /nfs/dbraw/zinc/71/17/11/626711711.db2.gz SRMDXXRQRFNATF-GFCCVEGCSA-N 1 1 284.831 3.427 20 10 CGCDMO CC[N@@H+](CCN[C@H](C)c1cc(Cl)ccc1O)C(C)C ZINC000756526162 626711713 /nfs/dbraw/zinc/71/17/13/626711713.db2.gz SRMDXXRQRFNATF-GFCCVEGCSA-N 1 1 284.831 3.427 20 10 CGCDMO CC[NH+](CC)C[C@H](C)N[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756536411 626713165 /nfs/dbraw/zinc/71/31/65/626713165.db2.gz VKAUFONCDBLXJZ-SGMGOOAPSA-N 1 1 294.414 3.400 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1ccc(F)cc1O ZINC000756760868 626730023 /nfs/dbraw/zinc/73/00/23/626730023.db2.gz ROOCLTWBWBRTTR-LLVKDONJSA-N 1 1 287.334 3.412 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)CC(C)C)c1 ZINC000756766721 626730038 /nfs/dbraw/zinc/73/00/38/626730038.db2.gz BPFHAPFLYHYVQN-RYUDHWBXSA-N 1 1 279.380 3.264 20 10 CGCDMO COc1ccc(O)c([C@@H](C)Nc2ccc3c(c2)[nH+]cn3C)c1 ZINC000757611948 626793221 /nfs/dbraw/zinc/79/32/21/626793221.db2.gz LQVKOUXAZSQEMK-LLVKDONJSA-N 1 1 297.358 3.461 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)c1O ZINC000761215601 627026367 /nfs/dbraw/zinc/02/63/67/627026367.db2.gz HAKJQUMONBNUJF-CABZTGNLSA-N 1 1 287.762 3.234 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)c1O ZINC000761215601 627026369 /nfs/dbraw/zinc/02/63/69/627026369.db2.gz HAKJQUMONBNUJF-CABZTGNLSA-N 1 1 287.762 3.234 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)CC1(C)C ZINC000761225767 627026703 /nfs/dbraw/zinc/02/67/03/627026703.db2.gz LNZZOMUVIVNOJX-LLVKDONJSA-N 1 1 251.345 3.399 20 10 CGCDMO C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)[C@@H]1CCSC1 ZINC000125052837 634559856 /nfs/dbraw/zinc/55/98/56/634559856.db2.gz WGZWZNNQJBVQIA-CYBMUJFWSA-N 1 1 295.448 3.333 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)C1CCC(C)CC1 ZINC000768197646 627468150 /nfs/dbraw/zinc/46/81/50/627468150.db2.gz LMEYPUMFPGVJAR-UHFFFAOYSA-N 1 1 263.381 3.411 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000768230185 627469991 /nfs/dbraw/zinc/46/99/91/627469991.db2.gz RIFDRIPHIHUSIE-CQSZACIVSA-N 1 1 283.371 3.280 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2C(C)C)cc1OC ZINC000768444491 627480389 /nfs/dbraw/zinc/48/03/89/627480389.db2.gz YMIPFWHPXBKLLR-CYBMUJFWSA-N 1 1 279.380 3.030 20 10 CGCDMO COc1cc(C[N@H+]2CCCC(C)(C)C2)c(O)cc1C ZINC000768445813 627480583 /nfs/dbraw/zinc/48/05/83/627480583.db2.gz IIHNDSUDQKNTNG-UHFFFAOYSA-N 1 1 263.381 3.331 20 10 CGCDMO CCC[N@H+](Cc1c(O)cccc1OC)CC(C)C ZINC000768477578 627482123 /nfs/dbraw/zinc/48/21/23/627482123.db2.gz FPSVZRBCUKBPMK-UHFFFAOYSA-N 1 1 251.370 3.269 20 10 CGCDMO CC(C)[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000768521424 627484062 /nfs/dbraw/zinc/48/40/62/627484062.db2.gz YTOFLPVZHJWUHF-UHFFFAOYSA-N 1 1 292.398 3.035 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2C2CC2)cc1F ZINC000769327429 627541990 /nfs/dbraw/zinc/54/19/90/627541990.db2.gz BGKWJDHBSQPKSO-OAHLLOKOSA-N 1 1 262.372 3.266 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CCS1 ZINC000769447874 627553512 /nfs/dbraw/zinc/55/35/12/627553512.db2.gz ZGZXXXHETSCBLZ-CYBMUJFWSA-N 1 1 282.428 3.219 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCCOC[C@H]2C)cc1F ZINC000769456241 627554773 /nfs/dbraw/zinc/55/47/73/627554773.db2.gz HOXYVEIGDZVXED-CQSZACIVSA-N 1 1 294.414 3.283 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCOC[C@@H](C)C2)cc1F ZINC000769457796 627554833 /nfs/dbraw/zinc/55/48/33/627554833.db2.gz UTAXTWKMZVZIMD-AWEZNQCLSA-N 1 1 294.414 3.140 20 10 CGCDMO CO[C@@H](C)C[N@@H+](Cc1cc(C)c(C)cc1O)C(C)C ZINC000769475295 627558191 /nfs/dbraw/zinc/55/81/91/627558191.db2.gz VYKJJUJBFMLOQM-AWEZNQCLSA-N 1 1 265.397 3.254 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)Cc2cccc(C)n2)c1O ZINC000769480314 627558777 /nfs/dbraw/zinc/55/87/77/627558777.db2.gz MRCVPQIDCDXJOL-UHFFFAOYSA-N 1 1 286.375 3.126 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC000769548614 627565201 /nfs/dbraw/zinc/56/52/01/627565201.db2.gz IZCGTDMFPLHALJ-DOTOQJQBSA-N 1 1 293.407 3.036 20 10 CGCDMO CCN(CC)c1ccc(CNc2nc(N(C)C)cc[nH+]2)cc1 ZINC000770443337 627619224 /nfs/dbraw/zinc/61/92/24/627619224.db2.gz GKRFDBWHKJXBDX-UHFFFAOYSA-N 1 1 299.422 3.001 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c(O)c1 ZINC000772597346 627805027 /nfs/dbraw/zinc/80/50/27/627805027.db2.gz DDHYPQRKULXNKS-INIZCTEOSA-N 1 1 286.375 3.456 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)Cc2ccoc2)cc1 ZINC000773745380 627909744 /nfs/dbraw/zinc/90/97/44/627909744.db2.gz BJTPRSHUILLMRP-UHFFFAOYSA-N 1 1 258.365 3.368 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C[C@@H](C)OC)C(C)C)cc1 ZINC000773750713 627910252 /nfs/dbraw/zinc/91/02/52/627910252.db2.gz DZSGVNZRLKDPOP-OAHLLOKOSA-N 1 1 278.440 3.388 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)[C@]2(CO)CC[C@@H](C)C2)cc1 ZINC000773861891 627921294 /nfs/dbraw/zinc/92/12/94/627921294.db2.gz ACZJIVMTBPBYDA-CRAIPNDOSA-N 1 1 290.451 3.126 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)cc1 ZINC000773887220 627925121 /nfs/dbraw/zinc/92/51/21/627925121.db2.gz DZPRHWLNYVIPNJ-KKUMJFAQSA-N 1 1 276.424 3.140 20 10 CGCDMO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775030165 628054964 /nfs/dbraw/zinc/05/49/64/628054964.db2.gz QYYXYYNYCWEVQI-WDEREUQCSA-N 1 1 296.367 3.223 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+](CCO)C2CCCC2)c1O ZINC000775636947 628117438 /nfs/dbraw/zinc/11/74/38/628117438.db2.gz JIHSWYPVAGVSPR-UHFFFAOYSA-N 1 1 283.799 3.091 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+](C)C[C@H]2CCCN(C)C2)c1O ZINC000775653613 628119842 /nfs/dbraw/zinc/11/98/42/628119842.db2.gz KGHCLEYAZSOAPP-ZDUSSCGKSA-N 1 1 296.842 3.128 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+](C)C[C@H]2CCCN(C)C2)c1O ZINC000775653613 628119845 /nfs/dbraw/zinc/11/98/45/628119845.db2.gz KGHCLEYAZSOAPP-ZDUSSCGKSA-N 1 1 296.842 3.128 20 10 CGCDMO CCC[C@H](C)[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775652393 628120602 /nfs/dbraw/zinc/12/06/02/628120602.db2.gz YWFWTTUUHVZGSL-INIZCTEOSA-N 1 1 289.467 3.059 20 10 CGCDMO CCC[C@H](C)[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775652393 628120607 /nfs/dbraw/zinc/12/06/07/628120607.db2.gz YWFWTTUUHVZGSL-INIZCTEOSA-N 1 1 289.467 3.059 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000775660604 628121261 /nfs/dbraw/zinc/12/12/61/628121261.db2.gz FWJIOHOAXAQORD-QGZVFWFLSA-N 1 1 299.370 3.444 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCN(C3CC3)C2)c1O ZINC000775680316 628124811 /nfs/dbraw/zinc/12/48/11/628124811.db2.gz AJRDMPLNTNZXDQ-OAHLLOKOSA-N 1 1 294.826 3.023 20 10 CGCDMO Cc1cc(Cl)cc(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1O ZINC000775680316 628124814 /nfs/dbraw/zinc/12/48/14/628124814.db2.gz AJRDMPLNTNZXDQ-OAHLLOKOSA-N 1 1 294.826 3.023 20 10 CGCDMO Cc1cc(Cl)cc(CN(C)[C@@H]2CC[N@H+](C3CC3)C2)c1O ZINC000775680316 628124818 /nfs/dbraw/zinc/12/48/18/628124818.db2.gz AJRDMPLNTNZXDQ-OAHLLOKOSA-N 1 1 294.826 3.023 20 10 CGCDMO CCn1cc(C[N@@H+](C)Cc2cc(Cl)cc(C)c2O)cn1 ZINC000775700949 628127692 /nfs/dbraw/zinc/12/76/92/628127692.db2.gz ULMACGROYQVLSJ-UHFFFAOYSA-N 1 1 293.798 3.202 20 10 CGCDMO Cc1cccc(C[N@H+]2CC(C)(C)OCC2(C)C)c1O ZINC000775703790 628127695 /nfs/dbraw/zinc/12/76/95/628127695.db2.gz YJVHLHFARBABMB-UHFFFAOYSA-N 1 1 263.381 3.090 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000776017823 628158042 /nfs/dbraw/zinc/15/80/42/628158042.db2.gz SRHLEXDGCJBLCA-UHFFFAOYSA-N 1 1 295.810 3.438 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2C2CCOCC2)cc1C ZINC000776768151 628231248 /nfs/dbraw/zinc/23/12/48/628231248.db2.gz CSCRVZAAECNXHX-QGZVFWFLSA-N 1 1 289.419 3.400 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)cc1C ZINC000777965661 628316858 /nfs/dbraw/zinc/31/68/58/628316858.db2.gz BXLBNRZJGDLMEQ-HZMBPMFUSA-N 1 1 251.345 3.189 20 10 CGCDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)ccc2O)C1(C)C ZINC000779027313 628383921 /nfs/dbraw/zinc/38/39/21/628383921.db2.gz QNBVRGMDAHESFP-HUUCEWRRSA-N 1 1 281.371 3.167 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC[C@H]1O ZINC000779199140 628393634 /nfs/dbraw/zinc/39/36/34/628393634.db2.gz UWQDSZXCFDFVDE-KBXCAEBGSA-N 1 1 297.398 3.262 20 10 CGCDMO OCC[C@@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000779201937 628393653 /nfs/dbraw/zinc/39/36/53/628393653.db2.gz IYVXRFKPOJAKST-KRWDZBQOSA-N 1 1 288.435 3.024 20 10 CGCDMO C[C@H](O)CCC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000789307487 629123079 /nfs/dbraw/zinc/12/30/79/629123079.db2.gz ZIDMEIVWWZFZOP-INIZCTEOSA-N 1 1 290.451 3.270 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCSC1)c1cc(F)cc(F)c1O ZINC000790494416 629213822 /nfs/dbraw/zinc/21/38/22/629213822.db2.gz DMSHNBKFJLNPJR-IUCAKERBSA-N 1 1 273.348 3.074 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)c(O)c1 ZINC000790930746 629241492 /nfs/dbraw/zinc/24/14/92/629241492.db2.gz HYFNOEGEXHAOPK-MRXNPFEDSA-N 1 1 293.407 3.038 20 10 CGCDMO Cc1ncsc1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790959938 629243785 /nfs/dbraw/zinc/24/37/85/629243785.db2.gz MCCYPGCHLRUYNK-UHFFFAOYSA-N 1 1 286.759 3.239 20 10 CGCDMO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790970439 629244138 /nfs/dbraw/zinc/24/41/38/629244138.db2.gz JDIFKRSORWOTJU-UWVGGRQHSA-N 1 1 289.778 3.071 20 10 CGCDMO C[C@H]1CC[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000790993742 629248197 /nfs/dbraw/zinc/24/81/97/629248197.db2.gz YKNHLFDZHQGXOM-DTWKUNHWSA-N 1 1 257.736 3.463 20 10 CGCDMO C[C@@H](C1CC1)[N@@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862224792 629326410 /nfs/dbraw/zinc/32/64/10/629326410.db2.gz LXJIUYNZEBHISL-JTQLQIEISA-N 1 1 268.351 3.261 20 10 CGCDMO CN(C)c1cc(F)c(C[N@H+](C)C[C@@H]2CCCCO2)cc1F ZINC000862231730 629327286 /nfs/dbraw/zinc/32/72/86/629327286.db2.gz KNTVGXDRJQTOQC-ZDUSSCGKSA-N 1 1 298.377 3.032 20 10 CGCDMO CN(C)c1cc(F)c(C[N@@H+](C)C[C@@H]2CCCCO2)cc1F ZINC000862231730 629327294 /nfs/dbraw/zinc/32/72/94/629327294.db2.gz KNTVGXDRJQTOQC-ZDUSSCGKSA-N 1 1 298.377 3.032 20 10 CGCDMO CC(C)n1nccc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000792763591 629379328 /nfs/dbraw/zinc/37/93/28/629379328.db2.gz VVNJDNSALCACCY-UHFFFAOYSA-N 1 1 286.423 3.162 20 10 CGCDMO CC(C)n1nccc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000792763591 629379330 /nfs/dbraw/zinc/37/93/30/629379330.db2.gz VVNJDNSALCACCY-UHFFFAOYSA-N 1 1 286.423 3.162 20 10 CGCDMO CCc1cccc(C[N@H+]2Cc3cccc(OC)c3C2)c1O ZINC000862529890 629391962 /nfs/dbraw/zinc/39/19/62/629391962.db2.gz QYSPIHBQNJEIGU-UHFFFAOYSA-N 1 1 283.371 3.479 20 10 CGCDMO CC[N@H+](Cc1cc(OC)c(OC)cc1O)CC1CCC1 ZINC000793353117 629446463 /nfs/dbraw/zinc/44/64/63/629446463.db2.gz ROGADUTZFBAWBT-UHFFFAOYSA-N 1 1 279.380 3.031 20 10 CGCDMO CCOc1cccc(C[N@@H+](CC)CC2CCC2)c1O ZINC000793351835 629446583 /nfs/dbraw/zinc/44/65/83/629446583.db2.gz HNOCFDSXBHXKJO-UHFFFAOYSA-N 1 1 263.381 3.413 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)c1 ZINC000793351038 629446688 /nfs/dbraw/zinc/44/66/88/629446688.db2.gz FJPBYTQZDUWDLO-CYBMUJFWSA-N 1 1 263.381 3.411 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1 ZINC000793530437 629477384 /nfs/dbraw/zinc/47/73/84/629477384.db2.gz OBIWNQYXLBMAOT-HIFRSBDPSA-N 1 1 281.346 3.486 20 10 CGCDMO OCC[C@@H]1CCCCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000793609656 629490107 /nfs/dbraw/zinc/49/01/07/629490107.db2.gz QTSWBMBZKISBHK-AWEZNQCLSA-N 1 1 283.799 3.173 20 10 CGCDMO COc1cc(C)cc(C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1O ZINC000863274409 629517803 /nfs/dbraw/zinc/51/78/03/629517803.db2.gz JSMOOZPDNNFWIH-TXEJJXNPSA-N 1 1 299.361 3.432 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H]3CC[C@@H](C1)S3)CCC2 ZINC000863294914 629527195 /nfs/dbraw/zinc/52/71/95/629527195.db2.gz HBWVSGACVXBHRW-CVEARBPZSA-N 1 1 289.444 3.351 20 10 CGCDMO CCOC1CC(C[N@@H+](CC)Cc2ccc(N(C)C)cc2)C1 ZINC000795854748 629720680 /nfs/dbraw/zinc/72/06/80/629720680.db2.gz FUIBIUYXOPHFSX-UHFFFAOYSA-N 1 1 290.451 3.390 20 10 CGCDMO CC[C@H]([NH2+]CCN(C)C1CCCC1)c1ccc(F)cc1O ZINC000796766732 629829266 /nfs/dbraw/zinc/82/92/66/629829266.db2.gz WLTSTFZEDCIDFG-INIZCTEOSA-N 1 1 294.414 3.446 20 10 CGCDMO CC[C@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc(F)cc1O ZINC000796945348 629863280 /nfs/dbraw/zinc/86/32/80/629863280.db2.gz PMFNPCCVXLYELL-KBPBESRZSA-N 1 1 295.379 3.367 20 10 CGCDMO COc1cc(C)cc(C[N@@H+]2CC(C)=C[C@@H](C)C2)c1O ZINC000797416434 629944089 /nfs/dbraw/zinc/94/40/89/629944089.db2.gz ICXRFCIWGDMNHO-GFCCVEGCSA-N 1 1 261.365 3.107 20 10 CGCDMO Oc1ccccc1CNC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000797890464 629997250 /nfs/dbraw/zinc/99/72/50/629997250.db2.gz MOFSDONBPXCLMT-KRWDZBQOSA-N 1 1 288.435 3.279 20 10 CGCDMO Oc1ccccc1CNC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000797890464 629997257 /nfs/dbraw/zinc/99/72/57/629997257.db2.gz MOFSDONBPXCLMT-KRWDZBQOSA-N 1 1 288.435 3.279 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000798962955 630129233 /nfs/dbraw/zinc/12/92/33/630129233.db2.gz UJWGRCNRLPQKCR-GFCCVEGCSA-N 1 1 288.778 3.430 20 10 CGCDMO CSCCC[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000798963918 630131108 /nfs/dbraw/zinc/13/11/08/630131108.db2.gz KYPVOIIELJUPLZ-UHFFFAOYSA-N 1 1 259.802 3.231 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@H](c3ccccn3)C2)c(O)cc1C ZINC000799156593 630150403 /nfs/dbraw/zinc/15/04/03/630150403.db2.gz VXAGVPFCXPTGBR-AWEZNQCLSA-N 1 1 298.386 3.094 20 10 CGCDMO CSCCC[N@@H+](C)Cc1c(O)ccc2ccncc21 ZINC000799161128 630151375 /nfs/dbraw/zinc/15/13/75/630151375.db2.gz PFOCMQBVQFFUAM-UHFFFAOYSA-N 1 1 276.405 3.125 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000802656419 630403377 /nfs/dbraw/zinc/40/33/77/630403377.db2.gz LDXMNFGGWAKROD-KRWDZBQOSA-N 1 1 271.335 3.463 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000840095176 630591107 /nfs/dbraw/zinc/59/11/07/630591107.db2.gz OHUUHBDNBRFFGZ-QZTJIDSGSA-N 1 1 287.403 3.152 20 10 CGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CCCN(C)C2)c1O ZINC000808692889 630665176 /nfs/dbraw/zinc/66/51/76/630665176.db2.gz BCIHVUWSCIWCGU-CHWSQXEVSA-N 1 1 296.842 3.346 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC(C)(C)C[C@@H]2C)cc1OC ZINC000840181634 630754378 /nfs/dbraw/zinc/75/43/78/630754378.db2.gz SYAFQBOWJJDIMO-NSHDSACASA-N 1 1 279.380 3.030 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000809728969 630792920 /nfs/dbraw/zinc/79/29/20/630792920.db2.gz NENUHKVBMMREBZ-INIZCTEOSA-N 1 1 284.359 3.133 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H](C3CC3)C2)c(O)c1 ZINC000809787291 630808703 /nfs/dbraw/zinc/80/87/03/630808703.db2.gz YBYSLAUARFRCMA-CQSZACIVSA-N 1 1 275.392 3.413 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](C3CCC3)C2)c1O ZINC000840188343 630815125 /nfs/dbraw/zinc/81/51/25/630815125.db2.gz IKZABADFWBJZJZ-CQSZACIVSA-N 1 1 275.392 3.331 20 10 CGCDMO CCCN(CC)C[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000810264017 630862324 /nfs/dbraw/zinc/86/23/24/630862324.db2.gz WAMAVIXRDRBSJM-STQMWFEESA-N 1 1 282.403 3.302 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+](C(C)C)[C@@H]2CCOC2)c1O ZINC000812777162 631306873 /nfs/dbraw/zinc/30/68/73/631306873.db2.gz YCZVNJPTLVGKHG-CQSZACIVSA-N 1 1 283.799 3.353 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2ccc(C)cc2O)c1 ZINC000876534124 634852125 /nfs/dbraw/zinc/85/21/25/634852125.db2.gz ZUOSBDFKHMKYKD-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO Cc1cc(C[N@H+]2CCOC(C)(C)[C@@H]2C)ccc1N(C)C ZINC000815062304 631710227 /nfs/dbraw/zinc/71/02/27/631710227.db2.gz IGQJMMMAUQCLQT-AWEZNQCLSA-N 1 1 276.424 3.060 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](n3cc(C)cn3)C2)cc1 ZINC000815119141 631721771 /nfs/dbraw/zinc/72/17/71/631721771.db2.gz QEONLVHTOSWBTI-SFHVURJKSA-N 1 1 298.434 3.095 20 10 CGCDMO CC(C)[C@@H]1[N@@H+](Cc2cc(F)ccc2O)CC1(C)C ZINC000816625189 632026778 /nfs/dbraw/zinc/02/67/78/632026778.db2.gz VWXLHQUFMIOPKU-AWEZNQCLSA-N 1 1 251.345 3.398 20 10 CGCDMO CC(C)[C@H]1[N@@H+](Cc2cc(F)ccc2O)CC1(C)C ZINC000816625190 632026915 /nfs/dbraw/zinc/02/69/15/632026915.db2.gz VWXLHQUFMIOPKU-CQSZACIVSA-N 1 1 251.345 3.398 20 10 CGCDMO Cc1cc(Br)cc(C[N@@H+]2C[C@@H](C)[C@H]2C)c1O ZINC000816649142 632037465 /nfs/dbraw/zinc/03/74/65/632037465.db2.gz UXEJVHGBRYHYJZ-NXEZZACHSA-N 1 1 284.197 3.303 20 10 CGCDMO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2O)CCO1 ZINC000817586008 632191320 /nfs/dbraw/zinc/19/13/20/632191320.db2.gz KVJJWQIRWZEOOZ-CYZMBNFOSA-N 1 1 267.344 3.140 20 10 CGCDMO C[C@H](NCC1([NH3+])CCCCC1)c1ccc(N(C)C)cc1 ZINC000817936047 632238006 /nfs/dbraw/zinc/23/80/06/632238006.db2.gz MNXGAYXCVWSWTG-AWEZNQCLSA-N 1 1 275.440 3.065 20 10 CGCDMO Cc1ccc([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)o1 ZINC000817938687 632239583 /nfs/dbraw/zinc/23/95/83/632239583.db2.gz PUWDELWFIJWUSM-CJNGLKHVSA-N 1 1 287.407 3.005 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc2ccccc2c1[O-] ZINC000817946581 632243366 /nfs/dbraw/zinc/24/33/66/632243366.db2.gz ZWSXDKJARHGZKT-UONOGXRCSA-N 1 1 284.403 3.196 20 10 CGCDMO CCC([NH3+])(CC)CN[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000817961034 632256132 /nfs/dbraw/zinc/25/61/32/632256132.db2.gz WMBRADRZANJPAH-CMPLNLGQSA-N 1 1 280.387 3.187 20 10 CGCDMO C[C@H](CN)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817966650 632261247 /nfs/dbraw/zinc/26/12/47/632261247.db2.gz SJRGTCDUKDGFBR-HUUCEWRRSA-N 1 1 275.440 3.065 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc2ccccc2c1[O-] ZINC000817976552 632267158 /nfs/dbraw/zinc/26/71/58/632267158.db2.gz NJCQPRCPHSOKJK-CXAGYDPISA-N 1 1 296.414 3.338 20 10 CGCDMO C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc(Cl)ccc1[O-] ZINC000817985474 632273942 /nfs/dbraw/zinc/27/39/42/632273942.db2.gz KLULDKOPATXMAX-AAEUAGOBSA-N 1 1 294.826 3.371 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@@]2(C)CCCS2)cc1 ZINC000820850772 632686419 /nfs/dbraw/zinc/68/64/19/632686419.db2.gz HDXNEOYHRPYWGS-MRXNPFEDSA-N 1 1 278.465 3.470 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@H]1C)c1ccc(F)cc1O ZINC000866446536 633136240 /nfs/dbraw/zinc/13/62/40/633136240.db2.gz FOJHCVDJZPVQKT-XXSPCDMZSA-N 1 1 267.344 3.138 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1ccc(F)cc1O ZINC000866449530 633139476 /nfs/dbraw/zinc/13/94/76/633139476.db2.gz CTKXBJNGVBEBIH-JIMOISOXSA-N 1 1 255.308 3.463 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1ccc(F)cc1O ZINC000866538534 633181416 /nfs/dbraw/zinc/18/14/16/633181416.db2.gz SPMUDIKJKAQEGP-FFSVYQOJSA-N 1 1 293.382 3.245 20 10 CGCDMO COC[C@]1(C)CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000824583188 633261990 /nfs/dbraw/zinc/26/19/90/633261990.db2.gz IXGVOMLWRZHPRZ-GOSISDBHSA-N 1 1 285.387 3.404 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H]1C1CC1 ZINC000824650089 633267515 /nfs/dbraw/zinc/26/75/15/633267515.db2.gz HZWIMSONOTYXCD-NSHDSACASA-N 1 1 255.720 3.169 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@H]1C1CC1 ZINC000824650089 633267517 /nfs/dbraw/zinc/26/75/17/633267517.db2.gz HZWIMSONOTYXCD-NSHDSACASA-N 1 1 255.720 3.169 20 10 CGCDMO CCC[N@@H+](Cc1ccnn1CC1CC1)Cc1ccccc1O ZINC000824650036 633267686 /nfs/dbraw/zinc/26/76/86/633267686.db2.gz LNAHNYAPQSMGBM-UHFFFAOYSA-N 1 1 299.418 3.411 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]2C2CC2)c1O ZINC000824650443 633268835 /nfs/dbraw/zinc/26/88/35/633268835.db2.gz NSCJCWTZINGULY-CYBMUJFWSA-N 1 1 251.757 3.338 20 10 CGCDMO CO[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1C ZINC000824815449 633294761 /nfs/dbraw/zinc/29/47/61/633294761.db2.gz PHADIHVQVBZQIB-ZANVPECISA-N 1 1 287.762 3.042 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1C ZINC000824815449 633294768 /nfs/dbraw/zinc/29/47/68/633294768.db2.gz PHADIHVQVBZQIB-ZANVPECISA-N 1 1 287.762 3.042 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)[C@H](CO)CC(C)(C)C)cc1C ZINC000825040636 633320723 /nfs/dbraw/zinc/32/07/23/633320723.db2.gz QKHSDRHAYJHCEX-HNNXBMFYSA-N 1 1 279.424 3.238 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000825215072 633335823 /nfs/dbraw/zinc/33/58/23/633335823.db2.gz FXGZRSPRCOSJPL-OAHLLOKOSA-N 1 1 281.396 3.250 20 10 CGCDMO CCCC[N@@H+](Cc1cnn2c1CCC2)Cc1ccccc1O ZINC000825789399 633381963 /nfs/dbraw/zinc/38/19/63/633381963.db2.gz QLMSTUVNVKXLRZ-UHFFFAOYSA-N 1 1 299.418 3.337 20 10 CGCDMO C[C@]1(C2CC2)C[N@@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC000826878310 633440114 /nfs/dbraw/zinc/44/01/14/633440114.db2.gz WUOZGLRFQYNAHN-OAHLLOKOSA-N 1 1 281.783 3.047 20 10 CGCDMO C[C@]1(C2CC2)CN(Cc2cccc(Cl)c2[O-])CCO1 ZINC000826878310 633440116 /nfs/dbraw/zinc/44/01/16/633440116.db2.gz WUOZGLRFQYNAHN-OAHLLOKOSA-N 1 1 281.783 3.047 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000827370972 633485762 /nfs/dbraw/zinc/48/57/62/633485762.db2.gz NJNIALIGPZQMMK-NEPJUHHUSA-N 1 1 283.799 3.353 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](C3CCC3)C2)c1 ZINC000827627504 633504205 /nfs/dbraw/zinc/50/42/05/633504205.db2.gz UXUWZESDDYJDRN-CQSZACIVSA-N 1 1 275.392 3.413 20 10 CGCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CC1(C)C ZINC000827941479 633538299 /nfs/dbraw/zinc/53/82/99/633538299.db2.gz FMRROPFFESEDBT-INIZCTEOSA-N 1 1 288.435 3.001 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1 ZINC000828905254 633668191 /nfs/dbraw/zinc/66/81/91/633668191.db2.gz MEQTXJPVGDSWLB-AEFFLSMTSA-N 1 1 288.435 3.144 20 10 CGCDMO CC[C@@H](CO)[N@@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000830351998 633855822 /nfs/dbraw/zinc/85/58/22/633855822.db2.gz GFMBTGGCOOCSOJ-KRWDZBQOSA-N 1 1 290.451 3.188 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)c1nccnc1C)c1ccc(F)cc1O ZINC000872133071 634054926 /nfs/dbraw/zinc/05/49/26/634054926.db2.gz JXXHJFKACLDNFF-BXUZGUMPSA-N 1 1 289.354 3.432 20 10 CGCDMO Cc1ccc2nc(C[NH2+][C@@H]3CCc4cccc(O)c43)[nH]c2c1 ZINC000834613115 634198664 /nfs/dbraw/zinc/19/86/64/634198664.db2.gz ZOMAHKZTGHBGDF-CQSZACIVSA-N 1 1 293.370 3.354 20 10 CGCDMO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)c2c1c(F)ccc2[O-] ZINC000873240281 634298269 /nfs/dbraw/zinc/29/82/69/634298269.db2.gz NGKFWGXKUDXHQC-BYNQJWBRSA-N 1 1 292.398 3.187 20 10 CGCDMO CCc1nocc1C[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835055744 634339698 /nfs/dbraw/zinc/33/96/98/634339698.db2.gz OGLBYTVKDPIEPP-VOTSOKGWSA-N 1 1 299.418 3.448 20 10 CGCDMO CCc1nocc1C[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835055744 634339704 /nfs/dbraw/zinc/33/97/04/634339704.db2.gz OGLBYTVKDPIEPP-VOTSOKGWSA-N 1 1 299.418 3.448 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)CC(OCC)OCC ZINC000124490110 634342371 /nfs/dbraw/zinc/34/23/71/634342371.db2.gz LIOPVQKFNBYVRT-UHFFFAOYSA-N 1 1 281.396 3.003 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+](C)Cc1nc2ccccc2n1C ZINC000876732204 634887768 /nfs/dbraw/zinc/88/77/68/634887768.db2.gz ZFNXGELIFJJQNS-UHFFFAOYSA-N 1 1 295.386 3.219 20 10 CGCDMO Cc1cccc(O)c1C[N@H+](C)Cc1nc2ccccc2n1C ZINC000876732204 634887770 /nfs/dbraw/zinc/88/77/70/634887770.db2.gz ZFNXGELIFJJQNS-UHFFFAOYSA-N 1 1 295.386 3.219 20 10 CGCDMO Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c(O)c1 ZINC000876762586 634895739 /nfs/dbraw/zinc/89/57/39/634895739.db2.gz DGGOHRZYGDAKOF-SJORKVTESA-N 1 1 288.435 3.148 20 10 CGCDMO Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(C)C)c(O)c1 ZINC000876762586 634895740 /nfs/dbraw/zinc/89/57/40/634895740.db2.gz DGGOHRZYGDAKOF-SJORKVTESA-N 1 1 288.435 3.148 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(C)C)c(O)c1 ZINC000876762586 634895744 /nfs/dbraw/zinc/89/57/44/634895744.db2.gz DGGOHRZYGDAKOF-SJORKVTESA-N 1 1 288.435 3.148 20 10 CGCDMO C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876897196 634923572 /nfs/dbraw/zinc/92/35/72/634923572.db2.gz QXGVTQMLPOOSAP-LBPRGKRZSA-N 1 1 298.377 3.025 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000877529148 635073390 /nfs/dbraw/zinc/07/33/90/635073390.db2.gz UOHDLYFPQQLSNO-JKSUJKDBSA-N 1 1 289.419 3.339 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c(O)c1 ZINC000877529289 635073594 /nfs/dbraw/zinc/07/35/94/635073594.db2.gz YJJBGQDJHYYUOU-HOTGVXAUSA-N 1 1 289.419 3.339 20 10 CGCDMO CCc1cc(C[NH2+]Cc2c(O)cc(C)cc2Cl)on1 ZINC000840899209 635078289 /nfs/dbraw/zinc/07/82/89/635078289.db2.gz HWCSKHFDDFTKOA-UHFFFAOYSA-N 1 1 280.755 3.194 20 10 CGCDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840907305 635080057 /nfs/dbraw/zinc/08/00/57/635080057.db2.gz CKLJZUOHUOWGJS-QGZVFWFLSA-N 1 1 276.424 3.062 20 10 CGCDMO CC[N@H+](Cc1c(O)cc(C)cc1Cl)C[C@@H]1CCOC1 ZINC000840909446 635080424 /nfs/dbraw/zinc/08/04/24/635080424.db2.gz CAWIGKXCZUNKQL-LBPRGKRZSA-N 1 1 283.799 3.212 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCc2ncsc2C1 ZINC000840940302 635086952 /nfs/dbraw/zinc/08/69/52/635086952.db2.gz WYZBZNDTAUNGFT-UHFFFAOYSA-N 1 1 287.432 3.076 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)C1CCC(CO)CC1 ZINC000840945312 635089676 /nfs/dbraw/zinc/08/96/76/635089676.db2.gz IOHFHGXHJORRMI-UHFFFAOYSA-N 1 1 290.451 3.044 20 10 CGCDMO Cc1ccc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)c1 ZINC000841040786 635112568 /nfs/dbraw/zinc/11/25/68/635112568.db2.gz TUCOGIHNRKWMFR-IBGZPJMESA-N 1 1 297.446 3.159 20 10 CGCDMO Cc1cccc(C)c1CNC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841044940 635113400 /nfs/dbraw/zinc/11/34/00/635113400.db2.gz GIIOSLZPINKVCP-LJQANCHMSA-N 1 1 297.446 3.159 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000841088531 635119504 /nfs/dbraw/zinc/11/95/04/635119504.db2.gz YZYHVKYWKXSMMA-DOMZBBRYSA-N 1 1 294.826 3.010 20 10 CGCDMO Oc1ccc(Cl)cc1CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000841088531 635119509 /nfs/dbraw/zinc/11/95/09/635119509.db2.gz YZYHVKYWKXSMMA-DOMZBBRYSA-N 1 1 294.826 3.010 20 10 CGCDMO [O-]c1ccc(Cl)cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000841088531 635119512 /nfs/dbraw/zinc/11/95/12/635119512.db2.gz YZYHVKYWKXSMMA-DOMZBBRYSA-N 1 1 294.826 3.010 20 10 CGCDMO [O-]c1ccc(Cl)cc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000841088531 635119516 /nfs/dbraw/zinc/11/95/16/635119516.db2.gz YZYHVKYWKXSMMA-DOMZBBRYSA-N 1 1 294.826 3.010 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c(O)c1 ZINC000877633831 635123598 /nfs/dbraw/zinc/12/35/98/635123598.db2.gz RZBXVJUYQNJGAH-SJLPKXTDSA-N 1 1 289.419 3.482 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)c(O)c1 ZINC000877660103 635135187 /nfs/dbraw/zinc/13/51/87/635135187.db2.gz JIPQHBDINKTJMX-HNNXBMFYSA-N 1 1 283.371 3.396 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](c2ccc(O)cc2)C1 ZINC000877660102 635135680 /nfs/dbraw/zinc/13/56/80/635135680.db2.gz JELCHWBVVHNSAX-OAHLLOKOSA-N 1 1 283.371 3.396 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1CCCn2nccc21 ZINC000877778550 635200191 /nfs/dbraw/zinc/20/01/91/635200191.db2.gz PSJUPBXFVVMXOA-LBPRGKRZSA-N 1 1 295.745 3.006 20 10 CGCDMO CC(C)(O)[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000877797004 635208296 /nfs/dbraw/zinc/20/82/96/635208296.db2.gz ONSUJMBWSSRLGZ-NSHDSACASA-N 1 1 283.799 3.029 20 10 CGCDMO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccc(Cl)cc1O ZINC000841745585 635221842 /nfs/dbraw/zinc/22/18/42/635221842.db2.gz QIYVNXJWHTWCMA-ZYHUDNBSSA-N 1 1 269.772 3.265 20 10 CGCDMO Cc1csc([C@@H]2CC[N@@H+](Cc3ccc(C)cc3O)C2)n1 ZINC000877814640 635222530 /nfs/dbraw/zinc/22/25/30/635222530.db2.gz VUXKPZSMHLRCEF-CQSZACIVSA-N 1 1 288.416 3.455 20 10 CGCDMO C[C@H]([NH2+]CC(C)(C)CCCO)c1ccc(Cl)cc1O ZINC000841748906 635225573 /nfs/dbraw/zinc/22/55/73/635225573.db2.gz AGGRFBVGGAVOIT-NSHDSACASA-N 1 1 285.815 3.495 20 10 CGCDMO CS[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841751148 635225750 /nfs/dbraw/zinc/22/57/50/635225750.db2.gz LNVLEGMTOYEBMS-IUCAKERBSA-N 1 1 259.802 3.448 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccc(Cl)cc1O ZINC000841751209 635225866 /nfs/dbraw/zinc/22/58/66/635225866.db2.gz FXPNHQJVHSGTEY-GBIKHYSHSA-N 1 1 269.772 3.121 20 10 CGCDMO C[C@@H]([NH2+]CC[C@H](C)CCO)c1ccc(Cl)cc1O ZINC000841755567 635230095 /nfs/dbraw/zinc/23/00/95/635230095.db2.gz JHRAPQRTCKCWRW-WDEREUQCSA-N 1 1 271.788 3.105 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)C(C)(C)CN2CCCC2)c1 ZINC000841893238 635249322 /nfs/dbraw/zinc/24/93/22/635249322.db2.gz HIBJOJZZOHQWAF-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](C)C(C)(C)CN2CCCC2)c1 ZINC000841893238 635249328 /nfs/dbraw/zinc/24/93/28/635249328.db2.gz HIBJOJZZOHQWAF-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO C[C@]1(C[N@H+](Cc2ccccc2[O-])C2CCCC2)CC[NH2+]C1 ZINC000843064877 635555157 /nfs/dbraw/zinc/55/51/57/635555157.db2.gz ZPTPJXJNXROANO-SFHVURJKSA-N 1 1 288.435 3.136 20 10 CGCDMO C[C@]1(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CC[NH2+]C1 ZINC000843064877 635555160 /nfs/dbraw/zinc/55/51/60/635555160.db2.gz ZPTPJXJNXROANO-SFHVURJKSA-N 1 1 288.435 3.136 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCc3ccccc3[C@H]2CN)cc1C ZINC000843129895 635563643 /nfs/dbraw/zinc/56/36/43/635563643.db2.gz SYFQPFWHEUBXPQ-GOSISDBHSA-N 1 1 296.414 3.067 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCc3ccccc3[C@H]2CN)cc1C ZINC000843129895 635563647 /nfs/dbraw/zinc/56/36/47/635563647.db2.gz SYFQPFWHEUBXPQ-GOSISDBHSA-N 1 1 296.414 3.067 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c1O ZINC000843419995 635664844 /nfs/dbraw/zinc/66/48/44/635664844.db2.gz XWNDEXOKXAMIRC-OAHLLOKOSA-N 1 1 268.360 3.085 20 10 CGCDMO Oc1c(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)ccc2ccccc21 ZINC000843420661 635665576 /nfs/dbraw/zinc/66/55/76/635665576.db2.gz BSRNALFVSUPOKT-PBHICJAKSA-N 1 1 283.371 3.156 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2ncccn2)cc1 ZINC000878975331 635668863 /nfs/dbraw/zinc/66/88/63/635668863.db2.gz BFBYTGZBHQVSOC-KRWDZBQOSA-N 1 1 296.418 3.270 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H]2c2ncccn2)cc1 ZINC000878975331 635668865 /nfs/dbraw/zinc/66/88/65/635668865.db2.gz BFBYTGZBHQVSOC-KRWDZBQOSA-N 1 1 296.418 3.270 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](c3nccs3)C2)cc1 ZINC000880321374 635974923 /nfs/dbraw/zinc/97/49/23/635974923.db2.gz SHJNXFHTYIYIEC-AWEZNQCLSA-N 1 1 287.432 3.199 20 10 CGCDMO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000846015065 636129735 /nfs/dbraw/zinc/12/97/35/636129735.db2.gz UMHXKNWDGDBSBR-RNCFNFMXSA-N 1 1 289.778 3.071 20 10 CGCDMO CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)[C@@H]1CCCOC1 ZINC000846052636 636139139 /nfs/dbraw/zinc/13/91/39/636139139.db2.gz PLPWBGVTYOJTTR-LZCIBIBXSA-N 1 1 288.435 3.267 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@H](C)OCC23CCC3)cc1C ZINC000846067873 636141276 /nfs/dbraw/zinc/14/12/76/636141276.db2.gz ZPFXGKZFVOWEOX-AWEZNQCLSA-N 1 1 275.392 3.152 20 10 CGCDMO C[C@H](CCO)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000846112656 636145553 /nfs/dbraw/zinc/14/55/53/636145553.db2.gz WEXFOWTZRJPKHQ-CQSZACIVSA-N 1 1 285.387 3.262 20 10 CGCDMO CCC[N@H+](CC)C[C@@H](C)N[C@@H](C)c1cccc(OC)c1O ZINC000846170472 636152931 /nfs/dbraw/zinc/15/29/31/636152931.db2.gz LJDYDIXWUFNVNO-KGLIPLIRSA-N 1 1 294.439 3.172 20 10 CGCDMO CCC[N@@H+](CC)C[C@@H](C)N[C@@H](C)c1cccc(OC)c1O ZINC000846170472 636152935 /nfs/dbraw/zinc/15/29/35/636152935.db2.gz LJDYDIXWUFNVNO-KGLIPLIRSA-N 1 1 294.439 3.172 20 10 CGCDMO CC(C)CC[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000130718291 636501211 /nfs/dbraw/zinc/50/12/11/636501211.db2.gz ZFSYFWNOGSGZNM-UHFFFAOYSA-N 1 1 294.414 3.140 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)CCC(C)C)c1 ZINC000130725569 636503564 /nfs/dbraw/zinc/50/35/64/636503564.db2.gz JJKGBJNUORYARB-UHFFFAOYSA-N 1 1 251.370 3.269 20 10 CGCDMO CCO[C@H](CC[NH2+]Cc1cc(F)cc(F)c1O)C(C)C ZINC000883026943 636510628 /nfs/dbraw/zinc/51/06/28/636510628.db2.gz KJTOLTZCTWHJMZ-CQSZACIVSA-N 1 1 287.350 3.211 20 10 CGCDMO CCc1noc(CC)c1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000883036066 636515558 /nfs/dbraw/zinc/51/55/58/636515558.db2.gz YUHDJSLDFKGVDG-UHFFFAOYSA-N 1 1 296.317 3.073 20 10 CGCDMO CC(C)c1c[nH]c(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000883092184 636537871 /nfs/dbraw/zinc/53/78/71/636537871.db2.gz IBRAEJAOVCJAMP-CYBMUJFWSA-N 1 1 286.423 3.450 20 10 CGCDMO CCc1cccc(C[N@H+](C)C2CCN(C(C)C)CC2)c1O ZINC000848880088 636670406 /nfs/dbraw/zinc/67/04/06/636670406.db2.gz CULWDKAXVYOOMS-UHFFFAOYSA-N 1 1 290.451 3.259 20 10 CGCDMO CCc1cccc(C[N@@H+](C)C2CCN(C(C)C)CC2)c1O ZINC000848880088 636670411 /nfs/dbraw/zinc/67/04/11/636670411.db2.gz CULWDKAXVYOOMS-UHFFFAOYSA-N 1 1 290.451 3.259 20 10 CGCDMO CCC[N@@H+](Cc1cnc(Cl)n1C)Cc1ccccc1O ZINC000848883253 636672147 /nfs/dbraw/zinc/67/21/47/636672147.db2.gz BSOIIQLMODUDIC-UHFFFAOYSA-N 1 1 293.798 3.191 20 10 CGCDMO CCc1cccc(C[N@H+]2CCSC[C@@H]2C2CC2)c1O ZINC000848917018 636690264 /nfs/dbraw/zinc/69/02/64/636690264.db2.gz ZMCLQNAZYXZGCP-OAHLLOKOSA-N 1 1 277.433 3.282 20 10 CGCDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)C1CCCCCC1 ZINC000028746110 636832633 /nfs/dbraw/zinc/83/26/33/636832633.db2.gz HPKVTACZPZIVGU-UHFFFAOYSA-N 1 1 277.364 3.276 20 10 CGCDMO C[C@@H]1C[NH+](Cc2cccc(Br)c2O)C[C@H]1C ZINC000132754926 636835374 /nfs/dbraw/zinc/83/53/74/636835374.db2.gz FGHPRFFTCNSTON-NXEZZACHSA-N 1 1 284.197 3.243 20 10 CGCDMO CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2c([O-])cccc2F)C1 ZINC000886522025 637551268 /nfs/dbraw/zinc/55/12/68/637551268.db2.gz AMSJGLUYZCADRC-UONOGXRCSA-N 1 1 294.414 3.302 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c1O ZINC000219816566 637561181 /nfs/dbraw/zinc/56/11/81/637561181.db2.gz UDKOYKSKEPLTEO-OLZOCXBDSA-N 1 1 263.381 3.269 20 10 CGCDMO C[C@H](Cc1ccncc1)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886536411 637561237 /nfs/dbraw/zinc/56/12/37/637561237.db2.gz HBJWSDVPLVJELG-NEPJUHHUSA-N 1 1 274.339 3.208 20 10 CGCDMO COCCC1(C[NH2+][C@H](C)c2c(O)cccc2F)CCC1 ZINC000886540419 637565364 /nfs/dbraw/zinc/56/53/64/637565364.db2.gz DVELNUNLKITZTJ-GFCCVEGCSA-N 1 1 281.371 3.389 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1c(O)cccc1F ZINC000886553900 637578050 /nfs/dbraw/zinc/57/80/50/637578050.db2.gz XTGINKYNGUGZGK-LLVKDONJSA-N 1 1 287.334 3.412 20 10 CGCDMO C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1c(O)cccc1F ZINC000886559752 637581825 /nfs/dbraw/zinc/58/18/25/637581825.db2.gz CTIVFFWIBBTTCZ-MXWKQRLJSA-N 1 1 267.344 3.138 20 10 CGCDMO C[C@@H](CCO)C1(C[NH2+][C@@H](C)c2c(O)cccc2F)CCC1 ZINC000886562087 637583090 /nfs/dbraw/zinc/58/30/90/637583090.db2.gz QHHJCERBSMTTNI-STQMWFEESA-N 1 1 295.398 3.371 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1c(O)cccc1F ZINC000886577000 637588240 /nfs/dbraw/zinc/58/82/40/637588240.db2.gz UZYVHVVAJIIXEM-RKDXNWHRSA-N 1 1 259.271 3.370 20 10 CGCDMO C[C@H]([NH2+]CC[C@@H]1CCCCO1)c1c(O)cccc1F ZINC000886587583 637593372 /nfs/dbraw/zinc/59/33/72/637593372.db2.gz BGILCXFVTHGFEY-RYUDHWBXSA-N 1 1 267.344 3.141 20 10 CGCDMO CSC1(C[NH2+][C@H](C)c2c(O)cccc2F)CC1 ZINC000886602941 637600249 /nfs/dbraw/zinc/60/02/49/637600249.db2.gz CUSAHPUECKYBPM-SECBINFHSA-N 1 1 255.358 3.078 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCCSC1)c1c(O)cccc1F ZINC000886611139 637604631 /nfs/dbraw/zinc/60/46/31/637604631.db2.gz UMOOTUOMJVBGNW-GHMZBOCLSA-N 1 1 269.385 3.325 20 10 CGCDMO CO[C@@H](C[NH2+][C@H](C)c1c(O)cccc1F)CC(C)C ZINC000886627223 637615875 /nfs/dbraw/zinc/61/58/75/637615875.db2.gz WLJQHWMTFKDVEV-VXGBXAGGSA-N 1 1 269.360 3.243 20 10 CGCDMO CO[C@H](C[NH2+][C@H](C)c1c(O)cccc1F)CC(C)C ZINC000886627220 637616173 /nfs/dbraw/zinc/61/61/73/637616173.db2.gz WLJQHWMTFKDVEV-NEPJUHHUSA-N 1 1 269.360 3.243 20 10 CGCDMO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886631612 637619418 /nfs/dbraw/zinc/61/94/18/637619418.db2.gz RBLQNKYBUAZDOJ-ZKYQVNSYSA-N 1 1 267.344 3.140 20 10 CGCDMO C[C@H]([NH2+]CCCOC(C)(C)C)c1c(O)cccc1F ZINC000886638095 637623158 /nfs/dbraw/zinc/62/31/58/637623158.db2.gz LOJKHJOOFMTYHP-NSHDSACASA-N 1 1 269.360 3.387 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)CO)cc1 ZINC000852427055 637651671 /nfs/dbraw/zinc/65/16/71/637651671.db2.gz ZOYSTPWAXTWJQX-QAPCUYQASA-N 1 1 290.451 3.126 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1c(O)cccc1F ZINC000886703209 637666669 /nfs/dbraw/zinc/66/66/69/637666669.db2.gz PEGFKOYUGCZNBL-NEPJUHHUSA-N 1 1 279.355 3.141 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCO[C@@](C)(C3CC3)C2)c1 ZINC000853527827 637863007 /nfs/dbraw/zinc/86/30/07/637863007.db2.gz GBUNIMTXTZGWME-QGZVFWFLSA-N 1 1 275.392 3.010 20 10 CGCDMO C[N@@H+](CC1=CCCOC1)Cc1c(O)ccc2ccccc21 ZINC000853561716 637866579 /nfs/dbraw/zinc/86/65/79/637866579.db2.gz OOHSAJIRCMWEEW-UHFFFAOYSA-N 1 1 283.371 3.324 20 10 CGCDMO CCOC[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000113923344 638304744 /nfs/dbraw/zinc/30/47/44/638304744.db2.gz JCBMOTWYXISZSC-AWEZNQCLSA-N 1 1 289.419 3.129 20 10 CGCDMO CCC[N@@H+](Cc1cn(C)nc1Cl)Cc1ccccc1O ZINC000857014191 638426008 /nfs/dbraw/zinc/42/60/08/638426008.db2.gz KOAWHQHJTWIPNQ-UHFFFAOYSA-N 1 1 293.798 3.191 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+](CC2CC2)C(C)C)c1O ZINC000042587979 639917915 /nfs/dbraw/zinc/91/79/15/639917915.db2.gz WEHGCGIVLSZNJY-UHFFFAOYSA-N 1 1 279.355 3.354 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+](CC2CC2)C(C)C)c1O ZINC000042587979 639917927 /nfs/dbraw/zinc/91/79/27/639917927.db2.gz WEHGCGIVLSZNJY-UHFFFAOYSA-N 1 1 279.355 3.354 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1C ZINC000246496345 640677859 /nfs/dbraw/zinc/67/78/59/640677859.db2.gz HIYFDOYGQUDYHW-GUYCJALGSA-N 1 1 299.418 3.289 20 10 CGCDMO C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(N(C)C)cc1 ZINC000247146654 640710919 /nfs/dbraw/zinc/71/09/19/640710919.db2.gz REKWXJJEGQCISP-YXJHDRRASA-N 1 1 289.467 3.276 20 10 CGCDMO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccccc1O ZINC000305750358 640902065 /nfs/dbraw/zinc/90/20/65/640902065.db2.gz ZHXLDKCPLLJDBQ-KRWDZBQOSA-N 1 1 285.387 3.165 20 10 CGCDMO Cc1c[nH+]c(N(C)Cc2ccc(N(C)C)cc2)c(C)c1 ZINC001156924090 805753468 /nfs/dbraw/zinc/75/34/68/805753468.db2.gz PMHUEEAIMYPKPH-UHFFFAOYSA-N 1 1 269.392 3.401 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+](C)C(C)(C)C)c1O ZINC000382316612 799395215 /nfs/dbraw/zinc/39/52/15/799395215.db2.gz VINVBWNRNLVWLZ-UHFFFAOYSA-N 1 1 257.761 3.285 20 10 CGCDMO Cc1cc(C[NH2+]Cc2nccn2C)c(C)n1-c1ccccc1 ZINC000388281879 799451503 /nfs/dbraw/zinc/45/15/03/799451503.db2.gz ZUESUQPAJYWLSK-UHFFFAOYSA-N 1 1 294.402 3.117 20 10 CGCDMO C[N@@H+](CCOC(C)(C)C)Cc1cc(Cl)ccc1O ZINC000690116869 799773220 /nfs/dbraw/zinc/77/32/20/799773220.db2.gz YYJRORRQYWERSD-UHFFFAOYSA-N 1 1 271.788 3.293 20 10 CGCDMO C[C@H](Cc1ccccn1)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000694009346 799819082 /nfs/dbraw/zinc/81/90/82/799819082.db2.gz ZHUHAIGKOSOHEY-NEPJUHHUSA-N 1 1 274.339 3.208 20 10 CGCDMO CCC(F)(F)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000700170393 799869070 /nfs/dbraw/zinc/86/90/70/799869070.db2.gz YJRGVPAGSIXHMS-VIFPVBQESA-N 1 1 259.296 3.097 20 10 CGCDMO CC(C)C[N@@H+](C)Cc1c(O)cccc1Br ZINC000707128909 799974257 /nfs/dbraw/zinc/97/42/57/799974257.db2.gz BUBQMWBKRXZBRT-UHFFFAOYSA-N 1 1 272.186 3.243 20 10 CGCDMO CC[N@H+](CCC(F)(F)F)Cc1cc(F)cc(F)c1O ZINC000708382829 799987467 /nfs/dbraw/zinc/98/74/67/799987467.db2.gz IKLHOSSUVOCANM-UHFFFAOYSA-N 1 1 283.240 3.445 20 10 CGCDMO CC[N@@H+](CCC(F)(F)F)Cc1cc(F)cc(F)c1O ZINC000708382829 799987471 /nfs/dbraw/zinc/98/74/71/799987471.db2.gz IKLHOSSUVOCANM-UHFFFAOYSA-N 1 1 283.240 3.445 20 10 CGCDMO CC(C)OC1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000708443603 799988580 /nfs/dbraw/zinc/98/85/80/799988580.db2.gz PSRNZYPCRASUFH-UHFFFAOYSA-N 1 1 285.334 3.060 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C[C@@H]1C ZINC000708424653 799989165 /nfs/dbraw/zinc/98/91/65/799989165.db2.gz ZBLQKABDBNZXQY-ZJUUUORDSA-N 1 1 255.308 3.148 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C[C@@H]1C ZINC000708424653 799989169 /nfs/dbraw/zinc/98/91/69/799989169.db2.gz ZBLQKABDBNZXQY-ZJUUUORDSA-N 1 1 255.308 3.148 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C[C@@H]1C ZINC000708424653 799989172 /nfs/dbraw/zinc/98/91/72/799989172.db2.gz ZBLQKABDBNZXQY-ZJUUUORDSA-N 1 1 255.308 3.148 20 10 CGCDMO C[C@@H](CC(F)(F)F)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708455192 799989203 /nfs/dbraw/zinc/98/92/03/799989203.db2.gz UWKCBYSVOGZYQD-LURJTMIESA-N 1 1 269.213 3.101 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCCC1(F)F ZINC000708517819 799990638 /nfs/dbraw/zinc/99/06/38/799990638.db2.gz UQIAAXTUJLLYJQ-VIFPVBQESA-N 1 1 277.261 3.195 20 10 CGCDMO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2O)C1 ZINC000708603040 799992233 /nfs/dbraw/zinc/99/22/33/799992233.db2.gz XGDIKIWXXCEGEQ-GFCCVEGCSA-N 1 1 259.271 3.167 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](CF)C2)c1O ZINC000711468491 800061060 /nfs/dbraw/zinc/06/10/60/800061060.db2.gz DWKJTTWWUSUKNT-SNVBAGLBSA-N 1 1 285.746 3.040 20 10 CGCDMO C[C@H]([NH2+]CC[C@H]1CCCS1)c1ccc(F)cc1O ZINC000715721417 800144596 /nfs/dbraw/zinc/14/45/96/800144596.db2.gz VNPHQCBCIGQNMO-CMPLNLGQSA-N 1 1 269.385 3.468 20 10 CGCDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2ncc(Cl)s2)c1 ZINC000719430848 800239174 /nfs/dbraw/zinc/23/91/74/800239174.db2.gz OZPFBLAHMCQWCC-QMMMGPOBSA-N 1 1 298.795 3.362 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000720504641 800260430 /nfs/dbraw/zinc/26/04/30/800260430.db2.gz ZWAREGNZSGXBOK-CYBMUJFWSA-N 1 1 271.360 3.156 20 10 CGCDMO COc1cc(C)cc(C[N@@H+]2Cc3cccc(F)c3C2)c1O ZINC000840161138 800496392 /nfs/dbraw/zinc/49/63/92/800496392.db2.gz GSMLJANDNIVZIX-UHFFFAOYSA-N 1 1 287.334 3.364 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2Cc3cccc(F)c3C2)c1O ZINC000840161138 800496395 /nfs/dbraw/zinc/49/63/95/800496395.db2.gz GSMLJANDNIVZIX-UHFFFAOYSA-N 1 1 287.334 3.364 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C/C=C\C1CC1 ZINC001117722254 802481260 /nfs/dbraw/zinc/48/12/60/802481260.db2.gz PGQNCAPRECWIAE-UPHRSURJSA-N 1 1 255.720 3.241 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCC2)o1)Cc1ccccc1O ZINC001137069613 803679525 /nfs/dbraw/zinc/67/95/25/803679525.db2.gz FPMGDVOSYVBKCO-UHFFFAOYSA-N 1 1 286.375 3.217 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC001137837859 803780077 /nfs/dbraw/zinc/78/00/77/803780077.db2.gz XJSFQVJRLXHCIE-OAHLLOKOSA-N 1 1 272.323 3.263 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC001137837859 803780080 /nfs/dbraw/zinc/78/00/80/803780080.db2.gz XJSFQVJRLXHCIE-OAHLLOKOSA-N 1 1 272.323 3.263 20 10 CGCDMO CC(=O)C[N@@H+](C)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137854045 803784179 /nfs/dbraw/zinc/78/41/79/803784179.db2.gz GIJIACLAQUZODV-UHFFFAOYSA-N 1 1 270.376 3.115 20 10 CGCDMO CC(=O)C[N@H+](C)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137854045 803784186 /nfs/dbraw/zinc/78/41/86/803784186.db2.gz GIJIACLAQUZODV-UHFFFAOYSA-N 1 1 270.376 3.115 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001138122666 803863859 /nfs/dbraw/zinc/86/38/59/803863859.db2.gz STSGHWIHXLCZKV-NXEZZACHSA-N 1 1 295.251 3.111 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001138122666 803863868 /nfs/dbraw/zinc/86/38/68/803863868.db2.gz STSGHWIHXLCZKV-NXEZZACHSA-N 1 1 295.251 3.111 20 10 CGCDMO C[C@@]1(F)CCCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001138123879 803864304 /nfs/dbraw/zinc/86/43/04/803864304.db2.gz POPMJFDXRNMLDV-CQSZACIVSA-N 1 1 255.308 3.245 20 10 CGCDMO C[C@@]1(F)CCCC[N@H+](Cc2cccc(F)c2O)C1 ZINC001138123879 803864314 /nfs/dbraw/zinc/86/43/14/803864314.db2.gz POPMJFDXRNMLDV-CQSZACIVSA-N 1 1 255.308 3.245 20 10 CGCDMO C[C@@]1(F)CCCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC001138123879 803864323 /nfs/dbraw/zinc/86/43/23/803864323.db2.gz POPMJFDXRNMLDV-CQSZACIVSA-N 1 1 255.308 3.245 20 10 CGCDMO Cc1c(C[N@H+]2CCC[C@@H](O)[C@@H](C)C2)c2ccccc2n1C ZINC001138252299 803880822 /nfs/dbraw/zinc/88/08/22/803880822.db2.gz AWECDGUSRMTCES-SCLBCKFNSA-N 1 1 286.419 3.080 20 10 CGCDMO Cc1c(C[N@H+]2CC[C@]3(CCOC3)C2)c2ccccc2n1C ZINC001138252520 803880859 /nfs/dbraw/zinc/88/08/59/803880859.db2.gz JOUWPSSNVLQUGT-SFHVURJKSA-N 1 1 284.403 3.099 20 10 CGCDMO Cc1c(C[N@@H+]2CC[C@@H](C)[C@](C)(O)C2)c2ccccc2n1C ZINC001138252645 803881311 /nfs/dbraw/zinc/88/13/11/803881311.db2.gz OHKHUYAOKVBJOH-FZKQIMNGSA-N 1 1 286.419 3.080 20 10 CGCDMO Cc1c(C[N@H+]2CCCC[C@](C)(O)C2)c2ccccc2n1C ZINC001138252702 803881586 /nfs/dbraw/zinc/88/15/86/803881586.db2.gz QYKDIEOIZGKXSP-SFHVURJKSA-N 1 1 286.419 3.224 20 10 CGCDMO Cc1c(C[NH+]2CCN(C(C)(C)C)CC2)c2ccccc2n1C ZINC001138256756 803883141 /nfs/dbraw/zinc/88/31/41/803883141.db2.gz JJVGFWGWNYHRCS-UHFFFAOYSA-N 1 1 299.462 3.403 20 10 CGCDMO Cc1c(C[N@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c2ccccc2n1C ZINC001138258039 803883867 /nfs/dbraw/zinc/88/38/67/803883867.db2.gz JAXSASMQOHVAOR-OKILXGFUSA-N 1 1 285.435 3.011 20 10 CGCDMO Cc1c(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c2ccccc2n1C ZINC001138258039 803883876 /nfs/dbraw/zinc/88/38/76/803883876.db2.gz JAXSASMQOHVAOR-OKILXGFUSA-N 1 1 285.435 3.011 20 10 CGCDMO Cc1c(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c2ccccc2n1C ZINC001138258039 803883882 /nfs/dbraw/zinc/88/38/82/803883882.db2.gz JAXSASMQOHVAOR-OKILXGFUSA-N 1 1 285.435 3.011 20 10 CGCDMO C[C@@H]1CCC[N@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138336317 803899099 /nfs/dbraw/zinc/89/90/99/803899099.db2.gz OTCDFMIBBABDEK-CYBMUJFWSA-N 1 1 286.419 3.075 20 10 CGCDMO Cc1ncccc1C[N@H+](C)Cc1ccc2c(c1)CCCN2C ZINC001138359213 803902398 /nfs/dbraw/zinc/90/23/98/803902398.db2.gz NWHFEXMOIMUPQE-UHFFFAOYSA-N 1 1 295.430 3.404 20 10 CGCDMO CC[C@@H]1C[C@@H](NCc2ccc3c(c2)CCO3)C[C@H](CC)[NH2+]1 ZINC001246201465 804204967 /nfs/dbraw/zinc/20/49/67/804204967.db2.gz VMCZVWRMNMWTBR-BJWYYQGGSA-N 1 1 288.435 3.020 20 10 CGCDMO C[N@H+](Cc1ccccc1O)Cc1ccnc(Cl)c1F ZINC001139665636 804244984 /nfs/dbraw/zinc/24/49/84/804244984.db2.gz ZLFNMBPWEMPQGV-UHFFFAOYSA-N 1 1 280.730 3.212 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1ccnc(Cl)c1F ZINC001139665636 804244988 /nfs/dbraw/zinc/24/49/88/804244988.db2.gz ZLFNMBPWEMPQGV-UHFFFAOYSA-N 1 1 280.730 3.212 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)ccc1N(C)C ZINC001139669663 804246560 /nfs/dbraw/zinc/24/65/60/804246560.db2.gz GDDJTRGONZQMEV-WMZOPIPTSA-N 1 1 288.435 3.062 20 10 CGCDMO Cc1cc(C[N@@H+]2C[C@@H](C)CC23CC3)ccc1N(C)C ZINC001139674144 804247157 /nfs/dbraw/zinc/24/71/57/804247157.db2.gz RBHMDFPVLHLDFD-ZDUSSCGKSA-N 1 1 258.409 3.435 20 10 CGCDMO COc1ccc(CN[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc1C ZINC001246343940 804296881 /nfs/dbraw/zinc/29/68/81/804296881.db2.gz CUYKRXFMWAPGPJ-WBVHZDCISA-N 1 1 290.451 3.260 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1O ZINC001140183326 804395720 /nfs/dbraw/zinc/39/57/20/804395720.db2.gz CABKXWZCUFRXAA-MRXNPFEDSA-N 1 1 298.386 3.057 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+](C)C[C@@H]2CCCCO2)c1O ZINC001140182045 804396228 /nfs/dbraw/zinc/39/62/28/804396228.db2.gz GRMXVAFZJZZRRI-AWEZNQCLSA-N 1 1 263.381 3.010 20 10 CGCDMO C[C@]1(CF)CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC001140337729 804418721 /nfs/dbraw/zinc/41/87/21/804418721.db2.gz BFCMKZHTZHVQQR-CYBMUJFWSA-N 1 1 257.736 3.227 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001140467577 804443209 /nfs/dbraw/zinc/44/32/09/804443209.db2.gz YGRGNZXKCUDANZ-ZDUSSCGKSA-N 1 1 288.778 3.430 20 10 CGCDMO Cc1nc2c(s1)C[N@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001140466430 804444283 /nfs/dbraw/zinc/44/42/83/804444283.db2.gz FMPDGUWVZAZMBI-UHFFFAOYSA-N 1 1 294.807 3.369 20 10 CGCDMO Cc1nc2c(s1)C[N@@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001140466430 804444287 /nfs/dbraw/zinc/44/42/87/804444287.db2.gz FMPDGUWVZAZMBI-UHFFFAOYSA-N 1 1 294.807 3.369 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCOC[C@@H]2C2CCCCC2)c1 ZINC001140624213 804478141 /nfs/dbraw/zinc/47/81/41/804478141.db2.gz LDVHOLNFQDIGLA-QGZVFWFLSA-N 1 1 289.419 3.482 20 10 CGCDMO COc1cc(F)c(C[N@H+](C)Cc2ccccc2O)c(F)c1 ZINC001140828853 804530468 /nfs/dbraw/zinc/53/04/68/804530468.db2.gz YUASRDYWYJIKSU-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO COc1cc(F)c(C[N@@H+](C)Cc2ccccc2O)c(F)c1 ZINC001140828853 804530474 /nfs/dbraw/zinc/53/04/74/804530474.db2.gz YUASRDYWYJIKSU-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2Cc3cccnc3C2)c(O)c1 ZINC001140851878 804533520 /nfs/dbraw/zinc/53/35/20/804533520.db2.gz SJVMKEPMVGSFGW-UHFFFAOYSA-N 1 1 297.402 3.149 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2Cc3cccnc3C2)c(O)c1 ZINC001140851878 804533523 /nfs/dbraw/zinc/53/35/23/804533523.db2.gz SJVMKEPMVGSFGW-UHFFFAOYSA-N 1 1 297.402 3.149 20 10 CGCDMO CC(C)O[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140924633 804551060 /nfs/dbraw/zinc/55/10/60/804551060.db2.gz JUUIDBVBOHCUII-HNNXBMFYSA-N 1 1 296.842 3.405 20 10 CGCDMO Cc1ccc(C[N@H+]2CCOC3(CCCCC3)C2)c(O)c1 ZINC001140958356 804557253 /nfs/dbraw/zinc/55/72/53/804557253.db2.gz YXWFRSPJVZLLQY-UHFFFAOYSA-N 1 1 275.392 3.236 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC[C@H]2c2ccccc2)c(OC)c1 ZINC001141029021 804575738 /nfs/dbraw/zinc/57/57/38/804575738.db2.gz HTTCHRPTRABKLW-INIZCTEOSA-N 1 1 299.370 3.356 20 10 CGCDMO F[C@H]1CCC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141075886 804585673 /nfs/dbraw/zinc/58/56/73/804585673.db2.gz FIUPNHBPCVGFKO-KRWDZBQOSA-N 1 1 288.410 3.319 20 10 CGCDMO CN1CCOc2cc(C[N@@H+](Cc3ccco3)C3CC3)ccc21 ZINC001141145703 804598801 /nfs/dbraw/zinc/59/88/01/804598801.db2.gz YONALRZZPSNVJZ-UHFFFAOYSA-N 1 1 298.386 3.273 20 10 CGCDMO CC[N@@H+](Cc1cccc(F)c1)Cc1cc(O)ccc1O ZINC001141160771 804601471 /nfs/dbraw/zinc/60/14/71/804601471.db2.gz HVDZVUKQMQSBNU-UHFFFAOYSA-N 1 1 275.323 3.259 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2O)[C@@H]1CO ZINC001143103533 804802049 /nfs/dbraw/zinc/80/20/49/804802049.db2.gz FISLURWXWAONBZ-XJKSGUPXSA-N 1 1 291.435 3.283 20 10 CGCDMO CSCC[N@@H+](C)Cc1cccc(C(C)(C)C)c1O ZINC001143116435 804802987 /nfs/dbraw/zinc/80/29/87/804802987.db2.gz BAEQMLSXGHIFSE-UHFFFAOYSA-N 1 1 267.438 3.485 20 10 CGCDMO CC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143111562 804803389 /nfs/dbraw/zinc/80/33/89/804803389.db2.gz CTSDIUPIGBQNTM-AWEZNQCLSA-N 1 1 289.419 3.491 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)[C@H](C)CO1 ZINC001143112677 804803485 /nfs/dbraw/zinc/80/34/85/804803485.db2.gz YDNIWDYHKVFWMW-CHWSQXEVSA-N 1 1 277.408 3.299 20 10 CGCDMO CC[N@@H+](CCC(=O)OC)Cc1cccc(C(C)(C)C)c1O ZINC001143116623 804806247 /nfs/dbraw/zinc/80/62/47/804806247.db2.gz GEKDFFXWBKFEGQ-UHFFFAOYSA-N 1 1 293.407 3.075 20 10 CGCDMO Oc1cc(O)c(C[N@@H+]2CC=C(c3ccccc3)CC2)c(O)c1 ZINC001144514652 804997994 /nfs/dbraw/zinc/99/79/94/804997994.db2.gz NLJPTSJUONPHDB-UHFFFAOYSA-N 1 1 297.354 3.093 20 10 CGCDMO CN(c1ccc(N)cc1)c1cc[nH+]cc1C(F)(F)F ZINC001249594128 805184920 /nfs/dbraw/zinc/18/49/20/805184920.db2.gz NVIKWHJCBXVZDB-UHFFFAOYSA-N 1 1 267.254 3.451 20 10 CGCDMO Cc1cc(F)cc(Nc2cc[nH+]cc2C(F)(F)F)c1O ZINC001249593596 805185152 /nfs/dbraw/zinc/18/51/52/805185152.db2.gz QQEMASPQHKHUOW-UHFFFAOYSA-N 1 1 286.228 3.419 20 10 CGCDMO CC[C@H](C)[N@H+]1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001257442155 807157839 /nfs/dbraw/zinc/15/78/39/807157839.db2.gz CYZQERBFARIGFA-LBPRGKRZSA-N 1 1 272.392 3.344 20 10 CGCDMO CNc1ccccc1NCCC[N@H+]1CCCC[C@@H]1C ZINC001167754628 807243616 /nfs/dbraw/zinc/24/36/16/807243616.db2.gz UACHXNDVEUQOKT-AWEZNQCLSA-N 1 1 261.413 3.405 20 10 CGCDMO COc1cccc(F)c1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC001262367084 807857484 /nfs/dbraw/zinc/85/74/84/807857484.db2.gz HPPCNYLFUBCNAK-UHFFFAOYSA-N 1 1 288.366 3.190 20 10 CGCDMO CO[C@H]1CCC[C@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001172951787 808494533 /nfs/dbraw/zinc/49/45/33/808494533.db2.gz TYJLSVYLZFHONN-IRXDYDNUSA-N 1 1 276.424 3.142 20 10 CGCDMO Oc1c(F)cc(F)cc1Nc1cc[nH+]c2ccccc12 ZINC001174039640 808839188 /nfs/dbraw/zinc/83/91/88/808839188.db2.gz WOWHUGVFPAQHRQ-UHFFFAOYSA-N 1 1 272.254 3.384 20 10 CGCDMO CC(C)C[C@H]1C[C@H]([NH2+]Cc2cc(F)c(F)cc2O)CCO1 ZINC001180325810 809993572 /nfs/dbraw/zinc/99/35/72/809993572.db2.gz BEHNHUBMCAEOQY-OLZOCXBDSA-N 1 1 299.361 3.354 20 10 CGCDMO CC[C@H](CC(F)(F)F)[NH2+]Cc1cc(F)c(F)cc1O ZINC001180603872 810013251 /nfs/dbraw/zinc/01/32/51/810013251.db2.gz YEZJEAYJVPSSPD-MRVPVSSYSA-N 1 1 283.240 3.491 20 10 CGCDMO Cn1c(-c2ccccc2)cnc1SC[C@H]1CCC[N@H+]1C ZINC001188400413 810480526 /nfs/dbraw/zinc/48/05/26/810480526.db2.gz JNSIROLEMQZRET-CQSZACIVSA-N 1 1 287.432 3.273 20 10 CGCDMO COc1ccccc1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001203437511 812356455 /nfs/dbraw/zinc/35/64/55/812356455.db2.gz DLYQMLVKKVXCGX-UHFFFAOYSA-N 1 1 299.370 3.055 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@@H](C)C(F)(F)CC2)c1O ZINC001203585630 812400699 /nfs/dbraw/zinc/40/06/99/812400699.db2.gz RDGVKUQYPDUOJK-LLVKDONJSA-N 1 1 285.334 3.268 20 10 CGCDMO COc1ccc(C[N@H+]2CCCC[C@@](C)(F)C2)c(O)c1 ZINC001203620834 812409140 /nfs/dbraw/zinc/40/91/40/812409140.db2.gz JLMKWGRDFNJCRZ-OAHLLOKOSA-N 1 1 267.344 3.115 20 10 CGCDMO COc1ccc(C[N@@H+]2CCC[C@H]2c2nccs2)c(O)c1 ZINC001203629020 812410852 /nfs/dbraw/zinc/41/08/52/812410852.db2.gz OERUXJZAVLHXMR-ZDUSSCGKSA-N 1 1 290.388 3.194 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@H]2c2nccs2)c(O)c1 ZINC001203629020 812410861 /nfs/dbraw/zinc/41/08/61/812410861.db2.gz OERUXJZAVLHXMR-ZDUSSCGKSA-N 1 1 290.388 3.194 20 10 CGCDMO COc1ccc(C[N@@H+](C)CC/C=C/c2cccnc2)c(O)c1 ZINC001203634665 812412901 /nfs/dbraw/zinc/41/29/01/812412901.db2.gz QIJARWWOEAYIRO-ZZXKWVIFSA-N 1 1 298.386 3.331 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC001203671149 812425588 /nfs/dbraw/zinc/42/55/88/812425588.db2.gz KTHNORJNZMUNGG-QWHCGFSZSA-N 1 1 261.365 3.023 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC001203671147 812425872 /nfs/dbraw/zinc/42/58/72/812425872.db2.gz KTHNORJNZMUNGG-CHWSQXEVSA-N 1 1 261.365 3.023 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H]2Cc2ccccn2)c1 ZINC001203677913 812427203 /nfs/dbraw/zinc/42/72/03/812427203.db2.gz AFXIVGCPADRDAX-INIZCTEOSA-N 1 1 298.386 3.003 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1cccnc1 ZINC001204075163 812541540 /nfs/dbraw/zinc/54/15/40/812541540.db2.gz IDTNZICRYGBZQE-UHFFFAOYSA-N 1 1 281.403 3.314 20 10 CGCDMO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204241816 812583595 /nfs/dbraw/zinc/58/35/95/812583595.db2.gz JAFRXSHWJXSZHN-ZBFHGGJFSA-N 1 1 298.430 3.251 20 10 CGCDMO Oc1ccc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c(O)c1 ZINC001204275679 812593949 /nfs/dbraw/zinc/59/39/49/812593949.db2.gz YETXGLMNAGMTQF-OAHLLOKOSA-N 1 1 283.371 3.162 20 10 CGCDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(O)cc2O)c1 ZINC001204278873 812594035 /nfs/dbraw/zinc/59/40/35/812594035.db2.gz LHAMWPRHCDZHFJ-KRWDZBQOSA-N 1 1 299.370 3.444 20 10 CGCDMO C[N@@H+](CCc1ccc(Cl)cc1)Cc1ccc(O)cc1O ZINC001204279075 812594327 /nfs/dbraw/zinc/59/43/27/812594327.db2.gz PNOJGSMJQDRBSD-UHFFFAOYSA-N 1 1 291.778 3.426 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2ccc(O)cc2O)cc1 ZINC001204275783 812594833 /nfs/dbraw/zinc/59/48/33/812594833.db2.gz ZGDACCFVCONUII-UHFFFAOYSA-N 1 1 257.333 3.038 20 10 CGCDMO C[C@H]1C[N@H+](Cc2ccc(O)cc2O)[C@@H](c2ccccc2)CO1 ZINC001204277400 812595145 /nfs/dbraw/zinc/59/51/45/812595145.db2.gz CSSDFTBXOKUSNQ-SUMWQHHRSA-N 1 1 299.370 3.060 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(O)cc2O)[C@@H](c2ccccc2)CO1 ZINC001204277400 812595149 /nfs/dbraw/zinc/59/51/49/812595149.db2.gz CSSDFTBXOKUSNQ-SUMWQHHRSA-N 1 1 299.370 3.060 20 10 CGCDMO c1cc2c(cn1)C[N@@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204322609 812612537 /nfs/dbraw/zinc/61/25/37/812612537.db2.gz UAKAYSCEOHXDLZ-UHFFFAOYSA-N 1 1 293.414 3.240 20 10 CGCDMO COc1cc(C[N@@H+](C)Cc2cccc(C)c2)cc(O)c1O ZINC001204342423 812615790 /nfs/dbraw/zinc/61/57/90/812615790.db2.gz LXILRSLEFKXBSI-UHFFFAOYSA-N 1 1 287.359 3.047 20 10 CGCDMO CCN1CC[N@@H+](Cc2cc(C(C)C)ccc2O)C[C@@H]1C ZINC001204866099 812758582 /nfs/dbraw/zinc/75/85/82/812758582.db2.gz JRGDTCXDRGATGL-AWEZNQCLSA-N 1 1 276.424 3.042 20 10 CGCDMO CC[N@@H+]1CCN(Cc2cc(C(C)C)ccc2O)C[C@@H]1C ZINC001204866099 812758585 /nfs/dbraw/zinc/75/85/85/812758585.db2.gz JRGDTCXDRGATGL-AWEZNQCLSA-N 1 1 276.424 3.042 20 10 CGCDMO CC[N@H+]1CCN(Cc2cc(C(C)C)ccc2O)C[C@@H]1C ZINC001204866099 812758590 /nfs/dbraw/zinc/75/85/90/812758590.db2.gz JRGDTCXDRGATGL-AWEZNQCLSA-N 1 1 276.424 3.042 20 10 CGCDMO CCC[C@@H](C)[N@@H+](C)Cc1c(C)cc(OC)cc1O ZINC001204888167 812764807 /nfs/dbraw/zinc/76/48/07/812764807.db2.gz DZCALNUTFFCMIJ-GFCCVEGCSA-N 1 1 251.370 3.330 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1cccc3[nH]ccc31)CC2 ZINC001205297647 812937025 /nfs/dbraw/zinc/93/70/25/812937025.db2.gz DRCKTWVAEPMJGX-UHFFFAOYSA-N 1 1 278.355 3.432 20 10 CGCDMO Oc1ccc(F)cc1C[NH2+][C@H]1COc2cc(F)cc(F)c21 ZINC001205394594 812978460 /nfs/dbraw/zinc/97/84/60/812978460.db2.gz UCWRKIBSGPXIFM-LBPRGKRZSA-N 1 1 295.260 3.033 20 10 CGCDMO C[C@H]1CC[C@H](CN)[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001205843085 813105530 /nfs/dbraw/zinc/10/55/30/813105530.db2.gz RDBRUNJARHXALO-SUMWQHHRSA-N 1 1 284.403 3.105 20 10 CGCDMO CC(C)c1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c([O-])c1 ZINC001206026503 813170131 /nfs/dbraw/zinc/17/01/31/813170131.db2.gz SNWRGLXTHINKHE-GDBMZVCRSA-N 1 1 290.451 3.322 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c([O-])c1 ZINC001206026503 813170135 /nfs/dbraw/zinc/17/01/35/813170135.db2.gz SNWRGLXTHINKHE-GDBMZVCRSA-N 1 1 290.451 3.322 20 10 CGCDMO CCC(=O)C(C)(C)C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001208920381 813899439 /nfs/dbraw/zinc/89/94/39/813899439.db2.gz CVJJJBCZVNVXCP-UHFFFAOYSA-N 1 1 276.424 3.190 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)CCCc2cccnc2)cc1 ZINC001209186630 813959494 /nfs/dbraw/zinc/95/94/94/813959494.db2.gz ZVVGBJYTJMJVOK-UHFFFAOYSA-N 1 1 283.419 3.212 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)cc1 ZINC001209516858 814071491 /nfs/dbraw/zinc/07/14/91/814071491.db2.gz QVNPKHCBHIKUHK-KUHUBIRLSA-N 1 1 298.430 3.439 20 10 CGCDMO C[C@@H]1CCN(Cc2cccc(-c3ccccc3)c2O)CC[NH2+]1 ZINC001210498268 814491496 /nfs/dbraw/zinc/49/14/96/814491496.db2.gz QBLHPDPJVVWULO-OAHLLOKOSA-N 1 1 296.414 3.243 20 10 CGCDMO CSc1cncc(-c2[nH+]ccc3c2ccn3C)c1 ZINC001242946398 823183736 /nfs/dbraw/zinc/18/37/36/823183736.db2.gz LMVHYCNHMPHTMN-UHFFFAOYSA-N 1 1 255.346 3.357 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCc2cccnc2C1 ZINC001231590867 818131551 /nfs/dbraw/zinc/13/15/51/818131551.db2.gz OMJUFNAEXOGQQC-UHFFFAOYSA-N 1 1 290.366 3.499 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@](CF)(C(F)(F)F)C2)c1O ZINC001231591028 818131774 /nfs/dbraw/zinc/13/17/74/818131774.db2.gz QIZOYZHIMCHTQM-CYBMUJFWSA-N 1 1 291.288 3.425 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)c1O ZINC001231591927 818132372 /nfs/dbraw/zinc/13/23/72/818132372.db2.gz COAOTFQHHPWBLX-QGZVFWFLSA-N 1 1 282.387 3.303 20 10 CGCDMO CC(C)Oc1ncccc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001231762835 818169785 /nfs/dbraw/zinc/16/97/85/818169785.db2.gz SZZIZZDTKCCSMY-UHFFFAOYSA-N 1 1 298.386 3.133 20 10 CGCDMO CC(C)Oc1ncccc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001231762835 818169791 /nfs/dbraw/zinc/16/97/91/818169791.db2.gz SZZIZZDTKCCSMY-UHFFFAOYSA-N 1 1 298.386 3.133 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2c(C)cc(C)cc2O)[C@H](C)C1 ZINC001231850943 818188657 /nfs/dbraw/zinc/18/86/57/818188657.db2.gz XGNLTLWVPUXCOT-ZIAGYGMSSA-N 1 1 263.381 3.008 20 10 CGCDMO CC[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1OC ZINC001231853449 818188676 /nfs/dbraw/zinc/18/86/76/818188676.db2.gz KIJHDIREMMXCCY-AWEZNQCLSA-N 1 1 262.397 3.136 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)cc1Cl ZINC001231867494 818191329 /nfs/dbraw/zinc/19/13/29/818191329.db2.gz LJHTXYUFFNJTSX-TXEJJXNPSA-N 1 1 279.767 3.050 20 10 CGCDMO Oc1c(C[N@H+]2CC[C@]3(CCCO3)C2)ccc2ccccc21 ZINC001231879600 818199448 /nfs/dbraw/zinc/19/94/48/818199448.db2.gz JSSFFPPLKDXLTB-GOSISDBHSA-N 1 1 283.371 3.300 20 10 CGCDMO C[NH+]1CCC2(C[NH+](Cc3ccc4ccccc4c3[O-])C2)CC1 ZINC001231882367 818201517 /nfs/dbraw/zinc/20/15/17/818201517.db2.gz HVTZASVLBCPNPW-UHFFFAOYSA-N 1 1 296.414 3.073 20 10 CGCDMO CC[N@@H+](Cc1cc(C)nc(C)c1)Cc1ccccc1O ZINC001232002666 818230746 /nfs/dbraw/zinc/23/07/46/818230746.db2.gz GVPKSDXAFYKJBJ-UHFFFAOYSA-N 1 1 270.376 3.426 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CCCC(F)(F)CC2)cc1Cl ZINC001232258515 818296453 /nfs/dbraw/zinc/29/64/53/818296453.db2.gz AHQZEQPDHZYUHH-UHFFFAOYSA-N 1 1 291.725 3.372 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c(O)c1 ZINC001232840029 818453454 /nfs/dbraw/zinc/45/34/54/818453454.db2.gz KKPWAFQAOOARKD-CJNGLKHVSA-N 1 1 274.408 3.223 20 10 CGCDMO Cc1ccc([C@@H]2CCC[N@H+]2Cc2cc(O)c(O)c(O)c2)cc1 ZINC001233013649 818503385 /nfs/dbraw/zinc/50/33/85/818503385.db2.gz RMJXSOBRYJNKPB-HNNXBMFYSA-N 1 1 299.370 3.449 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)CC[C@@H]1O ZINC001233284154 818566583 /nfs/dbraw/zinc/56/65/83/818566583.db2.gz KIQWARPFKHRMQE-CJNGLKHVSA-N 1 1 291.435 3.283 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)c1 ZINC001233287119 818568077 /nfs/dbraw/zinc/56/80/77/818568077.db2.gz XKRWCLUIXVQRBY-CXAGYDPISA-N 1 1 289.419 3.301 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@H]2C(C)(C)O)c1 ZINC001233286879 818568660 /nfs/dbraw/zinc/56/86/60/818568660.db2.gz MRFCBVLVQHSVGO-INIZCTEOSA-N 1 1 291.435 3.425 20 10 CGCDMO Oc1ccc(F)c(F)c1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC001233332187 818585513 /nfs/dbraw/zinc/58/55/13/818585513.db2.gz BLTRSIMGSQEGTC-GHMZBOCLSA-N 1 1 267.319 3.292 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CCCO1 ZINC001233452144 818622945 /nfs/dbraw/zinc/62/29/45/818622945.db2.gz MDIHIPDXHKDPGN-JTQLQIEISA-N 1 1 289.297 3.022 20 10 CGCDMO CC(C)[N@@H+](CCCO)Cc1ccc(C(F)(F)F)cc1O ZINC001233454452 818623875 /nfs/dbraw/zinc/62/38/75/818623875.db2.gz VNGVTOXFCUWIKA-UHFFFAOYSA-N 1 1 291.313 3.004 20 10 CGCDMO CC[N@@H+](Cc1cccc(OC(F)(F)F)c1O)C1CC1 ZINC001233728209 818692286 /nfs/dbraw/zinc/69/22/86/818692286.db2.gz UHSTXKCVUVHGGL-UHFFFAOYSA-N 1 1 275.270 3.275 20 10 CGCDMO Oc1c(C[N@@H+]2CCCC[C@@H](O)C2)cccc1-c1ccccc1 ZINC001235001266 818974164 /nfs/dbraw/zinc/97/41/64/818974164.db2.gz LODRQAPYRNJOCB-QGZVFWFLSA-N 1 1 297.398 3.406 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](CO)CC2)c(O)c1 ZINC001235674087 819134739 /nfs/dbraw/zinc/13/47/39/819134739.db2.gz DOBDIGPURHEDMF-CQSZACIVSA-N 1 1 291.435 3.284 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235674630 819135247 /nfs/dbraw/zinc/13/52/47/819135247.db2.gz HETZSFIYNYWALB-HNNXBMFYSA-N 1 1 277.408 3.301 20 10 CGCDMO CCOC(=O)CC[N@@H+](C)Cc1ccc(C(C)(C)C)cc1O ZINC001235681471 819139700 /nfs/dbraw/zinc/13/97/00/819139700.db2.gz AFFYLJANAQDRIO-UHFFFAOYSA-N 1 1 293.407 3.075 20 10 CGCDMO C[N@@H+](Cc1ccno1)Cc1ccc(C(C)(C)C)cc1O ZINC001235681579 819140067 /nfs/dbraw/zinc/14/00/67/819140067.db2.gz NTAJFDLJUZAOGR-UHFFFAOYSA-N 1 1 274.364 3.310 20 10 CGCDMO Cc1cc(CN2CCC(C)([NH3+])CC2)c(C)n1-c1ccccc1 ZINC001235747859 819160433 /nfs/dbraw/zinc/16/04/33/819160433.db2.gz FVGDUHPDKIYOGT-UHFFFAOYSA-N 1 1 297.446 3.407 20 10 CGCDMO CC(C)(C)c1cc(O)c(CN2CC[C@@H](C[NH3+])C2)cc1Cl ZINC001235748635 819160835 /nfs/dbraw/zinc/16/08/35/819160835.db2.gz CTLNZXJMYFGJDF-NSHDSACASA-N 1 1 296.842 3.124 20 10 CGCDMO CC(C)C[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCN1 ZINC001235881144 819195130 /nfs/dbraw/zinc/19/51/30/819195130.db2.gz AZKPHPDRIVCEIM-INIZCTEOSA-N 1 1 298.430 3.365 20 10 CGCDMO CC(C)C[C@H]1CN(Cc2c(O)ccc3ccccc32)CC[NH2+]1 ZINC001235881144 819195131 /nfs/dbraw/zinc/19/51/31/819195131.db2.gz AZKPHPDRIVCEIM-INIZCTEOSA-N 1 1 298.430 3.365 20 10 CGCDMO Oc1cccc2c1CN(CCC[NH2+]C1CCCCC1)CC2 ZINC001236073893 819302370 /nfs/dbraw/zinc/30/23/70/819302370.db2.gz XMWXBLPEXHOJML-UHFFFAOYSA-N 1 1 288.435 3.063 20 10 CGCDMO C[C@@H]1CNC[C@@H](C)[NH+]1Cc1cccc(-c2ccccc2)c1O ZINC001236104292 819321777 /nfs/dbraw/zinc/32/17/77/819321777.db2.gz YRLSVLAVTSQHNF-HUUCEWRRSA-N 1 1 296.414 3.241 20 10 CGCDMO CN(Cc1cc2ccccc2cc1O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217894 819383338 /nfs/dbraw/zinc/38/33/38/819383338.db2.gz QRKFVYDDCFTAMZ-IRXDYDNUSA-N 1 1 284.403 3.247 20 10 CGCDMO Nc1ccc(CN(Cc2ccccc2)C2CC[NH2+]CC2)cc1 ZINC001236300666 819416209 /nfs/dbraw/zinc/41/62/09/819416209.db2.gz JAXSTZFEAUVPNB-UHFFFAOYSA-N 1 1 295.430 3.023 20 10 CGCDMO CCc1ccc(C[N@H+]2CCc3c(N)cccc3C2)c(O)c1 ZINC001236365810 819435600 /nfs/dbraw/zinc/43/56/00/819435600.db2.gz XJBIIUAPTDSQQN-UHFFFAOYSA-N 1 1 282.387 3.095 20 10 CGCDMO CCc1ccc(C[N@H+]2CCC[C@@H](F)CC2)c(O)c1 ZINC001236784301 819595656 /nfs/dbraw/zinc/59/56/56/819595656.db2.gz UJVQGUAQWGTWOR-CQSZACIVSA-N 1 1 251.345 3.279 20 10 CGCDMO Oc1cc(Cl)c(Cl)cc1C[N@H+]1CCC[C@H](O)CC1 ZINC001236793115 819598286 /nfs/dbraw/zinc/59/82/86/819598286.db2.gz HVSTZOAVJUNWRQ-JTQLQIEISA-N 1 1 290.190 3.046 20 10 CGCDMO Oc1cc(Cl)c(Cl)cc1C[N@@H+]1CCC[C@H](O)CC1 ZINC001236793115 819598289 /nfs/dbraw/zinc/59/82/89/819598289.db2.gz HVSTZOAVJUNWRQ-JTQLQIEISA-N 1 1 290.190 3.046 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](F)CC2)c(Cl)c1 ZINC001236797875 819599013 /nfs/dbraw/zinc/59/90/13/819599013.db2.gz JQNUQHUDNAUNOD-JTQLQIEISA-N 1 1 287.762 3.378 20 10 CGCDMO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(Cl)c1O ZINC001236801082 819599050 /nfs/dbraw/zinc/59/90/50/819599050.db2.gz FRMBZAVKLMJGTI-LBPRGKRZSA-N 1 1 299.798 3.055 20 10 CGCDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc(OC)c(Cl)c1O ZINC001236801082 819599055 /nfs/dbraw/zinc/59/90/55/819599055.db2.gz FRMBZAVKLMJGTI-LBPRGKRZSA-N 1 1 299.798 3.055 20 10 CGCDMO COc1ccc(C[N@@H+]2CC[C@H](OC(C)C)C2)c(O)c1Cl ZINC001236807093 819601135 /nfs/dbraw/zinc/60/11/35/819601135.db2.gz MKHIQBZCGXMELL-LBPRGKRZSA-N 1 1 299.798 3.054 20 10 CGCDMO COc1ccc(C[N@H+]2CC[C@H](OC(C)C)C2)c(O)c1Cl ZINC001236807093 819601141 /nfs/dbraw/zinc/60/11/41/819601141.db2.gz MKHIQBZCGXMELL-LBPRGKRZSA-N 1 1 299.798 3.054 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CC[C@@H](c3cccnc3)C2)c(O)c1 ZINC001236814864 819606347 /nfs/dbraw/zinc/60/63/47/819606347.db2.gz XCJSKBXJHHZHGR-OAHLLOKOSA-N 1 1 298.386 3.094 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2O)CCC[C@H]1O ZINC001236826741 819610405 /nfs/dbraw/zinc/61/04/05/819610405.db2.gz MEDRKNNBZKOTDW-CXAGYDPISA-N 1 1 285.387 3.138 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC001236836600 819617304 /nfs/dbraw/zinc/61/73/04/819617304.db2.gz LHPAIOYQRDHYDN-QGZVFWFLSA-N 1 1 283.371 3.156 20 10 CGCDMO CCC[N@@H+](Cc1cc2ccccc2cc1[O-])C[C@@H]1CC[NH2+]C1 ZINC001236844555 819620459 /nfs/dbraw/zinc/62/04/59/819620459.db2.gz WCTHQBVLQDOFFU-OAHLLOKOSA-N 1 1 298.430 3.367 20 10 CGCDMO CCC[N@H+](Cc1cc2ccccc2cc1[O-])C[C@@H]1CC[NH2+]C1 ZINC001236844555 819620461 /nfs/dbraw/zinc/62/04/61/819620461.db2.gz WCTHQBVLQDOFFU-OAHLLOKOSA-N 1 1 298.430 3.367 20 10 CGCDMO Oc1cccc(OC(F)(F)F)c1C[NH+]1CC2(CCC2)C1 ZINC001237116856 819671821 /nfs/dbraw/zinc/67/18/21/819671821.db2.gz MPYGQVMIQIUJBT-UHFFFAOYSA-N 1 1 287.281 3.277 20 10 CGCDMO Oc1ccc(F)c(Cl)c1C[N@H+]1CCCC12CC2 ZINC001237119074 819672018 /nfs/dbraw/zinc/67/20/18/819672018.db2.gz AICWHHZWGSPRGO-UHFFFAOYSA-N 1 1 255.720 3.313 20 10 CGCDMO CC[N@@H+](Cc1c(O)cccc1OC(F)(F)F)C1CC1 ZINC001237120148 819672086 /nfs/dbraw/zinc/67/20/86/819672086.db2.gz NENMUMQSFNFCLO-UHFFFAOYSA-N 1 1 275.270 3.275 20 10 CGCDMO COCC[N@@H+](Cc1cc(C(F)(F)F)ccc1O)C(C)C ZINC001237140161 819676917 /nfs/dbraw/zinc/67/69/17/819676917.db2.gz WWXBEUWTBDIXGA-UHFFFAOYSA-N 1 1 291.313 3.268 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](C(=O)c2ccccc2)C1 ZINC001237495292 819763929 /nfs/dbraw/zinc/76/39/29/819763929.db2.gz OVTBJEMXSYNQBB-INIZCTEOSA-N 1 1 295.382 3.405 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@@H](C)C[C@H]2C)c(O)c(OC)c1 ZINC001237677073 819803946 /nfs/dbraw/zinc/80/39/46/819803946.db2.gz WPAGCYAGWHOLFF-VXGBXAGGSA-N 1 1 279.380 3.030 20 10 CGCDMO Cc1cc(C[N@H+](C)Cc2cc(Cl)cc(C)c2O)n(C)n1 ZINC001237687589 819807398 /nfs/dbraw/zinc/80/73/98/819807398.db2.gz NQQZWGAEILVJEW-UHFFFAOYSA-N 1 1 293.798 3.028 20 10 CGCDMO Cc1cc(C[N@@H+](C)Cc2cc(Cl)cc(C)c2O)n(C)n1 ZINC001237687589 819807402 /nfs/dbraw/zinc/80/74/02/819807402.db2.gz NQQZWGAEILVJEW-UHFFFAOYSA-N 1 1 293.798 3.028 20 10 CGCDMO COc1ccc2c(c1)C[N@@H+](Cc1cc(F)cc(C)c1O)C2 ZINC001238062889 819920608 /nfs/dbraw/zinc/92/06/08/819920608.db2.gz UFUIYEZCYYXAFG-UHFFFAOYSA-N 1 1 287.334 3.364 20 10 CGCDMO COc1ccc2c(c1)C[N@H+](Cc1cc(F)cc(C)c1O)C2 ZINC001238062889 819920614 /nfs/dbraw/zinc/92/06/14/819920614.db2.gz UFUIYEZCYYXAFG-UHFFFAOYSA-N 1 1 287.334 3.364 20 10 CGCDMO CC[C@@H]([NH2+]CCCC[NH3+])c1ccc(C(F)(F)F)cc1[O-] ZINC001348854075 936936938 /nfs/dbraw/zinc/93/69/38/936936938.db2.gz XFQHSNMTOFOVSZ-GFCCVEGCSA-N 1 1 290.329 3.191 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)c1O ZINC001140178410 931957329 /nfs/dbraw/zinc/95/73/29/931957329.db2.gz KXTFECYRJBUELE-HOCLYGCPSA-N 1 1 287.403 3.343 20 10 CGCDMO CN(C)c1ccccc1CNc1ccc2c(c1)[nH+]cn2C ZINC001461293624 937574825 /nfs/dbraw/zinc/57/48/25/937574825.db2.gz LPZGNFYRHKFCPL-UHFFFAOYSA-N 1 1 280.375 3.251 20 10 CGCDMO COc1ccc(C[N@H+]2CC[C@@H](C)C(C)(C)C2)c(O)c1OC ZINC001462060559 937615225 /nfs/dbraw/zinc/61/52/25/937615225.db2.gz NTVFWUYRHIWQID-GFCCVEGCSA-N 1 1 293.407 3.277 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+][C@@H]1CCC[C@H](F)C1 ZINC001462362365 937635558 /nfs/dbraw/zinc/63/55/58/937635558.db2.gz BSRPUCJSLPRNMW-VHSXEESVSA-N 1 1 259.271 3.041 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C)[C@@H](CC)CO1 ZINC001462415263 937639444 /nfs/dbraw/zinc/63/94/44/937639444.db2.gz PGGOLHIFMGDZPF-WMZOPIPTSA-N 1 1 290.451 3.450 20 10 CGCDMO CC(C)(C[NH2+]Cc1cc(F)c(F)cc1O)C(C)(F)F ZINC001462510479 937646170 /nfs/dbraw/zinc/64/61/70/937646170.db2.gz HTFMQMPRJYNWHD-UHFFFAOYSA-N 1 1 279.277 3.441 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]Cc1ccc(C(F)F)nc1 ZINC001462595961 937652312 /nfs/dbraw/zinc/65/23/12/937652312.db2.gz WXBXXLPDNOLNAE-UHFFFAOYSA-N 1 1 282.265 3.154 20 10 CGCDMO CC[C@@H]1CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC001308585494 933138143 /nfs/dbraw/zinc/13/81/43/933138143.db2.gz ZXYKLFVLCWPLEY-IYKSTZQJSA-N 1 1 258.409 3.498 20 10 CGCDMO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2O)s1 ZINC001308672697 933154669 /nfs/dbraw/zinc/15/46/69/933154669.db2.gz NMKXYQQUCDDQPC-SSDOTTSWSA-N 1 1 283.784 3.056 20 10 CGCDMO CCC[N@@H+](CCN1CCCC1)Cc1ccc(Cl)cc1O ZINC001308755850 933171408 /nfs/dbraw/zinc/17/14/08/933171408.db2.gz IBBMQOLITKHUPA-UHFFFAOYSA-N 1 1 296.842 3.353 20 10 CGCDMO CCCN(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1O ZINC001308755850 933171410 /nfs/dbraw/zinc/17/14/10/933171410.db2.gz IBBMQOLITKHUPA-UHFFFAOYSA-N 1 1 296.842 3.353 20 10 CGCDMO CCCCCOC1C[NH+](Cc2cc(C)cc(OC)c2O)C1 ZINC001308806942 933180804 /nfs/dbraw/zinc/18/08/04/933180804.db2.gz FAIHQHTXJJYWTM-UHFFFAOYSA-N 1 1 293.407 3.100 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1C ZINC001319822350 933939222 /nfs/dbraw/zinc/93/92/22/933939222.db2.gz CWXCOQARUXREIT-GASCZTMLSA-N 1 1 258.409 3.375 20 10 CGCDMO COC(C)(C)C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001323331736 934385142 /nfs/dbraw/zinc/38/51/42/934385142.db2.gz SPNCCFHVMMIZNR-UHFFFAOYSA-N 1 1 276.424 3.144 20 10 CGCDMO CS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001323324500 934387432 /nfs/dbraw/zinc/38/74/32/934387432.db2.gz WGGMNZYHOGFINX-HOTGVXAUSA-N 1 1 278.465 3.469 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)c1ccc(F)cc1O ZINC001328400491 935135184 /nfs/dbraw/zinc/13/51/84/935135184.db2.gz RMADHZNADDBKST-HOSYDEDBSA-N 1 1 255.308 3.463 20 10 CGCDMO C[C@@H]1C[C@H](C)C[N@H+](CCSc2nccs2)C1 ZINC001333275157 935521960 /nfs/dbraw/zinc/52/19/60/935521960.db2.gz AHJVIWNYZHBIAA-PHIMTYICSA-N 1 1 256.440 3.213 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC001474368935 937854792 /nfs/dbraw/zinc/85/47/92/937854792.db2.gz CUIGGPPTAIIYCW-KBPBESRZSA-N 1 1 278.465 3.387 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c1 ZINC001474369777 937855095 /nfs/dbraw/zinc/85/50/95/937855095.db2.gz MFFDFHZYCLJAJL-XJKSGUPXSA-N 1 1 277.408 3.251 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)[C@@H](C)c2ccco2)c(O)c1 ZINC001474401448 937857676 /nfs/dbraw/zinc/85/76/76/937857676.db2.gz NWWPOPBKSZKZCN-LBPRGKRZSA-N 1 1 275.348 3.495 20 10 CGCDMO CC1(C)CC[C@H](CC[NH2+]Cc2cc(F)c(F)cc2O)OC1 ZINC001474728881 937877421 /nfs/dbraw/zinc/87/74/21/937877421.db2.gz SQJHFYKGXJYDPS-GFCCVEGCSA-N 1 1 299.361 3.355 20 10 CGCDMO CO[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001560065254 938243022 /nfs/dbraw/zinc/24/30/22/938243022.db2.gz INTMISGCWUKFBJ-HOCLYGCPSA-N 1 1 276.424 3.060 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC001560659172 938268750 /nfs/dbraw/zinc/26/87/50/938268750.db2.gz ZXURVOWCVXDSER-CQSZACIVSA-N 1 1 276.424 3.060 20 10 CGCDMO Oc1cc(Cl)ccc1C[NH2+][C@@]12C[C@@H]1CCCC2 ZINC001560967618 938287150 /nfs/dbraw/zinc/28/71/50/938287150.db2.gz MSGLGYFZKVRAEI-FZMZJTMJSA-N 1 1 251.757 3.468 20 10 CGCDMO C[C@H]1CCC[C@@H](C[NH2+]Cc2c(O)cccc2F)C1 ZINC001561015575 938289689 /nfs/dbraw/zinc/28/96/89/938289689.db2.gz AGYZKQPMJFCBNC-NWDGAFQWSA-N 1 1 251.345 3.447 20 10 CGCDMO CC(C)[N@@H+](CCC[NH2+]C1CC1)Cc1ccc(N(C)C)cc1 ZINC001575690634 962413352 /nfs/dbraw/zinc/41/33/52/962413352.db2.gz MWAQIEIHRZCCRW-UHFFFAOYSA-N 1 1 289.467 3.105 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]CC[C@@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC001579638455 962646726 /nfs/dbraw/zinc/64/67/26/962646726.db2.gz XYBSREONYYRJNU-CYBMUJFWSA-N 1 1 296.842 3.223 20 10 CGCDMO CCc1ncc(C[N@@H+](C)Cc2ccccc2O)s1 ZINC000091956477 345826548 /nfs/dbraw/zinc/82/65/48/345826548.db2.gz AMHMWFBSXFIVGB-UHFFFAOYSA-N 1 1 262.378 3.043 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](CCO)[C@H]2CCc3ccccc32)c1 ZINC000093388030 345876632 /nfs/dbraw/zinc/87/66/32/345876632.db2.gz GMHOQLPUJGTCLT-SFHVURJKSA-N 1 1 297.398 3.182 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)[C@H](CCO)c2ccccc2)cc1 ZINC000093442282 345879065 /nfs/dbraw/zinc/87/90/65/345879065.db2.gz YSNLNVGHSMLGPA-LJQANCHMSA-N 1 1 298.430 3.308 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000178857248 346252522 /nfs/dbraw/zinc/25/25/22/346252522.db2.gz WUZJVUCGJIKDLX-UHFFFAOYSA-N 1 1 271.360 3.423 20 10 CGCDMO C[N@@H+](Cc1c[nH]nc1-c1cccs1)Cc1ccccc1O ZINC000091956681 370083758 /nfs/dbraw/zinc/08/37/58/370083758.db2.gz JGGMRYNJVOWGHW-UHFFFAOYSA-N 1 1 299.399 3.476 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2cc(C)ccc2O)cc1O ZINC000092405188 370096918 /nfs/dbraw/zinc/09/69/18/370096918.db2.gz BXRGYRAVHXJQDT-UHFFFAOYSA-N 1 1 287.359 3.047 20 10 CGCDMO CCC[N@@H+](Cc1nccs1)Cc1ccccc1O ZINC000135111052 371391369 /nfs/dbraw/zinc/39/13/69/371391369.db2.gz UNZCQBOKWNWAQN-UHFFFAOYSA-N 1 1 262.378 3.261 20 10 CGCDMO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2O)o1 ZINC000137064012 371491186 /nfs/dbraw/zinc/49/11/86/371491186.db2.gz OEGKFKDSVCWYCK-HNNXBMFYSA-N 1 1 287.359 3.469 20 10 CGCDMO Cc1cc(O)c(C[NH2+]Cc2nccc(C(F)F)n2)cc1C ZINC000288367696 371735358 /nfs/dbraw/zinc/73/53/58/371735358.db2.gz DSZKZVKGJIALER-UHFFFAOYSA-N 1 1 293.317 3.026 20 10 CGCDMO CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1O ZINC000156105730 371962326 /nfs/dbraw/zinc/96/23/26/371962326.db2.gz TZANRRYNBHTKAG-BETUJISGSA-N 1 1 261.365 3.023 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cnccc1OC)c1ccc(F)cc1O ZINC000294515223 372658049 /nfs/dbraw/zinc/65/80/49/372658049.db2.gz YYKIRMZWNSDASC-CQSZACIVSA-N 1 1 290.338 3.176 20 10 CGCDMO CN(C)c1ccc(C[NH2+]Cc2cc(F)cnc2Cl)cc1 ZINC000295168182 372696821 /nfs/dbraw/zinc/69/68/21/372696821.db2.gz TXSZWQXZSGLODT-UHFFFAOYSA-N 1 1 293.773 3.230 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCSC1 ZINC000294811610 372672831 /nfs/dbraw/zinc/67/28/31/372672831.db2.gz WTYHNTZFIIHGSP-MRVPVSSYSA-N 1 1 275.776 3.027 20 10 CGCDMO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(C)cc1O ZINC000296373454 373109036 /nfs/dbraw/zinc/10/90/36/373109036.db2.gz JGWFKXOTQKKKPE-BTFYYFJDSA-N 1 1 288.435 3.367 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc(F)cc1O ZINC000296384275 373113929 /nfs/dbraw/zinc/11/39/29/373113929.db2.gz JTDOWPGSXYJEEW-GXTWGEPZSA-N 1 1 267.344 3.140 20 10 CGCDMO Cc1cccc(C[N@H+](C)[C@H](C)c2cccnc2)c1O ZINC000183726431 374446481 /nfs/dbraw/zinc/44/64/81/374446481.db2.gz SJCWVTYIFLIHCK-CYBMUJFWSA-N 1 1 256.349 3.289 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)c1cnccn1 ZINC000184590017 374542382 /nfs/dbraw/zinc/54/23/82/374542382.db2.gz FKEOJVGIVWGAQP-ZDUSSCGKSA-N 1 1 271.364 3.155 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2ccc(F)cc2F)c1O ZINC000271048437 378438056 /nfs/dbraw/zinc/43/80/56/378438056.db2.gz TXILMWBOGIPKDC-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO COC1CCC([N@@H+](C)Cc2c(O)cccc2Cl)CC1 ZINC000271200842 378482198 /nfs/dbraw/zinc/48/21/98/378482198.db2.gz TWVRXAMZFZFLTH-UHFFFAOYSA-N 1 1 283.799 3.435 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c1O ZINC000271792112 378504249 /nfs/dbraw/zinc/50/42/49/378504249.db2.gz JGVLSZGDHKXUFD-SMDDNHRTSA-N 1 1 283.799 3.089 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c1O ZINC000271792111 378505041 /nfs/dbraw/zinc/50/50/41/378505041.db2.gz JGVLSZGDHKXUFD-RISCZKNCSA-N 1 1 283.799 3.089 20 10 CGCDMO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1cccc(F)c1O ZINC000272240536 378592646 /nfs/dbraw/zinc/59/26/46/378592646.db2.gz GMRXMTNWFZFHDS-NSHDSACASA-N 1 1 275.323 3.430 20 10 CGCDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cccc(F)c1O ZINC000272240536 378592653 /nfs/dbraw/zinc/59/26/53/378592653.db2.gz GMRXMTNWFZFHDS-NSHDSACASA-N 1 1 275.323 3.430 20 10 CGCDMO CCCO[C@H]1CCC[N@H+](Cc2cccc(F)c2O)CC1 ZINC000272246352 378594012 /nfs/dbraw/zinc/59/40/12/378594012.db2.gz HMDPSHDUWCOOAV-AWEZNQCLSA-N 1 1 281.371 3.312 20 10 CGCDMO CCCO[C@H]1CCC[N@@H+](Cc2cccc(F)c2O)CC1 ZINC000272246352 378594019 /nfs/dbraw/zinc/59/40/19/378594019.db2.gz HMDPSHDUWCOOAV-AWEZNQCLSA-N 1 1 281.371 3.312 20 10 CGCDMO COc1cccc(C[N@H+](C)Cc2cccc(F)c2O)c1 ZINC000272254984 378597693 /nfs/dbraw/zinc/59/76/93/378597693.db2.gz IYCIRVQTRAQYGO-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2cccc(F)c2O)c1 ZINC000272254984 378597697 /nfs/dbraw/zinc/59/76/97/378597697.db2.gz IYCIRVQTRAQYGO-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000273382969 378743925 /nfs/dbraw/zinc/74/39/25/378743925.db2.gz ITVBVAHDJMTAPA-HUUCEWRRSA-N 1 1 276.424 3.001 20 10 CGCDMO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2O)CCO1 ZINC000273459235 378747581 /nfs/dbraw/zinc/74/75/81/378747581.db2.gz HSHYXEIULNGATC-RBOXIYTFSA-N 1 1 281.371 3.386 20 10 CGCDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000371957281 379183276 /nfs/dbraw/zinc/18/32/76/379183276.db2.gz QKLQVWMKRYQQGK-KRWDZBQOSA-N 1 1 299.418 3.388 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000373224275 379245772 /nfs/dbraw/zinc/24/57/72/379245772.db2.gz RJTGPDBGQIEQPD-ZDUSSCGKSA-N 1 1 295.810 3.294 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000375321327 379490724 /nfs/dbraw/zinc/49/07/24/379490724.db2.gz PRHHDXQJFMLFSD-JSGCOSHPSA-N 1 1 299.773 3.328 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000375321327 379490734 /nfs/dbraw/zinc/49/07/34/379490734.db2.gz PRHHDXQJFMLFSD-JSGCOSHPSA-N 1 1 299.773 3.328 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000375321324 379491733 /nfs/dbraw/zinc/49/17/33/379491733.db2.gz PRHHDXQJFMLFSD-GXTWGEPZSA-N 1 1 299.773 3.328 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000375321324 379491744 /nfs/dbraw/zinc/49/17/44/379491744.db2.gz PRHHDXQJFMLFSD-GXTWGEPZSA-N 1 1 299.773 3.328 20 10 CGCDMO CC1=C(Br)C[N@@H+](Cc2ccccc2O)CC1 ZINC000281249130 379826011 /nfs/dbraw/zinc/82/60/11/379826011.db2.gz XANPUPPCSXLQPY-UHFFFAOYSA-N 1 1 282.181 3.267 20 10 CGCDMO CCCC[N@@H+](CCC(=O)CC)Cc1ccccc1O ZINC000282514697 379936739 /nfs/dbraw/zinc/93/67/39/379936739.db2.gz SMPZWILRVJSOHY-UHFFFAOYSA-N 1 1 263.381 3.364 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](N3CCCC3)C[C@@H]2C)cc1C ZINC000285264596 380144242 /nfs/dbraw/zinc/14/42/42/380144242.db2.gz XYUPBUJHTMOGCD-RDJZCZTQSA-N 1 1 288.435 3.068 20 10 CGCDMO Cc1cc(O)c(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1C ZINC000285264596 380144247 /nfs/dbraw/zinc/14/42/47/380144247.db2.gz XYUPBUJHTMOGCD-RDJZCZTQSA-N 1 1 288.435 3.068 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000285331892 380148543 /nfs/dbraw/zinc/14/85/43/380148543.db2.gz XNKOQCLWPNQCFX-UKRRQHHQSA-N 1 1 281.783 3.189 20 10 CGCDMO CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(F)cc1[O-] ZINC000286370939 380203507 /nfs/dbraw/zinc/20/35/07/380203507.db2.gz ZOQBLQSDJBVVRU-HNNXBMFYSA-N 1 1 291.370 3.167 20 10 CGCDMO Cc1cnc(CC[N@H+](C)Cc2ccc(N(C)C)cc2)s1 ZINC000093773432 392239354 /nfs/dbraw/zinc/23/93/54/392239354.db2.gz CXDNUJUJMFMQAV-UHFFFAOYSA-N 1 1 289.448 3.192 20 10 CGCDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1O ZINC000109773530 392372484 /nfs/dbraw/zinc/37/24/84/392372484.db2.gz OVBXBDQCVSPLFG-LBPRGKRZSA-N 1 1 286.331 3.493 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1ccc(N(C)C)cc1 ZINC000374469356 392680059 /nfs/dbraw/zinc/68/00/59/392680059.db2.gz QBLAWPILYOAXHH-RDJZCZTQSA-N 1 1 298.434 3.074 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000179316373 392696459 /nfs/dbraw/zinc/69/64/59/392696459.db2.gz DGJVXYBWZTZPOS-UHFFFAOYSA-N 1 1 286.331 3.241 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)Cc2scnc2C)c1O ZINC000179427153 392699757 /nfs/dbraw/zinc/69/97/57/392699757.db2.gz VFOAMPNMHGPFES-UHFFFAOYSA-N 1 1 292.404 3.188 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccc(N(C)C)cc1 ZINC000271511775 393251772 /nfs/dbraw/zinc/25/17/72/393251772.db2.gz NWNDCUZTYIPFEA-LRDDRELGSA-N 1 1 284.407 3.204 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)c1ccccc1O ZINC000156771032 261131526 /nfs/dbraw/zinc/13/15/26/261131526.db2.gz RRIJQTZFEOSKKT-ABAIWWIYSA-N 1 1 273.380 3.096 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2cccc(OC)c2O)cc1 ZINC000159864349 261196640 /nfs/dbraw/zinc/19/66/40/261196640.db2.gz PHYQABQKOGWWFE-UHFFFAOYSA-N 1 1 287.359 3.041 20 10 CGCDMO CO[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1O)C(C)(C)C ZINC000185617588 262062525 /nfs/dbraw/zinc/06/25/25/262062525.db2.gz TXYNUMVQLMNYMW-YGRLFVJLSA-N 1 1 269.360 3.243 20 10 CGCDMO Oc1c(F)cccc1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000293613864 263145055 /nfs/dbraw/zinc/14/50/55/263145055.db2.gz KDTGIJDKPZCOSM-GJZGRUSLSA-N 1 1 271.335 3.425 20 10 CGCDMO CSC[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293739888 263148483 /nfs/dbraw/zinc/14/84/83/263148483.db2.gz XBXFXTBNWKUYEW-SSDOTTSWSA-N 1 1 263.765 3.026 20 10 CGCDMO COCC[C@H]1CCCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000368677121 267197466 /nfs/dbraw/zinc/19/74/66/267197466.db2.gz QCSQXGNFPWYQFM-OAHLLOKOSA-N 1 1 277.408 3.339 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000375620618 267879203 /nfs/dbraw/zinc/87/92/03/267879203.db2.gz XTVPHIRWOSIHBI-KRWDZBQOSA-N 1 1 284.407 3.203 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCC2)nc1)Cc1ccccc1O ZINC000091956729 327188003 /nfs/dbraw/zinc/18/80/03/327188003.db2.gz QVAZUHPQAOBLOW-UHFFFAOYSA-N 1 1 297.402 3.019 20 10 CGCDMO Oc1c(F)cccc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000377697297 329025438 /nfs/dbraw/zinc/02/54/38/329025438.db2.gz OJXDDBKPHIGFIY-UHFFFAOYSA-N 1 1 286.350 3.306 20 10 CGCDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccccc2O)C1 ZINC000185230338 329269132 /nfs/dbraw/zinc/26/91/32/329269132.db2.gz ASYWHVBXOWNPBB-BBRMVZONSA-N 1 1 268.360 3.370 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CC[C@@H]1CCCOC1 ZINC000527741265 330282686 /nfs/dbraw/zinc/28/26/86/330282686.db2.gz ZUKDLHNOGNYILK-JTQLQIEISA-N 1 1 287.762 3.091 20 10 CGCDMO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000527803621 330284216 /nfs/dbraw/zinc/28/42/16/330284216.db2.gz HSSKRDNJFWPVLJ-FJBRNLEUSA-N 1 1 287.762 3.086 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000228966804 333299390 /nfs/dbraw/zinc/29/93/90/333299390.db2.gz LTTVFKLYGCMALR-SJLPKXTDSA-N 1 1 283.371 3.299 20 10 CGCDMO Cc1nc(CC[NH2+][C@@H](C)c2ccc(F)cc2O)cs1 ZINC000230658448 333319776 /nfs/dbraw/zinc/31/97/76/333319776.db2.gz XVIPRKFOJIBZCL-VIFPVBQESA-N 1 1 280.368 3.190 20 10 CGCDMO CCC(=O)CC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000276978346 521076344 /nfs/dbraw/zinc/07/63/44/521076344.db2.gz ZCVAXCBMUXFXAG-UHFFFAOYSA-N 1 1 274.408 3.086 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2ccc(O)cc2)c1 ZINC000290413138 521144982 /nfs/dbraw/zinc/14/49/82/521144982.db2.gz KETLEXNOSPESHS-UHFFFAOYSA-N 1 1 287.359 3.129 20 10 CGCDMO CCC[N@@H+](Cc1nc(C)c(C)o1)Cc1ccccc1O ZINC000068973520 521692852 /nfs/dbraw/zinc/69/28/52/521692852.db2.gz GHBVTUPULKIPQV-UHFFFAOYSA-N 1 1 274.364 3.409 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@]2(C)CCCO)cc1F ZINC000290323604 522180027 /nfs/dbraw/zinc/18/00/27/522180027.db2.gz DEWQWFWADDUPFO-QGZVFWFLSA-N 1 1 294.414 3.019 20 10 CGCDMO CC[C@H](CSC)[N@H+](C)Cc1cccc(F)c1O ZINC000290289138 522268766 /nfs/dbraw/zinc/26/87/66/522268766.db2.gz AEJPKFPZWAQWEK-LLVKDONJSA-N 1 1 257.374 3.105 20 10 CGCDMO CC[C@H](CSC)[N@@H+](C)Cc1cccc(F)c1O ZINC000290289138 522268780 /nfs/dbraw/zinc/26/87/80/522268780.db2.gz AEJPKFPZWAQWEK-LLVKDONJSA-N 1 1 257.374 3.105 20 10 CGCDMO C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)CC1(CO)CC1 ZINC000275843247 523159599 /nfs/dbraw/zinc/15/95/99/523159599.db2.gz HDXCYXTWIUZSML-UHFFFAOYSA-N 1 1 297.398 3.264 20 10 CGCDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000290654396 523186369 /nfs/dbraw/zinc/18/63/69/523186369.db2.gz ZFXLLIVCMBVQSG-YPMHNXCESA-N 1 1 279.380 3.172 20 10 CGCDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000290654394 523369118 /nfs/dbraw/zinc/36/91/18/523369118.db2.gz ZFXLLIVCMBVQSG-WCQYABFASA-N 1 1 279.380 3.172 20 10 CGCDMO Cc1cccc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1O ZINC000291669413 524386995 /nfs/dbraw/zinc/38/69/95/524386995.db2.gz WETPVVNYGRWESL-HOCLYGCPSA-N 1 1 275.392 3.090 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000127406490 525343442 /nfs/dbraw/zinc/34/34/42/525343442.db2.gz WRLSGFNSQCEAKC-OAHLLOKOSA-N 1 1 256.349 3.366 20 10 CGCDMO C[C@@]1(O)CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000129419570 525882468 /nfs/dbraw/zinc/88/24/68/525882468.db2.gz LHTKHCKWEYVIEV-GOSISDBHSA-N 1 1 288.435 3.024 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000289715060 526348639 /nfs/dbraw/zinc/34/86/39/526348639.db2.gz GVTFIWDRWQBRKO-HNNXBMFYSA-N 1 1 272.323 3.263 20 10 CGCDMO Cc1nc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cs1 ZINC000730818518 572378053 /nfs/dbraw/zinc/37/80/53/572378053.db2.gz XJFLPGYIWRBWJL-SNVBAGLBSA-N 1 1 274.389 3.237 20 10 CGCDMO Oc1ccccc1C[N@@H+](C[C@H]1CCOC1)C1CCCC1 ZINC000732204064 572451385 /nfs/dbraw/zinc/45/13/85/572451385.db2.gz BATMHOBTAXFFQR-CQSZACIVSA-N 1 1 275.392 3.173 20 10 CGCDMO CC(C)C[C@H]1COCC[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000733790222 572602998 /nfs/dbraw/zinc/60/29/98/572602998.db2.gz HTPRIZHOGPXEFG-KRWDZBQOSA-N 1 1 289.419 3.128 20 10 CGCDMO CCCCC[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000735492552 572726040 /nfs/dbraw/zinc/72/60/40/572726040.db2.gz JCAANHBAQJOYSQ-UHFFFAOYSA-N 1 1 299.798 3.211 20 10 CGCDMO CCCCC[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000735492552 572726042 /nfs/dbraw/zinc/72/60/42/572726042.db2.gz JCAANHBAQJOYSQ-UHFFFAOYSA-N 1 1 299.798 3.211 20 10 CGCDMO C[C@@H]1c2ccccc2C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000747460815 572930519 /nfs/dbraw/zinc/93/05/19/572930519.db2.gz CDVUFKQBPFPBGU-LLVKDONJSA-N 1 1 283.327 3.198 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000121241499 618100819 /nfs/dbraw/zinc/10/08/19/618100819.db2.gz BEOAZZAKOSBBDI-NSHDSACASA-N 1 1 291.782 3.148 20 10 CGCDMO COc1ccc(C[N@@H+](C)C2CCCCC2)c(O)c1OC ZINC000891447754 618216437 /nfs/dbraw/zinc/21/64/37/618216437.db2.gz VSUMHOAATBKPTF-UHFFFAOYSA-N 1 1 279.380 3.174 20 10 CGCDMO C[C@@H]([NH2+]CCc1cn2ccccc2n1)c1ccc(F)cc1O ZINC000184969520 625284502 /nfs/dbraw/zinc/28/45/02/625284502.db2.gz KFWVTRSKRZNXAE-GFCCVEGCSA-N 1 1 299.349 3.072 20 10 CGCDMO C[N@@H+](Cc1ccc(Br)o1)Cc1ccccc1O ZINC000179556949 618795553 /nfs/dbraw/zinc/79/55/53/618795553.db2.gz HRNQZJORROMVRB-UHFFFAOYSA-N 1 1 296.164 3.380 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@H](C)C[C@H]2C)c1O ZINC000169084625 618916105 /nfs/dbraw/zinc/91/61/05/618916105.db2.gz UNDOEAWMQTZYJS-NXEZZACHSA-N 1 1 269.772 3.285 20 10 CGCDMO CCOc1cccc(C[N@@H+](CC)Cc2ccoc2)c1O ZINC000092935857 619153110 /nfs/dbraw/zinc/15/31/10/619153110.db2.gz KOHXKQCBUHLWPX-UHFFFAOYSA-N 1 1 275.348 3.406 20 10 CGCDMO CCC[N@@H+](C)Cc1cc(Br)cc(C)c1O ZINC000162808908 619178041 /nfs/dbraw/zinc/17/80/41/619178041.db2.gz QKNWANYRFIWBMI-UHFFFAOYSA-N 1 1 272.186 3.305 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1C ZINC000840957065 619270061 /nfs/dbraw/zinc/27/00/61/619270061.db2.gz IETOPSYYRYGCKG-ROUUACIJSA-N 1 1 297.398 3.317 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@H](CF)C2)cc1 ZINC000895568708 619853693 /nfs/dbraw/zinc/85/36/93/619853693.db2.gz PTEDRNHSIIEFPK-NHZBNJEXSA-N 1 1 262.372 3.057 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@@H](c3nccs3)C2)c(O)c1 ZINC000895583363 619854028 /nfs/dbraw/zinc/85/40/28/619854028.db2.gz NYZDFQUMKZERHF-CYBMUJFWSA-N 1 1 274.389 3.147 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895842746 619893005 /nfs/dbraw/zinc/89/30/05/619893005.db2.gz FHVOESFPFMKNRL-NHYWBVRUSA-N 1 1 281.783 3.047 20 10 CGCDMO Cc1cccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)c1O ZINC000896423523 620006856 /nfs/dbraw/zinc/00/68/56/620006856.db2.gz UANPWFBEGTXOEM-GDBMZVCRSA-N 1 1 287.334 3.262 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000896637323 620041439 /nfs/dbraw/zinc/04/14/39/620041439.db2.gz DOOOTZHEXHXWBY-UHFFFAOYSA-N 1 1 287.334 3.146 20 10 CGCDMO CCc1ccc(C[NH2+]Cc2c(O)cccc2F)cc1 ZINC000896640703 620042033 /nfs/dbraw/zinc/04/20/33/620042033.db2.gz MOWXLNUHIDINPX-UHFFFAOYSA-N 1 1 259.324 3.384 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)c1 ZINC000897269364 620175461 /nfs/dbraw/zinc/17/54/61/620175461.db2.gz CYWNDMLXPQCMRV-MRXNPFEDSA-N 1 1 289.419 3.339 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)c1O ZINC000897269455 620175873 /nfs/dbraw/zinc/17/58/73/620175873.db2.gz GETCSFFDRKZXBS-MRXNPFEDSA-N 1 1 289.419 3.339 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+]2CC(C)=C[C@H](C)C2)c1O ZINC000797605268 620220151 /nfs/dbraw/zinc/22/01/51/620220151.db2.gz OQYUKACNFHRCEO-JTQLQIEISA-N 1 1 281.783 3.452 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H]1C ZINC000751929225 620252358 /nfs/dbraw/zinc/25/23/58/620252358.db2.gz PCHLWKBDXNAGOU-TXEJJXNPSA-N 1 1 277.408 3.483 20 10 CGCDMO CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841743954 620345080 /nfs/dbraw/zinc/34/50/80/620345080.db2.gz DMJUEDDIKCGPQP-NWDGAFQWSA-N 1 1 282.815 3.038 20 10 CGCDMO CC(C)[C@@H](O)C1(C[NH2+][C@H](C)c2ccc(Cl)cc2O)CC1 ZINC000841747475 620353347 /nfs/dbraw/zinc/35/33/47/620353347.db2.gz BMEXPNLQSDGFMK-IAQYHMDHSA-N 1 1 297.826 3.493 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)[C@H]1CCOC1 ZINC000841756398 620403122 /nfs/dbraw/zinc/40/31/22/620403122.db2.gz XPHAFQKCGKKNJJ-VWYCJHECSA-N 1 1 269.772 3.121 20 10 CGCDMO C[C@@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccc(F)cc1O ZINC000903280144 621660599 /nfs/dbraw/zinc/66/05/99/621660599.db2.gz BCRBCDICRWNSBZ-WIZUOIALSA-N 1 1 279.355 3.140 20 10 CGCDMO CCCC[C@@H](C)[N@@H+](C)Cc1cc(OC)ccc1O ZINC000311090439 622458099 /nfs/dbraw/zinc/45/80/99/622458099.db2.gz YQLYUXNJXZNKMU-GFCCVEGCSA-N 1 1 251.370 3.411 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CCCc2ccccc2C1 ZINC000166374281 622883957 /nfs/dbraw/zinc/88/39/57/622883957.db2.gz SUVFKOBIQAHJDF-UHFFFAOYSA-N 1 1 271.335 3.480 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CCCc2ccccc2C1 ZINC000166374281 622883960 /nfs/dbraw/zinc/88/39/60/622883960.db2.gz SUVFKOBIQAHJDF-UHFFFAOYSA-N 1 1 271.335 3.480 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCCCS1)c1ccc(F)cc1O ZINC000157986972 622990264 /nfs/dbraw/zinc/99/02/64/622990264.db2.gz QUMPBTJRGPITEU-JQWIXIFHSA-N 1 1 269.385 3.468 20 10 CGCDMO CCC[N@@H+](CCOC(C)(C)C)Cc1ccccc1O ZINC000170779073 623098931 /nfs/dbraw/zinc/09/89/31/623098931.db2.gz PCMBHUIAFPXCBX-UHFFFAOYSA-N 1 1 265.397 3.419 20 10 CGCDMO CO[C@]1(C)CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000230299718 623232558 /nfs/dbraw/zinc/23/25/58/623232558.db2.gz BKIVTVZYOOHBMB-CQSZACIVSA-N 1 1 269.772 3.047 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1O ZINC000062747654 623266502 /nfs/dbraw/zinc/26/65/02/623266502.db2.gz CSNCAWUKTCIVFW-JTQLQIEISA-N 1 1 290.294 3.290 20 10 CGCDMO CC[NH+](CC)CCC[N@@H+](CC)Cc1cccc(C)c1O ZINC000230744992 623267215 /nfs/dbraw/zinc/26/72/15/623267215.db2.gz JBRWGOHFHGBDCE-UHFFFAOYSA-N 1 1 278.440 3.254 20 10 CGCDMO CCN(CCC[NH+](CC)CC)Cc1cccc(C)c1O ZINC000230744992 623267217 /nfs/dbraw/zinc/26/72/17/623267217.db2.gz JBRWGOHFHGBDCE-UHFFFAOYSA-N 1 1 278.440 3.254 20 10 CGCDMO CC(C)CCOCC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000062748375 623268785 /nfs/dbraw/zinc/26/87/85/623268785.db2.gz HPFHJVCBFOVGBP-LBPRGKRZSA-N 1 1 269.360 3.245 20 10 CGCDMO CCC(CC)[C@@H](CNCc1ccc(OC)c(C)c1)[NH+](C)C ZINC000035258593 623423527 /nfs/dbraw/zinc/42/35/27/623423527.db2.gz CXSJJZFHCCHKCC-QGZVFWFLSA-N 1 1 292.467 3.460 20 10 CGCDMO C[N@@H+](CCC(=O)c1ccc(F)cc1)Cc1ccccc1O ZINC000182652136 625023976 /nfs/dbraw/zinc/02/39/76/625023976.db2.gz NZQHAILTPVOPGZ-UHFFFAOYSA-N 1 1 287.334 3.236 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000184247151 625213130 /nfs/dbraw/zinc/21/31/30/625213130.db2.gz GSDQKDUPSVDMCT-GOSISDBHSA-N 1 1 297.398 3.226 20 10 CGCDMO C[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)CCS1 ZINC000922833530 626052704 /nfs/dbraw/zinc/05/27/04/626052704.db2.gz IYRAXVCJCVSURD-KWQFWETISA-N 1 1 273.348 3.044 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000923029894 626124053 /nfs/dbraw/zinc/12/40/53/626124053.db2.gz LMEGJUNTDCTNPG-CYBMUJFWSA-N 1 1 299.773 3.376 20 10 CGCDMO CC[C@@H](C)C[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774907346 626181730 /nfs/dbraw/zinc/18/17/30/626181730.db2.gz ABJZEPHUJNSBGQ-LLVKDONJSA-N 1 1 296.367 3.177 20 10 CGCDMO CC[C@@H](C)C[N@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774907346 626181732 /nfs/dbraw/zinc/18/17/32/626181732.db2.gz ABJZEPHUJNSBGQ-LLVKDONJSA-N 1 1 296.367 3.177 20 10 CGCDMO CC[C@@H](C)C[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774907346 626181734 /nfs/dbraw/zinc/18/17/34/626181734.db2.gz ABJZEPHUJNSBGQ-LLVKDONJSA-N 1 1 296.367 3.177 20 10 CGCDMO COC(=O)c1cc2ccccc2c(C[N@H+]2CCC[C@H]2C)c1O ZINC000751924135 626411524 /nfs/dbraw/zinc/41/15/24/626411524.db2.gz HAYRWKZWKPCSAK-GFCCVEGCSA-N 1 1 299.370 3.316 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+](C)CCCOC(C)C)c1 ZINC000754742205 626585836 /nfs/dbraw/zinc/58/58/36/626585836.db2.gz TWYPESOXCHJNMK-UHFFFAOYSA-N 1 1 265.397 3.256 20 10 CGCDMO CC(C)[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000755921217 626660587 /nfs/dbraw/zinc/66/05/87/626660587.db2.gz NQXQHBCTIWYQAN-CQSZACIVSA-N 1 1 270.376 3.418 20 10 CGCDMO CC(C)c1nnc(C[NH2+]Cc2cc(Cl)ccc2O)s1 ZINC000756130408 626679207 /nfs/dbraw/zinc/67/92/07/626679207.db2.gz BTCQFLZFDCKSLR-UHFFFAOYSA-N 1 1 297.811 3.310 20 10 CGCDMO CCC(CC)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000756345958 626694159 /nfs/dbraw/zinc/69/41/59/626694159.db2.gz ZWSAUVRDQIQHFV-SNVBAGLBSA-N 1 1 265.353 3.018 20 10 CGCDMO C[C@@H]1C[C@@H]([NH2+]Cc2cscn2)c2c1c(F)ccc2O ZINC000756511703 626711443 /nfs/dbraw/zinc/71/14/43/626711443.db2.gz ZXWZIFUTDWPXJB-LDYMZIIASA-N 1 1 278.352 3.326 20 10 CGCDMO CC[C@H]1CCCCN1CC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000756575925 626716777 /nfs/dbraw/zinc/71/67/77/626716777.db2.gz RIHRYLSJSMRCFS-ZFWWWQNUSA-N 1 1 294.414 3.446 20 10 CGCDMO CO[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1O)C(C)(C)C ZINC000756625688 626721469 /nfs/dbraw/zinc/72/14/69/626721469.db2.gz KPHUKIAZFRUUEN-NOZJJQNGSA-N 1 1 287.350 3.382 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1C ZINC000756880022 626738963 /nfs/dbraw/zinc/73/89/63/626738963.db2.gz DXYUYZLPXJVVIZ-GDBMZVCRSA-N 1 1 275.392 3.010 20 10 CGCDMO C[C@@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1ccc(F)cc1O ZINC000757654501 626797785 /nfs/dbraw/zinc/79/77/85/626797785.db2.gz AXWLBNWRKIDHIV-JHJVBQTASA-N 1 1 281.371 3.387 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCOC(C)(C)[C@@H]2C)cc1C ZINC000763214687 627145260 /nfs/dbraw/zinc/14/52/60/627145260.db2.gz ZAUIRKWSXPYRGG-ZDUSSCGKSA-N 1 1 263.381 3.008 20 10 CGCDMO CC(C)[C@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000768319544 627473644 /nfs/dbraw/zinc/47/36/44/627473644.db2.gz PPYCUCKDSSIHGA-GOSISDBHSA-N 1 1 288.435 3.144 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)[C@@H](C)C(C)(C)C)cc1OC ZINC000768442409 627480814 /nfs/dbraw/zinc/48/08/14/627480814.db2.gz UWXWWLRQQYYVCX-NSHDSACASA-N 1 1 281.396 3.276 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)C[C@H](C)CC)c(O)c1 ZINC000768766344 627497323 /nfs/dbraw/zinc/49/73/23/627497323.db2.gz JLPYNNURNBFPSU-GFCCVEGCSA-N 1 1 251.370 3.269 20 10 CGCDMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000768892804 627506474 /nfs/dbraw/zinc/50/64/74/627506474.db2.gz LKOGHPDQGRXBFT-INIZCTEOSA-N 1 1 298.430 3.136 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCOc2ccccc2[C@@H]1C ZINC000768930685 627509538 /nfs/dbraw/zinc/50/95/38/627509538.db2.gz OEPGDHLDGSQKFT-ZDUSSCGKSA-N 1 1 299.370 3.356 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)Cc2ccoc2)c1O ZINC000769003013 627515579 /nfs/dbraw/zinc/51/55/79/627515579.db2.gz ABZUERXVLRMTOC-UHFFFAOYSA-N 1 1 261.321 3.016 20 10 CGCDMO C[N@H+](Cc1ccoc1)Cc1c(O)cccc1Cl ZINC000769007298 627515884 /nfs/dbraw/zinc/51/58/84/627515884.db2.gz YPPDOTDENSMTRD-UHFFFAOYSA-N 1 1 251.713 3.271 20 10 CGCDMO C[N@@H+](Cc1ccoc1)Cc1c(O)cccc1Cl ZINC000769007298 627515886 /nfs/dbraw/zinc/51/58/86/627515886.db2.gz YPPDOTDENSMTRD-UHFFFAOYSA-N 1 1 251.713 3.271 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@H](C)[C@H]2C)cc1 ZINC000769421594 627551268 /nfs/dbraw/zinc/55/12/68/627551268.db2.gz AXXHNBGPTIACPV-HUUCEWRRSA-N 1 1 276.424 3.142 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C(C)(C)C1 ZINC000769450155 627553351 /nfs/dbraw/zinc/55/33/51/627553351.db2.gz BCAVLABHDAMUQJ-HNNXBMFYSA-N 1 1 288.435 3.144 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)CCOC(C)(C)C)c1 ZINC000769514477 627561779 /nfs/dbraw/zinc/56/17/79/627561779.db2.gz HWKYXIDWQFXKRO-UHFFFAOYSA-N 1 1 281.396 3.038 20 10 CGCDMO CC[C@@]1(C)CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000769519263 627562329 /nfs/dbraw/zinc/56/23/29/627562329.db2.gz NRJZAWSGENUKGS-SFHVURJKSA-N 1 1 288.435 3.145 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000769517131 627562621 /nfs/dbraw/zinc/56/26/21/627562621.db2.gz ZCJBVTNQHLKQFJ-NSHDSACASA-N 1 1 251.757 3.278 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ncc(Cl)s1 ZINC000769914130 627589323 /nfs/dbraw/zinc/58/93/23/627589323.db2.gz KSZFADNSKIOCPT-UHFFFAOYSA-N 1 1 295.839 3.461 20 10 CGCDMO CC[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000770304952 627612370 /nfs/dbraw/zinc/61/23/70/627612370.db2.gz NQNCYAHSNQSDBL-GFCCVEGCSA-N 1 1 250.361 3.124 20 10 CGCDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)CC)cc1 ZINC000773755627 627911458 /nfs/dbraw/zinc/91/14/58/627911458.db2.gz UNIVEJYIWXFNHI-ZWKOTPCHSA-N 1 1 290.451 3.268 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCc3ccc(O)cc3C2)cc1 ZINC000773773558 627914838 /nfs/dbraw/zinc/91/48/38/627914838.db2.gz NYDQHGLXDWAWAC-UHFFFAOYSA-N 1 1 296.414 3.407 20 10 CGCDMO CC[C@@H]([NH2+]Cc1ccon1)c1cc(Cl)ccc1O ZINC000775512167 628102921 /nfs/dbraw/zinc/10/29/21/628102921.db2.gz NCCKBOVSJGROBU-GFCCVEGCSA-N 1 1 266.728 3.275 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCc3ccsc3C2)c1 ZINC000775700224 628126808 /nfs/dbraw/zinc/12/68/08/628126808.db2.gz IYZFDKXVZBYTDU-UHFFFAOYSA-N 1 1 275.373 3.021 20 10 CGCDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2cccc(C)c2O)C1(C)C ZINC000775735544 628131018 /nfs/dbraw/zinc/13/10/18/628131018.db2.gz RPYRJWYKFIKPLZ-YOEHRIQHSA-N 1 1 277.408 3.336 20 10 CGCDMO CC(C)[C@@H]1CC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000775766297 628134142 /nfs/dbraw/zinc/13/41/42/628134142.db2.gz WLGGRAADCNGACR-AWEZNQCLSA-N 1 1 250.361 3.122 20 10 CGCDMO CCC[C@H](CC)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000776173741 628176111 /nfs/dbraw/zinc/17/61/11/628176111.db2.gz ILZCXHQJVCXIBA-KRWDZBQOSA-N 1 1 289.467 3.107 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C[C@@H]1F ZINC000777965500 628317095 /nfs/dbraw/zinc/31/70/95/628317095.db2.gz WWJVYIRTJAKYMR-WBMJQRKESA-N 1 1 277.383 3.451 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C[C@@H]1F ZINC000779151496 628391128 /nfs/dbraw/zinc/39/11/28/628391128.db2.gz YVBSLWLOWFANCJ-SKDRFNHKSA-N 1 1 257.736 3.226 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C[C@@H]1F ZINC000779151496 628391129 /nfs/dbraw/zinc/39/11/29/628391129.db2.gz YVBSLWLOWFANCJ-SKDRFNHKSA-N 1 1 257.736 3.226 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@H+](C)CC2CC2)c1 ZINC000781903359 628604348 /nfs/dbraw/zinc/60/43/48/628604348.db2.gz ZTTZPUGTWFEBCW-UHFFFAOYSA-N 1 1 284.197 3.305 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)CC2CC2)c1 ZINC000781903359 628604350 /nfs/dbraw/zinc/60/43/50/628604350.db2.gz ZTTZPUGTWFEBCW-UHFFFAOYSA-N 1 1 284.197 3.305 20 10 CGCDMO CCOC(=O)CC(C)(C)CC[N@@H+](C)Cc1ccccc1O ZINC000805745894 628715403 /nfs/dbraw/zinc/71/54/03/628715403.db2.gz KMHDMLTVYCHMCY-UHFFFAOYSA-N 1 1 293.407 3.194 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CC[C@@H]2CCOC2)cc1 ZINC000783514183 628720025 /nfs/dbraw/zinc/72/00/25/628720025.db2.gz KIVCREMHFRPDNL-QGZVFWFLSA-N 1 1 290.451 3.391 20 10 CGCDMO CC(C)[N@@H+](CCC[C@@H](C)O)Cc1ccc(N(C)C)cc1 ZINC000789310786 629122810 /nfs/dbraw/zinc/12/28/10/629122810.db2.gz VRAPEEACWWKINZ-OAHLLOKOSA-N 1 1 278.440 3.124 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)c1ccc(F)cc1O ZINC000790499700 629214448 /nfs/dbraw/zinc/21/44/48/629214448.db2.gz ZAXZQQJDDRQJSB-BLLLJJGKSA-N 1 1 294.414 3.302 20 10 CGCDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000790934634 629241913 /nfs/dbraw/zinc/24/19/13/629241913.db2.gz PVOABYWPTTUSLX-RISCZKNCSA-N 1 1 283.799 3.171 20 10 CGCDMO CO[C@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)CC[C@H]1C ZINC000792180385 629345506 /nfs/dbraw/zinc/34/55/06/629345506.db2.gz QZTPCWAXEPSXOM-RNCFNFMXSA-N 1 1 287.762 3.042 20 10 CGCDMO CO[C@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)CC[C@H]1C ZINC000792180385 629345510 /nfs/dbraw/zinc/34/55/10/629345510.db2.gz QZTPCWAXEPSXOM-RNCFNFMXSA-N 1 1 287.762 3.042 20 10 CGCDMO COCC[N@@H+](Cc1cc(OC)ccc1O)[C@H]1CC[C@@H](C)C1 ZINC000792192382 629346645 /nfs/dbraw/zinc/34/66/45/629346645.db2.gz JITBDRNZXVXHFD-HIFRSBDPSA-N 1 1 293.407 3.038 20 10 CGCDMO C[C@H]1CCSCC[N@H+]1Cc1c(O)cccc1Cl ZINC000792195086 629347551 /nfs/dbraw/zinc/34/75/51/629347551.db2.gz CHKNFJKHHMEPBY-JTQLQIEISA-N 1 1 271.813 3.373 20 10 CGCDMO C[N@@H+](Cc1c(O)ccc2ccccc21)CC1(C)COC1 ZINC000862477365 629383611 /nfs/dbraw/zinc/38/36/11/629383611.db2.gz KRTUJJMSWWABJB-UHFFFAOYSA-N 1 1 271.360 3.014 20 10 CGCDMO C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000862482372 629386420 /nfs/dbraw/zinc/38/64/20/629386420.db2.gz GXWPIHCOOHUYMN-OAHLLOKOSA-N 1 1 298.430 3.367 20 10 CGCDMO C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000862482372 629386434 /nfs/dbraw/zinc/38/64/34/629386434.db2.gz GXWPIHCOOHUYMN-OAHLLOKOSA-N 1 1 298.430 3.367 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)c1 ZINC000862541663 629397513 /nfs/dbraw/zinc/39/75/13/629397513.db2.gz ZDWMRKCEUPBDNV-OAHLLOKOSA-N 1 1 283.371 3.396 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c1O ZINC000793214790 629429053 /nfs/dbraw/zinc/42/90/53/629429053.db2.gz RGJVOSSYDDCOBZ-IAQYHMDHSA-N 1 1 295.810 3.353 20 10 CGCDMO CCN(C)c1ccc(Cn2cc[nH+]c2C2CC2)cc1 ZINC000863385590 629555864 /nfs/dbraw/zinc/55/58/64/629555864.db2.gz GMJLJMNFCWYWJC-UHFFFAOYSA-N 1 1 255.365 3.265 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CC[C@@H](C)NC2)c1O ZINC000863548292 629603589 /nfs/dbraw/zinc/60/35/89/629603589.db2.gz WVSWOXVSZOIVBK-MDZLAQPJSA-N 1 1 282.815 3.145 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@H](N3CCCC3)C[C@@H]2C)c1 ZINC000795705957 629710852 /nfs/dbraw/zinc/71/08/52/629710852.db2.gz JQVSRQRFADCZHS-DOTOQJQBSA-N 1 1 288.435 3.068 20 10 CGCDMO Cc1cc(C)c(O)c(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000795705957 629710855 /nfs/dbraw/zinc/71/08/55/629710855.db2.gz JQVSRQRFADCZHS-DOTOQJQBSA-N 1 1 288.435 3.068 20 10 CGCDMO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000796758238 629826944 /nfs/dbraw/zinc/82/69/44/629826944.db2.gz BTBAWGRSCYNBOC-PJODQICGSA-N 1 1 283.387 3.369 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H]1CCCCN1CC)c1ccc(F)cc1O ZINC000796764544 629829505 /nfs/dbraw/zinc/82/95/05/629829505.db2.gz VEMPKUJNUIMXLB-GDBMZVCRSA-N 1 1 294.414 3.446 20 10 CGCDMO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000796782113 629832593 /nfs/dbraw/zinc/83/25/93/629832593.db2.gz OYHLNSAGEWTNMR-LNSITVRQSA-N 1 1 283.387 3.369 20 10 CGCDMO CC[C@@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(F)cc1O ZINC000796798307 629835910 /nfs/dbraw/zinc/83/59/10/629835910.db2.gz KZUJMOZYZQUGLD-CXOJTPOUSA-N 1 1 281.371 3.266 20 10 CGCDMO CC[C@@H]([NH2+]CCC[C@@H](O)CC)c1ccc(F)cc1O ZINC000796827565 629842053 /nfs/dbraw/zinc/84/20/53/629842053.db2.gz OCOBJMSFSNOZBU-GXTWGEPZSA-N 1 1 269.360 3.123 20 10 CGCDMO CC1=C[C@H](C)C[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000797605706 629970463 /nfs/dbraw/zinc/97/04/63/629970463.db2.gz VDSXMQNOOBMENK-JTQLQIEISA-N 1 1 251.757 3.444 20 10 CGCDMO C[C@H]([NH2+]C[C@H](CO)CC1CCCC1)c1ccc(F)cc1O ZINC000798936572 630126899 /nfs/dbraw/zinc/12/68/99/630126899.db2.gz BUPBKHFDDZMZGU-GXTWGEPZSA-N 1 1 295.398 3.371 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](c3ccccn3)C2)cc1F ZINC000798962826 630128949 /nfs/dbraw/zinc/12/89/49/630128949.db2.gz QSSPAQJFCRHMMH-HNNXBMFYSA-N 1 1 299.393 3.276 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c1 ZINC000800858271 630305885 /nfs/dbraw/zinc/30/58/85/630305885.db2.gz LDJXUIXHCGDZBE-HNNXBMFYSA-N 1 1 299.418 3.122 20 10 CGCDMO CCCC[N@@H+](Cc1cnoc1C)Cc1ccccc1O ZINC000801597760 630346369 /nfs/dbraw/zinc/34/63/69/630346369.db2.gz ODFFGBFEDDNQFL-UHFFFAOYSA-N 1 1 274.364 3.491 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C[C@H]1C ZINC000840124109 630605619 /nfs/dbraw/zinc/60/56/19/630605619.db2.gz NTUCLIMZFBNPCC-FZKQIMNGSA-N 1 1 289.419 3.128 20 10 CGCDMO CCOc1ccc(C[N@@H+](CC)Cc2ccncc2)c(O)c1 ZINC000809726112 630793189 /nfs/dbraw/zinc/79/31/89/630793189.db2.gz DAGJTSPMGOQVCA-UHFFFAOYSA-N 1 1 286.375 3.208 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000809786641 630808312 /nfs/dbraw/zinc/80/83/12/630808312.db2.gz HQCXNFJJRAQHRE-CYBMUJFWSA-N 1 1 261.365 3.023 20 10 CGCDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)CC(C)(C)C ZINC000812794758 631313197 /nfs/dbraw/zinc/31/31/97/631313197.db2.gz FEXXEANKCNQYDF-UHFFFAOYSA-N 1 1 296.367 3.177 20 10 CGCDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)CC(C)(C)C ZINC000812794758 631313201 /nfs/dbraw/zinc/31/32/01/631313201.db2.gz FEXXEANKCNQYDF-UHFFFAOYSA-N 1 1 296.367 3.177 20 10 CGCDMO CC[C@@]1(C)C[N@@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000815099898 631716295 /nfs/dbraw/zinc/71/62/95/631716295.db2.gz ODCBFLCEPCPDKE-KRWDZBQOSA-N 1 1 276.424 3.062 20 10 CGCDMO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)ccc1N(C)C ZINC000815102205 631717349 /nfs/dbraw/zinc/71/73/49/631717349.db2.gz HEPMETZQIIASQG-KDOFPFPSSA-N 1 1 288.435 3.060 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)[C@H](C)C1 ZINC000815107158 631719099 /nfs/dbraw/zinc/71/90/99/631719099.db2.gz HHCWLCBKRLHBGD-GDBMZVCRSA-N 1 1 276.424 3.060 20 10 CGCDMO C[C@@H]([NH2+][C@H](C)C(C)(C)O)c1cccc(C(F)(F)F)c1O ZINC000815604179 631804750 /nfs/dbraw/zinc/80/47/50/631804750.db2.gz GVNFFJVFASWKNE-RKDXNWHRSA-N 1 1 291.313 3.221 20 10 CGCDMO CC[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816519981 632003353 /nfs/dbraw/zinc/00/33/53/632003353.db2.gz BSJNTYZCTTVOTM-VIFPVBQESA-N 1 1 257.736 3.417 20 10 CGCDMO CC[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816519981 632003361 /nfs/dbraw/zinc/00/33/61/632003361.db2.gz BSJNTYZCTTVOTM-VIFPVBQESA-N 1 1 257.736 3.417 20 10 CGCDMO CC(C)(C)C[C@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816551311 632008591 /nfs/dbraw/zinc/00/85/91/632008591.db2.gz XEFCGDWFYNJNGU-JTQLQIEISA-N 1 1 289.778 3.071 20 10 CGCDMO C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816564367 632012852 /nfs/dbraw/zinc/01/28/52/632012852.db2.gz COEVEDSMEQGISL-ZFWWWQNUSA-N 1 1 285.387 3.138 20 10 CGCDMO CO[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)CC[C@H]1C ZINC000816586392 632017537 /nfs/dbraw/zinc/01/75/37/632017537.db2.gz GSKJYKONPLQZGD-OTYXRUKQSA-N 1 1 287.762 3.042 20 10 CGCDMO CO[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)CC[C@H]1C ZINC000816586392 632017568 /nfs/dbraw/zinc/01/75/68/632017568.db2.gz GSKJYKONPLQZGD-OTYXRUKQSA-N 1 1 287.762 3.042 20 10 CGCDMO CC(C)C[C@H](CO)[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816612564 632022561 /nfs/dbraw/zinc/02/25/61/632022561.db2.gz SFWLHSSEDFTVAC-LLVKDONJSA-N 1 1 289.778 3.024 20 10 CGCDMO CC(C)C[C@H](CO)[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816612564 632022567 /nfs/dbraw/zinc/02/25/67/632022567.db2.gz SFWLHSSEDFTVAC-LLVKDONJSA-N 1 1 289.778 3.024 20 10 CGCDMO CN(C)c1ccc(CN2CC[N@@H+](C)Cc3ccccc32)cc1 ZINC000816617532 632025387 /nfs/dbraw/zinc/02/53/87/632025387.db2.gz CAWCAXDZWRKHGR-UHFFFAOYSA-N 1 1 295.430 3.205 20 10 CGCDMO CC[N@@H+](Cc1cc(Cl)c(F)cc1O)C[C@@H](C)OC ZINC000816617105 632025482 /nfs/dbraw/zinc/02/54/82/632025482.db2.gz OZVDTJJZTCMUEC-SECBINFHSA-N 1 1 275.751 3.042 20 10 CGCDMO CC[N@H+](Cc1cc(Cl)c(F)cc1O)C[C@@H](C)OC ZINC000816617105 632025491 /nfs/dbraw/zinc/02/54/91/632025491.db2.gz OZVDTJJZTCMUEC-SECBINFHSA-N 1 1 275.751 3.042 20 10 CGCDMO COc1cccc(C[N@H+]2CC(C)(C)[C@@H]2C(C)C)c1O ZINC000816625121 632027145 /nfs/dbraw/zinc/02/71/45/632027145.db2.gz RZIAQFBAAWVDLK-HNNXBMFYSA-N 1 1 263.381 3.267 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](CCO)CC2)c1O ZINC000817418729 632146714 /nfs/dbraw/zinc/14/67/14/632146714.db2.gz DDNCWCHJSQIRPW-ZDUSSCGKSA-N 1 1 297.826 3.339 20 10 CGCDMO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccsc1 ZINC000817938484 632239671 /nfs/dbraw/zinc/23/96/71/632239671.db2.gz LFBMRJHJGDVYPZ-WBMJQRKESA-N 1 1 289.448 3.165 20 10 CGCDMO CC[NH2+]CCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000817942797 632242593 /nfs/dbraw/zinc/24/25/93/632242593.db2.gz FACMXLGUHDJXSE-CYBMUJFWSA-N 1 1 272.392 3.196 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817948085 632244802 /nfs/dbraw/zinc/24/48/02/632244802.db2.gz UXFGMXFPPLLNRO-JMSVASOKSA-N 1 1 296.842 3.474 20 10 CGCDMO C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc2ccccc2c1[O-] ZINC000817955366 632250611 /nfs/dbraw/zinc/25/06/11/632250611.db2.gz WMGYGWFWGGIONI-KGLIPLIRSA-N 1 1 284.403 3.196 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)C[NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000817966397 632261142 /nfs/dbraw/zinc/26/11/42/632261142.db2.gz MUSFFHKDYWESGW-RDDDGLTNSA-N 1 1 277.195 3.087 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CNCC[C@@H]2C)c1O ZINC000817968029 632261536 /nfs/dbraw/zinc/26/15/36/632261536.db2.gz GHHLILGQETYSPG-NURSFMCSSA-N 1 1 282.815 3.003 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)C(F)F ZINC000824508581 633251389 /nfs/dbraw/zinc/25/13/89/633251389.db2.gz FODAQUFTZMDYQU-GZMMTYOYSA-N 1 1 259.296 3.095 20 10 CGCDMO CC[C@H](CO)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000824533754 633255640 /nfs/dbraw/zinc/25/56/40/633255640.db2.gz MRZKTAMZKXKEHU-QGZVFWFLSA-N 1 1 285.387 3.262 20 10 CGCDMO Oc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824697114 633274290 /nfs/dbraw/zinc/27/42/90/633274290.db2.gz YXZIPUBZYPUESX-ZMSDIMECSA-N 1 1 293.382 3.047 20 10 CGCDMO Cc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1O ZINC000824695707 633274709 /nfs/dbraw/zinc/27/47/09/633274709.db2.gz BKUGWDCMHZQVIK-BBWFWOEESA-N 1 1 289.419 3.216 20 10 CGCDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2ccc3ccccc3c2O)C1 ZINC000825337476 633346740 /nfs/dbraw/zinc/34/67/40/633346740.db2.gz GSSNXTRYFHYBOQ-KRWDZBQOSA-N 1 1 298.430 3.460 20 10 CGCDMO CC(C)N1CC[C@H]([N@H+](C)Cc2ccc3ccccc3c2O)C1 ZINC000825337476 633346751 /nfs/dbraw/zinc/34/67/51/633346751.db2.gz GSSNXTRYFHYBOQ-KRWDZBQOSA-N 1 1 298.430 3.460 20 10 CGCDMO CC(C)N1CC[C@H]([N@@H+](C)Cc2ccc3ccccc3c2O)C1 ZINC000825337476 633346755 /nfs/dbraw/zinc/34/67/55/633346755.db2.gz GSSNXTRYFHYBOQ-KRWDZBQOSA-N 1 1 298.430 3.460 20 10 CGCDMO CO[C@@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2O)CC[C@H]1C ZINC000825633563 633368674 /nfs/dbraw/zinc/36/86/74/633368674.db2.gz AXUJUFLAMHZIJV-MEBBXXQBSA-N 1 1 283.799 3.211 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC[C@H](CCF)C2)c(O)c1 ZINC000827271840 633476802 /nfs/dbraw/zinc/47/68/02/633476802.db2.gz UDFPBXQWDQDLJP-CYBMUJFWSA-N 1 1 281.371 3.363 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@H](C)O1 ZINC000827371152 633485986 /nfs/dbraw/zinc/48/59/86/633485986.db2.gz PWQIOKMJJOKZCO-ZJUUUORDSA-N 1 1 287.762 3.184 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@H](C)O1 ZINC000827371152 633485989 /nfs/dbraw/zinc/48/59/89/633485989.db2.gz PWQIOKMJJOKZCO-ZJUUUORDSA-N 1 1 287.762 3.184 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3C[C@H]3C2)c1O ZINC000827506305 633495683 /nfs/dbraw/zinc/49/56/83/633495683.db2.gz GIRKTEMHDUXTBK-QWRGUYRKSA-N 1 1 251.757 3.196 20 10 CGCDMO Oc1c(C[N@H+]2CC[C@H]3COC[C@H]3C2)ccc2ccccc21 ZINC000827601736 633502170 /nfs/dbraw/zinc/50/21/70/633502170.db2.gz HSACGHRXAWOCFF-JKSUJKDBSA-N 1 1 283.371 3.014 20 10 CGCDMO CCc1cccc(C[N@H+]2CCOc3ccc(O)cc3C2)c1O ZINC000827655937 633508522 /nfs/dbraw/zinc/50/85/22/633508522.db2.gz FTIZMTOFOSFCGD-UHFFFAOYSA-N 1 1 299.370 3.055 20 10 CGCDMO COc1cccc(C[N@@H+](CCC2CC2)CC2CC2)c1O ZINC000827729664 633513253 /nfs/dbraw/zinc/51/32/53/633513253.db2.gz XSMYHUOYGQFZTN-UHFFFAOYSA-N 1 1 275.392 3.413 20 10 CGCDMO Cc1cc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)ccc1N(C)C ZINC000830740372 633882726 /nfs/dbraw/zinc/88/27/26/633882726.db2.gz SHWNRPPBGOCIIN-OAHLLOKOSA-N 1 1 288.435 3.204 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@H]2COC)cc1 ZINC000832620667 634075532 /nfs/dbraw/zinc/07/55/32/634075532.db2.gz KUOYZKDGVORIFF-KRWDZBQOSA-N 1 1 276.424 3.144 20 10 CGCDMO CCCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)cc1C ZINC000873060771 634238388 /nfs/dbraw/zinc/23/83/88/634238388.db2.gz MYBUGNYAHSMSLR-NVXWUHKLSA-N 1 1 290.451 3.356 20 10 CGCDMO CCCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000873060771 634238391 /nfs/dbraw/zinc/23/83/91/634238391.db2.gz MYBUGNYAHSMSLR-NVXWUHKLSA-N 1 1 290.451 3.356 20 10 CGCDMO CCCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000873060771 634238397 /nfs/dbraw/zinc/23/83/97/634238397.db2.gz MYBUGNYAHSMSLR-NVXWUHKLSA-N 1 1 290.451 3.356 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1cc(Cl)c(Cl)cc1O ZINC000834916438 634287288 /nfs/dbraw/zinc/28/72/88/634287288.db2.gz YQFCVUYPKHCJLI-NZXMKCKXSA-N 1 1 290.190 3.263 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cc(Cl)ccc1[O-] ZINC000873241329 634298356 /nfs/dbraw/zinc/29/83/56/634298356.db2.gz VTECPXSNAFFXJO-NQBHXWOUSA-N 1 1 282.815 3.214 20 10 CGCDMO C[C@@H]1CSCC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835027761 634325259 /nfs/dbraw/zinc/32/52/59/634325259.db2.gz GTOKHHUFOOCBCQ-ISZGNANSSA-N 1 1 276.449 3.203 20 10 CGCDMO CC[C@]1(CO)CCC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835046760 634333576 /nfs/dbraw/zinc/33/35/76/634333576.db2.gz ZMSCMWTYIRYDFC-SUQGKYDKSA-N 1 1 288.435 3.003 20 10 CGCDMO CC[C@@]1(CO)CCC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835046756 634333610 /nfs/dbraw/zinc/33/36/10/634333610.db2.gz ZMSCMWTYIRYDFC-FZMUQLTDSA-N 1 1 288.435 3.003 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)Cc2ccncc2)cc1 ZINC000835047284 634334697 /nfs/dbraw/zinc/33/46/97/634334697.db2.gz FSIJSBIQZLFRTH-PLNGDYQASA-N 1 1 281.403 3.293 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000876762809 634895724 /nfs/dbraw/zinc/89/57/24/634895724.db2.gz HBJSVEGWASYRIL-QGZVFWFLSA-N 1 1 275.392 3.093 20 10 CGCDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc(C)cc1O ZINC000876806691 634902185 /nfs/dbraw/zinc/90/21/85/634902185.db2.gz RXPDVZVAZNQSMO-MRXNPFEDSA-N 1 1 285.391 3.080 20 10 CGCDMO Cc1ccc(C[N@@H+](CCO)Cc2c(C)cccc2O)cc1 ZINC000877197913 635012894 /nfs/dbraw/zinc/01/28/94/635012894.db2.gz YCBIXZGWJSEEFF-UHFFFAOYSA-N 1 1 285.387 3.004 20 10 CGCDMO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccn(CC)n2)cc1 ZINC000840839834 635062203 /nfs/dbraw/zinc/06/22/03/635062203.db2.gz UYEVVOIFJOONLW-AWEZNQCLSA-N 1 1 286.423 3.210 20 10 CGCDMO Cc1csc(C[NH2+]Cc2c(O)cc(C)cc2Cl)n1 ZINC000840875619 635071095 /nfs/dbraw/zinc/07/10/95/635071095.db2.gz PMJLHUGFUUXNGP-UHFFFAOYSA-N 1 1 282.796 3.409 20 10 CGCDMO Cc1cc(O)c(C[NH2+]Cc2nccs2)c(Cl)c1 ZINC000840879276 635072205 /nfs/dbraw/zinc/07/22/05/635072205.db2.gz DGZLDSHGRSUICE-UHFFFAOYSA-N 1 1 268.769 3.100 20 10 CGCDMO CCC[N@@H+]1CC[C@H](CNCc2c(O)cc(C)cc2Cl)C1 ZINC000840884102 635073220 /nfs/dbraw/zinc/07/32/20/635073220.db2.gz IWCCTOQIROABJM-CYBMUJFWSA-N 1 1 296.842 3.176 20 10 CGCDMO CCC[N@H+]1CC[C@H](CNCc2c(O)cc(C)cc2Cl)C1 ZINC000840884102 635073223 /nfs/dbraw/zinc/07/32/23/635073223.db2.gz IWCCTOQIROABJM-CYBMUJFWSA-N 1 1 296.842 3.176 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)c1csnn1)c1ccc(C)cc1O ZINC000840885307 635074349 /nfs/dbraw/zinc/07/43/49/635074349.db2.gz BKAZZOSAZSICCL-ZYHUDNBSSA-N 1 1 277.393 3.354 20 10 CGCDMO Cc1cc(C[C@H](C)[NH2+]Cc2c(O)cc(C)cc2Cl)n[nH]1 ZINC000840908781 635080159 /nfs/dbraw/zinc/08/01/59/635080159.db2.gz JJUKBCTYHAUJPC-JTQLQIEISA-N 1 1 293.798 3.106 20 10 CGCDMO Cc1ncsc1C[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840914959 635081124 /nfs/dbraw/zinc/08/11/24/635081124.db2.gz WYKNAQQSJSSFIJ-UHFFFAOYSA-N 1 1 289.448 3.458 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCOCC3(CCC3)C2)c(Cl)c1 ZINC000840939565 635086823 /nfs/dbraw/zinc/08/68/23/635086823.db2.gz NWUZZNMWNYGTQY-UHFFFAOYSA-N 1 1 295.810 3.357 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)CCc2ccccn2)c(Cl)c1 ZINC000840939713 635087091 /nfs/dbraw/zinc/08/70/91/635087091.db2.gz OSBHVZXWKZEREO-UHFFFAOYSA-N 1 1 290.794 3.424 20 10 CGCDMO CN(C)c1ccc(/C=C/CNC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000841035421 635111410 /nfs/dbraw/zinc/11/14/10/635111410.db2.gz GXGUMGIXXULZDE-OVKVCFKUSA-N 1 1 295.430 3.055 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H](CCF)C1 ZINC000877631279 635122854 /nfs/dbraw/zinc/12/28/54/635122854.db2.gz OKOTULLQSOTSJH-CYBMUJFWSA-N 1 1 251.345 3.272 20 10 CGCDMO COCc1ccc(C[N@H+]2Cc3cccc(O)c3C2)cc1 ZINC000877703019 635153961 /nfs/dbraw/zinc/15/39/61/635153961.db2.gz OTEZPLGIERWGAY-UHFFFAOYSA-N 1 1 269.344 3.054 20 10 CGCDMO Cc1cccc(C[N@@H+]2Cc3ccccc3NC(=O)[C@H]2C)c1O ZINC000877706009 635157316 /nfs/dbraw/zinc/15/73/16/635157316.db2.gz DFUNDBCBZUQJPM-CYBMUJFWSA-N 1 1 296.370 3.043 20 10 CGCDMO Cc1cccc(C[N@H+]2Cc3ccccc3NC(=O)[C@H]2C)c1O ZINC000877706009 635157318 /nfs/dbraw/zinc/15/73/18/635157318.db2.gz DFUNDBCBZUQJPM-CYBMUJFWSA-N 1 1 296.370 3.043 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877740735 635175046 /nfs/dbraw/zinc/17/50/46/635175046.db2.gz TUXNPMZQXBOZBR-GHMZBOCLSA-N 1 1 283.824 3.231 20 10 CGCDMO CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841744614 635222803 /nfs/dbraw/zinc/22/28/03/635222803.db2.gz JGMKXRJWXRLLHE-STQMWFEESA-N 1 1 296.842 3.428 20 10 CGCDMO Cc1noc(CCC[NH2+][C@@H](C)c2ccc(Cl)cc2O)n1 ZINC000841747400 635223694 /nfs/dbraw/zinc/22/36/94/635223694.db2.gz FTLUARCDJAVWGY-VIFPVBQESA-N 1 1 295.770 3.020 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1ccc(Cl)cc1O ZINC000841754838 635228353 /nfs/dbraw/zinc/22/83/53/635228353.db2.gz MAPKCBJSNPGNFX-GARJFASQSA-N 1 1 271.788 3.103 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1ccc(Cl)cc1O ZINC000841755490 635229999 /nfs/dbraw/zinc/22/99/99/635229999.db2.gz QFPYAVZWLLBHOP-GMXVVIOVSA-N 1 1 283.799 3.247 20 10 CGCDMO C[C@@H]([NH2+]CCc1ccncc1)c1ccc(Cl)cc1O ZINC000841757937 635231376 /nfs/dbraw/zinc/23/13/76/635231376.db2.gz IWOCJTFJUBKCBE-LLVKDONJSA-N 1 1 276.767 3.334 20 10 CGCDMO C[C@H](CCCO)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841757135 635232224 /nfs/dbraw/zinc/23/22/24/635232224.db2.gz MLXGFDWDPGHTIC-GHMZBOCLSA-N 1 1 271.788 3.105 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](c3cccnc3)C2)cc1C ZINC000842622617 635420301 /nfs/dbraw/zinc/42/03/01/635420301.db2.gz RBJMEGJNUFNKTM-MRXNPFEDSA-N 1 1 282.387 3.394 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CCS[C@H]1C)c1ccc(F)cc1O ZINC000842930281 635514666 /nfs/dbraw/zinc/51/46/66/635514666.db2.gz TVZKOAKKOPGULP-XDTLVQLUSA-N 1 1 269.385 3.466 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1C ZINC000121538179 635647726 /nfs/dbraw/zinc/64/77/26/635647726.db2.gz HIYFDOYGQUDYHW-SUMWQHHRSA-N 1 1 299.418 3.289 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2C[C@H](C)OC3(CCCC3)C2)c1 ZINC000843435898 635675741 /nfs/dbraw/zinc/67/57/41/635675741.db2.gz ZQWQSPVYMQZYES-AWEZNQCLSA-N 1 1 275.392 3.234 20 10 CGCDMO CCOc1ccc(C[N@H+]2C[C@H](CC)OC[C@H]2CC)c(O)c1 ZINC000846027784 636132011 /nfs/dbraw/zinc/13/20/11/636132011.db2.gz QVAZJDVLORYSQQ-CABCVRRESA-N 1 1 293.407 3.180 20 10 CGCDMO CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)[C@H]1CCCOC1 ZINC000846052638 636139361 /nfs/dbraw/zinc/13/93/61/636139361.db2.gz PLPWBGVTYOJTTR-YEODSOHDSA-N 1 1 288.435 3.267 20 10 CGCDMO COc1cccc([C@H](C)Nc2cc(C)cc[nH+]2)c1O ZINC000846160194 636151152 /nfs/dbraw/zinc/15/11/52/636151152.db2.gz UKBJAJUTACFMNV-NSHDSACASA-N 1 1 258.321 3.277 20 10 CGCDMO Oc1cccc(Cl)c1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000129712117 636347551 /nfs/dbraw/zinc/34/75/51/636347551.db2.gz LTVBJECESCSAEP-UHFFFAOYSA-N 1 1 281.783 3.191 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCOC2(CCCC2)C1 ZINC000129712117 636347557 /nfs/dbraw/zinc/34/75/57/636347557.db2.gz LTVBJECESCSAEP-UHFFFAOYSA-N 1 1 281.783 3.191 20 10 CGCDMO CCOCC[N@@H+](CC)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000107062167 636425772 /nfs/dbraw/zinc/42/57/72/636425772.db2.gz NTFMSJJHOAJAMJ-UHFFFAOYSA-N 1 1 299.798 3.107 20 10 CGCDMO COCC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccco1 ZINC000883085578 636535842 /nfs/dbraw/zinc/53/58/42/636535842.db2.gz VIGKAWAIKYKENA-CYBMUJFWSA-N 1 1 297.301 3.131 20 10 CGCDMO CCOC[C@H]1CCC[N@@H+](Cc2cccc(CC)c2O)C1 ZINC000848885846 636673325 /nfs/dbraw/zinc/67/33/25/636673325.db2.gz AQFOLIBMGMHIPL-AWEZNQCLSA-N 1 1 277.408 3.203 20 10 CGCDMO CCc1cccc(C[N@H+]2CCc3ccccc3[C@H]2CO)c1O ZINC000848886652 636674585 /nfs/dbraw/zinc/67/45/85/636674585.db2.gz GZOUYDHYLIGKQQ-GOSISDBHSA-N 1 1 297.398 3.046 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c1O ZINC000848919034 636691658 /nfs/dbraw/zinc/69/16/58/636691658.db2.gz QRCZCFUHKCAJLV-CQSZACIVSA-N 1 1 267.319 3.186 20 10 CGCDMO CCc1ccc(NCc2ccc(N3CCOCC3)cc2)[nH+]c1 ZINC000883385443 636727989 /nfs/dbraw/zinc/72/79/89/636727989.db2.gz LSQHAXBYOANYTL-UHFFFAOYSA-N 1 1 297.402 3.093 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1C ZINC000884483077 637041250 /nfs/dbraw/zinc/04/12/50/637041250.db2.gz NCYFWBMKODJSRO-PBHICJAKSA-N 1 1 275.392 3.010 20 10 CGCDMO CCC[N@H+](C)CC(C)(C)NCc1ccc(OCC)cc1O ZINC000850410125 637052570 /nfs/dbraw/zinc/05/25/70/637052570.db2.gz NIPKHIXCQKUJPU-UHFFFAOYSA-N 1 1 294.439 3.001 20 10 CGCDMO CCC[N@@H+](C)CC(C)(C)NCc1ccc(OCC)cc1O ZINC000850410125 637052574 /nfs/dbraw/zinc/05/25/74/637052574.db2.gz NIPKHIXCQKUJPU-UHFFFAOYSA-N 1 1 294.439 3.001 20 10 CGCDMO CCC[N@H+](C)CC(C)(C)NCc1cc(Cl)ccc1O ZINC000850409959 637052831 /nfs/dbraw/zinc/05/28/31/637052831.db2.gz JMBNNRJQRLHUQN-UHFFFAOYSA-N 1 1 284.831 3.256 20 10 CGCDMO CCC[N@@H+](C)CC(C)(C)NCc1cc(Cl)ccc1O ZINC000850409959 637052835 /nfs/dbraw/zinc/05/28/35/637052835.db2.gz JMBNNRJQRLHUQN-UHFFFAOYSA-N 1 1 284.831 3.256 20 10 CGCDMO CCCN1CC[C@H]([NH2+][C@H](CC)c2ccc(F)cc2O)C1 ZINC000850556077 637119910 /nfs/dbraw/zinc/11/99/10/637119910.db2.gz QSQQZGBEWDOLOB-DZGCQCFKSA-N 1 1 280.387 3.056 20 10 CGCDMO CCCN1CC[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2O)C1 ZINC000850556083 637120413 /nfs/dbraw/zinc/12/04/13/637120413.db2.gz QSQQZGBEWDOLOB-ZFWWWQNUSA-N 1 1 280.387 3.056 20 10 CGCDMO C[C@H](CN1CCCCC1)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886501755 637543904 /nfs/dbraw/zinc/54/39/04/637543904.db2.gz XKOAZJGFFAHHKI-CHWSQXEVSA-N 1 1 280.387 3.056 20 10 CGCDMO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1c(O)cccc1F ZINC000886532399 637557493 /nfs/dbraw/zinc/55/74/93/637557493.db2.gz ILCXOLOSIBTRJV-TZCMFKBTSA-N 1 1 293.382 3.386 20 10 CGCDMO Cc1nc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c(C)o1 ZINC000851951182 637558008 /nfs/dbraw/zinc/55/80/08/637558008.db2.gz VSEHMYYNULSVHT-LLVKDONJSA-N 1 1 273.380 3.208 20 10 CGCDMO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2c(O)cccc2F)CCO1 ZINC000886542558 637567857 /nfs/dbraw/zinc/56/78/57/637567857.db2.gz BQYPAMGVMPUGLC-HUBLWGQQSA-N 1 1 281.371 3.386 20 10 CGCDMO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886549117 637575976 /nfs/dbraw/zinc/57/59/76/637575976.db2.gz BTCMDXCWQWMSMN-ZYHUDNBSSA-N 1 1 295.379 3.285 20 10 CGCDMO CC(C)SCC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886609260 637603864 /nfs/dbraw/zinc/60/38/64/637603864.db2.gz PPEZNDRYRYAXBN-JTQLQIEISA-N 1 1 257.374 3.324 20 10 CGCDMO C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1c(O)cccc1F ZINC000886638495 637623028 /nfs/dbraw/zinc/62/30/28/637623028.db2.gz WARDXTGCRQJDCW-PRHODGIISA-N 1 1 259.271 3.227 20 10 CGCDMO COCC(C)(C)CC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886649771 637629546 /nfs/dbraw/zinc/62/95/46/637629546.db2.gz IILDDTNEKCOSNW-NSHDSACASA-N 1 1 269.360 3.245 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CCO)cc1 ZINC000852460100 637654419 /nfs/dbraw/zinc/65/44/19/637654419.db2.gz ANGLHBCHFITHHR-CRAIPNDOSA-N 1 1 290.451 3.126 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cn2c(n1)CCCC2 ZINC000924900707 638422310 /nfs/dbraw/zinc/42/23/10/638422310.db2.gz NXDAGDXMXRQOEK-CYBMUJFWSA-N 1 1 297.402 3.005 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc2ccccc2c1[O-] ZINC000925783289 638612253 /nfs/dbraw/zinc/61/22/53/638612253.db2.gz FBPUSJQYMRBEKX-NFAWXSAZSA-N 1 1 284.403 3.052 20 10 CGCDMO Cc1ncsc1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858129983 638639547 /nfs/dbraw/zinc/63/95/47/638639547.db2.gz TVNPKCOIMJXSEB-UHFFFAOYSA-N 1 1 297.374 3.086 20 10 CGCDMO Cc1c[nH]c(C[NH2+]Cc2cc(C)n(-c3ccccc3)c2C)n1 ZINC000858293904 638674243 /nfs/dbraw/zinc/67/42/43/638674243.db2.gz AEMZTHHFBLVOMT-UHFFFAOYSA-N 1 1 294.402 3.415 20 10 CGCDMO C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccns1 ZINC000858317760 638680288 /nfs/dbraw/zinc/68/02/88/638680288.db2.gz BFRWOSMCPGVVIW-VIFPVBQESA-N 1 1 297.374 3.338 20 10 CGCDMO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)c(O)c1C ZINC000858490087 638741280 /nfs/dbraw/zinc/74/12/80/638741280.db2.gz BAWFSWNVJQZOFA-JKSUJKDBSA-N 1 1 290.451 3.392 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCc3c(O)cccc3C2)cc1 ZINC000859946622 639259066 /nfs/dbraw/zinc/25/90/66/639259066.db2.gz LJMZNZHFUQFAQP-UHFFFAOYSA-N 1 1 282.387 3.017 20 10 CGCDMO Cc1cc(C[NH2+][C@H](c2ncccn2)C2CC2)ccc1N(C)C ZINC000932355036 639320383 /nfs/dbraw/zinc/32/03/83/639320383.db2.gz ADVDMCYRXGQWMB-KRWDZBQOSA-N 1 1 296.418 3.092 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2c(C)noc2C)c1 ZINC000091812827 640723702 /nfs/dbraw/zinc/72/37/02/640723702.db2.gz SNAXVQNFIHAJRZ-UHFFFAOYSA-N 1 1 290.363 3.028 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1cc(Cl)ccc1O ZINC000091956761 640728172 /nfs/dbraw/zinc/72/81/72/640728172.db2.gz NTBDRKNENSDLTD-UHFFFAOYSA-N 1 1 277.751 3.383 20 10 CGCDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2cc(Cl)ccc2O)C1 ZINC000093742158 640780913 /nfs/dbraw/zinc/78/09/13/640780913.db2.gz BGAMIKOESWJECH-CYBMUJFWSA-N 1 1 296.842 3.209 20 10 CGCDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc(Cl)ccc2O)C1 ZINC000093742157 640781798 /nfs/dbraw/zinc/78/17/98/640781798.db2.gz BGAMIKOESWJECH-ZDUSSCGKSA-N 1 1 296.842 3.209 20 10 CGCDMO CCCCC[C@H](O)C[N@@H+](CC)Cc1ccccc1O ZINC001253538606 806241706 /nfs/dbraw/zinc/24/17/06/806241706.db2.gz QXBNDJAVNGDDTJ-HNNXBMFYSA-N 1 1 265.397 3.155 20 10 CGCDMO CCCCC[C@@H](O)C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001253536440 806239388 /nfs/dbraw/zinc/23/93/88/806239388.db2.gz HFHGSIWELRZDTK-QGZVFWFLSA-N 1 1 278.440 3.126 20 10 CGCDMO COc1cc(C[N@@H+](C)[C@@H]2CC[C@@H](SC)C2)c(O)cc1C ZINC001253980999 806325054 /nfs/dbraw/zinc/32/50/54/806325054.db2.gz KOMUHQGLYCEWLH-ZIAGYGMSSA-N 1 1 295.448 3.425 20 10 CGCDMO C[C@@H]1CSCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001254010693 806328401 /nfs/dbraw/zinc/32/84/01/806328401.db2.gz JLPSVJFJRHKCPZ-CQSZACIVSA-N 1 1 276.449 3.224 20 10 CGCDMO CCCC[C@H](C)[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001255332182 806618456 /nfs/dbraw/zinc/61/84/56/806618456.db2.gz KNJDEOTTZRJBCE-LBPRGKRZSA-N 1 1 263.381 3.425 20 10 CGCDMO Nc1ccc(CNc2[nH+]ccc3c4c([nH]c32)CCC4)cc1 ZINC001162790660 806666778 /nfs/dbraw/zinc/66/67/78/806666778.db2.gz VGVDJRMXKCOMMX-UHFFFAOYSA-N 1 1 278.359 3.246 20 10 CGCDMO CCC[C@H](C)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000037328806 798865946 /nfs/dbraw/zinc/86/59/46/798865946.db2.gz DNNWEUMHDKGFAS-JTQLQIEISA-N 1 1 267.344 3.354 20 10 CGCDMO CCC[C@H](C)[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000037328806 798865953 /nfs/dbraw/zinc/86/59/53/798865953.db2.gz DNNWEUMHDKGFAS-JTQLQIEISA-N 1 1 267.344 3.354 20 10 CGCDMO COc1cccc(C[N@H+]2CCCC(C)(C)CC2)c1O ZINC000156037337 799065396 /nfs/dbraw/zinc/06/53/96/799065396.db2.gz QNTIGSFWMWQZQU-UHFFFAOYSA-N 1 1 263.381 3.413 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(C)cc2)c(O)c1 ZINC000179602498 799109774 /nfs/dbraw/zinc/10/97/74/799109774.db2.gz FZZVGDFWLNQXIK-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@H](OC(C)C)C2)c1O ZINC000692113495 799791728 /nfs/dbraw/zinc/79/17/28/799791728.db2.gz DDYSTOYRGVLNBH-MRXNPFEDSA-N 1 1 277.408 3.344 20 10 CGCDMO C[C@H]1CCC[N@H+]1Cc1ccc(Br)cc1O ZINC000700863467 799882235 /nfs/dbraw/zinc/88/22/35/799882235.db2.gz SALHYHPZGQDYLA-VIFPVBQESA-N 1 1 270.170 3.139 20 10 CGCDMO CCOC[C@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708422292 799988272 /nfs/dbraw/zinc/98/82/72/799988272.db2.gz LYNFSKRMEPYIFV-CYBMUJFWSA-N 1 1 285.334 3.061 20 10 CGCDMO CCOC[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000708422292 799988277 /nfs/dbraw/zinc/98/82/77/799988277.db2.gz LYNFSKRMEPYIFV-CYBMUJFWSA-N 1 1 285.334 3.061 20 10 CGCDMO CCOC[C@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000708422292 799988280 /nfs/dbraw/zinc/98/82/80/799988280.db2.gz LYNFSKRMEPYIFV-CYBMUJFWSA-N 1 1 285.334 3.061 20 10 CGCDMO CC(C)[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)C1CC1 ZINC000708516561 799990348 /nfs/dbraw/zinc/99/03/48/799990348.db2.gz JJHXRCBCFLGXGW-CYBMUJFWSA-N 1 1 255.308 3.195 20 10 CGCDMO C[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708548454 799992140 /nfs/dbraw/zinc/99/21/40/799992140.db2.gz FUTLILOKGBVNJR-BXKDBHETSA-N 1 1 255.308 3.339 20 10 CGCDMO C[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708548459 799992182 /nfs/dbraw/zinc/99/21/82/799992182.db2.gz FUTLILOKGBVNJR-JOYOIKCWSA-N 1 1 255.308 3.339 20 10 CGCDMO C[C@H]([NH2+]CC[C@@H]1CCCS1)c1ccc(F)cc1O ZINC000715721420 800144167 /nfs/dbraw/zinc/14/41/67/800144167.db2.gz VNPHQCBCIGQNMO-JQWIXIFHSA-N 1 1 269.385 3.468 20 10 CGCDMO Cc1cncc(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756782214 800380470 /nfs/dbraw/zinc/38/04/70/800380470.db2.gz AFHXQCQTWRPTJW-SNVBAGLBSA-N 1 1 278.302 3.225 20 10 CGCDMO CCOc1ccc(CC[N@@H+](C)Cc2ccc(N)cc2)cc1 ZINC001120269576 802737321 /nfs/dbraw/zinc/73/73/21/802737321.db2.gz ULLRLXMHVNCYDR-UHFFFAOYSA-N 1 1 284.403 3.342 20 10 CGCDMO CC[N@@H+](Cc1cn2c(cccc2C)n1)Cc1ccccc1O ZINC001137301504 803712519 /nfs/dbraw/zinc/71/25/19/803712519.db2.gz NLDCWYNTWKMLAY-UHFFFAOYSA-N 1 1 295.386 3.370 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001137837505 803779309 /nfs/dbraw/zinc/77/93/09/803779309.db2.gz JMOJICPYICSGDN-AWEZNQCLSA-N 1 1 287.334 3.185 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001137837505 803779314 /nfs/dbraw/zinc/77/93/14/803779314.db2.gz JMOJICPYICSGDN-AWEZNQCLSA-N 1 1 287.334 3.185 20 10 CGCDMO CC1(C)CCC2(CC[NH+](Cc3c(O)cccc3F)CC2)O1 ZINC001137839499 803781013 /nfs/dbraw/zinc/78/10/13/803781013.db2.gz AHTUDCOJDMNIMR-UHFFFAOYSA-N 1 1 293.382 3.455 20 10 CGCDMO CC1(C)OCCC12CC[NH+](Cc1c(O)cccc1F)CC2 ZINC001137841607 803781121 /nfs/dbraw/zinc/78/11/21/803781121.db2.gz MDOKWXCVRKEVKY-UHFFFAOYSA-N 1 1 293.382 3.312 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC001137854007 803784710 /nfs/dbraw/zinc/78/47/10/803784710.db2.gz DTRODPBFYOXIQD-IFXJQAMLSA-N 1 1 298.430 3.297 20 10 CGCDMO CCCCOC1C[NH+](Cc2c(C)n(C)c3ccccc32)C1 ZINC001138256875 803881931 /nfs/dbraw/zinc/88/19/31/803881931.db2.gz NVTRAXALMLWOLX-UHFFFAOYSA-N 1 1 286.419 3.488 20 10 CGCDMO Cc1c(C[N@H+]2CCC[C@@H](CO)CC2)c2ccccc2n1C ZINC001138252721 803881962 /nfs/dbraw/zinc/88/19/62/803881962.db2.gz RSTIXIBQMUNROQ-OAHLLOKOSA-N 1 1 286.419 3.081 20 10 CGCDMO Cc1c(C[N@@H+]2Cc3ccncc3C2)c2ccccc2n1C ZINC001138256654 803882166 /nfs/dbraw/zinc/88/21/66/803882166.db2.gz FNNOGZWTUCJVBT-UHFFFAOYSA-N 1 1 277.371 3.398 20 10 CGCDMO Cc1c(C[N@H+]2Cc3ccncc3C2)c2ccccc2n1C ZINC001138256654 803882176 /nfs/dbraw/zinc/88/21/76/803882176.db2.gz FNNOGZWTUCJVBT-UHFFFAOYSA-N 1 1 277.371 3.398 20 10 CGCDMO Cc1c(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)c2ccccc2n1C ZINC001138254088 803882623 /nfs/dbraw/zinc/88/26/23/803882623.db2.gz QKNNUNIVZRBWQW-KDOFPFPSSA-N 1 1 284.403 3.098 20 10 CGCDMO Cc1c(CN2CCC[C@H]3C[N@@H+](C)C[C@@H]32)c2ccccc2n1C ZINC001138257967 803885356 /nfs/dbraw/zinc/88/53/56/803885356.db2.gz FUNCTPDDLNQMNR-KXBFYZLASA-N 1 1 297.446 3.013 20 10 CGCDMO CC[N@@H+](CCC[NH+](C)C)Cc1c2ccccc2n(C)c1C ZINC001138259147 803885599 /nfs/dbraw/zinc/88/55/99/803885599.db2.gz CNPJWDRAMBHFRX-UHFFFAOYSA-N 1 1 287.451 3.260 20 10 CGCDMO CC[N@H+](CCCN(C)C)Cc1c2ccccc2n(C)c1C ZINC001138259147 803885611 /nfs/dbraw/zinc/88/56/11/803885611.db2.gz CNPJWDRAMBHFRX-UHFFFAOYSA-N 1 1 287.451 3.260 20 10 CGCDMO CC[N@@H+](CCCN(C)C)Cc1c2ccccc2n(C)c1C ZINC001138259147 803885621 /nfs/dbraw/zinc/88/56/21/803885621.db2.gz CNPJWDRAMBHFRX-UHFFFAOYSA-N 1 1 287.451 3.260 20 10 CGCDMO CCN(CCC[NH+](C)C)Cc1c2ccccc2n(C)c1C ZINC001138259147 803885627 /nfs/dbraw/zinc/88/56/27/803885627.db2.gz CNPJWDRAMBHFRX-UHFFFAOYSA-N 1 1 287.451 3.260 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2c(C)n(C)c3ccccc32)CC1 ZINC001138258113 803885774 /nfs/dbraw/zinc/88/57/74/803885774.db2.gz LTANZWARWAIRNE-OAHLLOKOSA-N 1 1 286.419 3.488 20 10 CGCDMO Cc1c(CN2CC[C@H]([N@H+](C)C(C)C)C2)c2ccccc2n1C ZINC001138259740 803885794 /nfs/dbraw/zinc/88/57/94/803885794.db2.gz NDWDQUWHYMQHKF-INIZCTEOSA-N 1 1 299.462 3.401 20 10 CGCDMO Cc1c(C[N@H+]2CC[C@H](N(C)C(C)C)C2)c2ccccc2n1C ZINC001138259740 803885804 /nfs/dbraw/zinc/88/58/04/803885804.db2.gz NDWDQUWHYMQHKF-INIZCTEOSA-N 1 1 299.462 3.401 20 10 CGCDMO Cc1c(C[N@@H+]2CC[C@H](N(C)C(C)C)C2)c2ccccc2n1C ZINC001138259740 803885813 /nfs/dbraw/zinc/88/58/13/803885813.db2.gz NDWDQUWHYMQHKF-INIZCTEOSA-N 1 1 299.462 3.401 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCN3C)[C@H](C)C1 ZINC001138360136 803902146 /nfs/dbraw/zinc/90/21/46/803902146.db2.gz NQHRBFXSNJUPNH-PBHICJAKSA-N 1 1 288.435 3.068 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)ccc1N(C)C ZINC001139669662 804245040 /nfs/dbraw/zinc/24/50/40/804245040.db2.gz GDDJTRGONZQMEV-SJLPKXTDSA-N 1 1 288.435 3.062 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@]3(C2)CCCCO3)ccc1N(C)C ZINC001139670365 804248569 /nfs/dbraw/zinc/24/85/69/804248569.db2.gz LJYCRQPRIMSFOP-SFHVURJKSA-N 1 1 288.435 3.206 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1cc(O)ccc1F ZINC001140051742 804359745 /nfs/dbraw/zinc/35/97/45/804359745.db2.gz RDAAWUJRGGZZQT-UHFFFAOYSA-N 1 1 275.323 3.259 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCC[C@@]3(CCOC3)C2)c1O ZINC001140181984 804395904 /nfs/dbraw/zinc/39/59/04/804395904.db2.gz ZDFGEIXRMBVUHK-QGZVFWFLSA-N 1 1 275.392 3.012 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+](CCO)Cc2ccccc2)c1O ZINC001140181559 804397241 /nfs/dbraw/zinc/39/72/41/804397241.db2.gz WYVBTSCRFXWSLS-UHFFFAOYSA-N 1 1 285.387 3.004 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001140339417 804419743 /nfs/dbraw/zinc/41/97/43/804419743.db2.gz UUYFZWWXVYNSJS-NHYWBVRUSA-N 1 1 281.783 3.047 20 10 CGCDMO CO[C@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3O)C[C@@H]21 ZINC001140465116 804442815 /nfs/dbraw/zinc/44/28/15/804442815.db2.gz IMUMUTKHDFMCJG-WPGHFRTFSA-N 1 1 295.810 3.293 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)[C@@H](C)C1 ZINC001140468601 804443053 /nfs/dbraw/zinc/44/30/53/804443053.db2.gz QGULFBUZMXDUMM-GWCFXTLKSA-N 1 1 269.772 3.045 20 10 CGCDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140662120 804487051 /nfs/dbraw/zinc/48/70/51/804487051.db2.gz FYFVGJRGARBOBO-CQSZACIVSA-N 1 1 292.398 3.037 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@]3(CCCO3)C2)c(Cl)c1 ZINC001140922621 804549153 /nfs/dbraw/zinc/54/91/53/804549153.db2.gz WSVPXTHWGJKILA-MRXNPFEDSA-N 1 1 294.826 3.161 20 10 CGCDMO Cc1ccc(C[N@H+](CCN(C)C)Cc2ccccc2)c(O)c1 ZINC001140948262 804556153 /nfs/dbraw/zinc/55/61/53/804556153.db2.gz APWVFNICTWTCMK-UHFFFAOYSA-N 1 1 298.430 3.264 20 10 CGCDMO Cc1ccc(C[N@@H+](CCN(C)C)Cc2ccccc2)c(O)c1 ZINC001140948262 804556157 /nfs/dbraw/zinc/55/61/57/804556157.db2.gz APWVFNICTWTCMK-UHFFFAOYSA-N 1 1 298.430 3.264 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c(O)c1 ZINC001140949866 804556751 /nfs/dbraw/zinc/55/67/51/804556751.db2.gz OAXLKWMUDTUHFI-OAHLLOKOSA-N 1 1 282.387 3.475 20 10 CGCDMO CC[N@@H+](Cc1ccn2ccnc2c1)Cc1ccccc1O ZINC001141046773 804578983 /nfs/dbraw/zinc/57/89/83/804578983.db2.gz OPLRNGMWCAWYDT-UHFFFAOYSA-N 1 1 281.359 3.062 20 10 CGCDMO F[C@@H]1CCC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141075887 804585190 /nfs/dbraw/zinc/58/51/90/804585190.db2.gz FIUPNHBPCVGFKO-QGZVFWFLSA-N 1 1 288.410 3.319 20 10 CGCDMO C[C@]1(F)CCC[N@H+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142509015 804727468 /nfs/dbraw/zinc/72/74/68/804727468.db2.gz TUQAYRKSFVMZPU-AWEZNQCLSA-N 1 1 273.298 3.385 20 10 CGCDMO C[C@]1(F)CCC[N@@H+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142509015 804727472 /nfs/dbraw/zinc/72/74/72/804727472.db2.gz TUQAYRKSFVMZPU-AWEZNQCLSA-N 1 1 273.298 3.385 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCCC(F)(F)CC1 ZINC001142509167 804729274 /nfs/dbraw/zinc/72/92/74/804729274.db2.gz ZHMWGZNQLQVOMA-UHFFFAOYSA-N 1 1 277.261 3.292 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCCC(F)(F)CC1 ZINC001142509167 804729277 /nfs/dbraw/zinc/72/92/77/804729277.db2.gz ZHMWGZNQLQVOMA-UHFFFAOYSA-N 1 1 277.261 3.292 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)CCCO1 ZINC001143104365 804801739 /nfs/dbraw/zinc/80/17/39/804801739.db2.gz SDTUBTFFNDMFCF-ZDUSSCGKSA-N 1 1 277.408 3.301 20 10 CGCDMO C[C@@H]1COCC[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143104611 804801790 /nfs/dbraw/zinc/80/17/90/804801790.db2.gz WDGJNBLNNVJEQT-ZDUSSCGKSA-N 1 1 277.408 3.158 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CCC[C@@H](CO)CC2)c1O ZINC001143104716 804801870 /nfs/dbraw/zinc/80/18/70/804801870.db2.gz YBYOKBWICINCJF-CQSZACIVSA-N 1 1 291.435 3.284 20 10 CGCDMO C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143104005 804802071 /nfs/dbraw/zinc/80/20/71/804802071.db2.gz NZEDGZZFIRCCCV-UONOGXRCSA-N 1 1 291.435 3.283 20 10 CGCDMO CC(C)(C)c1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)c1O ZINC001143111888 804804191 /nfs/dbraw/zinc/80/41/91/804804191.db2.gz HQPURJXTZIHMRN-OKILXGFUSA-N 1 1 287.403 3.101 20 10 CGCDMO Oc1cc(O)c(C[N@@H+](Cc2ccccc2)C2CCC2)c(O)c1 ZINC001144515602 804997926 /nfs/dbraw/zinc/99/79/26/804997926.db2.gz CKEPNDUFUXLZQH-UHFFFAOYSA-N 1 1 299.370 3.358 20 10 CGCDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248879548 805031818 /nfs/dbraw/zinc/03/18/18/805031818.db2.gz BQYBHYPRXXEQSH-ZYHUDNBSSA-N 1 1 297.826 3.298 20 10 CGCDMO C[C@H](Cc1ccco1)[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001258198835 807359564 /nfs/dbraw/zinc/35/95/64/807359564.db2.gz KRWNMVAZNWEYMC-GFCCVEGCSA-N 1 1 287.359 3.070 20 10 CGCDMO CC1(C)CC[C@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001258607875 807505230 /nfs/dbraw/zinc/50/52/30/807505230.db2.gz TWOWEEQCVRVGAX-AWEZNQCLSA-N 1 1 275.392 3.425 20 10 CGCDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(N)cc1 ZINC001262488028 807867370 /nfs/dbraw/zinc/86/73/70/807867370.db2.gz NNCYNUQYOOPZCK-ZDUSSCGKSA-N 1 1 270.376 3.037 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172226904 808203209 /nfs/dbraw/zinc/20/32/09/808203209.db2.gz JQXGKTJBUQWEMG-AYHJJNSGSA-N 1 1 288.435 3.285 20 10 CGCDMO Cc1ccc(Nc2cc[nH+]c3ccccc23)c(O)c1 ZINC001174039207 808838563 /nfs/dbraw/zinc/83/85/63/808838563.db2.gz YVMDIIANKJWQAR-UHFFFAOYSA-N 1 1 250.301 3.414 20 10 CGCDMO CC(C)[C@H]1CC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001180326369 809993335 /nfs/dbraw/zinc/99/33/35/809993335.db2.gz KNCVIRRRAYITIL-FUTAKVPZSA-N 1 1 258.409 3.496 20 10 CGCDMO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001181544686 810059296 /nfs/dbraw/zinc/05/92/96/810059296.db2.gz VWEDHCMPEZICOE-KOLCDFICSA-N 1 1 255.308 3.433 20 10 CGCDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cc(F)c(F)cc1O ZINC001181544686 810059298 /nfs/dbraw/zinc/05/92/98/810059298.db2.gz VWEDHCMPEZICOE-KOLCDFICSA-N 1 1 255.308 3.433 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@H](c3ccccn3)C2)c1O ZINC001203595947 812403987 /nfs/dbraw/zinc/40/39/87/812403987.db2.gz TZHZUGSCSPULKU-AWEZNQCLSA-N 1 1 298.386 3.175 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](C(F)F)C2)c1O ZINC001203609595 812405290 /nfs/dbraw/zinc/40/52/90/812405290.db2.gz ZIIGGLBNXLWUGO-GFCCVEGCSA-N 1 1 285.334 3.268 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)CC[C@@]1(C)O ZINC001203651777 812416137 /nfs/dbraw/zinc/41/61/37/812416137.db2.gz UOYGQOCHHIBVRJ-XHDPSFHLSA-N 1 1 283.799 3.029 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCCC[C@](C)(F)C2)c1 ZINC001203669428 812426111 /nfs/dbraw/zinc/42/61/11/812426111.db2.gz BWNGSWSMUOSOHW-HNNXBMFYSA-N 1 1 267.344 3.115 20 10 CGCDMO CC[N@@H+](Cc1ccc(OC)c(O)c1)Cc1ccccc1O ZINC001203872199 812476351 /nfs/dbraw/zinc/47/63/51/812476351.db2.gz VJQYOGKDALDDBL-UHFFFAOYSA-N 1 1 287.359 3.129 20 10 CGCDMO COc1ccccc1[C@H](C)[N@@H+](C)Cc1ccc(O)c(O)c1 ZINC001203878461 812478990 /nfs/dbraw/zinc/47/89/90/812478990.db2.gz AENRJULDSRSZFO-LBPRGKRZSA-N 1 1 287.359 3.299 20 10 CGCDMO C[C@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)CCC1=O ZINC001204232690 812579977 /nfs/dbraw/zinc/57/99/77/812579977.db2.gz IOQISBRQYJSSLP-AWEZNQCLSA-N 1 1 296.414 3.317 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)CCC1=O ZINC001204232690 812579979 /nfs/dbraw/zinc/57/99/79/812579979.db2.gz IOQISBRQYJSSLP-AWEZNQCLSA-N 1 1 296.414 3.317 20 10 CGCDMO Oc1ccc(C[N@H+]2CCC[C@@H]2c2cccs2)c(O)c1 ZINC001204274518 812592646 /nfs/dbraw/zinc/59/26/46/812592646.db2.gz CUCDVMKCNHVFEI-CYBMUJFWSA-N 1 1 275.373 3.496 20 10 CGCDMO F[C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001204322052 812612976 /nfs/dbraw/zinc/61/29/76/812612976.db2.gz MXXKRXHTTFKUIN-XIRDDKMYSA-N 1 1 274.383 3.219 20 10 CGCDMO C[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@H]1CCCCO1 ZINC001204326945 812614812 /nfs/dbraw/zinc/61/48/12/812614812.db2.gz JOTSZRAVAFBVRP-GOSISDBHSA-N 1 1 288.435 3.288 20 10 CGCDMO CCN1CC[N@@H+](Cc2cc(C(C)C)ccc2O)C[C@H]1C ZINC001204866100 812758621 /nfs/dbraw/zinc/75/86/21/812758621.db2.gz JRGDTCXDRGATGL-CQSZACIVSA-N 1 1 276.424 3.042 20 10 CGCDMO CC[N@@H+]1CCN(Cc2cc(C(C)C)ccc2O)C[C@H]1C ZINC001204866100 812758624 /nfs/dbraw/zinc/75/86/24/812758624.db2.gz JRGDTCXDRGATGL-CQSZACIVSA-N 1 1 276.424 3.042 20 10 CGCDMO CC[N@H+]1CCN(Cc2cc(C(C)C)ccc2O)C[C@H]1C ZINC001204866100 812758631 /nfs/dbraw/zinc/75/86/31/812758631.db2.gz JRGDTCXDRGATGL-CQSZACIVSA-N 1 1 276.424 3.042 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205093757 812858699 /nfs/dbraw/zinc/85/86/99/812858699.db2.gz FUCIILRMTNBRBA-SFHVURJKSA-N 1 1 297.446 3.407 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N)cc2)Cc2ccccc21 ZINC001205164945 812895793 /nfs/dbraw/zinc/89/57/93/812895793.db2.gz XSHZNRSORQOQOF-CYBMUJFWSA-N 1 1 252.361 3.388 20 10 CGCDMO CC[C@@H]1CO[C@H](C)C[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001205178580 812900311 /nfs/dbraw/zinc/90/03/11/812900311.db2.gz XCJIOPMNUNMOGU-IKJDWHLJSA-N 1 1 288.435 3.265 20 10 CGCDMO CC[N@@H+](Cc1ccncc1C)Cc1ccccc1O ZINC001205862416 813112604 /nfs/dbraw/zinc/11/26/04/813112604.db2.gz APFDMRMZQXCMGY-UHFFFAOYSA-N 1 1 256.349 3.118 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001206205918 813240279 /nfs/dbraw/zinc/24/02/79/813240279.db2.gz STVUBZIKJQMPGR-MNOVXSKESA-N 1 1 273.710 3.133 20 10 CGCDMO C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001206327459 813290005 /nfs/dbraw/zinc/29/00/05/813290005.db2.gz WQXGYPAFSAKBKU-LJQANCHMSA-N 1 1 298.430 3.496 20 10 CGCDMO C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001206327459 813290008 /nfs/dbraw/zinc/29/00/08/813290008.db2.gz WQXGYPAFSAKBKU-LJQANCHMSA-N 1 1 298.430 3.496 20 10 CGCDMO CC(C)[N@H+](Cc1c([O-])cccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC001206589409 813365220 /nfs/dbraw/zinc/36/52/20/813365220.db2.gz GTYDCZSZJSVUAR-ZDUSSCGKSA-N 1 1 296.842 3.398 20 10 CGCDMO CC(C)[N@@H+](Cc1c([O-])cccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC001206589409 813365226 /nfs/dbraw/zinc/36/52/26/813365226.db2.gz GTYDCZSZJSVUAR-ZDUSSCGKSA-N 1 1 296.842 3.398 20 10 CGCDMO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1ncccc1F ZINC001207032714 813469724 /nfs/dbraw/zinc/46/97/24/813469724.db2.gz MMSBBPVNYRMOOO-UHFFFAOYSA-N 1 1 299.393 3.453 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1ncccc1F ZINC001207032714 813469728 /nfs/dbraw/zinc/46/97/28/813469728.db2.gz MMSBBPVNYRMOOO-UHFFFAOYSA-N 1 1 299.393 3.453 20 10 CGCDMO C[N@@H+](CCCn1cccn1)Cc1ccc(N2CCCC2)cc1 ZINC001208081349 813690398 /nfs/dbraw/zinc/69/03/98/813690398.db2.gz WPORFLFJLAEBKF-UHFFFAOYSA-N 1 1 298.434 3.005 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2c[nH]c3cnccc23)cc1 ZINC001231519324 818119100 /nfs/dbraw/zinc/11/91/00/818119100.db2.gz COSVFEKEVDFMCR-UHFFFAOYSA-N 1 1 294.402 3.261 20 10 CGCDMO O=C1CC[N@@H+](Cc2c(O)ccc3ccccc32)CC[C@H]1F ZINC001231587933 818129924 /nfs/dbraw/zinc/12/99/24/818129924.db2.gz JNTVPSRNGPXSEW-OAHLLOKOSA-N 1 1 287.334 3.048 20 10 CGCDMO COCC[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1O ZINC001231593237 818131373 /nfs/dbraw/zinc/13/13/73/818131373.db2.gz RSEQUQJGXWPVOP-HNNXBMFYSA-N 1 1 263.381 3.092 20 10 CGCDMO Cc1cccc(C[N@@H+]2CC[C@H](Oc3ccncc3C)C2)c1O ZINC001231595161 818133515 /nfs/dbraw/zinc/13/35/15/818133515.db2.gz PJYVEJLUPKAUFS-INIZCTEOSA-N 1 1 298.386 3.057 20 10 CGCDMO COc1cc(C[N@H+]2Cc3ccccc3C[C@@H]2C)c(O)cc1O ZINC001231636917 818143610 /nfs/dbraw/zinc/14/36/10/818143610.db2.gz AOMSNKZMALQTDI-LBPRGKRZSA-N 1 1 299.370 3.053 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@@]3(C2)CCCCO3)c(O)c1 ZINC001231841896 818186511 /nfs/dbraw/zinc/18/65/11/818186511.db2.gz FYVRUQUSJFVVPA-QGZVFWFLSA-N 1 1 275.392 3.154 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@@H](C)C1 ZINC001231847778 818187497 /nfs/dbraw/zinc/18/74/97/818187497.db2.gz CVZWOWCXXBDPAG-CQSZACIVSA-N 1 1 276.424 3.383 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2cnc(C)nc2)cc1Cl ZINC001231870097 818193768 /nfs/dbraw/zinc/19/37/68/818193768.db2.gz JGFCJSHUOOXXNH-UHFFFAOYSA-N 1 1 291.782 3.084 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](C(C)C)C2)cc1Cl ZINC001231869944 818193874 /nfs/dbraw/zinc/19/38/74/818193874.db2.gz BHGAXQVRVPUVLH-OAHLLOKOSA-N 1 1 283.799 3.211 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@@H](C(C)C)C2)cc1Cl ZINC001231869944 818193878 /nfs/dbraw/zinc/19/38/78/818193878.db2.gz BHGAXQVRVPUVLH-OAHLLOKOSA-N 1 1 283.799 3.211 20 10 CGCDMO O=C1CC[N@H+](Cc2cccc(Cl)c2[O-])[C@H]2CCCC[C@H]12 ZINC001231909837 818210368 /nfs/dbraw/zinc/21/03/68/818210368.db2.gz RHQMSTNVXUFKFF-JSGCOSHPSA-N 1 1 293.794 3.379 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CCCCC23CC3)cc1Cl ZINC001232262842 818298605 /nfs/dbraw/zinc/29/86/05/818298605.db2.gz SPKGUIIVHDWFAY-UHFFFAOYSA-N 1 1 267.756 3.270 20 10 CGCDMO COc1cc(O)c(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)cc1Cl ZINC001232271133 818300194 /nfs/dbraw/zinc/30/01/94/818300194.db2.gz NZAWNJZBPIWYBO-JQWIXIFHSA-N 1 1 299.798 3.054 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)c(O)c1 ZINC001232840386 818453484 /nfs/dbraw/zinc/45/34/84/818453484.db2.gz VZAFTCQHSUKYOE-QGZVFWFLSA-N 1 1 282.387 3.405 20 10 CGCDMO Oc1cc(C[N@H+]2CCC[C@H]2C2CCCCC2)cc(O)c1O ZINC001233016684 818503088 /nfs/dbraw/zinc/50/30/88/818503088.db2.gz JXSFIXJHWVQSLN-AWEZNQCLSA-N 1 1 291.391 3.348 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCCC(=O)CC2)c1 ZINC001233284101 818566017 /nfs/dbraw/zinc/56/60/17/818566017.db2.gz IJEFRFJQVGJGEZ-UHFFFAOYSA-N 1 1 275.392 3.245 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)ccc2O)[C@@H](C)CO1 ZINC001233287093 818567521 /nfs/dbraw/zinc/56/75/21/818567521.db2.gz WGIZJWLMEGRNBJ-QWHCGFSZSA-N 1 1 277.408 3.299 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)ccc2O)CCCO1 ZINC001233284340 818568599 /nfs/dbraw/zinc/56/85/99/818568599.db2.gz QVKWDHQDRFIKPV-ZDUSSCGKSA-N 1 1 277.408 3.301 20 10 CGCDMO CCCOC1C[NH+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233454141 818623837 /nfs/dbraw/zinc/62/38/37/818623837.db2.gz IGCILTWUVZJVFQ-UHFFFAOYSA-N 1 1 289.297 3.022 20 10 CGCDMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(F)(F)F)cc1O ZINC001233452447 818624161 /nfs/dbraw/zinc/62/41/61/818624161.db2.gz XEDFKPHUNKVLDP-TXEJJXNPSA-N 1 1 299.292 3.107 20 10 CGCDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2cc(O)c(O)cc2O)c1 ZINC001233482201 818624695 /nfs/dbraw/zinc/62/46/95/818624695.db2.gz DVQPWKQMILZFMJ-OAHLLOKOSA-N 1 1 299.370 3.449 20 10 CGCDMO CC[N@@H+](Cc1ccc(C(C)(C)C)cc1O)CC(C)(C)O ZINC001235679536 819138642 /nfs/dbraw/zinc/13/86/42/819138642.db2.gz PGMGCRNERRXFFX-UHFFFAOYSA-N 1 1 279.424 3.283 20 10 CGCDMO C[NH2+]C1CCC([N@H+](C)Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC001236215576 819378103 /nfs/dbraw/zinc/37/81/03/819378103.db2.gz PWXQODQXHQJUAM-UHFFFAOYSA-N 1 1 296.842 3.316 20 10 CGCDMO C[NH2+]C1CCC([N@@H+](C)Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC001236215576 819378106 /nfs/dbraw/zinc/37/81/06/819378106.db2.gz PWXQODQXHQJUAM-UHFFFAOYSA-N 1 1 296.842 3.316 20 10 CGCDMO CCc1ccc(C[N@H+]2CC[C@@](C)(F)[C@@H](F)C2)c(O)c1 ZINC001236783900 819593237 /nfs/dbraw/zinc/59/32/37/819593237.db2.gz PNWLEEMILXTQLF-LSDHHAIUSA-N 1 1 269.335 3.227 20 10 CGCDMO CCc1ccc(C[N@@H+](C)Cc2cccc(O)c2)c(O)c1 ZINC001236782562 819593800 /nfs/dbraw/zinc/59/38/00/819593800.db2.gz CPCNKYDUHZRNJO-UHFFFAOYSA-N 1 1 271.360 3.292 20 10 CGCDMO CCc1ccc(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c(O)c1 ZINC001236786833 819595376 /nfs/dbraw/zinc/59/53/76/819595376.db2.gz QFASJFGTQRDWLG-OCCSQVGLSA-N 1 1 281.346 3.432 20 10 CGCDMO COc1cc(C)c(C[N@@H+]2Cc3cccc(OC)c3C2)c(O)c1 ZINC001236820892 819608131 /nfs/dbraw/zinc/60/81/31/819608131.db2.gz OMXYUUUEYASNDZ-UHFFFAOYSA-N 1 1 299.370 3.234 20 10 CGCDMO COc1cc(C)c(C[N@H+]2Cc3cccc(OC)c3C2)c(O)c1 ZINC001236820892 819608134 /nfs/dbraw/zinc/60/81/34/819608134.db2.gz OMXYUUUEYASNDZ-UHFFFAOYSA-N 1 1 299.370 3.234 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2cc3ccccc3cc2O)[C@@H]1CO ZINC001236827142 819609146 /nfs/dbraw/zinc/60/91/46/819609146.db2.gz PWJCHAWADCYVMP-SUMWQHHRSA-N 1 1 285.387 3.138 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@H+]1CCc2ccncc2C1 ZINC001236834017 819613673 /nfs/dbraw/zinc/61/36/73/819613673.db2.gz RUEBJLMLPPLZLU-UHFFFAOYSA-N 1 1 290.366 3.499 20 10 CGCDMO CCN1CC[N@@H+](Cc2cc3ccccc3cc2O)C(C)(C)C1 ZINC001236835114 819615263 /nfs/dbraw/zinc/61/52/63/819615263.db2.gz IQCQUYGARBZZEF-UHFFFAOYSA-N 1 1 298.430 3.462 20 10 CGCDMO CC[N@@H+]1CCN(Cc2cc3ccccc3cc2O)C(C)(C)C1 ZINC001236835114 819615274 /nfs/dbraw/zinc/61/52/74/819615274.db2.gz IQCQUYGARBZZEF-UHFFFAOYSA-N 1 1 298.430 3.462 20 10 CGCDMO CC[N@H+]1CCN(Cc2cc3ccccc3cc2O)C(C)(C)C1 ZINC001236835114 819615277 /nfs/dbraw/zinc/61/52/77/819615277.db2.gz IQCQUYGARBZZEF-UHFFFAOYSA-N 1 1 298.430 3.462 20 10 CGCDMO CC(C)c1ccc(C[N@@H+](C)C2CCN(C)CC2)c(O)c1 ZINC001237046813 819650467 /nfs/dbraw/zinc/65/04/67/819650467.db2.gz GHEAONOSGVKMCR-UHFFFAOYSA-N 1 1 276.424 3.042 20 10 CGCDMO CC(C)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c(O)c1 ZINC001237052367 819652608 /nfs/dbraw/zinc/65/26/08/819652608.db2.gz VQYHSSRTGVXDGH-GASCZTMLSA-N 1 1 273.376 3.212 20 10 CGCDMO Cc1ccn2cc(C[N@H+](C)Cc3c(C)cccc3O)nc2c1 ZINC001237494903 819763822 /nfs/dbraw/zinc/76/38/22/819763822.db2.gz MPPKNYFSCZQEPI-UHFFFAOYSA-N 1 1 295.386 3.289 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCc3ccncc3C2)c1O ZINC001237686870 819806374 /nfs/dbraw/zinc/80/63/74/819806374.db2.gz QZCGVFHDMQFAOC-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCc3ccncc3C2)c1O ZINC001237686870 819806379 /nfs/dbraw/zinc/80/63/79/819806379.db2.gz QZCGVFHDMQFAOC-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO CC1CC([N@H+](C)Cc2cc(F)c(Cl)cc2O)C1 ZINC001237934115 819885427 /nfs/dbraw/zinc/88/54/27/819885427.db2.gz HIKPTRVKJGTSOB-UHFFFAOYSA-N 1 1 257.736 3.415 20 10 CGCDMO CC1CC([N@@H+](C)Cc2cc(F)c(Cl)cc2O)C1 ZINC001237934115 819885440 /nfs/dbraw/zinc/88/54/40/819885440.db2.gz HIKPTRVKJGTSOB-UHFFFAOYSA-N 1 1 257.736 3.415 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[NH+]1C2CCC1CC2 ZINC001237937728 819887344 /nfs/dbraw/zinc/88/73/44/819887344.db2.gz UJEQUSPYDFPHCC-UHFFFAOYSA-N 1 1 255.720 3.312 20 10 CGCDMO Cc1cnc(C[N@@H+](C)Cc2ccccc2O)c(C)c1 ZINC001238436722 819997850 /nfs/dbraw/zinc/99/78/50/819997850.db2.gz AULGSQQFQXYEPX-UHFFFAOYSA-N 1 1 256.349 3.036 20 10 CGCDMO C[C@H]1CCC(C)(C)[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001473544429 937200202 /nfs/dbraw/zinc/20/02/02/937200202.db2.gz WVNMLLPLVYZSNN-HNNXBMFYSA-N 1 1 288.435 3.286 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@H](C)[C@H](C)C2)c(Cl)c1 ZINC001560687314 937234292 /nfs/dbraw/zinc/23/42/92/937234292.db2.gz JWXYEKQUWOAPCZ-PHIMTYICSA-N 1 1 253.773 3.442 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)CC12CC(C)(C1)OC2 ZINC001459552742 937491653 /nfs/dbraw/zinc/49/16/53/937491653.db2.gz CVVZQBSADVWCGM-UHFFFAOYSA-N 1 1 275.392 3.173 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000164531229 932003920 /nfs/dbraw/zinc/00/39/20/932003920.db2.gz NZUBLPJRDSCGQA-ZBFHGGJFSA-N 1 1 275.392 3.010 20 10 CGCDMO COc1ccc(C[N@H+]2Cc3ccccc3C[C@@H]2C)c(O)c1 ZINC000179911368 932015828 /nfs/dbraw/zinc/01/58/28/932015828.db2.gz BWWFJEKZZQXZCD-ZDUSSCGKSA-N 1 1 283.371 3.348 20 10 CGCDMO Cc1cc(O)c(CNC[C@H](CC(C)C)[NH+](C)C)c(Cl)c1 ZINC001461032958 937560729 /nfs/dbraw/zinc/56/07/29/937560729.db2.gz SBKJRCSUJRZRLG-ZDUSSCGKSA-N 1 1 298.858 3.420 20 10 CGCDMO CC[C@@H]1CN(C)CC[N@H+]1Cc1cc(C(C)C)ccc1O ZINC001462272988 937629129 /nfs/dbraw/zinc/62/91/29/937629129.db2.gz PYLZUDORVZAKKS-MRXNPFEDSA-N 1 1 276.424 3.042 20 10 CGCDMO CC[C@@H]1C[N@H+](C)CCN1Cc1cc(C(C)C)ccc1O ZINC001462272988 937629130 /nfs/dbraw/zinc/62/91/30/937629130.db2.gz PYLZUDORVZAKKS-MRXNPFEDSA-N 1 1 276.424 3.042 20 10 CGCDMO CC[C@@H]1C[N@@H+](C)CCN1Cc1cc(C(C)C)ccc1O ZINC001462272988 937629133 /nfs/dbraw/zinc/62/91/33/937629133.db2.gz PYLZUDORVZAKKS-MRXNPFEDSA-N 1 1 276.424 3.042 20 10 CGCDMO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1c(O)cccc1Cl ZINC001308221553 933076094 /nfs/dbraw/zinc/07/60/94/933076094.db2.gz CLDPEDDLFPLUJW-OLZOCXBDSA-N 1 1 296.842 3.256 20 10 CGCDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NCc1c(O)cccc1Cl ZINC001308221553 933076097 /nfs/dbraw/zinc/07/60/97/933076097.db2.gz CLDPEDDLFPLUJW-OLZOCXBDSA-N 1 1 296.842 3.256 20 10 CGCDMO COc1ccc(CNc2ccc3c(c2)[nH+]cn3C)c(F)c1 ZINC001308314889 933093871 /nfs/dbraw/zinc/09/38/71/933093871.db2.gz UQYNSCYOKCEAIT-UHFFFAOYSA-N 1 1 285.322 3.333 20 10 CGCDMO Cc1cc(C[NH2+]Cc2c(O)ccc(Cl)c2F)ccn1 ZINC001308411977 933107784 /nfs/dbraw/zinc/10/77/84/933107784.db2.gz KGQWWRJEHDNFSQ-UHFFFAOYSA-N 1 1 280.730 3.178 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CCOCC12CCCC2 ZINC001308551159 933130375 /nfs/dbraw/zinc/13/03/75/933130375.db2.gz IECCNQFESZUGDC-AWEZNQCLSA-N 1 1 297.345 3.109 20 10 CGCDMO CCC1CCC([N@@H+](CCO)Cc2ccc(C)cc2O)CC1 ZINC001308736011 933167245 /nfs/dbraw/zinc/16/72/45/933167245.db2.gz IHEULRDJQMCHKN-UHFFFAOYSA-N 1 1 291.435 3.464 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC001474746834 934009031 /nfs/dbraw/zinc/00/90/31/934009031.db2.gz GLSJKRKUTCAYMD-PSUYNTKASA-N 1 1 270.420 3.498 20 10 CGCDMO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC001320411274 934045488 /nfs/dbraw/zinc/04/54/88/934045488.db2.gz LDCYTRDFDPVLBH-ZLDLUXBVSA-N 1 1 297.402 3.119 20 10 CGCDMO CC[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@H]1CCOC1 ZINC001320479794 934052758 /nfs/dbraw/zinc/05/27/58/934052758.db2.gz ARWADEVHZCTPOD-QGZVFWFLSA-N 1 1 288.435 3.145 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001325290105 934901225 /nfs/dbraw/zinc/90/12/25/934901225.db2.gz SQLKXNZFDRCSGJ-AEFFLSMTSA-N 1 1 288.435 3.062 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C/C=C/C1CC1 ZINC001327817395 935086247 /nfs/dbraw/zinc/08/62/47/935086247.db2.gz ZAZKABPNXSVSQY-OWOJBTEDSA-N 1 1 255.720 3.241 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@@H](CCF)C2)c(O)cc1C ZINC001328022531 935109785 /nfs/dbraw/zinc/10/97/85/935109785.db2.gz AFNJIISHNQBDOE-ZDUSSCGKSA-N 1 1 281.371 3.281 20 10 CGCDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccc(N)cc3)C2)cc1 ZINC001335284411 936137504 /nfs/dbraw/zinc/13/75/04/936137504.db2.gz BSTIQPQOFGRUGE-INIZCTEOSA-N 1 1 282.387 3.267 20 10 CGCDMO C[C@H]1C[N@H+](Cc2ccc(N)cc2)C[C@@H](c2ccsc2)O1 ZINC001337837578 936293840 /nfs/dbraw/zinc/29/38/40/936293840.db2.gz CSSWODQYULUJKH-LRDDRELGSA-N 1 1 288.416 3.292 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(N)cc2)C[C@@H](c2ccsc2)O1 ZINC001337837578 936293844 /nfs/dbraw/zinc/29/38/44/936293844.db2.gz CSSWODQYULUJKH-LRDDRELGSA-N 1 1 288.416 3.292 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@H](c3ccncn3)C2)c1O ZINC001474379573 937855939 /nfs/dbraw/zinc/85/59/39/937855939.db2.gz XUYAKXGFHRJVJH-HNNXBMFYSA-N 1 1 297.402 3.124 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)[C@H](CO)CC(C)C)cc1Cl ZINC001474504103 937863586 /nfs/dbraw/zinc/86/35/86/937863586.db2.gz ATONVZOZEKLWSB-ZDUSSCGKSA-N 1 1 285.815 3.193 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC001474718656 937876691 /nfs/dbraw/zinc/87/66/91/937876691.db2.gz NTNPHFMEWXQQME-INIZCTEOSA-N 1 1 290.313 3.306 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](CCO)CC(C)(C)C)cc1Cl ZINC001560654363 938268263 /nfs/dbraw/zinc/26/82/63/938268263.db2.gz LQKDTIQTKKSFNA-UHFFFAOYSA-N 1 1 285.815 3.194 20 10 CGCDMO CC[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2O)[C@@H]1C ZINC001560772353 938274971 /nfs/dbraw/zinc/27/49/71/938274971.db2.gz VSWJGAJGXZISEA-VXGBXAGGSA-N 1 1 279.380 3.030 20 10 CGCDMO CCOC(=O)[C@H]1CCC[N@H+]1Cc1cc(C(C)C)ccc1O ZINC001560773513 938275031 /nfs/dbraw/zinc/27/50/31/938275031.db2.gz CTDQYKRXZLFGFA-OAHLLOKOSA-N 1 1 291.391 3.043 20 10 CGCDMO Cc1cc(O)c(CN(C)[C@@H]2CC[N@H+](C(C)C)C2)c(Cl)c1 ZINC001560882997 938281583 /nfs/dbraw/zinc/28/15/83/938281583.db2.gz GMBLQWJLLWLCMG-CYBMUJFWSA-N 1 1 296.842 3.269 20 10 CGCDMO COc1ccc(O)c([C@H](C)NCC[NH+](C(C)C)C(C)C)c1 ZINC000019901088 368777643 /nfs/dbraw/zinc/77/76/43/368777643.db2.gz LMXZKNVRLHLVNF-AWEZNQCLSA-N 1 1 294.439 3.170 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)Cc2ccccc2O)c1 ZINC000091974590 370084218 /nfs/dbraw/zinc/08/42/18/370084218.db2.gz KTHUJNVSPDICJP-UHFFFAOYSA-N 1 1 257.333 3.038 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000092728315 370100440 /nfs/dbraw/zinc/10/04/40/370100440.db2.gz HSYKKFVSHNYCDW-INIZCTEOSA-N 1 1 284.407 3.203 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000092728315 370100444 /nfs/dbraw/zinc/10/04/44/370100444.db2.gz HSYKKFVSHNYCDW-INIZCTEOSA-N 1 1 284.407 3.203 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000093505984 370137462 /nfs/dbraw/zinc/13/74/62/370137462.db2.gz BZOSRLXSFJAAGB-ABAIWWIYSA-N 1 1 281.783 3.047 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1ccc(F)cc1O ZINC000287557642 371673637 /nfs/dbraw/zinc/67/36/37/371673637.db2.gz PZRSJQJZPDOXDM-JMSVASOKSA-N 1 1 281.371 3.245 20 10 CGCDMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H]1CCCCO1 ZINC000293556837 372411884 /nfs/dbraw/zinc/41/18/84/372411884.db2.gz HQXAPLZKCSXXPE-YMTOWFKASA-N 1 1 287.762 3.232 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000293842492 372499593 /nfs/dbraw/zinc/49/95/93/372499593.db2.gz BCUGFOAVVSTGFN-HZPDHXFCSA-N 1 1 293.794 3.189 20 10 CGCDMO CCC1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CCCC1 ZINC000295133660 372694712 /nfs/dbraw/zinc/69/47/12/372694712.db2.gz YLPCIYJHYZLLMF-UHFFFAOYSA-N 1 1 294.351 3.121 20 10 CGCDMO CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180486702 374014453 /nfs/dbraw/zinc/01/44/53/374014453.db2.gz WMVDWTAZAHPVQT-ZDUSSCGKSA-N 1 1 296.842 3.209 20 10 CGCDMO Cc1cccc(C[N@H+](C)Cc2cc(Cl)cn2C)c1O ZINC000180709371 374038058 /nfs/dbraw/zinc/03/80/58/374038058.db2.gz OKZNCFPMQUUWBG-UHFFFAOYSA-N 1 1 278.783 3.325 20 10 CGCDMO Cc1cccc(C[N@H+]2CCS[C@H](C)CC2)c1O ZINC000190684971 375530491 /nfs/dbraw/zinc/53/04/91/375530491.db2.gz WZHAQBGNOFUJIX-GFCCVEGCSA-N 1 1 251.395 3.028 20 10 CGCDMO C[C@@H]([NH2+]Cc1nccn1C)c1ccc(N2CCCCC2)cc1 ZINC000268944597 378159187 /nfs/dbraw/zinc/15/91/87/378159187.db2.gz WDTVVJDYLUYCEN-OAHLLOKOSA-N 1 1 298.434 3.261 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cscn1 ZINC000271106761 378454838 /nfs/dbraw/zinc/45/48/38/378454838.db2.gz GIYSGRASNSNYRW-GFCCVEGCSA-N 1 1 287.432 3.376 20 10 CGCDMO CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC000271040863 378435185 /nfs/dbraw/zinc/43/51/85/378435185.db2.gz MLMALVXAPMWQCP-UHFFFAOYSA-N 1 1 289.467 3.057 20 10 CGCDMO CC(C)N1CCC([N@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC000271040863 378435190 /nfs/dbraw/zinc/43/51/90/378435190.db2.gz MLMALVXAPMWQCP-UHFFFAOYSA-N 1 1 289.467 3.057 20 10 CGCDMO CC(C)N1CCC([N@@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC000271040863 378435195 /nfs/dbraw/zinc/43/51/95/378435195.db2.gz MLMALVXAPMWQCP-UHFFFAOYSA-N 1 1 289.467 3.057 20 10 CGCDMO CC(C)[NH+]1CCC(N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000271040863 378435201 /nfs/dbraw/zinc/43/52/01/378435201.db2.gz MLMALVXAPMWQCP-UHFFFAOYSA-N 1 1 289.467 3.057 20 10 CGCDMO C[N@H+](CCc1cccs1)Cc1cccc(F)c1O ZINC000272230437 378591218 /nfs/dbraw/zinc/59/12/18/378591218.db2.gz DQLGREASXPJZDD-UHFFFAOYSA-N 1 1 265.353 3.267 20 10 CGCDMO C[N@@H+](CCc1cccs1)Cc1cccc(F)c1O ZINC000272230437 378591220 /nfs/dbraw/zinc/59/12/20/378591220.db2.gz DQLGREASXPJZDD-UHFFFAOYSA-N 1 1 265.353 3.267 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000272237537 378592958 /nfs/dbraw/zinc/59/29/58/378592958.db2.gz FTQCZMQBFYSFIZ-UHFFFAOYSA-N 1 1 279.355 3.066 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CCOC2(CCCCC2)C1 ZINC000272237537 378592964 /nfs/dbraw/zinc/59/29/64/378592964.db2.gz FTQCZMQBFYSFIZ-UHFFFAOYSA-N 1 1 279.355 3.066 20 10 CGCDMO C[C@@H](c1ccncc1)[N@H+](C)Cc1cccc(F)c1O ZINC000273426471 378745627 /nfs/dbraw/zinc/74/56/27/378745627.db2.gz RZDUYXCMTKYWCR-NSHDSACASA-N 1 1 260.312 3.119 20 10 CGCDMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cccc(F)c1O ZINC000273426471 378745634 /nfs/dbraw/zinc/74/56/34/378745634.db2.gz RZDUYXCMTKYWCR-NSHDSACASA-N 1 1 260.312 3.119 20 10 CGCDMO CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2O)CCO1 ZINC000273459233 378748892 /nfs/dbraw/zinc/74/88/92/378748892.db2.gz HSHYXEIULNGATC-NORZTCDRSA-N 1 1 281.371 3.386 20 10 CGCDMO Cc1cccc(C[N@H+]2CCCC3(CCOCC3)C2)c1O ZINC000373227138 379245866 /nfs/dbraw/zinc/24/58/66/379245866.db2.gz IQWDREXYCYZLKS-UHFFFAOYSA-N 1 1 275.392 3.093 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCCO1 ZINC000281111649 379817786 /nfs/dbraw/zinc/81/77/86/379817786.db2.gz BHTWSSDKEXZSRU-LLVKDONJSA-N 1 1 269.772 3.047 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])[C@H](C)C1 ZINC000282300143 379892850 /nfs/dbraw/zinc/89/28/50/379892850.db2.gz MFYGJRQFZLVFSO-PWSUYJOCSA-N 1 1 269.772 3.045 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])[C@@H](C)C1 ZINC000282300141 379892947 /nfs/dbraw/zinc/89/29/47/379892947.db2.gz MFYGJRQFZLVFSO-JQWIXIFHSA-N 1 1 269.772 3.045 20 10 CGCDMO CC[C@H]([NH2+]CCCCCCO)c1ccc(F)cc1O ZINC000286327408 380197151 /nfs/dbraw/zinc/19/71/51/380197151.db2.gz YFZFWCLCKILPAQ-AWEZNQCLSA-N 1 1 269.360 3.125 20 10 CGCDMO COc1cccc(C[N@@H+](C)[C@@H](C)c2cccc(O)c2)c1O ZINC000093315916 392237261 /nfs/dbraw/zinc/23/72/61/392237261.db2.gz FTZTVLWUPBVRFS-LBPRGKRZSA-N 1 1 287.359 3.299 20 10 CGCDMO CCCOc1ccc(C[N@H+]2CC[C@@H](OC)C[C@H]2C)c(O)c1 ZINC000282206886 392284306 /nfs/dbraw/zinc/28/43/06/392284306.db2.gz HDKRDBSTLNTTQX-UKRRQHHQSA-N 1 1 293.407 3.180 20 10 CGCDMO CCSCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000119487010 392396675 /nfs/dbraw/zinc/39/66/75/392396675.db2.gz AHUWJBMNRULEDZ-HNNXBMFYSA-N 1 1 295.448 3.126 20 10 CGCDMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000178416824 392678569 /nfs/dbraw/zinc/67/85/69/392678569.db2.gz VEXWFXJADGPAQI-AWEZNQCLSA-N 1 1 269.392 3.341 20 10 CGCDMO Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185346441 262051983 /nfs/dbraw/zinc/05/19/83/262051983.db2.gz LDTOEPFYCKRJQF-NWDGAFQWSA-N 1 1 291.370 3.023 20 10 CGCDMO C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccc(F)cc1O ZINC000185518671 262058116 /nfs/dbraw/zinc/05/81/16/262058116.db2.gz RAGURGDMYAZTQS-ZUZCIYMTSA-N 1 1 295.379 3.151 20 10 CGCDMO CO[C@](C)(C[NH2+]Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000293950563 294768846 /nfs/dbraw/zinc/76/88/46/294768846.db2.gz PBKPDCKWCCVOBL-CQSZACIVSA-N 1 1 287.762 3.089 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000378631400 329057168 /nfs/dbraw/zinc/05/71/68/329057168.db2.gz GYYMLDIINPQRDU-CYBMUJFWSA-N 1 1 269.772 3.047 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1ccc(F)cc1O ZINC000528004383 330300330 /nfs/dbraw/zinc/30/03/30/330300330.db2.gz FXXCSRZPUNJRHF-NHTBEBDUSA-N 1 1 281.371 3.384 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)CSC)c1ccc(F)cc1O ZINC000286244551 522691737 /nfs/dbraw/zinc/69/17/37/522691737.db2.gz UDGJANDYXQSIEG-CABZTGNLSA-N 1 1 257.374 3.324 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)CCC2CCOCC2)cc1 ZINC000129612364 522719778 /nfs/dbraw/zinc/71/97/78/522719778.db2.gz KIFQAAXDUBODBF-UHFFFAOYSA-N 1 1 276.424 3.001 20 10 CGCDMO Cc1cccc(C[NH2+]C2CCN(C(C)(C)C)CC2)c1O ZINC000158111790 524430892 /nfs/dbraw/zinc/43/08/92/524430892.db2.gz YOPGZOUKZKRAQJ-UHFFFAOYSA-N 1 1 276.424 3.053 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)c1 ZINC000366554473 524737169 /nfs/dbraw/zinc/73/71/69/524737169.db2.gz LVBPZPDRJNAPBT-KRWDZBQOSA-N 1 1 298.386 3.379 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCSC(C)(C)C2)c1 ZINC000093504624 525341903 /nfs/dbraw/zinc/34/19/03/525341903.db2.gz XTADHSLDOUOUAN-UHFFFAOYSA-N 1 1 251.395 3.028 20 10 CGCDMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1ccccn1 ZINC000062745005 525660779 /nfs/dbraw/zinc/66/07/79/525660779.db2.gz NLMPAYNEDFIOKZ-GHMZBOCLSA-N 1 1 260.312 3.338 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC3CCC2CC3)c1O ZINC000378383575 527208864 /nfs/dbraw/zinc/20/88/64/527208864.db2.gz KGZBYHJVTCCPSX-UHFFFAOYSA-N 1 1 277.339 3.108 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC3CCC2CC3)c1O ZINC000378383575 527208867 /nfs/dbraw/zinc/20/88/67/527208867.db2.gz KGZBYHJVTCCPSX-UHFFFAOYSA-N 1 1 277.339 3.108 20 10 CGCDMO Cc1ncc(C[NH2+]Cc2cc(Cl)c(F)cc2O)s1 ZINC000293542484 527272398 /nfs/dbraw/zinc/27/23/98/527272398.db2.gz GDVTUMARMHZQGD-UHFFFAOYSA-N 1 1 286.759 3.239 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)Cc2ccon2)cc1C(C)C ZINC000739886015 572425845 /nfs/dbraw/zinc/42/58/45/572425845.db2.gz UTDHOHPBMJTBAJ-UHFFFAOYSA-N 1 1 274.364 3.444 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2ccon2)cc1C(C)C ZINC000739886015 572425847 /nfs/dbraw/zinc/42/58/47/572425847.db2.gz UTDHOHPBMJTBAJ-UHFFFAOYSA-N 1 1 274.364 3.444 20 10 CGCDMO CCOCCC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000741805295 572531484 /nfs/dbraw/zinc/53/14/84/572531484.db2.gz LYRSCHOSUVPVHH-UHFFFAOYSA-N 1 1 276.424 3.144 20 10 CGCDMO COc1ccc(N2CCC[N@@H+](CCC3CC3)CC2)cc1 ZINC000743843533 572688256 /nfs/dbraw/zinc/68/82/56/572688256.db2.gz WBTJULTWODLTFL-UHFFFAOYSA-N 1 1 274.408 3.007 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@@H]2CC)c1O ZINC000187576023 618110519 /nfs/dbraw/zinc/11/05/19/618110519.db2.gz TYPWITSBVAQUCT-OCCSQVGLSA-N 1 1 263.381 3.411 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cnn(C3CCC3)c2)cc1 ZINC000891396713 618184801 /nfs/dbraw/zinc/18/48/01/618184801.db2.gz CPWSJFXFKQKDRY-UHFFFAOYSA-N 1 1 298.434 3.306 20 10 CGCDMO C[N@@H+](Cc1cc(F)c(F)c(F)c1)Cc1ccccc1O ZINC000120053546 618611331 /nfs/dbraw/zinc/61/13/31/618611331.db2.gz FJUDBPFHWQRUSO-UHFFFAOYSA-N 1 1 281.277 3.442 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(N(C)C)cc1 ZINC000158180332 618619412 /nfs/dbraw/zinc/61/94/12/618619412.db2.gz LHADGTQBCDQMAF-CRAIPNDOSA-N 1 1 289.467 3.135 20 10 CGCDMO CSCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000176795287 618726411 /nfs/dbraw/zinc/72/64/11/618726411.db2.gz SZIGFYKMCJIQRU-UHFFFAOYSA-N 1 1 277.389 3.350 20 10 CGCDMO CCC[C@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000179325985 618776082 /nfs/dbraw/zinc/77/60/82/618776082.db2.gz YLFJSWHXEWHRCT-HNNXBMFYSA-N 1 1 276.424 3.144 20 10 CGCDMO C[C@@H]([NH2+]C1CCSCC1)c1ccc(F)cc1O ZINC000168830994 618914204 /nfs/dbraw/zinc/91/42/04/618914204.db2.gz VAILQZKVDRZGMY-SECBINFHSA-N 1 1 255.358 3.078 20 10 CGCDMO CCOC[C@H]1CCCC[N@H+]1Cc1cccc(C)c1O ZINC000313467440 619173852 /nfs/dbraw/zinc/17/38/52/619173852.db2.gz HDNIBRAJMJBWDZ-OAHLLOKOSA-N 1 1 263.381 3.092 20 10 CGCDMO Cc1cnn([C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3C)C2)c1 ZINC000840947466 619248813 /nfs/dbraw/zinc/24/88/13/619248813.db2.gz JWIVTDZQFPFBEA-GOSISDBHSA-N 1 1 298.434 3.013 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)[C@H](C)c2ccco2)c1O ZINC000893930573 619335148 /nfs/dbraw/zinc/33/51/48/619335148.db2.gz DAXRIABMCULPLE-GFCCVEGCSA-N 1 1 275.348 3.495 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)[C@@H](C)c2ccncc2)c1O ZINC000894450377 619543079 /nfs/dbraw/zinc/54/30/79/619543079.db2.gz ZXLZDLYRXNGBLB-ZDUSSCGKSA-N 1 1 286.375 3.297 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H]2c2ccncc2)c1O ZINC000894764914 619629988 /nfs/dbraw/zinc/62/99/88/619629988.db2.gz XDQHDKVBXAIAAT-INIZCTEOSA-N 1 1 298.386 3.441 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@@H](C2CC2)O1 ZINC000793220115 619706268 /nfs/dbraw/zinc/70/62/68/619706268.db2.gz RATWOMGDYVSWBN-BONVTDFDSA-N 1 1 281.783 3.045 20 10 CGCDMO [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000895075069 619713301 /nfs/dbraw/zinc/71/33/01/619713301.db2.gz HJYCOSHJVWZYAB-LBPRGKRZSA-N 1 1 290.313 3.055 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000895075069 619713312 /nfs/dbraw/zinc/71/33/12/619713312.db2.gz HJYCOSHJVWZYAB-LBPRGKRZSA-N 1 1 290.313 3.055 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000895075069 619713316 /nfs/dbraw/zinc/71/33/16/619713316.db2.gz HJYCOSHJVWZYAB-LBPRGKRZSA-N 1 1 290.313 3.055 20 10 CGCDMO COc1ccc(C[N@@H+](C)CCC(C)(C)C)c(O)c1OC ZINC000895107885 619732522 /nfs/dbraw/zinc/73/25/22/619732522.db2.gz QHTDMTHQQSOXLV-UHFFFAOYSA-N 1 1 281.396 3.277 20 10 CGCDMO Cn1cc(C[N@@H+]2Cc3cccc(O)c3C2)c(C2CCCC2)n1 ZINC000895783724 619885055 /nfs/dbraw/zinc/88/50/55/619885055.db2.gz BGNANKOYYRBFEL-UHFFFAOYSA-N 1 1 297.402 3.299 20 10 CGCDMO Cn1cc(C[N@H+]2Cc3cccc(O)c3C2)c(C2CCCC2)n1 ZINC000895783724 619885057 /nfs/dbraw/zinc/88/50/57/619885057.db2.gz BGNANKOYYRBFEL-UHFFFAOYSA-N 1 1 297.402 3.299 20 10 CGCDMO C[C@H](Cc1ccsc1)[NH2+]Cc1c(O)cccc1F ZINC000896636739 620041139 /nfs/dbraw/zinc/04/11/39/620041139.db2.gz GOQDDTKTDZZCDB-SNVBAGLBSA-N 1 1 265.353 3.314 20 10 CGCDMO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2F)CS1 ZINC000896638641 620041726 /nfs/dbraw/zinc/04/17/26/620041726.db2.gz WZIRGFSRNBVHRT-YGRLFVJLSA-N 1 1 269.385 3.151 20 10 CGCDMO Cc1cc(C)cc(C[NH2+]Cc2c(O)cccc2F)c1 ZINC000896640639 620041810 /nfs/dbraw/zinc/04/18/10/620041810.db2.gz KNHNPTSBUAWRFE-UHFFFAOYSA-N 1 1 259.324 3.438 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)CN(CC)CC)c1ccc(F)cc1O ZINC000796750471 620142888 /nfs/dbraw/zinc/14/28/88/620142888.db2.gz ZEEVZYAOMSSVBG-WFASDCNBSA-N 1 1 282.403 3.302 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+]2CC(C)=C[C@@H](C)C2)c1O ZINC000797605275 620220295 /nfs/dbraw/zinc/22/02/95/620220295.db2.gz OQYUKACNFHRCEO-SNVBAGLBSA-N 1 1 281.783 3.452 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(Cl)cc1O ZINC000841749032 620369394 /nfs/dbraw/zinc/36/93/94/620369394.db2.gz BFIDZRJNSALYPO-NQBHXWOUSA-N 1 1 283.799 3.247 20 10 CGCDMO CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c(O)c1 ZINC000898071048 620477102 /nfs/dbraw/zinc/47/71/02/620477102.db2.gz KLJAFAZNVNVISO-BETUJISGSA-N 1 1 261.365 3.023 20 10 CGCDMO COC[C@@H](C[NH2+][C@@H](C)c1c(O)cccc1F)C(C)C ZINC000927096380 620574469 /nfs/dbraw/zinc/57/44/69/620574469.db2.gz WQKZYPDARCKOAG-NWDGAFQWSA-N 1 1 269.360 3.101 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000898512160 620593828 /nfs/dbraw/zinc/59/38/28/620593828.db2.gz IINYIGTWHHMGBR-CVEARBPZSA-N 1 1 289.419 3.339 20 10 CGCDMO C[C@H]([NH2+]CC1(C2(O)CCC2)CC1)c1cc(F)cc(F)c1O ZINC000903258241 621644866 /nfs/dbraw/zinc/64/48/66/621644866.db2.gz TWBJFFYGVWSTCV-JTQLQIEISA-N 1 1 297.345 3.016 20 10 CGCDMO C[C@@H]([NH2+][C@@H](CCO)C1CCCC1)c1c(O)cccc1F ZINC000903298843 621666427 /nfs/dbraw/zinc/66/64/27/621666427.db2.gz YEXYAYKELQHVQO-RISCZKNCSA-N 1 1 281.371 3.123 20 10 CGCDMO C[C@H]([NH2+][C@@H](c1ncccn1)C1CC1)c1cc(F)ccc1O ZINC000903327752 621701544 /nfs/dbraw/zinc/70/15/44/621701544.db2.gz YFOGBQACXZWURW-ZUZCIYMTSA-N 1 1 287.338 3.123 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)C(C)(C)OC)c1ccc(F)cc1O ZINC000903332974 621707036 /nfs/dbraw/zinc/70/70/36/621707036.db2.gz WRHGBNWULQXQSG-GXFFZTMASA-N 1 1 269.360 3.386 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000768262376 625532880 /nfs/dbraw/zinc/53/28/80/625532880.db2.gz JJYDEGSLHNRGSB-QWHCGFSZSA-N 1 1 263.381 3.411 20 10 CGCDMO C[C@H]1OCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)[C@@H]1C ZINC000164202160 622820009 /nfs/dbraw/zinc/82/00/09/622820009.db2.gz OPZQPTKVKAVYKD-VXGBXAGGSA-N 1 1 293.407 3.005 20 10 CGCDMO C[C@H]1OCC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)[C@@H]1C ZINC000164202160 622820013 /nfs/dbraw/zinc/82/00/13/622820013.db2.gz OPZQPTKVKAVYKD-VXGBXAGGSA-N 1 1 293.407 3.005 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c1 ZINC000164539925 622838104 /nfs/dbraw/zinc/83/81/04/622838104.db2.gz ZNYYLVQFOAFTOP-MRXNPFEDSA-N 1 1 299.418 3.252 20 10 CGCDMO C[N@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccccc1O ZINC000171926473 623199798 /nfs/dbraw/zinc/19/97/98/623199798.db2.gz VNYNVVWTSABNLJ-UHFFFAOYSA-N 1 1 295.342 3.074 20 10 CGCDMO C[N@@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccccc1O ZINC000171926473 623199805 /nfs/dbraw/zinc/19/98/05/623199805.db2.gz VNYNVVWTSABNLJ-UHFFFAOYSA-N 1 1 295.342 3.074 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(C)c(C)cc2O)CCS1 ZINC000173510432 623329106 /nfs/dbraw/zinc/32/91/06/623329106.db2.gz SIPIDEOIYBINDT-AWEZNQCLSA-N 1 1 265.422 3.336 20 10 CGCDMO CCC[N@@H+](C)Cc1c(O)ccc2ccc(OC)cc21 ZINC000063730674 623350853 /nfs/dbraw/zinc/35/08/53/623350853.db2.gz TZQCWARIGRUWQF-UHFFFAOYSA-N 1 1 259.349 3.396 20 10 CGCDMO C[C@@H]([NH2+]CCOCC1CCCC1)c1ccc(F)cc1O ZINC000313249266 623638173 /nfs/dbraw/zinc/63/81/73/623638173.db2.gz DVZQXGNTCCHBPK-GFCCVEGCSA-N 1 1 281.371 3.389 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)c1 ZINC000180672720 624765890 /nfs/dbraw/zinc/76/58/90/624765890.db2.gz LFAKTAUXUDXLKU-WBVHZDCISA-N 1 1 293.407 3.036 20 10 CGCDMO CC(=O)c1cc(F)cc(C[NH+]2C[C@H](C)S[C@@H](C)C2)c1O ZINC000070384276 625002387 /nfs/dbraw/zinc/00/23/87/625002387.db2.gz GTUWJBWVJLJQAT-UWVGGRQHSA-N 1 1 297.395 3.060 20 10 CGCDMO CCC[C@H](C)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000756340695 625875176 /nfs/dbraw/zinc/87/51/76/625875176.db2.gz LILBMFYLUVDCEL-QWRGUYRKSA-N 1 1 265.353 3.018 20 10 CGCDMO COc1ccc(C[NH2+][C@@H](c2ncccn2)C2CC2)cc1C ZINC000922581804 626015857 /nfs/dbraw/zinc/01/58/57/626015857.db2.gz VYNCFCDVNJGYAJ-MRXNPFEDSA-N 1 1 283.375 3.035 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000839190173 626328079 /nfs/dbraw/zinc/32/80/79/626328079.db2.gz DLQZRGBLDHHDLJ-VDDIYKPWSA-N 1 1 269.747 3.463 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCCS1)c1c(O)cccc1F ZINC000886539324 626362130 /nfs/dbraw/zinc/36/21/30/626362130.db2.gz XYVRUSXEMUSNLU-NXEZZACHSA-N 1 1 255.358 3.078 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CC(C)(C)OC[C@@H]2C)c1O ZINC000754155419 626561268 /nfs/dbraw/zinc/56/12/68/626561268.db2.gz HGWOKYSFHIHTPM-NSHDSACASA-N 1 1 283.799 3.353 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)c1O ZINC000754155419 626561270 /nfs/dbraw/zinc/56/12/70/626561270.db2.gz HGWOKYSFHIHTPM-NSHDSACASA-N 1 1 283.799 3.353 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H]2C(C)C)c1O ZINC000754723426 626584736 /nfs/dbraw/zinc/58/47/36/626584736.db2.gz SDJUPWSTPFPADP-CQSZACIVSA-N 1 1 263.381 3.330 20 10 CGCDMO C[C@@H]([NH2+]CCOc1ccccc1)c1cc(F)cc(F)c1O ZINC000756370441 626697641 /nfs/dbraw/zinc/69/76/41/626697641.db2.gz IPEUNWAJGCLYBD-LLVKDONJSA-N 1 1 293.313 3.400 20 10 CGCDMO CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756398283 626701472 /nfs/dbraw/zinc/70/14/72/626701472.db2.gz UIBCHLMAXKHVFU-LLVKDONJSA-N 1 1 286.366 3.051 20 10 CGCDMO CC[N@H+](CCN[C@H]1C[C@@H](C)c2c1c(O)ccc2F)C(C)C ZINC000756527561 626712388 /nfs/dbraw/zinc/71/23/88/626712388.db2.gz ZVXLZVVTWBKQTC-OCCSQVGLSA-N 1 1 294.414 3.400 20 10 CGCDMO CC[N@@H+](CCN[C@H]1C[C@@H](C)c2c1c(O)ccc2F)C(C)C ZINC000756527561 626712392 /nfs/dbraw/zinc/71/23/92/626712392.db2.gz ZVXLZVVTWBKQTC-OCCSQVGLSA-N 1 1 294.414 3.400 20 10 CGCDMO CC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000756535960 626713173 /nfs/dbraw/zinc/71/31/73/626713173.db2.gz SVIHRCMXHBXLTK-LBPRGKRZSA-N 1 1 296.842 3.428 20 10 CGCDMO CO[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)C(C)(C)C ZINC000756625691 626721503 /nfs/dbraw/zinc/72/15/03/626721503.db2.gz KPHUKIAZFRUUEN-TVQRCGJNSA-N 1 1 287.350 3.382 20 10 CGCDMO Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000756635870 626722784 /nfs/dbraw/zinc/72/27/84/626722784.db2.gz HUQOXVXPHVRKMV-MLGOLLRUSA-N 1 1 289.350 3.224 20 10 CGCDMO COC1CCC(C[NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000756640478 626723238 /nfs/dbraw/zinc/72/32/38/626723238.db2.gz BKHRSRITPUDXOD-DCBWTQNWSA-N 1 1 281.371 3.387 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCCS1)c1cc(F)cc(F)c1O ZINC000756651189 626724636 /nfs/dbraw/zinc/72/46/36/626724636.db2.gz VHXVOKNJCQQEGL-WCBMZHEXSA-N 1 1 273.348 3.217 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)C2CCC2)c1 ZINC000756769806 626730720 /nfs/dbraw/zinc/73/07/20/626730720.db2.gz NRUZVUWJIBRUNM-QWRGUYRKSA-N 1 1 277.364 3.018 20 10 CGCDMO C[N@@H+](Cc1ccccn1)Cc1cc(Cl)ccc1O ZINC000757890026 626812349 /nfs/dbraw/zinc/81/23/49/626812349.db2.gz OGWNBOCAGLWOKG-UHFFFAOYSA-N 1 1 262.740 3.073 20 10 CGCDMO C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)[C@H]1CCSC1 ZINC000125053034 634559984 /nfs/dbraw/zinc/55/99/84/634559984.db2.gz WGZWZNNQJBVQIA-ZDUSSCGKSA-N 1 1 295.448 3.333 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](C3CC3)C2)c1O ZINC000808230564 627385117 /nfs/dbraw/zinc/38/51/17/627385117.db2.gz KZFAURIGKKTBAB-CQSZACIVSA-N 1 1 275.392 3.331 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)[C@H](C)C(C)C)c(O)c1 ZINC000768269326 627471567 /nfs/dbraw/zinc/47/15/67/627471567.db2.gz MRRYISQFYINRMS-GFCCVEGCSA-N 1 1 251.370 3.267 20 10 CGCDMO CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768269492 627471713 /nfs/dbraw/zinc/47/17/13/627471713.db2.gz PNQSTBUPHNMQEU-CQSZACIVSA-N 1 1 294.414 3.139 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000768355338 627475702 /nfs/dbraw/zinc/47/57/02/627475702.db2.gz NKIRLWADOJXCSJ-GOSISDBHSA-N 1 1 281.403 3.485 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@@H]2c2ccccn2)c(O)cc1C ZINC000768441562 627480391 /nfs/dbraw/zinc/48/03/91/627480391.db2.gz DOWCHAXUMZGYFT-MRXNPFEDSA-N 1 1 298.386 3.441 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)CC(C)(C)O1 ZINC000768444467 627480692 /nfs/dbraw/zinc/48/06/92/627480692.db2.gz YKJFYLMJHKCWIH-ZDUSSCGKSA-N 1 1 289.419 3.270 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c(O)cc1C ZINC000768465012 627481225 /nfs/dbraw/zinc/48/12/25/627481225.db2.gz JAJTUVAKTDWWJI-YPMHNXCESA-N 1 1 263.381 3.187 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C[C@H]2CCCOC2)C2CC2)cc1 ZINC000768536699 627485181 /nfs/dbraw/zinc/48/51/81/627485181.db2.gz VQJSETRHADARMH-MRXNPFEDSA-N 1 1 288.435 3.144 20 10 CGCDMO CCOC(=O)C[N@H+](Cc1cc(C)c(C)cc1O)CC(C)C ZINC000768754916 627496393 /nfs/dbraw/zinc/49/63/93/627496393.db2.gz JYRHGHKLDZUEEJ-UHFFFAOYSA-N 1 1 293.407 3.030 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)c1 ZINC000769025610 627518270 /nfs/dbraw/zinc/51/82/70/627518270.db2.gz XOEDOJCGLLSNID-IBGZPJMESA-N 1 1 297.398 3.446 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000769314371 627539903 /nfs/dbraw/zinc/53/99/03/627539903.db2.gz YDJAKTXJYCEJIN-GFCCVEGCSA-N 1 1 291.782 3.079 20 10 CGCDMO CO[C@H](C)C[N@@H+](Cc1cc(C)c(C)cc1O)C(C)C ZINC000769475299 627558009 /nfs/dbraw/zinc/55/80/09/627558009.db2.gz VYKJJUJBFMLOQM-CQSZACIVSA-N 1 1 265.397 3.254 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C[C@H](C)OC)C(C)C)c1 ZINC000769476347 627558447 /nfs/dbraw/zinc/55/84/47/627558447.db2.gz YVLDWRJBZBIZPO-ZDUSSCGKSA-N 1 1 281.396 3.036 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC3(C2)CCOCC3)cc1 ZINC000773752440 627910669 /nfs/dbraw/zinc/91/06/69/627910669.db2.gz BJBFZWZXTBYDCH-UHFFFAOYSA-N 1 1 288.435 3.145 20 10 CGCDMO CCN(C)c1ccc(CN2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000773887543 627925475 /nfs/dbraw/zinc/92/54/75/627925475.db2.gz FVZUAKZOPCREFI-KRWDZBQOSA-N 1 1 289.467 3.059 20 10 CGCDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(N(C)CC)cc1 ZINC000773894297 627926365 /nfs/dbraw/zinc/92/63/65/627926365.db2.gz IZILXQBWRUFEDR-SFHVURJKSA-N 1 1 290.451 3.270 20 10 CGCDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1cc(C)ccc1O ZINC000775205222 628071677 /nfs/dbraw/zinc/07/16/77/628071677.db2.gz REUWKBRPEOVJEF-KRWDZBQOSA-N 1 1 277.408 3.482 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000775651312 628120087 /nfs/dbraw/zinc/12/00/87/628120087.db2.gz MKPUDNQETRORIZ-INIZCTEOSA-N 1 1 284.359 3.133 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](Cc2ccccn2)C(C)C)c1 ZINC000775657962 628120883 /nfs/dbraw/zinc/12/08/83/628120883.db2.gz IWFGOWWMJGDCMD-UHFFFAOYSA-N 1 1 286.375 3.206 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2C[C@H](C)CCC[C@H]2C)c1 ZINC000775710011 628128726 /nfs/dbraw/zinc/12/87/26/628128726.db2.gz ZVKQBWLNKOXGDN-CHWSQXEVSA-N 1 1 263.381 3.411 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H]2CC)c(O)c1 ZINC000775997559 628156541 /nfs/dbraw/zinc/15/65/41/628156541.db2.gz BEHIRCIVPCVMBX-IUODEOHRSA-N 1 1 263.381 3.411 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](C)[C@H]2CC)c1 ZINC000776000499 628156938 /nfs/dbraw/zinc/15/69/38/628156938.db2.gz LKRTVXRCXWCOLI-SWLSCSKDSA-N 1 1 263.381 3.411 20 10 CGCDMO CC(C)[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000777969855 628317263 /nfs/dbraw/zinc/31/72/63/628317263.db2.gz UPFCLBBBUKUPIQ-GOSISDBHSA-N 1 1 285.387 3.402 20 10 CGCDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)ccc2O)C1(C)C ZINC000779027309 628383845 /nfs/dbraw/zinc/38/38/45/628383845.db2.gz QNBVRGMDAHESFP-CABCVRRESA-N 1 1 281.371 3.167 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCCSCC2)cc1 ZINC000780893814 628522710 /nfs/dbraw/zinc/52/27/10/628522710.db2.gz TZEAKAFVTXAURI-UHFFFAOYSA-N 1 1 278.465 3.472 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)c1 ZINC000781929924 628606393 /nfs/dbraw/zinc/60/63/93/628606393.db2.gz TVXAPYKKSVXKHA-DYVFJYSZSA-N 1 1 275.392 3.413 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)[C@H](C)[C@H](C)O1 ZINC000783537714 628723010 /nfs/dbraw/zinc/72/30/10/628723010.db2.gz BZUZGKUUEIKAGT-MCIONIFRSA-N 1 1 289.419 3.269 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2Cc3ccccc3OC[C@H]2C)c1 ZINC000783598822 628730262 /nfs/dbraw/zinc/73/02/62/628730262.db2.gz ZFFLBDJSKYBKFZ-CYBMUJFWSA-N 1 1 299.370 3.184 20 10 CGCDMO C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C1(C)CC1 ZINC000790962499 629243047 /nfs/dbraw/zinc/24/30/47/629243047.db2.gz NLDMUIOTPKPNDH-MRVPVSSYSA-N 1 1 257.736 3.463 20 10 CGCDMO C[C@@H]1CCC[N@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862243014 629330455 /nfs/dbraw/zinc/33/04/55/629330455.db2.gz WEXWPRCYURZVBD-SNVBAGLBSA-N 1 1 254.324 3.015 20 10 CGCDMO CC[N@@H+](Cc1c(O)ccc(Cl)c1F)C[C@@H]1CCOC1 ZINC000792163014 629342126 /nfs/dbraw/zinc/34/21/26/629342126.db2.gz UZELSNYJGFDJCP-JTQLQIEISA-N 1 1 287.762 3.043 20 10 CGCDMO CC[N@H+](Cc1c(O)ccc(Cl)c1F)C[C@@H]1CCOC1 ZINC000792163014 629342129 /nfs/dbraw/zinc/34/21/29/629342129.db2.gz UZELSNYJGFDJCP-JTQLQIEISA-N 1 1 287.762 3.043 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)cc1 ZINC000862540382 629396160 /nfs/dbraw/zinc/39/61/60/629396160.db2.gz DRTDOQWDPAUFJM-KRWDZBQOSA-N 1 1 296.414 3.448 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c(O)cc1C ZINC000863294395 629525939 /nfs/dbraw/zinc/52/59/39/629525939.db2.gz BDDWFBSZTRKLGV-KGLIPLIRSA-N 1 1 293.432 3.179 20 10 CGCDMO COc1ccc(C(=O)CC[N@@H+](C)Cc2ccccc2O)cc1 ZINC000795956567 629730100 /nfs/dbraw/zinc/73/01/00/629730100.db2.gz PFQJIDVZTPISTC-UHFFFAOYSA-N 1 1 299.370 3.106 20 10 CGCDMO CC[C@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc(F)cc1O ZINC000796696079 629816159 /nfs/dbraw/zinc/81/61/59/629816159.db2.gz RXKZHPIVPRFXDB-BBRMVZONSA-N 1 1 294.414 3.446 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CCCS1)c1ccc(F)cc1O ZINC000796792615 629835105 /nfs/dbraw/zinc/83/51/05/629835105.db2.gz JYQZVKAGZNXFSS-AAEUAGOBSA-N 1 1 269.385 3.468 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(F)cc1O ZINC000796952227 629864338 /nfs/dbraw/zinc/86/43/38/629864338.db2.gz XRQVKAQNIJPUFR-TZMCWYRMSA-N 1 1 265.328 3.265 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(F)cc1O ZINC000796952220 629864378 /nfs/dbraw/zinc/86/43/78/629864378.db2.gz XRQVKAQNIJPUFR-GXTWGEPZSA-N 1 1 265.328 3.265 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(F)cc1O ZINC000796952225 629864608 /nfs/dbraw/zinc/86/46/08/629864608.db2.gz XRQVKAQNIJPUFR-OCCSQVGLSA-N 1 1 265.328 3.265 20 10 CGCDMO C[C@@H]([NH2+]C[C@H](CO)CC1CCCC1)c1ccc(F)cc1O ZINC000798936576 630127680 /nfs/dbraw/zinc/12/76/80/630127680.db2.gz BUPBKHFDDZMZGU-TZMCWYRMSA-N 1 1 295.398 3.371 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCOC1 ZINC000801597456 630346539 /nfs/dbraw/zinc/34/65/39/630346539.db2.gz HMQFGQYPCGBSGB-HNNXBMFYSA-N 1 1 277.408 3.421 20 10 CGCDMO CCc1nc(N[C@@H](C)c2cc(OC)ccc2O)cc(C)[nH+]1 ZINC000804430858 630526873 /nfs/dbraw/zinc/52/68/73/630526873.db2.gz GFLIFOKCTUMJDN-NSHDSACASA-N 1 1 287.363 3.235 20 10 CGCDMO CS[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000840114363 630598599 /nfs/dbraw/zinc/59/85/99/630598599.db2.gz RFPVUAIZOHHRDT-HNNXBMFYSA-N 1 1 277.433 3.208 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](C3CC3)C2)cc1 ZINC000808776438 630676980 /nfs/dbraw/zinc/67/69/80/630676980.db2.gz HDWZVBKSBXAFOS-MRXNPFEDSA-N 1 1 258.409 3.375 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](CCN(C)C)Cc2ccccc2)c1 ZINC000809728165 630793948 /nfs/dbraw/zinc/79/39/48/630793948.db2.gz NMDNRWFCPDWPED-UHFFFAOYSA-N 1 1 298.430 3.264 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](CCN(C)C)Cc2ccccc2)c1 ZINC000809728165 630793954 /nfs/dbraw/zinc/79/39/54/630793954.db2.gz NMDNRWFCPDWPED-UHFFFAOYSA-N 1 1 298.430 3.264 20 10 CGCDMO C[N@@H+](Cc1ccc(O)cc1)Cc1cc(Cl)ccc1O ZINC000809753377 630800621 /nfs/dbraw/zinc/80/06/21/630800621.db2.gz GVRLLHBACJYXAC-UHFFFAOYSA-N 1 1 277.751 3.383 20 10 CGCDMO CCC[N@H+](CC)C[C@H](C)N[C@@H](C)c1ccc(C)cc1O ZINC000810262049 630862633 /nfs/dbraw/zinc/86/26/33/630862633.db2.gz IUAKAQZYUWNTLT-GJZGRUSLSA-N 1 1 278.440 3.472 20 10 CGCDMO CCC[N@@H+](CC)C[C@H](C)N[C@@H](C)c1ccc(C)cc1O ZINC000810262049 630862637 /nfs/dbraw/zinc/86/26/37/630862637.db2.gz IUAKAQZYUWNTLT-GJZGRUSLSA-N 1 1 278.440 3.472 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CCC1(F)F ZINC000811512906 631080982 /nfs/dbraw/zinc/08/09/82/631080982.db2.gz UCEZQYYRCJLYEG-NSHDSACASA-N 1 1 286.341 3.369 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c1O ZINC000811781092 631119332 /nfs/dbraw/zinc/11/93/32/631119332.db2.gz UNJGMFZKIOJNGY-NSHDSACASA-N 1 1 285.334 3.186 20 10 CGCDMO CCc1nc(C)c(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)o1 ZINC000813888034 631478035 /nfs/dbraw/zinc/47/80/35/631478035.db2.gz ZOTDHNKEXOHNHO-QMMMGPOBSA-N 1 1 296.317 3.380 20 10 CGCDMO Cc1cc(C[N@H+]2CCn3cccc3[C@@H]2C)ccc1N(C)C ZINC000815011623 631704072 /nfs/dbraw/zinc/70/40/72/631704072.db2.gz UICNPAHPDONERK-HNNXBMFYSA-N 1 1 283.419 3.439 20 10 CGCDMO Cc1cc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)ccc1N(C)C ZINC000815087744 631714252 /nfs/dbraw/zinc/71/42/52/631714252.db2.gz NMSPNIAGZKVPMR-FUHWJXTLSA-N 1 1 290.451 3.044 20 10 CGCDMO Cc1cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)ccc1N(C)C ZINC000815099582 631716691 /nfs/dbraw/zinc/71/66/91/631716691.db2.gz LBJCEAVJMSODIK-RRFJBIMHSA-N 1 1 276.424 3.059 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 ZINC000815107161 631719396 /nfs/dbraw/zinc/71/93/96/631719396.db2.gz HHCWLCBKRLHBGD-HOCLYGCPSA-N 1 1 276.424 3.060 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000816516421 632002265 /nfs/dbraw/zinc/00/22/65/632002265.db2.gz FHGAGTGPJIIQAH-QWRGUYRKSA-N 1 1 299.773 3.043 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000816516421 632002270 /nfs/dbraw/zinc/00/22/70/632002270.db2.gz FHGAGTGPJIIQAH-QWRGUYRKSA-N 1 1 299.773 3.043 20 10 CGCDMO Oc1c(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)ccc2ccccc21 ZINC000816516835 632003170 /nfs/dbraw/zinc/00/31/70/632003170.db2.gz SNPCDCLAZAKWPK-RDJZCZTQSA-N 1 1 297.398 3.404 20 10 CGCDMO CSCC[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816552706 632009926 /nfs/dbraw/zinc/00/99/26/632009926.db2.gz TWVAGPXAIMEGAU-MRVPVSSYSA-N 1 1 277.792 3.416 20 10 CGCDMO CC1(C)SC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816600583 632021050 /nfs/dbraw/zinc/02/10/50/632021050.db2.gz BYPSETJYCPYTAP-LLVKDONJSA-N 1 1 275.776 3.168 20 10 CGCDMO CC(C)N(C)C[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816616508 632024273 /nfs/dbraw/zinc/02/42/73/632024273.db2.gz YLCIFXIIXZLLNJ-SNVBAGLBSA-N 1 1 288.794 3.003 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H](C)[C@@H]2C)c1 ZINC000816648981 632034950 /nfs/dbraw/zinc/03/49/50/632034950.db2.gz RNQMJYYPQGHZLE-UWVGGRQHSA-N 1 1 284.197 3.303 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@H+]2C[C@H](C)[C@@H]2C)c1 ZINC000816648981 632034943 /nfs/dbraw/zinc/03/49/43/632034943.db2.gz RNQMJYYPQGHZLE-UWVGGRQHSA-N 1 1 284.197 3.303 20 10 CGCDMO CC[C@@H]1C[N@H+](Cc2cc(OC)c(C)cc2O)C[C@H](CC)O1 ZINC000817366082 632133873 /nfs/dbraw/zinc/13/38/73/632133873.db2.gz UAYJQAGAVPHNSB-GASCZTMLSA-N 1 1 293.407 3.099 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](CCO)CC1 ZINC000817419816 632148099 /nfs/dbraw/zinc/14/80/99/632148099.db2.gz YMAWLSGOTOYLGL-INIZCTEOSA-N 1 1 290.451 3.046 20 10 CGCDMO Cc1ccc([C@@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817938678 632238850 /nfs/dbraw/zinc/23/88/50/632238850.db2.gz PLYJKAKVEXSMIP-DNVCBOLYSA-N 1 1 297.446 3.412 20 10 CGCDMO Cc1ccccc1[C@@H](C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938289 632239036 /nfs/dbraw/zinc/23/90/36/632239036.db2.gz IIMNJBXDQSZODJ-DNVCBOLYSA-N 1 1 297.446 3.412 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCCNC1)c1ccc(N2CCCCC2)cc1 ZINC000817942421 632240665 /nfs/dbraw/zinc/24/06/65/632240665.db2.gz YLLBIMJDVNFODR-RDJZCZTQSA-N 1 1 287.451 3.080 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCCNC1)c1ccc(N2CCCCC2)cc1 ZINC000817942419 632240730 /nfs/dbraw/zinc/24/07/30/632240730.db2.gz YLLBIMJDVNFODR-NVXWUHKLSA-N 1 1 287.451 3.080 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H](N)c1ccccc1)c1ccc(F)cc1O ZINC000817955547 632250252 /nfs/dbraw/zinc/25/02/52/632250252.db2.gz YMDUPGNNKUQHRB-JKSUJKDBSA-N 1 1 288.366 3.272 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)NCC([NH3+])(CC)CC)cc1 ZINC000817959350 632254998 /nfs/dbraw/zinc/25/49/98/632254998.db2.gz BQASOAHHDATXRJ-CQSZACIVSA-N 1 1 277.456 3.311 20 10 CGCDMO CC[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000817964664 632259185 /nfs/dbraw/zinc/25/91/85/632259185.db2.gz HUDVLPGTCOBQHA-AWEZNQCLSA-N 1 1 296.842 3.476 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cc(Cl)ccc1[O-] ZINC000817977215 632268589 /nfs/dbraw/zinc/26/85/89/632268589.db2.gz DYUZUCKRWHDZKM-GXFFZTMASA-N 1 1 270.804 3.214 20 10 CGCDMO Cc1cc(F)c(C[NH2+]Cc2ccc3c(c2)CCO3)c(F)c1 ZINC000818191107 632294693 /nfs/dbraw/zinc/29/46/93/632294693.db2.gz QTWFIVNSBHBUBM-UHFFFAOYSA-N 1 1 289.325 3.498 20 10 CGCDMO C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cc(Cl)c(Cl)cc1O ZINC000866416227 633128469 /nfs/dbraw/zinc/12/84/69/633128469.db2.gz PSHBKZLOWFKBAS-HLTSFMKQSA-N 1 1 290.190 3.121 20 10 CGCDMO C[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccc(F)cc1O ZINC000866566056 633196484 /nfs/dbraw/zinc/19/64/84/633196484.db2.gz XEWAVJHSFLCOTE-MRVPVSSYSA-N 1 1 299.296 3.053 20 10 CGCDMO CC[C@@H](C)[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)OC ZINC000824597564 633263231 /nfs/dbraw/zinc/26/32/31/633263231.db2.gz URGPYWJHRSBVQY-YMTOWFKASA-N 1 1 289.778 3.335 20 10 CGCDMO COC[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824782729 633289477 /nfs/dbraw/zinc/28/94/77/633289477.db2.gz LYXLEVKIHMPHMF-GFCCVEGCSA-N 1 1 283.799 3.212 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)c(O)c1 ZINC000876585535 634862102 /nfs/dbraw/zinc/86/21/02/634862102.db2.gz NKDDZMZWGABBJA-MRXNPFEDSA-N 1 1 268.360 3.433 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)CCOCC2CC2)cc1Cl ZINC000824902401 633304162 /nfs/dbraw/zinc/30/41/62/633304162.db2.gz VYOQJTDKPDIACS-UHFFFAOYSA-N 1 1 283.799 3.212 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)[C@@H](CO)CC(C)(C)C)c(O)c1 ZINC000825040323 633320584 /nfs/dbraw/zinc/32/05/84/633320584.db2.gz GMFFBLKFRGBJIK-CQSZACIVSA-N 1 1 295.423 3.020 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1Cl ZINC000825127432 633330662 /nfs/dbraw/zinc/33/06/62/633330662.db2.gz XKRPZGCOGVJNEO-GFCCVEGCSA-N 1 1 296.842 3.176 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1Cl ZINC000825468440 633356440 /nfs/dbraw/zinc/35/64/40/633356440.db2.gz LSDZUIFDYDMIPQ-UHFFFAOYSA-N 1 1 296.842 3.176 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC23CCOCC3)cc1Cl ZINC000825709792 633376548 /nfs/dbraw/zinc/37/65/48/633376548.db2.gz BCCQXSMBIFVZJR-UHFFFAOYSA-N 1 1 281.783 3.109 20 10 CGCDMO CC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1O)C(F)F ZINC000826029269 633399095 /nfs/dbraw/zinc/39/90/95/633399095.db2.gz BUUPLJQBKDXYJQ-JTQLQIEISA-N 1 1 263.715 3.487 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2O)C[C@@H]1C ZINC000826063018 633402266 /nfs/dbraw/zinc/40/22/66/633402266.db2.gz ZTPJZCJQADSTEV-NHYWBVRUSA-N 1 1 283.799 3.211 20 10 CGCDMO COc1ccc2c(c1)CC[N@H+](Cc1cc(C)ccc1O)C2 ZINC000827304778 633480641 /nfs/dbraw/zinc/48/06/41/633480641.db2.gz DPICZTUOWDVXQQ-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO Oc1c(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)ccc2ccccc21 ZINC000827601733 633502361 /nfs/dbraw/zinc/50/23/61/633502361.db2.gz HSACGHRXAWOCFF-CVEARBPZSA-N 1 1 283.371 3.014 20 10 CGCDMO C[C@H]1CC2(C[N@H+]1Cc1ccc(N(C)C)cc1)CCOCC2 ZINC000830602986 633873368 /nfs/dbraw/zinc/87/33/68/633873368.db2.gz CRROANBXHIWXQC-HNNXBMFYSA-N 1 1 288.435 3.144 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](SC)C2)cc1 ZINC000830890573 633894596 /nfs/dbraw/zinc/89/45/96/633894596.db2.gz ZZZHUQKTMPTYHO-OAHLLOKOSA-N 1 1 264.438 3.080 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1ccc(F)cc1O ZINC000872108542 634031405 /nfs/dbraw/zinc/03/14/05/634031405.db2.gz AEHDCMICCYHNJX-NGOBNIPXSA-N 1 1 279.355 3.140 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)cc1 ZINC000832152562 634032574 /nfs/dbraw/zinc/03/25/74/634032574.db2.gz KNPHTWHOBYELLZ-QGZVFWFLSA-N 1 1 290.451 3.126 20 10 CGCDMO C[C@H]([NH2+][C@H](CO)CCF)c1cc(Cl)c(Cl)cc1O ZINC000846209414 636159286 /nfs/dbraw/zinc/15/92/86/636159286.db2.gz RCWUXZRXUDMAQK-YUMQZZPRSA-N 1 1 296.169 3.070 20 10 CGCDMO C[C@H]([NH2+][C@@H](CO)CCF)c1cc(Cl)c(Cl)cc1O ZINC000846209412 636159457 /nfs/dbraw/zinc/15/94/57/636159457.db2.gz RCWUXZRXUDMAQK-JGVFFNPUSA-N 1 1 296.169 3.070 20 10 CGCDMO Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000872133837 634056101 /nfs/dbraw/zinc/05/61/01/634056101.db2.gz PCKIEXIEYZHDHO-KOLCDFICSA-N 1 1 275.327 3.042 20 10 CGCDMO CCCOc1ccc(CNC[C@H]2CC[N@H+](CC)C2)cc1C ZINC000873015493 634232010 /nfs/dbraw/zinc/23/20/10/634232010.db2.gz MXIKSIYIESJMSF-QGZVFWFLSA-N 1 1 290.451 3.215 20 10 CGCDMO CCCOc1ccc(CNC[C@H]2CC[N@@H+](CC)C2)cc1C ZINC000873015493 634232014 /nfs/dbraw/zinc/23/20/14/634232014.db2.gz MXIKSIYIESJMSF-QGZVFWFLSA-N 1 1 290.451 3.215 20 10 CGCDMO COCC1(C[NH2+][C@H](C)c2ccc(F)cc2O)CCCC1 ZINC000834906318 634281904 /nfs/dbraw/zinc/28/19/04/634281904.db2.gz OYKBIGCMYDNRJM-GFCCVEGCSA-N 1 1 281.371 3.389 20 10 CGCDMO COCC1(C[NH2+][C@@H](C)c2ccc(F)cc2O)CCCC1 ZINC000834906319 634282345 /nfs/dbraw/zinc/28/23/45/634282345.db2.gz OYKBIGCMYDNRJM-LBPRGKRZSA-N 1 1 281.371 3.389 20 10 CGCDMO CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)C[C@H]1CCOC1 ZINC000835026232 634325148 /nfs/dbraw/zinc/32/51/48/634325148.db2.gz SMAFOAWAQPZWKB-KEGWNNHHSA-N 1 1 288.435 3.124 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+](CCCCO)C2CC2)cc1 ZINC000835027737 634325425 /nfs/dbraw/zinc/32/54/25/634325425.db2.gz GKPLKIRFUALXII-WAYWQWQTSA-N 1 1 288.435 3.003 20 10 CGCDMO CC(C)[N@@H+](C)C[C@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835055881 634338970 /nfs/dbraw/zinc/33/89/70/634338970.db2.gz OWVHYRGUTPXVRP-WAVCKPEOSA-N 1 1 289.467 3.084 20 10 CGCDMO CC(C)[N@H+](C)C[C@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835055881 634338978 /nfs/dbraw/zinc/33/89/78/634338978.db2.gz OWVHYRGUTPXVRP-WAVCKPEOSA-N 1 1 289.467 3.084 20 10 CGCDMO Cc1ccc(CC[NH2+]Cc2c(O)ccc(Cl)c2F)nc1 ZINC000835066436 634344729 /nfs/dbraw/zinc/34/47/29/634344729.db2.gz WNCHQHTUFKZDCP-UHFFFAOYSA-N 1 1 294.757 3.220 20 10 CGCDMO Cc1ccc(C[N@@H+](CCCO)Cc2ccccc2)c(O)c1 ZINC000876692075 634882192 /nfs/dbraw/zinc/88/21/92/634882192.db2.gz MVADVEQSKMUVDZ-UHFFFAOYSA-N 1 1 285.387 3.085 20 10 CGCDMO Cc1ccc(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)c(O)c1 ZINC000876724426 634886721 /nfs/dbraw/zinc/88/67/21/634886721.db2.gz WQUIVWXDSJTADM-AWEZNQCLSA-N 1 1 285.387 3.469 20 10 CGCDMO COC1CCC([N@@H+](C)Cc2ccc(C)cc2O)CC1 ZINC000876737264 634887747 /nfs/dbraw/zinc/88/77/47/634887747.db2.gz OXVXYCHLRNSYTQ-UHFFFAOYSA-N 1 1 263.381 3.090 20 10 CGCDMO Cc1ccc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)c(O)c1 ZINC000876766898 634895223 /nfs/dbraw/zinc/89/52/23/634895223.db2.gz VRIKDKILUWAJSS-INIZCTEOSA-N 1 1 276.424 3.007 20 10 CGCDMO Cc1ccc(CN(C)CC[C@@H]2CCCC[N@H+]2C)c(O)c1 ZINC000876766898 634895228 /nfs/dbraw/zinc/89/52/28/634895228.db2.gz VRIKDKILUWAJSS-INIZCTEOSA-N 1 1 276.424 3.007 20 10 CGCDMO C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc(F)cc(F)c1[O-] ZINC000840809272 635055613 /nfs/dbraw/zinc/05/56/13/635055613.db2.gz HVYTWPCZWBPYEA-NEPJUHHUSA-N 1 1 298.377 3.053 20 10 CGCDMO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2ccc(C)cc2O)n1 ZINC000877524611 635072151 /nfs/dbraw/zinc/07/21/51/635072151.db2.gz ZMBOYHNWJJHIAH-AWEZNQCLSA-N 1 1 287.363 3.119 20 10 CGCDMO Cc1noc([C@@H]2CCCC[N@H+]2Cc2ccc(C)cc2O)n1 ZINC000877524611 635072157 /nfs/dbraw/zinc/07/21/57/635072157.db2.gz ZMBOYHNWJJHIAH-AWEZNQCLSA-N 1 1 287.363 3.119 20 10 CGCDMO Cc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(O)c1 ZINC000877542112 635080993 /nfs/dbraw/zinc/08/09/93/635080993.db2.gz VNQMPRNUSODUEE-SJORKVTESA-N 1 1 287.403 3.234 20 10 CGCDMO Cc1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)nn1 ZINC000840910814 635081455 /nfs/dbraw/zinc/08/14/55/635081455.db2.gz SHLIIIJWGNSDFM-UHFFFAOYSA-N 1 1 298.434 3.262 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c(Cl)c1 ZINC000840919354 635082271 /nfs/dbraw/zinc/08/22/71/635082271.db2.gz CSBIPMAQIZSZBI-IUODEOHRSA-N 1 1 295.810 3.355 20 10 CGCDMO Cc1cc(N(C)C)ccc1CN[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000840935288 635084881 /nfs/dbraw/zinc/08/48/81/635084881.db2.gz KRUZGBBXQMGRFJ-IAGOWNOFSA-N 1 1 289.467 3.023 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840936473 635086179 /nfs/dbraw/zinc/08/61/79/635086179.db2.gz JPACGPJUYXEJAT-KRWDZBQOSA-N 1 1 276.424 3.062 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000840943513 635090003 /nfs/dbraw/zinc/09/00/03/635090003.db2.gz TVUAYOOLLDJGLX-MSOLQXFVSA-N 1 1 288.435 3.204 20 10 CGCDMO CC[N@@H+](Cc1cc(OC)ccc1O)C1CC(C)(C)C1 ZINC000840970885 635097518 /nfs/dbraw/zinc/09/75/18/635097518.db2.gz DRIDULVZNMRIME-UHFFFAOYSA-N 1 1 263.381 3.411 20 10 CGCDMO Cc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)cc1[N+](=O)[O-] ZINC000877703368 635155678 /nfs/dbraw/zinc/15/56/78/635155678.db2.gz DZIPHZCSNOATCN-UHFFFAOYSA-N 1 1 284.315 3.125 20 10 CGCDMO Cc1ccc(C[N@H+]2Cc3cccc(O)c3C2)cc1[N+](=O)[O-] ZINC000877703368 635155684 /nfs/dbraw/zinc/15/56/84/635155684.db2.gz DZIPHZCSNOATCN-UHFFFAOYSA-N 1 1 284.315 3.125 20 10 CGCDMO C[C@H]([NH2+]CC[C@H]1CCCO1)c1ccc(Cl)cc1O ZINC000841745582 635222300 /nfs/dbraw/zinc/22/23/00/635222300.db2.gz QIYVNXJWHTWCMA-CMPLNLGQSA-N 1 1 269.772 3.265 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(Cl)cc1O ZINC000841743995 635222598 /nfs/dbraw/zinc/22/25/98/635222598.db2.gz DVAKCUPCJQZEGZ-YGRLFVJLSA-N 1 1 282.815 3.036 20 10 CGCDMO CCC(CC)(CO)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841751479 635225275 /nfs/dbraw/zinc/22/52/75/635225275.db2.gz NFLROJDDDDLEGW-NSHDSACASA-N 1 1 285.815 3.495 20 10 CGCDMO C[C@@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(Cl)cc1O ZINC000841756846 635229736 /nfs/dbraw/zinc/22/97/36/635229736.db2.gz AOYBXRYZLHBTFU-YGRLFVJLSA-N 1 1 269.772 3.123 20 10 CGCDMO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1ccc(Cl)cc1O ZINC000841761233 635233317 /nfs/dbraw/zinc/23/33/17/635233317.db2.gz XIRPUGZUTJGZJE-PGUXBMHVSA-N 1 1 294.826 3.179 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCSC[C@@H]2C2CCC2)c1 ZINC000841893279 635248968 /nfs/dbraw/zinc/24/89/68/635248968.db2.gz HUUYWVWVDXFPIG-OAHLLOKOSA-N 1 1 277.433 3.418 20 10 CGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCO[C@@H]1C ZINC000877977872 635302835 /nfs/dbraw/zinc/30/28/35/635302835.db2.gz XAFSPHLHHRARHI-NVXWUHKLSA-N 1 1 290.451 3.388 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c1O ZINC000842624355 635421802 /nfs/dbraw/zinc/42/18/02/635421802.db2.gz YZEMYROWOGNFFW-OAHLLOKOSA-N 1 1 298.386 3.094 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@H]1CCC(C)(C)CO1 ZINC000878242330 635429137 /nfs/dbraw/zinc/42/91/37/635429137.db2.gz OTTHNDHRDCCOEZ-CQSZACIVSA-N 1 1 263.381 3.029 20 10 CGCDMO Oc1c(Cl)cccc1CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000843047919 635549581 /nfs/dbraw/zinc/54/95/81/635549581.db2.gz BNINUFUVVSXUHN-HUUCEWRRSA-N 1 1 294.826 3.152 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1O ZINC000843416010 635663069 /nfs/dbraw/zinc/66/30/69/635663069.db2.gz FZHAFJWBEAWIGZ-HZPDHXFCSA-N 1 1 275.392 3.092 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@H](c3cccnc3)C2)c1O ZINC000843419994 635665418 /nfs/dbraw/zinc/66/54/18/635665418.db2.gz XWNDEXOKXAMIRC-HNNXBMFYSA-N 1 1 268.360 3.085 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@@H](OC(C)C)C2)c(O)cc1C ZINC000844718469 635956728 /nfs/dbraw/zinc/95/67/28/635956728.db2.gz VRAQVTQQILAVED-OAHLLOKOSA-N 1 1 293.407 3.099 20 10 CGCDMO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cc(OC)c(C)cc1O ZINC000844723236 635957407 /nfs/dbraw/zinc/95/74/07/635957407.db2.gz LPSHWNSGDNHFKG-CQSZACIVSA-N 1 1 293.407 3.099 20 10 CGCDMO CC[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000844926947 635987252 /nfs/dbraw/zinc/98/72/52/635987252.db2.gz XAQLASIASQHARD-HNNXBMFYSA-N 1 1 296.842 3.476 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC23CCCC3)c1O ZINC000845998246 636127798 /nfs/dbraw/zinc/12/77/98/636127798.db2.gz AQYJESZMUHKPJP-UHFFFAOYSA-N 1 1 261.365 3.309 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC23CCCC3)c(O)c1 ZINC000845999811 636128300 /nfs/dbraw/zinc/12/83/00/636128300.db2.gz KLNYKCHEOUDVFG-UHFFFAOYSA-N 1 1 261.365 3.309 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000846106364 636144067 /nfs/dbraw/zinc/14/40/67/636144067.db2.gz AIBQMGFNVNWWEO-AWEZNQCLSA-N 1 1 267.319 3.322 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000846107439 636144454 /nfs/dbraw/zinc/14/44/54/636144454.db2.gz HEOSYQMUVMERKD-CQSZACIVSA-N 1 1 283.318 3.022 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](c3ccncc3)C2)cc1 ZINC000846907445 636278878 /nfs/dbraw/zinc/27/88/78/636278878.db2.gz GWOMWDKHDDONOL-KRWDZBQOSA-N 1 1 281.403 3.137 20 10 CGCDMO COC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1 ZINC000882997058 636498544 /nfs/dbraw/zinc/49/85/44/636498544.db2.gz UQHIKEYWIXXRBT-HNNXBMFYSA-N 1 1 293.313 3.148 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(Cl)ccc1[O-] ZINC000848557183 636603861 /nfs/dbraw/zinc/60/38/61/636603861.db2.gz GFKDGMBEROUIHU-LNSITVRQSA-N 1 1 296.842 3.427 20 10 CGCDMO C[C@H]([NH2+]C1(c2ncccn2)CCC1)c1ccc(N(C)C)cc1 ZINC000883314269 636664531 /nfs/dbraw/zinc/66/45/31/636664531.db2.gz ZUXAGECYIHOYFF-AWEZNQCLSA-N 1 1 296.418 3.273 20 10 CGCDMO COC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2O)C1 ZINC000883319904 636670744 /nfs/dbraw/zinc/67/07/44/636670744.db2.gz UQJLXLWDXPAEBD-FOGDFJRCSA-N 1 1 269.772 3.121 20 10 CGCDMO CCc1cccc(C[N@@H+](C)[C@H]2CCN(CC)C[C@H]2C)c1O ZINC000848888781 636675719 /nfs/dbraw/zinc/67/57/19/636675719.db2.gz ZILIFZRUXFZPNY-PBHICJAKSA-N 1 1 290.451 3.117 20 10 CGCDMO CCc1cccc(C[N@H+](C)[C@H]2CCN(CC)C[C@H]2C)c1O ZINC000848888781 636675721 /nfs/dbraw/zinc/67/57/21/636675721.db2.gz ZILIFZRUXFZPNY-PBHICJAKSA-N 1 1 290.451 3.117 20 10 CGCDMO CCc1cccc(C[NH2+]CCc2ccc3cn[nH]c3c2)c1O ZINC000848909009 636686383 /nfs/dbraw/zinc/68/63/83/636686383.db2.gz IBUSIYMAPVRCJV-UHFFFAOYSA-N 1 1 295.386 3.163 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)c1 ZINC000132739444 636833495 /nfs/dbraw/zinc/83/34/95/636833495.db2.gz DUIWVBZFTIWKBB-OCCSQVGLSA-N 1 1 263.381 3.411 20 10 CGCDMO CCOc1cccc(C[N@@H+](CCOC)C(CC)CC)c1O ZINC000133493545 636904787 /nfs/dbraw/zinc/90/47/87/636904787.db2.gz PGGMCHYIPQQQJK-UHFFFAOYSA-N 1 1 295.423 3.428 20 10 CGCDMO COCC1([NH2+]Cc2c(O)ccc(Cl)c2F)CCCC1 ZINC000850345354 637022026 /nfs/dbraw/zinc/02/20/26/637022026.db2.gz VVEOHJGUPXXPRL-UHFFFAOYSA-N 1 1 287.762 3.234 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1ccc(F)cc1O ZINC000850482268 637085968 /nfs/dbraw/zinc/08/59/68/637085968.db2.gz RBPAQMFVEUBUHF-ZFWWWQNUSA-N 1 1 294.414 3.445 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)C1CC1 ZINC000850541329 637114771 /nfs/dbraw/zinc/11/47/71/637114771.db2.gz YREYIWXAMYGAMD-IINYFYTJSA-N 1 1 277.364 3.018 20 10 CGCDMO CC[C@H]1CCCCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000135644776 637150165 /nfs/dbraw/zinc/15/01/65/637150165.db2.gz RUSNZILWAHDIOO-ZDUSSCGKSA-N 1 1 277.364 3.276 20 10 CGCDMO C[C@H]1CCCC[C@H]1OCC[N@@H+](C)Cc1ccccc1O ZINC000109771513 637268168 /nfs/dbraw/zinc/26/81/68/637268168.db2.gz RFLVZFQAMSTFIL-WMLDXEAASA-N 1 1 277.408 3.419 20 10 CGCDMO CO[C@@H](C[N@@H+](C)Cc1ccccc1O)C1CCCC1 ZINC000851841607 637519827 /nfs/dbraw/zinc/51/98/27/637519827.db2.gz VQHYFQZWSLHHMK-INIZCTEOSA-N 1 1 263.381 3.029 20 10 CGCDMO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1c(O)cccc1F ZINC000886531218 637556952 /nfs/dbraw/zinc/55/69/52/637556952.db2.gz YCWXPYROKYYEIF-BONVTDFDSA-N 1 1 295.379 3.151 20 10 CGCDMO CS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2c(O)cccc2F)C1 ZINC000886532665 637558153 /nfs/dbraw/zinc/55/81/53/637558153.db2.gz MPYBLEICHYNUSJ-GARJFASQSA-N 1 1 269.385 3.466 20 10 CGCDMO Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886535031 637559935 /nfs/dbraw/zinc/55/99/35/637559935.db2.gz TXFCTEFPOMCLKZ-SWLSCSKDSA-N 1 1 289.350 3.224 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCCCS1)c1c(O)cccc1F ZINC000886587560 637593534 /nfs/dbraw/zinc/59/35/34/637593534.db2.gz BCFCSHPTYSRRPO-MNOVXSKESA-N 1 1 269.385 3.468 20 10 CGCDMO Cc1cccc(CC[NH2+][C@@H](C)c2c(O)cccc2F)n1 ZINC000886603459 637600340 /nfs/dbraw/zinc/60/03/40/637600340.db2.gz ORFCFWLPFPCHGH-LBPRGKRZSA-N 1 1 274.339 3.128 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCCSC1)c1c(O)cccc1F ZINC000886611141 637602651 /nfs/dbraw/zinc/60/26/51/637602651.db2.gz UMOOTUOMJVBGNW-QWRGUYRKSA-N 1 1 269.385 3.325 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCCSC1)c1c(O)cccc1F ZINC000886611142 637605240 /nfs/dbraw/zinc/60/52/40/637605240.db2.gz UMOOTUOMJVBGNW-WDEREUQCSA-N 1 1 269.385 3.325 20 10 CGCDMO COC1([C@@H](C)[NH2+][C@H](C)c2c(O)cccc2F)CCC1 ZINC000886627053 637616217 /nfs/dbraw/zinc/61/62/17/637616217.db2.gz RPRLEVDQCJFSSC-GHMZBOCLSA-N 1 1 267.344 3.140 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)c1c(O)cccc1F ZINC000886627004 637617048 /nfs/dbraw/zinc/61/70/48/637617048.db2.gz QISHBCTWANREKD-HOSYDEDBSA-N 1 1 255.308 3.463 20 10 CGCDMO Cc1ccncc1CC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886636340 637621902 /nfs/dbraw/zinc/62/19/02/637621902.db2.gz LSHSFQSRLRKNHP-LBPRGKRZSA-N 1 1 274.339 3.128 20 10 CGCDMO CCN(C)c1ccc(C[NH2+][C@H](C)c2cscn2)cc1 ZINC000852416144 637649747 /nfs/dbraw/zinc/64/97/47/637649747.db2.gz DPXGVWOVZAYORX-GFCCVEGCSA-N 1 1 275.421 3.450 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)ccc1N(C)C ZINC000886818648 637705333 /nfs/dbraw/zinc/70/53/33/637705333.db2.gz HRSFBKKEZYRPEA-WMZOPIPTSA-N 1 1 288.435 3.062 20 10 CGCDMO C[N@@H+](CC1=CCSC1)Cc1cc2c(cc1O)CCCC2 ZINC000853620588 637874455 /nfs/dbraw/zinc/87/44/55/637874455.db2.gz WCARAKWAVQISRA-UHFFFAOYSA-N 1 1 289.444 3.376 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1ccc(F)cc1O ZINC000854226108 638027351 /nfs/dbraw/zinc/02/73/51/638027351.db2.gz NXAOAAJYGKXNHG-MGPLVRAMSA-N 1 1 286.350 3.452 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]3CCCC[C@@H]31)OCO2 ZINC000007142790 638247755 /nfs/dbraw/zinc/24/77/55/638247755.db2.gz WMZFNEJSAPQZMB-JSGCOSHPSA-N 1 1 289.375 3.276 20 10 CGCDMO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)c(O)c1C ZINC000858490084 638739762 /nfs/dbraw/zinc/73/97/62/638739762.db2.gz BAWFSWNVJQZOFA-CVEARBPZSA-N 1 1 290.451 3.392 20 10 CGCDMO CC(C)[C@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1cnn(C)c1 ZINC000927071408 638838370 /nfs/dbraw/zinc/83/83/70/638838370.db2.gz SIWDGWUHOJZEPT-BZNIZROVSA-N 1 1 291.370 3.313 20 10 CGCDMO C[C@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1c(O)cccc1F ZINC000927159362 638848675 /nfs/dbraw/zinc/84/86/75/638848675.db2.gz NNIDWWAARIFQBL-SMDDNHRTSA-N 1 1 279.355 3.284 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2ccccc2O)c1C ZINC000929969797 638964983 /nfs/dbraw/zinc/96/49/83/638964983.db2.gz DCJUKXCYBAHMAM-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO C[C@H](NCC[NH+]1CCCCCC1)c1ccc(N(C)C)cc1 ZINC000040767831 639896219 /nfs/dbraw/zinc/89/62/19/639896219.db2.gz SFGRSLRIMGQJNW-INIZCTEOSA-N 1 1 289.467 3.279 20 10 CGCDMO CC[C@]1(C)C[N@@H+](Cc2cc(C)c(C)cc2O)CCO1 ZINC000190350661 640242273 /nfs/dbraw/zinc/24/22/73/640242273.db2.gz CAXYTJIDUBLTKB-MRXNPFEDSA-N 1 1 263.381 3.010 20 10 CGCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)CC1CCCC1 ZINC000078449715 640314366 /nfs/dbraw/zinc/31/43/66/640314366.db2.gz QSHBXTHZGZLMOK-UHFFFAOYSA-N 1 1 288.435 3.145 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCSC(C)(C)C2)cc1C ZINC000083630707 640598193 /nfs/dbraw/zinc/59/81/93/640598193.db2.gz NGDVZZUGMPWHBL-UHFFFAOYSA-N 1 1 265.422 3.336 20 10 CGCDMO CC[C@@H](C)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000088510819 640619115 /nfs/dbraw/zinc/61/91/15/640619115.db2.gz DTGUTOFEYVDUCN-ZBFHGGJFSA-N 1 1 277.408 3.419 20 10 CGCDMO CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H](C)O1 ZINC000092487143 640737782 /nfs/dbraw/zinc/73/77/82/640737782.db2.gz UPPGBMOENXYHHQ-GXFFZTMASA-N 1 1 269.772 3.045 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@H](C)O1 ZINC000092487143 640737784 /nfs/dbraw/zinc/73/77/84/640737784.db2.gz UPPGBMOENXYHHQ-GXFFZTMASA-N 1 1 269.772 3.045 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)c1 ZINC000093102603 640757263 /nfs/dbraw/zinc/75/72/63/640757263.db2.gz AXRYQFCUWIFQPO-AWEZNQCLSA-N 1 1 291.391 3.007 20 10 CGCDMO C[C@H]1c2ccccc2CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000093149629 640758693 /nfs/dbraw/zinc/75/86/93/640758693.db2.gz VFVKDMOGYZRVSM-LBPRGKRZSA-N 1 1 297.354 3.240 20 10 CGCDMO CC[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000096810835 640839150 /nfs/dbraw/zinc/83/91/50/640839150.db2.gz ITNOFUOKXQRUAK-LBPRGKRZSA-N 1 1 277.364 3.133 20 10 CGCDMO COCC[N@H+](Cc1cc(C)c(C)cc1O)CC(C)C ZINC000124536001 798997356 /nfs/dbraw/zinc/99/73/56/798997356.db2.gz GMJBRWNWLVIQGY-UHFFFAOYSA-N 1 1 265.397 3.113 20 10 CGCDMO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCCC1(F)F)CC2 ZINC000397970192 799524552 /nfs/dbraw/zinc/52/45/52/799524552.db2.gz SYFGPHYPLPHLRS-JQWIXIFHSA-N 1 1 253.292 3.157 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[NH+]2C3CCC2CC3)c1O ZINC000398871249 799533344 /nfs/dbraw/zinc/53/33/44/799533344.db2.gz CGPOYBIGMJATMK-UHFFFAOYSA-N 1 1 279.767 3.375 20 10 CGCDMO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000687212156 799737673 /nfs/dbraw/zinc/73/76/73/799737673.db2.gz HLLSNRHARVFIOD-MFKMUULPSA-N 1 1 269.772 3.045 20 10 CGCDMO CC[N@@H+](CCC(F)(F)F)Cc1cccc(C)c1O ZINC000688500357 799748449 /nfs/dbraw/zinc/74/84/49/799748449.db2.gz NEGWCVVGJLXDNI-UHFFFAOYSA-N 1 1 261.287 3.475 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](CCF)C2)c1 ZINC000689870027 799769761 /nfs/dbraw/zinc/76/97/61/799769761.db2.gz YZTJQLCTEHAKTD-ZDUSSCGKSA-N 1 1 251.345 3.272 20 10 CGCDMO C[C@@H]([NH2+]CCC1SCCS1)c1ccc(F)cc1O ZINC000693780763 799814779 /nfs/dbraw/zinc/81/47/79/799814779.db2.gz STBRQSJPTJRIRD-SECBINFHSA-N 1 1 287.425 3.378 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1CCCCS1 ZINC000708467368 799988518 /nfs/dbraw/zinc/98/85/18/799988518.db2.gz ZSFAADZFMKZGPR-LLVKDONJSA-N 1 1 273.348 3.046 20 10 CGCDMO CC(C)[C@H]([NH2+]Cc1cc(F)cc(F)c1O)C1CC1 ZINC000708516562 799990339 /nfs/dbraw/zinc/99/03/39/799990339.db2.gz JJHXRCBCFLGXGW-ZDUSSCGKSA-N 1 1 255.308 3.195 20 10 CGCDMO C[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)CC(F)(F)F ZINC000708486980 799990921 /nfs/dbraw/zinc/99/09/21/799990921.db2.gz UKKLLKPGNIAEOG-ZETCQYMHSA-N 1 1 283.240 3.349 20 10 CGCDMO CC(C)(C)[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000708999191 800000744 /nfs/dbraw/zinc/00/07/44/800000744.db2.gz GMMFCWIYCWGDJG-AWEZNQCLSA-N 1 1 283.799 3.293 20 10 CGCDMO CC(C)(C)[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000708999191 800000751 /nfs/dbraw/zinc/00/07/51/800000751.db2.gz GMMFCWIYCWGDJG-AWEZNQCLSA-N 1 1 283.799 3.293 20 10 CGCDMO CC(C)(C)[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000708999195 800001281 /nfs/dbraw/zinc/00/12/81/800001281.db2.gz GMMFCWIYCWGDJG-CQSZACIVSA-N 1 1 283.799 3.293 20 10 CGCDMO CC(C)(C)[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000708999195 800001286 /nfs/dbraw/zinc/00/12/86/800001286.db2.gz GMMFCWIYCWGDJG-CQSZACIVSA-N 1 1 283.799 3.293 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](CF)C1 ZINC000711476700 800063812 /nfs/dbraw/zinc/06/38/12/800063812.db2.gz OTLLXWJGOZJMBZ-SNVBAGLBSA-N 1 1 257.736 3.227 20 10 CGCDMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccns1 ZINC000715997832 800158586 /nfs/dbraw/zinc/15/85/86/800158586.db2.gz LVOGWLNXQUFCFK-IUCAKERBSA-N 1 1 266.341 3.400 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)c1ccc(F)cc1O ZINC000722337584 800315614 /nfs/dbraw/zinc/31/56/14/800315614.db2.gz NINYMTXAOXKBKC-OWRWGESLSA-N 1 1 279.355 3.140 20 10 CGCDMO COc1cc(C[N@@H+](C)C2CC(C)(C)C2)c(O)cc1C ZINC000840164771 800496155 /nfs/dbraw/zinc/49/61/55/800496155.db2.gz UKVUGCBSVUWMMF-UHFFFAOYSA-N 1 1 263.381 3.330 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cccc(=O)[nH]2)cc1 ZINC000897392790 800589358 /nfs/dbraw/zinc/58/93/58/800589358.db2.gz OCJUWOZGWRSMLO-UHFFFAOYSA-N 1 1 299.418 3.265 20 10 CGCDMO Cc1cccnc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001116530088 802372851 /nfs/dbraw/zinc/37/28/51/802372851.db2.gz FGUKTNNWTLEUTH-UHFFFAOYSA-N 1 1 269.392 3.088 20 10 CGCDMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2O)C1 ZINC001119237388 802636600 /nfs/dbraw/zinc/63/66/00/802636600.db2.gz UVTRQKRBCDGHSI-ZIAGYGMSSA-N 1 1 265.422 3.417 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1ccccc1C(=O)OC ZINC001137790294 803772345 /nfs/dbraw/zinc/77/23/45/803772345.db2.gz MRKLHNABADGWJQ-UHFFFAOYSA-N 1 1 299.370 3.201 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC001137831629 803778590 /nfs/dbraw/zinc/77/85/90/803778590.db2.gz HZGBTRVFXHOUIB-OAHLLOKOSA-N 1 1 272.323 3.263 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC001137831629 803778592 /nfs/dbraw/zinc/77/85/92/803778592.db2.gz HZGBTRVFXHOUIB-OAHLLOKOSA-N 1 1 272.323 3.263 20 10 CGCDMO CCOC1C[NH+](Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001137854158 803784837 /nfs/dbraw/zinc/78/48/37/803784837.db2.gz KNQGXYHAXDNACX-UHFFFAOYSA-N 1 1 284.403 3.315 20 10 CGCDMO Cc1cc(C[N@H+](C)CCF)c(C)n1-c1ccccc1 ZINC001137858972 803788609 /nfs/dbraw/zinc/78/86/09/803788609.db2.gz CMBZFSGOEMFRBN-UHFFFAOYSA-N 1 1 260.356 3.495 20 10 CGCDMO Cc1cc(C[N@@H+](C)CCF)c(C)n1-c1ccccc1 ZINC001137858972 803788618 /nfs/dbraw/zinc/78/86/18/803788618.db2.gz CMBZFSGOEMFRBN-UHFFFAOYSA-N 1 1 260.356 3.495 20 10 CGCDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138220866 803874702 /nfs/dbraw/zinc/87/47/02/803874702.db2.gz QTQLHIKFSLINJB-GOSISDBHSA-N 1 1 288.435 3.288 20 10 CGCDMO Cc1c(C[N@@H+]2CC[C@H](N3CCCC3)C2)c2ccccc2n1C ZINC001138257056 803882378 /nfs/dbraw/zinc/88/23/78/803882378.db2.gz UKOZXSWFFWEEEZ-INIZCTEOSA-N 1 1 297.446 3.157 20 10 CGCDMO Cc1c(C[N@H+]2CC[C@H](N3CCCC3)C2)c2ccccc2n1C ZINC001138257056 803882386 /nfs/dbraw/zinc/88/23/86/803882386.db2.gz UKOZXSWFFWEEEZ-INIZCTEOSA-N 1 1 297.446 3.157 20 10 CGCDMO Cc1c(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c2ccccc2n1C ZINC001138257920 803884526 /nfs/dbraw/zinc/88/45/26/803884526.db2.gz CUGGJGQICHQQLB-LJQANCHMSA-N 1 1 297.446 3.014 20 10 CGCDMO Cc1c(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c2ccccc2n1C ZINC001138257920 803884536 /nfs/dbraw/zinc/88/45/36/803884536.db2.gz CUGGJGQICHQQLB-LJQANCHMSA-N 1 1 297.446 3.014 20 10 CGCDMO CC1CC([N@@H+](C)Cc2ccc3c(c2)CCCN3C)C1 ZINC001138354852 803900888 /nfs/dbraw/zinc/90/08/88/803900888.db2.gz WTPMIGKNZBAPBP-UHFFFAOYSA-N 1 1 258.409 3.299 20 10 CGCDMO CN1CCCc2cc(C[N@@H+](CC3CC3)C3CC3)ccc21 ZINC001138359055 803903292 /nfs/dbraw/zinc/90/32/92/803903292.db2.gz IWAUWDOMOOQPKY-UHFFFAOYSA-N 1 1 270.420 3.443 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccnc1NC ZINC001138694982 804008625 /nfs/dbraw/zinc/00/86/25/804008625.db2.gz QIFJWZXSHWYVSA-UHFFFAOYSA-N 1 1 298.434 3.211 20 10 CGCDMO CCCC[C@@H]1C[C@H](NCc2ccc3c(c2)CCO3)CC[NH2+]1 ZINC001246199187 804204940 /nfs/dbraw/zinc/20/49/40/804204940.db2.gz KDBYVWVDWQZMCI-IAGOWNOFSA-N 1 1 288.435 3.022 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c1O ZINC001140180234 804395756 /nfs/dbraw/zinc/39/57/56/804395756.db2.gz LRQLKIGBHNGMDU-OFQRWUPVSA-N 1 1 275.392 3.008 20 10 CGCDMO Cc1ccc(C)c(C[N@H+](CCCCCO)C(C)C)c1O ZINC001140184684 804397819 /nfs/dbraw/zinc/39/78/19/804397819.db2.gz DVADXDJRJZXHJE-UHFFFAOYSA-N 1 1 279.424 3.382 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCc3occc3C2)c1O ZINC001140184403 804398466 /nfs/dbraw/zinc/39/84/66/804398466.db2.gz SAZFQAGPNKCYTQ-UHFFFAOYSA-N 1 1 257.333 3.160 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+](C)Cc2cncs2)c1O ZINC001140184509 804399179 /nfs/dbraw/zinc/39/91/79/804399179.db2.gz XHYGPFCNPUGPQF-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c1 ZINC001140621223 804476568 /nfs/dbraw/zinc/47/65/68/804476568.db2.gz RTNQKBSODPGGBT-OAHLLOKOSA-N 1 1 282.387 3.475 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)CCC(=O)c2ccccc2)c1 ZINC001140621340 804476841 /nfs/dbraw/zinc/47/68/41/804476841.db2.gz XTPWPSVALYDMJR-UHFFFAOYSA-N 1 1 283.371 3.405 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c1 ZINC001140619601 804477114 /nfs/dbraw/zinc/47/71/14/804477114.db2.gz IRIDHRWKSCVOLR-IRXDYDNUSA-N 1 1 293.366 3.113 20 10 CGCDMO Cc1c(O)ccc(C[N@@H+]2CC[C@H](C)C(F)(F)CC2)c1O ZINC001140742791 804502901 /nfs/dbraw/zinc/50/29/01/804502901.db2.gz ZBSAIRSTELGWCX-JTQLQIEISA-N 1 1 285.334 3.273 20 10 CGCDMO Cc1c(O)ccc(C[N@@H+](C)CCc2cccs2)c1O ZINC001140746105 804503458 /nfs/dbraw/zinc/50/34/58/804503458.db2.gz UYSHWUBSCQYYAH-UHFFFAOYSA-N 1 1 277.389 3.142 20 10 CGCDMO Cc1c(O)ccc(C[N@@H+](C)CC2CCCCC2)c1O ZINC001140749433 804505045 /nfs/dbraw/zinc/50/50/45/804505045.db2.gz ZHPYCUTZPALWEY-UHFFFAOYSA-N 1 1 263.381 3.418 20 10 CGCDMO C[N@@H+](Cc1cc(O)cc(Cl)c1)Cc1ccccc1O ZINC001140797505 804518168 /nfs/dbraw/zinc/51/81/68/804518168.db2.gz BJGZZUFVRYJXIR-UHFFFAOYSA-N 1 1 277.751 3.383 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]3C[C@H]32)c(O)c1 ZINC001140857414 804535519 /nfs/dbraw/zinc/53/55/19/804535519.db2.gz PZZDPBLIFIDWJJ-XJKSGUPXSA-N 1 1 274.408 3.223 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](CCO)C2)c(Cl)c1 ZINC001140925714 804551253 /nfs/dbraw/zinc/55/12/53/804551253.db2.gz VDLZVSDKEIGCSB-ZDUSSCGKSA-N 1 1 296.842 3.000 20 10 CGCDMO Cc1ccc(C[NH+]2CC(Oc3ccc(F)cc3)C2)c(O)c1 ZINC001140950665 804557732 /nfs/dbraw/zinc/55/77/32/804557732.db2.gz BEHVSYYMYZTUJT-UHFFFAOYSA-N 1 1 287.334 3.103 20 10 CGCDMO CCCCN1CCC([N@H+](C)Cc2ccc(C)cc2O)CC1 ZINC001140954051 804557752 /nfs/dbraw/zinc/55/77/52/804557752.db2.gz KBXDSBVUJFMGQK-UHFFFAOYSA-N 1 1 290.451 3.397 20 10 CGCDMO CCCCN1CCC([N@@H+](C)Cc2ccc(C)cc2O)CC1 ZINC001140954051 804557755 /nfs/dbraw/zinc/55/77/55/804557755.db2.gz KBXDSBVUJFMGQK-UHFFFAOYSA-N 1 1 290.451 3.397 20 10 CGCDMO Cc1ccc(C[N@H+](CCCCCO)C(C)C)c(O)c1 ZINC001140953479 804557864 /nfs/dbraw/zinc/55/78/64/804557864.db2.gz ARZCQEYCLAZOEH-UHFFFAOYSA-N 1 1 265.397 3.074 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@H]2Cc2ccccn2)c(O)c1 ZINC001140950192 804557936 /nfs/dbraw/zinc/55/79/36/804557936.db2.gz UYNJHYDESBBOEV-KRWDZBQOSA-N 1 1 282.387 3.303 20 10 CGCDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cc(O)ccc1O ZINC001141159850 804600356 /nfs/dbraw/zinc/60/03/56/804600356.db2.gz MUFNDFBGIAPLME-INIZCTEOSA-N 1 1 299.370 3.444 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001142513073 804729018 /nfs/dbraw/zinc/72/90/18/804729018.db2.gz VZXABMQNVKHLTQ-QWRGUYRKSA-N 1 1 267.319 3.292 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001142513073 804729020 /nfs/dbraw/zinc/72/90/20/804729020.db2.gz VZXABMQNVKHLTQ-QWRGUYRKSA-N 1 1 267.319 3.292 20 10 CGCDMO COC[C@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143104603 804801166 /nfs/dbraw/zinc/80/11/66/804801166.db2.gz WCBPDLCDXKFINX-ZDUSSCGKSA-N 1 1 277.408 3.158 20 10 CGCDMO COc1ccc(F)c(F)c1C[N@H+](C)Cc1ccccc1O ZINC001143413203 804850326 /nfs/dbraw/zinc/85/03/26/804850326.db2.gz MGQLSCHRVYRCPE-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO COc1ccc(F)c(F)c1C[N@@H+](C)Cc1ccccc1O ZINC001143413203 804850334 /nfs/dbraw/zinc/85/03/34/804850334.db2.gz MGQLSCHRVYRCPE-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248879547 805030267 /nfs/dbraw/zinc/03/02/67/805030267.db2.gz BQYBHYPRXXEQSH-PWSUYJOCSA-N 1 1 297.826 3.298 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1cccc3c1CCC3)CC2 ZINC001249458629 805153308 /nfs/dbraw/zinc/15/33/08/805153308.db2.gz GWCQNSQXURSVQV-UHFFFAOYSA-N 1 1 279.383 3.439 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(N[C@H]2CC[N@H+](C)C2)cc1 ZINC001167275296 807175467 /nfs/dbraw/zinc/17/54/67/807175467.db2.gz LZVMKTOAGRNPKV-INIZCTEOSA-N 1 1 269.392 3.210 20 10 CGCDMO CC(=O)c1cccc(O)c1Nc1cc[nH+]c2ccccc12 ZINC001174040078 808838320 /nfs/dbraw/zinc/83/83/20/808838320.db2.gz QQDLGYZYCNPODW-UHFFFAOYSA-N 1 1 278.311 3.309 20 10 CGCDMO Oc1cccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)c1O ZINC001175506289 809433580 /nfs/dbraw/zinc/43/35/80/809433580.db2.gz SRXJTCVFAXTOGK-UHFFFAOYSA-N 1 1 296.370 3.300 20 10 CGCDMO COc1ccc(CNCCC[N@@H+](C)CC(C)C)cc1C ZINC001179081126 809903218 /nfs/dbraw/zinc/90/32/18/809903218.db2.gz AIGBYEPHPJAKED-UHFFFAOYSA-N 1 1 278.440 3.071 20 10 CGCDMO CC1=CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC001180198502 809982555 /nfs/dbraw/zinc/98/25/55/809982555.db2.gz CIMANNNPIRAUPL-UHFFFAOYSA-N 1 1 266.335 3.183 20 10 CGCDMO CC1=CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC001180198502 809982559 /nfs/dbraw/zinc/98/25/59/809982559.db2.gz CIMANNNPIRAUPL-UHFFFAOYSA-N 1 1 266.335 3.183 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)Cc2ccc(F)cc2)c(O)c1 ZINC001180566212 810010880 /nfs/dbraw/zinc/01/08/80/810010880.db2.gz MDXOCEIOBDOINW-UHFFFAOYSA-N 1 1 289.350 3.480 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC001181741666 810069460 /nfs/dbraw/zinc/06/94/60/810069460.db2.gz TZDIIDRAVWPZKI-DZGCQCFKSA-N 1 1 281.783 3.189 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CC[C@H](O)CC(C)(C)C2)c1 ZINC001181788510 810071536 /nfs/dbraw/zinc/07/15/36/810071536.db2.gz ZNDPNXLRRDPKKA-INIZCTEOSA-N 1 1 291.435 3.499 20 10 CGCDMO CC(C)OCCC[N@@H+](C)Cc1ccc(Cl)cc1O ZINC001181933747 810084902 /nfs/dbraw/zinc/08/49/02/810084902.db2.gz OMPGPIAROBMTSX-UHFFFAOYSA-N 1 1 271.788 3.293 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC001183519171 810151281 /nfs/dbraw/zinc/15/12/81/810151281.db2.gz BWSMSMVLWIKJER-VIFPVBQESA-N 1 1 275.726 3.366 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](CF)C1 ZINC001183519171 810151282 /nfs/dbraw/zinc/15/12/82/810151282.db2.gz BWSMSMVLWIKJER-VIFPVBQESA-N 1 1 275.726 3.366 20 10 CGCDMO COc1cccc(CC[N@@H+](C)Cc2ccccc2O)c1 ZINC001203556166 812391340 /nfs/dbraw/zinc/39/13/40/812391340.db2.gz LUKNOICAFXTCRP-UHFFFAOYSA-N 1 1 271.360 3.075 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001203558536 812392448 /nfs/dbraw/zinc/39/24/48/812392448.db2.gz MDCUXWOLVSUWGY-UHFFFAOYSA-N 1 1 263.356 3.496 20 10 CGCDMO Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3O)C2)n1 ZINC001203562012 812394450 /nfs/dbraw/zinc/39/44/50/812394450.db2.gz AUXMWYGNRSBKLP-MRXNPFEDSA-N 1 1 298.386 3.139 20 10 CGCDMO C[C@H]1C(=O)CC[N@@H+](Cc2ccccc2O)C12CCCC2 ZINC001203562060 812394837 /nfs/dbraw/zinc/39/48/37/812394837.db2.gz CJNCLEMLWBBMRI-ZDUSSCGKSA-N 1 1 273.376 3.116 20 10 CGCDMO COc1cccc(C[N@H+]2CCCC[C@](C)(F)C2)c1O ZINC001203585619 812400463 /nfs/dbraw/zinc/40/04/63/812400463.db2.gz QUJAXHVFCZQXJC-HNNXBMFYSA-N 1 1 267.344 3.115 20 10 CGCDMO COc1ccc(C[N@H+]2CC[C@@H](C)C(F)(F)CC2)c(O)c1 ZINC001203621431 812409520 /nfs/dbraw/zinc/40/95/20/812409520.db2.gz TXXHNXNHKWUUIE-LLVKDONJSA-N 1 1 285.334 3.268 20 10 CGCDMO COc1ccc(C[N@@H+](C)CCc2ccccc2F)c(O)c1 ZINC001203634799 812412823 /nfs/dbraw/zinc/41/28/23/812412823.db2.gz WAOFOYLHMWBYLJ-UHFFFAOYSA-N 1 1 289.350 3.214 20 10 CGCDMO COc1ccc(C[N@H+](C)Cc2cccc(F)c2F)c(O)c1 ZINC001203634397 812412927 /nfs/dbraw/zinc/41/29/27/812412927.db2.gz DDIPLYQTETWSGC-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2cccc(F)c2F)c(O)c1 ZINC001203634397 812412929 /nfs/dbraw/zinc/41/29/29/812412929.db2.gz DDIPLYQTETWSGC-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C2(CC2)C1 ZINC001203664435 812422731 /nfs/dbraw/zinc/42/27/31/812422731.db2.gz FEWWSCKHWCNDCO-SNVBAGLBSA-N 1 1 251.757 3.420 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@](C)(F)CC2)c1 ZINC001203670527 812425955 /nfs/dbraw/zinc/42/59/55/812425955.db2.gz SMCMDIDVYXBMEJ-OAHLLOKOSA-N 1 1 267.344 3.115 20 10 CGCDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203875617 812478773 /nfs/dbraw/zinc/47/87/73/812478773.db2.gz RZNNKOMKVOSGSL-GFCCVEGCSA-N 1 1 269.344 3.217 20 10 CGCDMO Oc1ccc(C[N@H+]2CCCC3(CCCC3)C2)cc1O ZINC001203874836 812478821 /nfs/dbraw/zinc/47/88/21/812478821.db2.gz DDIVTJLZDQJAHM-UHFFFAOYSA-N 1 1 261.365 3.254 20 10 CGCDMO Oc1ccc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)cc1O ZINC001203882738 812479619 /nfs/dbraw/zinc/47/96/19/812479619.db2.gz TUXBBAJWTDTKSS-CYBMUJFWSA-N 1 1 287.334 3.226 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)N(C)[C@@H](C)C2)cc1 ZINC001203941933 812497141 /nfs/dbraw/zinc/49/71/41/812497141.db2.gz HTOLMTJYTXVFBF-IYBDPMFKSA-N 1 1 289.467 3.057 20 10 CGCDMO CCN(CC)c1ccc(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1 ZINC001203941933 812497145 /nfs/dbraw/zinc/49/71/45/812497145.db2.gz HTOLMTJYTXVFBF-IYBDPMFKSA-N 1 1 289.467 3.057 20 10 CGCDMO CCN(CC)c1ccc(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1 ZINC001203941933 812497150 /nfs/dbraw/zinc/49/71/50/812497150.db2.gz HTOLMTJYTXVFBF-IYBDPMFKSA-N 1 1 289.467 3.057 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCCC[C@](C)(O)C2)cc1 ZINC001203937418 812498175 /nfs/dbraw/zinc/49/81/75/812498175.db2.gz YJFDNLPGMDACTB-SFHVURJKSA-N 1 1 290.451 3.270 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCOCC2)c2ccccc21 ZINC001204233338 812579800 /nfs/dbraw/zinc/57/98/00/812579800.db2.gz QCKTVZJLMVBYME-UHFFFAOYSA-N 1 1 284.403 3.128 20 10 CGCDMO COC[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204232982 812580441 /nfs/dbraw/zinc/58/04/41/812580441.db2.gz MOLIDAFYCFRNOO-OAHLLOKOSA-N 1 1 298.430 3.374 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)[C@H]2CCOC2)c2ccccc21 ZINC001204241014 812584034 /nfs/dbraw/zinc/58/40/34/812584034.db2.gz RGTLJNQPIUBSPO-HNNXBMFYSA-N 1 1 284.403 3.127 20 10 CGCDMO Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(O)cc2O)cn1 ZINC001204279642 812593599 /nfs/dbraw/zinc/59/35/99/812593599.db2.gz DMBYYEQUPDXXDJ-INIZCTEOSA-N 1 1 284.359 3.138 20 10 CGCDMO CCC(CC)[N@@H+](CCOC)Cc1cc(F)c(F)cc1[O-] ZINC001204314932 812609774 /nfs/dbraw/zinc/60/97/74/812609774.db2.gz RYKLLGUVBGHASY-UHFFFAOYSA-N 1 1 287.350 3.307 20 10 CGCDMO CCC(CC)[N@H+](CCOC)Cc1cc(F)c(F)cc1O ZINC001204314932 812609779 /nfs/dbraw/zinc/60/97/79/812609779.db2.gz RYKLLGUVBGHASY-UHFFFAOYSA-N 1 1 287.350 3.307 20 10 CGCDMO CCC(CC)[N@@H+](CCOC)Cc1cc(F)c(F)cc1O ZINC001204314932 812609781 /nfs/dbraw/zinc/60/97/81/812609781.db2.gz RYKLLGUVBGHASY-UHFFFAOYSA-N 1 1 287.350 3.307 20 10 CGCDMO COc1cc(C[N@H+]2CCCc3ccccc3C2)cc(O)c1O ZINC001204345472 812616733 /nfs/dbraw/zinc/61/67/33/812616733.db2.gz STUSCQPCRGQFLU-UHFFFAOYSA-N 1 1 299.370 3.055 20 10 CGCDMO CCc1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)o1 ZINC001204394283 812628092 /nfs/dbraw/zinc/62/80/92/812628092.db2.gz AETVPKDDBJOWFR-UHFFFAOYSA-N 1 1 287.359 3.202 20 10 CGCDMO CCc1ccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)o1 ZINC001204394283 812628095 /nfs/dbraw/zinc/62/80/95/812628095.db2.gz AETVPKDDBJOWFR-UHFFFAOYSA-N 1 1 287.359 3.202 20 10 CGCDMO CCCCCOC1C[NH+](Cc2ccc(N(C)C)cc2C)C1 ZINC001206175077 813225948 /nfs/dbraw/zinc/22/59/48/813225948.db2.gz YJZNWCJQUUVHIO-UHFFFAOYSA-N 1 1 290.451 3.452 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cncc(C)c1 ZINC001207162323 813502865 /nfs/dbraw/zinc/50/28/65/813502865.db2.gz ZSAUBTKPTVWMTE-UHFFFAOYSA-N 1 1 283.419 3.478 20 10 CGCDMO C[N@@H+]1CC=C(Nc2ccccc2Cc2ccc(N)cc2)CC1 ZINC001208910587 813895930 /nfs/dbraw/zinc/89/59/30/813895930.db2.gz PJJFYGBPKBJVBJ-UHFFFAOYSA-N 1 1 293.414 3.491 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC001209517177 814070513 /nfs/dbraw/zinc/07/05/13/814070513.db2.gz ABTBEXULWLWTHG-ZWKOTPCHSA-N 1 1 282.387 3.067 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC001209517177 814070520 /nfs/dbraw/zinc/07/05/20/814070520.db2.gz ABTBEXULWLWTHG-ZWKOTPCHSA-N 1 1 282.387 3.067 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)cc1 ZINC001209516771 814071345 /nfs/dbraw/zinc/07/13/45/814071345.db2.gz NYWZZNGIFDWKFS-KUHUBIRLSA-N 1 1 298.430 3.297 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)cc1 ZINC001209516171 814071967 /nfs/dbraw/zinc/07/19/67/814071967.db2.gz BOUUDOPPTLAOHE-IFXJQAMLSA-N 1 1 298.430 3.297 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1OCc1ccc(N)cc1 ZINC001217938750 816006221 /nfs/dbraw/zinc/00/62/21/816006221.db2.gz HCXVSXAILHHNPZ-KXBFYZLASA-N 1 1 296.414 3.306 20 10 CGCDMO COCC[C@@H]1CCCC[N@H+]1Cc1c(C)cc(C)cc1O ZINC001231844124 818185619 /nfs/dbraw/zinc/18/56/19/818185619.db2.gz HCMCGEJPRSPOEJ-HNNXBMFYSA-N 1 1 277.408 3.400 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@@](C)(CF)C2)c(O)c1 ZINC001231841363 818185859 /nfs/dbraw/zinc/18/58/59/818185859.db2.gz APFVSHRHNCGARA-HNNXBMFYSA-N 1 1 251.345 3.191 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCc3ncsc3C2)c(O)c1 ZINC001231846212 818187106 /nfs/dbraw/zinc/18/71/06/818187106.db2.gz IAJWVAHLESGXSS-UHFFFAOYSA-N 1 1 274.389 3.024 20 10 CGCDMO Cc1cc(C)c(C[N@H+](C)CC(=O)c2ccccc2)c(O)c1 ZINC001231849896 818188549 /nfs/dbraw/zinc/18/85/49/818188549.db2.gz UVJKEPSRPXJILD-UHFFFAOYSA-N 1 1 283.371 3.324 20 10 CGCDMO Cc1cc(C)c(C[N@@H+](C)CC(=O)c2ccccc2)c(O)c1 ZINC001231849896 818188554 /nfs/dbraw/zinc/18/85/54/818188554.db2.gz UVJKEPSRPXJILD-UHFFFAOYSA-N 1 1 283.371 3.324 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCc2ccccc2C1 ZINC001231849806 818188971 /nfs/dbraw/zinc/18/89/71/818188971.db2.gz ZSGQRTRSNGGSMD-UHFFFAOYSA-N 1 1 296.414 3.320 20 10 CGCDMO CC[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1OC ZINC001231853450 818189132 /nfs/dbraw/zinc/18/91/32/818189132.db2.gz KIJHDIREMMXCCY-CQSZACIVSA-N 1 1 262.397 3.136 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](C)C[C@@H]1C ZINC001231853787 818189264 /nfs/dbraw/zinc/18/92/64/818189264.db2.gz RITHOMNHNTYPME-KBPBESRZSA-N 1 1 276.424 3.382 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)cc1Cl ZINC001231867004 818192316 /nfs/dbraw/zinc/19/23/16/818192316.db2.gz GLDHFTPGXGEQAU-SKDRFNHKSA-N 1 1 257.736 3.144 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCO[C@H](C(C)C)C2)cc1Cl ZINC001231869943 818193054 /nfs/dbraw/zinc/19/30/54/818193054.db2.gz BHGAXQVRVPUVLH-HNNXBMFYSA-N 1 1 283.799 3.211 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@H](C(C)C)C2)cc1Cl ZINC001231869943 818193057 /nfs/dbraw/zinc/19/30/57/818193057.db2.gz BHGAXQVRVPUVLH-HNNXBMFYSA-N 1 1 283.799 3.211 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)CC[C@H]1O ZINC001231879371 818199067 /nfs/dbraw/zinc/19/90/67/818199067.db2.gz CYPPANYXRFKGNU-CXAGYDPISA-N 1 1 285.387 3.138 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)CCC1=O ZINC001231879556 818199257 /nfs/dbraw/zinc/19/92/57/818199257.db2.gz IIHCFDGCOYLIPH-CYBMUJFWSA-N 1 1 283.371 3.346 20 10 CGCDMO Oc1c(C[N@H+]2CCn3cccc3C2)ccc2ccccc21 ZINC001231881689 818199786 /nfs/dbraw/zinc/19/97/86/818199786.db2.gz GTUXPMVCHTXHSG-UHFFFAOYSA-N 1 1 278.355 3.363 20 10 CGCDMO CC(C)[N@@H+](C)[C@H]1CCN(Cc2ccc3ccccc3c2O)C1 ZINC001231883313 818201378 /nfs/dbraw/zinc/20/13/78/818201378.db2.gz OAHGCCFVLKYEND-KRWDZBQOSA-N 1 1 298.430 3.460 20 10 CGCDMO CC(C)N(C)[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231883313 818201385 /nfs/dbraw/zinc/20/13/85/818201385.db2.gz OAHGCCFVLKYEND-KRWDZBQOSA-N 1 1 298.430 3.460 20 10 CGCDMO CC(C)N(C)[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231883313 818201391 /nfs/dbraw/zinc/20/13/91/818201391.db2.gz OAHGCCFVLKYEND-KRWDZBQOSA-N 1 1 298.430 3.460 20 10 CGCDMO C[N@@H+](Cc1ccnc(C(F)F)c1)Cc1ccccc1O ZINC001231892785 818205260 /nfs/dbraw/zinc/20/52/60/818205260.db2.gz JMIVKWLYCDFHAH-UHFFFAOYSA-N 1 1 278.302 3.357 20 10 CGCDMO CC[N@@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)C1CC1 ZINC001232198438 818274656 /nfs/dbraw/zinc/27/46/56/818274656.db2.gz RNKYKHOANVZIDP-UHFFFAOYSA-N 1 1 294.826 3.161 20 10 CGCDMO CSc1ccc(C[N@@H+](C)Cc2ccccc2O)cn1 ZINC001232333047 818316806 /nfs/dbraw/zinc/31/68/06/818316806.db2.gz OJVGYZWXIOTXAD-UHFFFAOYSA-N 1 1 274.389 3.141 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c(C)n1 ZINC001232338630 818320122 /nfs/dbraw/zinc/32/01/22/818320122.db2.gz ZLRFBXWQQFMIDI-UHFFFAOYSA-N 1 1 299.418 3.097 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1cc3ccoc3cn1)CC2 ZINC001232554422 818385100 /nfs/dbraw/zinc/38/51/00/818385100.db2.gz VBUFJYZEOVHWPA-UHFFFAOYSA-N 1 1 280.327 3.092 20 10 CGCDMO CCOc1ccnc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC001232587633 818392644 /nfs/dbraw/zinc/39/26/44/818392644.db2.gz JDIKWTYSMFPBSS-UHFFFAOYSA-N 1 1 299.418 3.178 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(F)cc2)c(O)c1 ZINC001232834705 818451851 /nfs/dbraw/zinc/45/18/51/818451851.db2.gz JXWUDQPXXVZMPW-UHFFFAOYSA-N 1 1 288.366 3.229 20 10 CGCDMO CC(C)N1CC[NH+](Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001233283802 818565203 /nfs/dbraw/zinc/56/52/03/818565203.db2.gz WLSYEBPNFHGKPY-UHFFFAOYSA-N 1 1 290.451 3.216 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@H](F)C2)c1 ZINC001233284027 818565345 /nfs/dbraw/zinc/56/53/45/818565345.db2.gz FBSSOBLTWCFDBS-ZDUSSCGKSA-N 1 1 251.345 3.234 20 10 CGCDMO C[N@@H+](Cc1cc(C(C)(C)C)ccc1O)C1CCOCC1 ZINC001233284188 818565385 /nfs/dbraw/zinc/56/53/85/818565385.db2.gz LPFYHUBRYWHXEM-UHFFFAOYSA-N 1 1 277.408 3.301 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C[C@@]1(C)O ZINC001233284063 818566292 /nfs/dbraw/zinc/56/62/92/818566292.db2.gz GWADBHQPBBMFQQ-FZKQIMNGSA-N 1 1 291.435 3.283 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@]3(CCOC3)C2)c1 ZINC001233283994 818566498 /nfs/dbraw/zinc/56/64/98/818566498.db2.gz DGCSKBXAOJLGHR-SFHVURJKSA-N 1 1 289.419 3.302 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@@H+](C2CC2)C2COC2)c1 ZINC001233286103 818567225 /nfs/dbraw/zinc/56/72/25/818567225.db2.gz FQBRUDBNKNLJKQ-UHFFFAOYSA-N 1 1 275.392 3.053 20 10 CGCDMO C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233284335 818568538 /nfs/dbraw/zinc/56/85/38/818568538.db2.gz QSUCJBKWZRSUSX-KGLIPLIRSA-N 1 1 291.435 3.283 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC001233334283 818583929 /nfs/dbraw/zinc/58/39/29/818583929.db2.gz ANALTIHAEKXZNB-LLVKDONJSA-N 1 1 290.313 3.055 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC001233334283 818583937 /nfs/dbraw/zinc/58/39/37/818583937.db2.gz ANALTIHAEKXZNB-LLVKDONJSA-N 1 1 290.313 3.055 20 10 CGCDMO Cc1ccc(CN(C)Cc2c([O-])ccc(F)c2F)cn1 ZINC001233336082 818588424 /nfs/dbraw/zinc/58/84/24/818588424.db2.gz XZYCMXPXPPGGOY-UHFFFAOYSA-N 1 1 278.302 3.006 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233451992 818623280 /nfs/dbraw/zinc/62/32/80/818623280.db2.gz HIPFFLTZSAFFSP-VIFPVBQESA-N 1 1 259.271 3.253 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C[C@@H]1F ZINC001233452264 818623305 /nfs/dbraw/zinc/62/33/05/818623305.db2.gz PKZOBWFDLVGYKK-KCJUWKMLSA-N 1 1 277.261 3.201 20 10 CGCDMO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCn2cccc2C1 ZINC001233454389 818623491 /nfs/dbraw/zinc/62/34/91/818623491.db2.gz SUSWBCCQWSQSLA-UHFFFAOYSA-N 1 1 296.292 3.228 20 10 CGCDMO Oc1cc(C(F)(F)F)ccc1C[N@H+]1CCn2cccc2C1 ZINC001233454389 818623493 /nfs/dbraw/zinc/62/34/93/818623493.db2.gz SUSWBCCQWSQSLA-UHFFFAOYSA-N 1 1 296.292 3.228 20 10 CGCDMO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233726254 818691926 /nfs/dbraw/zinc/69/19/26/818691926.db2.gz BIWWJYCRWBYQPF-PSASIEDQSA-N 1 1 293.260 3.223 20 10 CGCDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234992990 818970784 /nfs/dbraw/zinc/97/07/84/818970784.db2.gz UMMXZUSHAADCFK-CZUORRHYSA-N 1 1 283.371 3.014 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CCCC[C@@H]2CO)c(O)c1 ZINC001235674920 819135762 /nfs/dbraw/zinc/13/57/62/819135762.db2.gz IXMSBAPZXHWLHQ-OAHLLOKOSA-N 1 1 277.408 3.037 20 10 CGCDMO CN1CCC([N@@H+](C)Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235676962 819137077 /nfs/dbraw/zinc/13/70/77/819137077.db2.gz YSGCROZOLJHHOE-UHFFFAOYSA-N 1 1 290.451 3.216 20 10 CGCDMO CC[N@@H+](CCC(=O)OC)Cc1ccc(C(C)(C)C)cc1O ZINC001235682699 819142627 /nfs/dbraw/zinc/14/26/27/819142627.db2.gz ZLXVEXSKJJUONW-UHFFFAOYSA-N 1 1 293.407 3.075 20 10 CGCDMO CC[C@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2O)CCN1 ZINC001235730592 819156229 /nfs/dbraw/zinc/15/62/29/819156229.db2.gz OJIOPRVCQZYINA-KRWDZBQOSA-N 1 1 296.414 3.243 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2O)CCN1 ZINC001235730592 819156231 /nfs/dbraw/zinc/15/62/31/819156231.db2.gz OJIOPRVCQZYINA-KRWDZBQOSA-N 1 1 296.414 3.243 20 10 CGCDMO CC(C)c1ccc(CN(C)[C@@H]2CCCC[C@H]2[NH3+])c(O)c1 ZINC001236219219 819387076 /nfs/dbraw/zinc/38/70/76/819387076.db2.gz USHJFGABQXOEIQ-HZPDHXFCSA-N 1 1 276.424 3.217 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H]2C)c1 ZINC001236662400 819566348 /nfs/dbraw/zinc/56/63/48/819566348.db2.gz DKKMIYLPARPRTC-VIFPVBQESA-N 1 1 270.170 3.057 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H]2C)c1 ZINC001236662400 819566350 /nfs/dbraw/zinc/56/63/50/819566350.db2.gz DKKMIYLPARPRTC-VIFPVBQESA-N 1 1 270.170 3.057 20 10 CGCDMO CC[C@@H](C)[N@@H+](C)Cc1cc(O)c(Br)cc1O ZINC001236765313 819591622 /nfs/dbraw/zinc/59/16/22/819591622.db2.gz CACYQZZBMQSSDB-MRVPVSSYSA-N 1 1 288.185 3.091 20 10 CGCDMO CC[C@@H](C)[N@@H+](C)Cc1c(O)cc(OC)cc1Cl ZINC001236796433 819596332 /nfs/dbraw/zinc/59/63/32/819596332.db2.gz VUKGFBMJWKOUMT-SECBINFHSA-N 1 1 257.761 3.285 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](CF)C2)c(Cl)c1 ZINC001236800580 819599543 /nfs/dbraw/zinc/59/95/43/819599543.db2.gz ABYVUCVXLYWGTC-JTQLQIEISA-N 1 1 287.762 3.236 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC[C@@H]2c2ccccn2)c(O)c1 ZINC001236812362 819604997 /nfs/dbraw/zinc/60/49/97/819604997.db2.gz CYRWXRUKCMQWTI-QGZVFWFLSA-N 1 1 298.386 3.441 20 10 CGCDMO CCC[N@H+](Cc1c(C)cc(OC)cc1O)CC1CC1 ZINC001236819110 819606515 /nfs/dbraw/zinc/60/65/15/819606515.db2.gz TWNNRBABXPETIM-UHFFFAOYSA-N 1 1 263.381 3.331 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@H+]1CCCC2(COC2)C1 ZINC001236826848 819609671 /nfs/dbraw/zinc/60/96/71/819609671.db2.gz OHMGAYRZBJZTQU-UHFFFAOYSA-N 1 1 283.371 3.158 20 10 CGCDMO CN1C[C@H]2CCC[N@@H+](Cc3cc4ccccc4cc3O)[C@@H]2C1 ZINC001236833171 819612707 /nfs/dbraw/zinc/61/27/07/819612707.db2.gz PDXBOYOGDWLDRE-SJLPKXTDSA-N 1 1 296.414 3.071 20 10 CGCDMO C[N@@H+]1C[C@H]2CCCN(Cc3cc4ccccc4cc3O)[C@@H]2C1 ZINC001236833171 819612708 /nfs/dbraw/zinc/61/27/08/819612708.db2.gz PDXBOYOGDWLDRE-SJLPKXTDSA-N 1 1 296.414 3.071 20 10 CGCDMO C[N@H+]1C[C@H]2CCCN(Cc3cc4ccccc4cc3O)[C@@H]2C1 ZINC001236833171 819612712 /nfs/dbraw/zinc/61/27/12/819612712.db2.gz PDXBOYOGDWLDRE-SJLPKXTDSA-N 1 1 296.414 3.071 20 10 CGCDMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1cc2ccccc2cc1O ZINC001236834435 819613160 /nfs/dbraw/zinc/61/31/60/819613160.db2.gz ZEVBBBDMVQQDJU-QGZVFWFLSA-N 1 1 285.387 3.281 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2O)[C@H](C)CO1 ZINC001236837612 819617099 /nfs/dbraw/zinc/61/70/99/819617099.db2.gz REBHQOMGQCIVKL-CHWSQXEVSA-N 1 1 271.360 3.155 20 10 CGCDMO CCOc1cncc(C[N@@H+](CC)Cc2ccccc2O)c1 ZINC001236845918 819620294 /nfs/dbraw/zinc/62/02/94/819620294.db2.gz POQAPFONCUXJFB-UHFFFAOYSA-N 1 1 286.375 3.208 20 10 CGCDMO CCC[N@@H+](Cc1cc2ccccc2cc1[O-])C[C@H]1CC[NH2+]C1 ZINC001236844552 819620421 /nfs/dbraw/zinc/62/04/21/819620421.db2.gz WCTHQBVLQDOFFU-HNNXBMFYSA-N 1 1 298.430 3.367 20 10 CGCDMO CCC[N@H+](Cc1cc2ccccc2cc1[O-])C[C@H]1CC[NH2+]C1 ZINC001236844552 819620424 /nfs/dbraw/zinc/62/04/24/819620424.db2.gz WCTHQBVLQDOFFU-HNNXBMFYSA-N 1 1 298.430 3.367 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CC[C@](C)(O)[C@H](C)C2)c(O)c1 ZINC001237046743 819650145 /nfs/dbraw/zinc/65/01/45/819650145.db2.gz WTDNFSZASYNVLD-DYVFJYSZSA-N 1 1 277.408 3.108 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCN(C)C(C)(C)C2)c(O)c1 ZINC001237048092 819652931 /nfs/dbraw/zinc/65/29/31/819652931.db2.gz CSOROPRCUZLNMU-UHFFFAOYSA-N 1 1 276.424 3.042 20 10 CGCDMO CC(C)c1ccc(CN2CC[N@H+](C)C(C)(C)C2)c(O)c1 ZINC001237048092 819652934 /nfs/dbraw/zinc/65/29/34/819652934.db2.gz CSOROPRCUZLNMU-UHFFFAOYSA-N 1 1 276.424 3.042 20 10 CGCDMO CC(C)c1ccc(CN2CC[N@@H+](C)C(C)(C)C2)c(O)c1 ZINC001237048092 819652936 /nfs/dbraw/zinc/65/29/36/819652936.db2.gz CSOROPRCUZLNMU-UHFFFAOYSA-N 1 1 276.424 3.042 20 10 CGCDMO CCN1CCC([N@@H+](C)Cc2ccc(C(C)C)cc2O)CC1 ZINC001237054286 819653750 /nfs/dbraw/zinc/65/37/50/819653750.db2.gz UPJVMKUUYARILS-UHFFFAOYSA-N 1 1 290.451 3.432 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C)c(O)c1 ZINC001237056330 819655376 /nfs/dbraw/zinc/65/53/76/819655376.db2.gz YDMZGTFTLRXLDP-SJORKVTESA-N 1 1 288.435 3.184 20 10 CGCDMO CC(C)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(O)c1 ZINC001237056330 819655378 /nfs/dbraw/zinc/65/53/78/819655378.db2.gz YDMZGTFTLRXLDP-SJORKVTESA-N 1 1 288.435 3.184 20 10 CGCDMO CC(C)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c(O)c1 ZINC001237056330 819655383 /nfs/dbraw/zinc/65/53/83/819655383.db2.gz YDMZGTFTLRXLDP-SJORKVTESA-N 1 1 288.435 3.184 20 10 CGCDMO Oc1ccc(Cl)c(Cl)c1C[N@H+]1CCC[C@@H](O)CC1 ZINC001237077399 819660902 /nfs/dbraw/zinc/66/09/02/819660902.db2.gz HFJGTHDWGTZQJK-SECBINFHSA-N 1 1 290.190 3.046 20 10 CGCDMO Oc1ccc(Cl)c(Cl)c1C[N@@H+]1CCC[C@@H](O)CC1 ZINC001237077399 819660905 /nfs/dbraw/zinc/66/09/05/819660905.db2.gz HFJGTHDWGTZQJK-SECBINFHSA-N 1 1 290.190 3.046 20 10 CGCDMO Oc1ccc(F)c(Cl)c1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC001237124962 819673132 /nfs/dbraw/zinc/67/31/32/819673132.db2.gz TZNNHBKKCDLWSP-OAHLLOKOSA-N 1 1 299.773 3.187 20 10 CGCDMO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(C(F)(F)F)ccc1O ZINC001237138177 819674958 /nfs/dbraw/zinc/67/49/58/819674958.db2.gz VJPUQUURDJKHIM-KCJUWKMLSA-N 1 1 277.261 3.343 20 10 CGCDMO C[C@@H]1C[C@H](F)C[N@H+]1Cc1cc(C(F)(F)F)ccc1O ZINC001237138177 819674963 /nfs/dbraw/zinc/67/49/63/819674963.db2.gz VJPUQUURDJKHIM-KCJUWKMLSA-N 1 1 277.261 3.343 20 10 CGCDMO COC[C@H]1CCC[N@H+]1Cc1cc(C(F)(F)F)ccc1O ZINC001237134986 819675055 /nfs/dbraw/zinc/67/50/55/819675055.db2.gz DTRREIRGEFBAKM-GFCCVEGCSA-N 1 1 289.297 3.022 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@H+]1CCNC2=CCCC[C@@H]21 ZINC001237232101 819709220 /nfs/dbraw/zinc/70/92/20/819709220.db2.gz ZXKFSMKYYDUGQL-SFHVURJKSA-N 1 1 294.398 3.387 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c1O ZINC001237679243 819805589 /nfs/dbraw/zinc/80/55/89/819805589.db2.gz HCAYVEOPNFOCPD-SLEUVZQESA-N 1 1 295.810 3.353 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001237941035 819888577 /nfs/dbraw/zinc/88/85/77/819888577.db2.gz FVLIECHURLGMHJ-MEBBXXQBSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001237941035 819888588 /nfs/dbraw/zinc/88/85/88/819888588.db2.gz FVLIECHURLGMHJ-MEBBXXQBSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[NH+]1CCC2(CCOC2)CC1 ZINC001237935224 819890487 /nfs/dbraw/zinc/89/04/87/819890487.db2.gz RXUPNLTZWSBLOS-UHFFFAOYSA-N 1 1 299.773 3.187 20 10 CGCDMO Cc1sccc1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001237968221 819898725 /nfs/dbraw/zinc/89/87/25/819898725.db2.gz KZGBEQAJGNUSGP-UHFFFAOYSA-N 1 1 289.400 3.416 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CCc3cc(O)ccc3C2)c1O ZINC001238065698 819919925 /nfs/dbraw/zinc/91/99/25/819919925.db2.gz YZPMNXLLUWLEDE-UHFFFAOYSA-N 1 1 287.334 3.104 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CCC[C@@H](F)CC2)c1O ZINC001238058700 819921015 /nfs/dbraw/zinc/92/10/15/819921015.db2.gz VARBBEMNWMHNDU-GFCCVEGCSA-N 1 1 255.308 3.164 20 10 CGCDMO C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC001345481974 936812013 /nfs/dbraw/zinc/81/20/13/936812013.db2.gz JDFKJARRRVBXTL-CHWSQXEVSA-N 1 1 272.392 3.194 20 10 CGCDMO COc1cc(C[N@@H+](Cc2ccc(N)cc2)C2CC2)ccc1O ZINC001356083051 937152928 /nfs/dbraw/zinc/15/29/28/937152928.db2.gz IMRGRMVPTWNWGO-UHFFFAOYSA-N 1 1 298.386 3.148 20 10 CGCDMO [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC001474577070 937206910 /nfs/dbraw/zinc/20/69/10/937206910.db2.gz YEYMZDOSPCSURK-OAHLLOKOSA-N 1 1 299.386 3.390 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC001474577070 937206912 /nfs/dbraw/zinc/20/69/12/937206912.db2.gz YEYMZDOSPCSURK-OAHLLOKOSA-N 1 1 299.386 3.390 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC001474577070 937206914 /nfs/dbraw/zinc/20/69/14/937206914.db2.gz YEYMZDOSPCSURK-OAHLLOKOSA-N 1 1 299.386 3.390 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+]C[C@@H]1CCCC12CC2 ZINC001462483550 928792984 /nfs/dbraw/zinc/79/29/84/928792984.db2.gz ISEGNOVKFGXLGH-NSHDSACASA-N 1 1 267.319 3.340 20 10 CGCDMO Cn1c[nH+]c2cc(NCc3cccc4n[nH]cc43)ccc21 ZINC001461295218 937575439 /nfs/dbraw/zinc/57/54/39/937575439.db2.gz YDQLNAONSRUGCW-UHFFFAOYSA-N 1 1 277.331 3.062 20 10 CGCDMO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1c(O)cccc1F ZINC001331704772 932714831 /nfs/dbraw/zinc/71/48/31/932714831.db2.gz YSTNPPSYDPBWAY-QWRGUYRKSA-N 1 1 297.370 3.302 20 10 CGCDMO COc1ccc(N(C)CC[N@@H+](C)CCc2ccccc2)cc1 ZINC001307898051 933017310 /nfs/dbraw/zinc/01/73/10/933017310.db2.gz WRYHQTKLPVQSRB-UHFFFAOYSA-N 1 1 298.430 3.306 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC001308159641 933061115 /nfs/dbraw/zinc/06/11/15/933061115.db2.gz JKDUQQLVFFGMBA-MSOLQXFVSA-N 1 1 288.435 3.286 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCO2)cc1 ZINC001308159642 933062113 /nfs/dbraw/zinc/06/21/13/933062113.db2.gz JKDUQQLVFFGMBA-QZTJIDSGSA-N 1 1 288.435 3.286 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)CCC(C)C)c(O)c1 ZINC001308614198 933142751 /nfs/dbraw/zinc/14/27/51/933142751.db2.gz OMUGWKSMVBUBEL-UHFFFAOYSA-N 1 1 251.370 3.187 20 10 CGCDMO CC(C)c1ccc(O)c(C[NH+]2CCN(C(C)(C)C)CC2)c1 ZINC001308612515 933143052 /nfs/dbraw/zinc/14/30/52/933143052.db2.gz YSWGDCIMDVOEAL-UHFFFAOYSA-N 1 1 290.451 3.432 20 10 CGCDMO CC[C@@H]1C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)[C@H](C)CO1 ZINC001308848295 933188893 /nfs/dbraw/zinc/18/88/93/933188893.db2.gz KZELVXRUAPKCRN-QNRLHKFMSA-N 1 1 288.435 3.265 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)CCN2CCCCC2)cc1Cl ZINC001308845964 933189198 /nfs/dbraw/zinc/18/91/98/933189198.db2.gz WWFBRMDSFIEZTR-UHFFFAOYSA-N 1 1 296.842 3.272 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)CCN2CCCCC2)cc1Cl ZINC001308845964 933189200 /nfs/dbraw/zinc/18/92/00/933189200.db2.gz WWFBRMDSFIEZTR-UHFFFAOYSA-N 1 1 296.842 3.272 20 10 CGCDMO CCN1CCC[C@@H](C[NH2+][C@H](C)c2ccc(N(C)C)cc2)C1 ZINC001333421004 935535122 /nfs/dbraw/zinc/53/51/22/935535122.db2.gz IXGBRDXXMOSWPF-CVEARBPZSA-N 1 1 289.467 3.135 20 10 CGCDMO COc1cccc([C@]2(C)CC[N@@H+](Cc3ccc(N)cc3)C2)c1 ZINC001335287759 936137218 /nfs/dbraw/zinc/13/72/18/936137218.db2.gz AQOIJVFTSKHJKY-LJQANCHMSA-N 1 1 296.414 3.441 20 10 CGCDMO Nc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC001336116209 936175894 /nfs/dbraw/zinc/17/58/94/936175894.db2.gz CWWFRXJUWQLLGV-UHFFFAOYSA-N 1 1 297.358 3.342 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2C[C@@H](C)OCC[C@H]2C)cc1 ZINC001473893004 937827840 /nfs/dbraw/zinc/82/78/40/937827840.db2.gz IMOOJQSFLSUSLE-HUUCEWRRSA-N 1 1 276.424 3.142 20 10 CGCDMO Cc1cc(C[C@@H](C)[NH2+]Cc2c(C)c3ccccc3n2C)n[nH]1 ZINC001474069358 937838746 /nfs/dbraw/zinc/83/87/46/937838746.db2.gz SYTNPVFFPHUHNB-GFCCVEGCSA-N 1 1 296.418 3.239 20 10 CGCDMO CCc1ccc[nH+]c1NCc1ccc(N2CCOCC2)cc1 ZINC001474080427 937839533 /nfs/dbraw/zinc/83/95/33/937839533.db2.gz YDJOCMDGVBDDED-UHFFFAOYSA-N 1 1 297.402 3.093 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c1 ZINC001474369775 937855207 /nfs/dbraw/zinc/85/52/07/937855207.db2.gz MFFDFHZYCLJAJL-CJNGLKHVSA-N 1 1 277.408 3.251 20 10 CGCDMO CC[C@H]1C[N@H+](Cc2c(O)cc(C)cc2Cl)C[C@H](C)O1 ZINC001474382460 937856001 /nfs/dbraw/zinc/85/60/01/937856001.db2.gz KFLHATMBQKDNJN-RYUDHWBXSA-N 1 1 283.799 3.353 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2c(O)cc(C)cc2Cl)C[C@H](C)O1 ZINC001474382460 937856003 /nfs/dbraw/zinc/85/60/03/937856003.db2.gz KFLHATMBQKDNJN-RYUDHWBXSA-N 1 1 283.799 3.353 20 10 CGCDMO CCOC[C@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001474574709 937868168 /nfs/dbraw/zinc/86/81/68/937868168.db2.gz LGBOXWSANKGWIT-GFCCVEGCSA-N 1 1 285.334 3.061 20 10 CGCDMO CCOC[C@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001474574709 937868169 /nfs/dbraw/zinc/86/81/69/937868169.db2.gz LGBOXWSANKGWIT-GFCCVEGCSA-N 1 1 285.334 3.061 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H](C)OCC23CCC3)cc1Cl ZINC001474612713 937870189 /nfs/dbraw/zinc/87/01/89/937870189.db2.gz PLFXYMIURONESX-GFCCVEGCSA-N 1 1 295.810 3.497 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)OCC23CCC3)cc1Cl ZINC001474612713 937870190 /nfs/dbraw/zinc/87/01/90/937870190.db2.gz PLFXYMIURONESX-GFCCVEGCSA-N 1 1 295.810 3.497 20 10 CGCDMO CCc1cccc(C[N@H+](C)Cc2cc(OC)ns2)c1O ZINC001474723532 937877136 /nfs/dbraw/zinc/87/71/36/937877136.db2.gz HVLNEYVVHBFZSR-UHFFFAOYSA-N 1 1 292.404 3.052 20 10 CGCDMO CCc1cccc(C[N@@H+](C)Cc2cc(OC)ns2)c1O ZINC001474723532 937877137 /nfs/dbraw/zinc/87/71/37/937877137.db2.gz HVLNEYVVHBFZSR-UHFFFAOYSA-N 1 1 292.404 3.052 20 10 CGCDMO CN(C)c1ccc(/C=C/C[NH2+]Cc2ncccc2F)cc1 ZINC001560461979 938259198 /nfs/dbraw/zinc/25/91/98/938259198.db2.gz ZRCFNJZRIMZDJB-HWKANZROSA-N 1 1 285.366 3.090 20 10 CGCDMO CC1(C2([NH2+]Cc3ccc(Cl)cc3O)CC2)CC1 ZINC001560831851 938278387 /nfs/dbraw/zinc/27/83/87/938278387.db2.gz VNXXECBAEBAEJB-UHFFFAOYSA-N 1 1 251.757 3.468 20 10 CGCDMO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]Cc2c(O)cccc2F)C1 ZINC001561015813 938289602 /nfs/dbraw/zinc/28/96/02/938289602.db2.gz HZAFWWVUSRQLCL-GYSYKLTISA-N 1 1 251.345 3.446 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CC(C)(C)C[C@@H]2C)c(O)c1 ZINC001462352609 958815085 /nfs/dbraw/zinc/81/50/85/958815085.db2.gz YKAOPNYXIJZBCN-LBPRGKRZSA-N 1 1 263.381 3.330 20 10 CGCDMO COc1ccc(O)c([C@@H](C)NC[C@@H]([NH3+])CCC(C)(C)C)c1 ZINC001579230744 962622840 /nfs/dbraw/zinc/62/28/40/962622840.db2.gz YUGMBKUWUGVRJD-OLZOCXBDSA-N 1 1 294.439 3.205 20 10 CGCDMO CC(C)[NH+](CCN[C@@H](C)c1ccccc1O)C(C)C ZINC000019901021 368777475 /nfs/dbraw/zinc/77/74/75/368777475.db2.gz XFSPRVBFWHTBBZ-AWEZNQCLSA-N 1 1 264.413 3.162 20 10 CGCDMO CN(C)c1ccc(C[NH2+]C(C)(C)c2nccs2)cc1F ZINC000116380429 370558620 /nfs/dbraw/zinc/55/86/20/370558620.db2.gz DYZFKZHIEUSMQX-UHFFFAOYSA-N 1 1 293.411 3.373 20 10 CGCDMO COc1ccc(C)[nH+]c1NCc1cc(C)ccc1O ZINC000150987607 371554750 /nfs/dbraw/zinc/55/47/50/371554750.db2.gz AKRMADOPJDEMBM-UHFFFAOYSA-N 1 1 258.321 3.025 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(F)cc1O ZINC000159932284 372194042 /nfs/dbraw/zinc/19/40/42/372194042.db2.gz RVFNMFSVTNVUEV-ZYHUDNBSSA-N 1 1 267.344 3.140 20 10 CGCDMO CS[C@H](C)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293628685 372429531 /nfs/dbraw/zinc/42/95/31/372429531.db2.gz NAJBLOMEMNNKEP-SSDOTTSWSA-N 1 1 263.765 3.026 20 10 CGCDMO C[C@@H]([NH2+]CC1CC(F)(F)C1)c1ccc(F)cc1O ZINC000293785110 372481448 /nfs/dbraw/zinc/48/14/48/372481448.db2.gz UBRLYCAHJPMZRD-MRVPVSSYSA-N 1 1 259.271 3.227 20 10 CGCDMO CC[C@H](CSC)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000168862753 372621455 /nfs/dbraw/zinc/62/14/55/372621455.db2.gz BYDBDKGRPORQTP-MWLCHTKSSA-N 1 1 257.374 3.324 20 10 CGCDMO CO[C@H](Cc1ccccc1)C[N@@H+](C)Cc1ccccc1O ZINC000295021989 372686689 /nfs/dbraw/zinc/68/66/89/372686689.db2.gz UYMVFOSEDIMBKW-QGZVFWFLSA-N 1 1 285.387 3.082 20 10 CGCDMO CO[C@@H](Cc1ccccc1)C[N@@H+](C)Cc1ccccc1O ZINC000295021987 372687040 /nfs/dbraw/zinc/68/70/40/372687040.db2.gz UYMVFOSEDIMBKW-KRWDZBQOSA-N 1 1 285.387 3.082 20 10 CGCDMO Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccccc1O ZINC000179585896 373890578 /nfs/dbraw/zinc/89/05/78/373890578.db2.gz HEYHIXZJMCHTCG-UHFFFAOYSA-N 1 1 264.756 3.016 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](C)[C@H]2C)cc1OC ZINC000179942076 373944923 /nfs/dbraw/zinc/94/49/23/373944923.db2.gz RYLSGLCUACMSDD-NWDGAFQWSA-N 1 1 279.380 3.030 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCc2cc(F)ccc2C1 ZINC000181440830 374123185 /nfs/dbraw/zinc/12/31/85/374123185.db2.gz GIOOGFRTELIHOJ-UHFFFAOYSA-N 1 1 257.308 3.090 20 10 CGCDMO CCCOc1ccc(C[N@@H+](C)Cc2cccnc2)c(O)c1 ZINC000183660784 374440682 /nfs/dbraw/zinc/44/06/82/374440682.db2.gz HSIBZTJHQAKJGC-UHFFFAOYSA-N 1 1 286.375 3.208 20 10 CGCDMO CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2[O-])C1 ZINC000185358080 374646614 /nfs/dbraw/zinc/64/66/14/374646614.db2.gz AOGBEMOYYXGCTA-KBPBESRZSA-N 1 1 294.414 3.302 20 10 CGCDMO C[N@H+](Cc1ccn(C2CCCC2)n1)Cc1ccccc1O ZINC000268695989 378090816 /nfs/dbraw/zinc/09/08/16/378090816.db2.gz SZXLMHQAPQELQS-UHFFFAOYSA-N 1 1 285.391 3.336 20 10 CGCDMO C[N@@H+](Cc1ccn(C2CCCC2)n1)Cc1ccccc1O ZINC000268695989 378090827 /nfs/dbraw/zinc/09/08/27/378090827.db2.gz SZXLMHQAPQELQS-UHFFFAOYSA-N 1 1 285.391 3.336 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2cccc(C)c2)c1O ZINC000271039766 378435572 /nfs/dbraw/zinc/43/55/72/378435572.db2.gz HZKXVFRFKDESEA-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](COC)C2)cc1 ZINC000271214503 378484391 /nfs/dbraw/zinc/48/43/91/378484391.db2.gz ZKGSJUKPDAAGIH-INIZCTEOSA-N 1 1 276.424 3.001 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000272353626 378619245 /nfs/dbraw/zinc/61/92/45/378619245.db2.gz DNQCVEFOBUQCOU-CQSZACIVSA-N 1 1 299.374 3.032 20 10 CGCDMO C[C@@H](C[N@H+](C)Cc1cccc(F)c1O)c1nccs1 ZINC000273168726 378738004 /nfs/dbraw/zinc/73/80/04/378738004.db2.gz MAIYRGCQNTUDEH-JTQLQIEISA-N 1 1 280.368 3.223 20 10 CGCDMO C[C@@H](C[N@@H+](C)Cc1cccc(F)c1O)c1nccs1 ZINC000273168726 378738009 /nfs/dbraw/zinc/73/80/09/378738009.db2.gz MAIYRGCQNTUDEH-JTQLQIEISA-N 1 1 280.368 3.223 20 10 CGCDMO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)CN(C)C)c(O)c1C ZINC000273403668 378743384 /nfs/dbraw/zinc/74/33/84/378743384.db2.gz NWGIKNCILZWRSU-CQSZACIVSA-N 1 1 278.440 3.247 20 10 CGCDMO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)c(O)c1C ZINC000273439702 378745162 /nfs/dbraw/zinc/74/51/62/378745162.db2.gz YCESRJWEPVHWEZ-HUUCEWRRSA-N 1 1 288.435 3.144 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@]23CCOC3)c1O ZINC000375311329 379491285 /nfs/dbraw/zinc/49/12/85/379491285.db2.gz UGFFXLOKHSISMX-OAHLLOKOSA-N 1 1 281.783 3.109 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000376081367 379521815 /nfs/dbraw/zinc/52/18/15/379521815.db2.gz JUWOSDJRHUPRBD-GOSISDBHSA-N 1 1 283.371 3.156 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc(F)cc1O ZINC000286165549 380169280 /nfs/dbraw/zinc/16/92/80/380169280.db2.gz QBQZIUOASHKOAQ-IINYFYTJSA-N 1 1 277.343 3.067 20 10 CGCDMO CC[C@H]([NH2+]CC1(CCOC)CC1)c1ccc(F)cc1O ZINC000286172449 380170703 /nfs/dbraw/zinc/17/07/03/380170703.db2.gz PXCDWPJFLRTNBH-AWEZNQCLSA-N 1 1 281.371 3.389 20 10 CGCDMO CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2ccc(F)cc2[O-])C1 ZINC000286319110 380195215 /nfs/dbraw/zinc/19/52/15/380195215.db2.gz XNGVNUHWYSTCAO-XJKSGUPXSA-N 1 1 294.414 3.304 20 10 CGCDMO CC[C@H]([NH2+]Cc1cccnc1)c1ccc(F)cc1O ZINC000285816001 380152478 /nfs/dbraw/zinc/15/24/78/380152478.db2.gz WCTXSZPBACCMNU-AWEZNQCLSA-N 1 1 260.312 3.167 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000365624085 382290617 /nfs/dbraw/zinc/29/06/17/382290617.db2.gz SITTXTURUONFQG-IAGOWNOFSA-N 1 1 287.403 3.234 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@H]3CC[C@@H]2C3)c1O ZINC000184682408 262291282 /nfs/dbraw/zinc/29/12/82/262291282.db2.gz HJAOJJNYGLSQRM-JOYOIKCWSA-N 1 1 267.756 3.039 20 10 CGCDMO CCCOc1ccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)c(O)c1 ZINC000282206881 392284630 /nfs/dbraw/zinc/28/46/30/392284630.db2.gz HDKRDBSTLNTTQX-DZGCQCFKSA-N 1 1 293.407 3.180 20 10 CGCDMO CCSCC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000119487157 392396470 /nfs/dbraw/zinc/39/64/70/392396470.db2.gz AHUWJBMNRULEDZ-OAHLLOKOSA-N 1 1 295.448 3.126 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC3(CCC3)C2)c1O ZINC000123576198 392429693 /nfs/dbraw/zinc/42/96/93/392429693.db2.gz KSEUPZFOIDBSPG-UHFFFAOYSA-N 1 1 277.339 3.110 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC3(CCC3)C2)c1O ZINC000123576198 392429698 /nfs/dbraw/zinc/42/96/98/392429698.db2.gz KSEUPZFOIDBSPG-UHFFFAOYSA-N 1 1 277.339 3.110 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+](C)CCc2ccccn2)c1O ZINC000120813540 392403823 /nfs/dbraw/zinc/40/38/23/392403823.db2.gz SDHGLGRUWWAUSG-UHFFFAOYSA-N 1 1 290.794 3.424 20 10 CGCDMO Cc1c(C)n(C)c2ccc(OCCc3c[nH+]cn3C)cc12 ZINC000664098010 419825815 /nfs/dbraw/zinc/82/58/15/419825815.db2.gz IVMFHEJKQNUUBZ-UHFFFAOYSA-N 1 1 283.375 3.150 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H]2CCCOC2)cc1 ZINC000151899496 261056548 /nfs/dbraw/zinc/05/65/48/261056548.db2.gz UYVMSJHOYZZFAC-QGZVFWFLSA-N 1 1 290.451 3.391 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000184997369 262036594 /nfs/dbraw/zinc/03/65/94/262036594.db2.gz AUZQETQTTFSGKQ-NEPJUHHUSA-N 1 1 294.826 3.181 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000184997369 262036597 /nfs/dbraw/zinc/03/65/97/262036597.db2.gz AUZQETQTTFSGKQ-NEPJUHHUSA-N 1 1 294.826 3.181 20 10 CGCDMO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000185098928 262041115 /nfs/dbraw/zinc/04/11/15/262041115.db2.gz NMGPCTIGCZBYHU-PXAZEXFGSA-N 1 1 289.350 3.224 20 10 CGCDMO C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1ccc(F)cc1O ZINC000185644068 262063405 /nfs/dbraw/zinc/06/34/05/262063405.db2.gz QXHACFHGKZDFBT-UVBJJODRSA-N 1 1 281.371 3.123 20 10 CGCDMO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000368141840 267148540 /nfs/dbraw/zinc/14/85/40/267148540.db2.gz HAOAXZBIOIWCFP-BONVTDFDSA-N 1 1 273.307 3.143 20 10 CGCDMO CC[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(F)cc1O ZINC000285508076 328247895 /nfs/dbraw/zinc/24/78/95/328247895.db2.gz AMCSMORKNJVGIX-UXIGCNINSA-N 1 1 281.371 3.123 20 10 CGCDMO Cc1cnc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)s1 ZINC000134907570 334107730 /nfs/dbraw/zinc/10/77/30/334107730.db2.gz KAOXUBTVNFAQOY-LBPRGKRZSA-N 1 1 275.421 3.368 20 10 CGCDMO CCOc1cc(C[N@@H+](C)Cc2ccccc2O)ccc1O ZINC000297895798 520693683 /nfs/dbraw/zinc/69/36/83/520693683.db2.gz RHCLABJENOEGFX-UHFFFAOYSA-N 1 1 287.359 3.129 20 10 CGCDMO CC[N@@H+](Cc1cc(OC)c(OC)cc1O)CC(C)(C)C ZINC000291068239 521293212 /nfs/dbraw/zinc/29/32/12/521293212.db2.gz LBMFCUWBUKCKAH-UHFFFAOYSA-N 1 1 281.396 3.277 20 10 CGCDMO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2cc(F)ccc2O)[nH]1 ZINC000277340655 522440073 /nfs/dbraw/zinc/44/00/73/522440073.db2.gz UZLPDRDOJDNKEH-ZJUUUORDSA-N 1 1 292.358 3.014 20 10 CGCDMO C[N@H+](CCCOc1ccccc1)c1ccc(N)cc1 ZINC000061815963 522787400 /nfs/dbraw/zinc/78/74/00/522787400.db2.gz GEKCWURXWYYLHV-UHFFFAOYSA-N 1 1 256.349 3.174 20 10 CGCDMO C[N@@H+](CCCOc1ccccc1)c1ccc(N)cc1 ZINC000061815963 522787411 /nfs/dbraw/zinc/78/74/11/522787411.db2.gz GEKCWURXWYYLHV-UHFFFAOYSA-N 1 1 256.349 3.174 20 10 CGCDMO CO[C@@H](C)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000278670635 523418517 /nfs/dbraw/zinc/41/85/17/523418517.db2.gz JDUNEJNWLLYTJI-YUMQZZPRSA-N 1 1 278.179 3.385 20 10 CGCDMO Cc1cccc(NCc2ccc(N(C)C)cc2C)[nH+]1 ZINC000157594526 524682293 /nfs/dbraw/zinc/68/22/93/524682293.db2.gz FMZDVHXYKXIBFS-UHFFFAOYSA-N 1 1 255.365 3.377 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC(C)(C)[C@H]2C2CC2)c1 ZINC000291642234 524739499 /nfs/dbraw/zinc/73/94/99/524739499.db2.gz TWKHHXQBTHCLMK-OAHLLOKOSA-N 1 1 261.365 3.021 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000289843138 524740116 /nfs/dbraw/zinc/74/01/16/524740116.db2.gz PLALOWUYBVKEEB-INIZCTEOSA-N 1 1 284.359 3.133 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccc(F)cc1O ZINC000290179184 525397298 /nfs/dbraw/zinc/39/72/98/525397298.db2.gz FEOWQZZNYKIHCW-NWDGAFQWSA-N 1 1 287.334 3.358 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@@H](C3CC3)C2)c1O ZINC000290169178 525937656 /nfs/dbraw/zinc/93/76/56/525937656.db2.gz MPKCTGFIKNHJRY-CYBMUJFWSA-N 1 1 261.365 3.023 20 10 CGCDMO COc1cccc(CNc2cccc(C3CC3)[nH+]2)c1O ZINC000293002801 526044163 /nfs/dbraw/zinc/04/41/63/526044163.db2.gz OZCAQIMVHNZKTN-UHFFFAOYSA-N 1 1 270.332 3.285 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000289816660 526371174 /nfs/dbraw/zinc/37/11/74/526371174.db2.gz NXUDCVCRSSKRQA-OAHLLOKOSA-N 1 1 254.333 3.124 20 10 CGCDMO CC[NH+]1CCC(CC[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000742377266 572351666 /nfs/dbraw/zinc/35/16/66/572351666.db2.gz KBBLZUPTASYNKV-UHFFFAOYSA-N 1 1 296.842 3.257 20 10 CGCDMO CC[N@@H+](Cc1c(O)ccc2ccncc21)C1CCC1 ZINC000738058840 572364477 /nfs/dbraw/zinc/36/44/77/572364477.db2.gz WATCFUMLZGGVIU-UHFFFAOYSA-N 1 1 256.349 3.315 20 10 CGCDMO CC[N@@H+](CCC(=O)OC)Cc1cc(C(C)C)c(C)cc1O ZINC000738099820 572364610 /nfs/dbraw/zinc/36/46/10/572364610.db2.gz QIEDQJLCCDCPRT-UHFFFAOYSA-N 1 1 293.407 3.209 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](c3ccco3)C1)CCC2 ZINC000732182633 572450533 /nfs/dbraw/zinc/45/05/33/572450533.db2.gz VILGQUGRXAPDRX-OAHLLOKOSA-N 1 1 283.371 3.463 20 10 CGCDMO C[C@H]1c2ccccc2C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000747460816 572930564 /nfs/dbraw/zinc/93/05/64/572930564.db2.gz CDVUFKQBPFPBGU-NSHDSACASA-N 1 1 283.327 3.198 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)c1O ZINC000050565923 618122955 /nfs/dbraw/zinc/12/29/55/618122955.db2.gz BQXUHCCWEFMTAY-GHMZBOCLSA-N 1 1 279.355 3.354 20 10 CGCDMO C[N@H+](Cc1c(Cl)n[nH]c1C1CC1)Cc1ccccc1O ZINC000891714069 618254942 /nfs/dbraw/zinc/25/49/42/618254942.db2.gz QWJRSSASTGGCPR-UHFFFAOYSA-N 1 1 291.782 3.278 20 10 CGCDMO C[N@@H+](Cc1c(Cl)n[nH]c1C1CC1)Cc1ccccc1O ZINC000891714069 618254945 /nfs/dbraw/zinc/25/49/45/618254945.db2.gz QWJRSSASTGGCPR-UHFFFAOYSA-N 1 1 291.782 3.278 20 10 CGCDMO C[N@@H+](Cc1ccc2c(c1)CCCO2)Cc1ccccc1O ZINC000891714315 618255002 /nfs/dbraw/zinc/25/50/02/618255002.db2.gz VYUQSFFAODNSST-UHFFFAOYSA-N 1 1 283.371 3.349 20 10 CGCDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1O)[C@@H](C)C(C)C ZINC000891823132 618321582 /nfs/dbraw/zinc/32/15/82/618321582.db2.gz KMYNPAMRDARQSS-LBPRGKRZSA-N 1 1 281.396 3.276 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](OC)C2)cc1 ZINC000091772856 618725237 /nfs/dbraw/zinc/72/52/37/618725237.db2.gz ITBCTGCOBLPYGC-QGZVFWFLSA-N 1 1 276.424 3.144 20 10 CGCDMO c1cc(N2CCCC2)ccc1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248746273 618747074 /nfs/dbraw/zinc/74/70/74/618747074.db2.gz DNSCSTPWNSWFFA-HKUYNNGSSA-N 1 1 299.462 3.003 20 10 CGCDMO c1cc(N2CCCC2)ccc1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248746273 618747077 /nfs/dbraw/zinc/74/70/77/618747077.db2.gz DNSCSTPWNSWFFA-HKUYNNGSSA-N 1 1 299.462 3.003 20 10 CGCDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1O ZINC000179553849 618795638 /nfs/dbraw/zinc/79/56/38/618795638.db2.gz IOCGQEPSXSFTME-UHFFFAOYSA-N 1 1 285.343 3.143 20 10 CGCDMO CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)Cc1ccccc1O ZINC000179577512 618796241 /nfs/dbraw/zinc/79/62/41/618796241.db2.gz OQMOUSAFACARSK-SFHVURJKSA-N 1 1 299.414 3.411 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC2(C1)CCOCC2 ZINC000311372309 618906321 /nfs/dbraw/zinc/90/63/21/618906321.db2.gz JJBQLBGIHXHSOY-UHFFFAOYSA-N 1 1 281.783 3.048 20 10 CGCDMO CCC[C@@H](C)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000179617080 619009235 /nfs/dbraw/zinc/00/92/35/619009235.db2.gz HOAMZUAXBSSQPX-MRXNPFEDSA-N 1 1 290.451 3.391 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](CC2CCC2)C(C)C)c1 ZINC000195080067 619146387 /nfs/dbraw/zinc/14/63/87/619146387.db2.gz FHSZGFHDSVNYPK-UHFFFAOYSA-N 1 1 263.381 3.411 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000840939764 619230698 /nfs/dbraw/zinc/23/06/98/619230698.db2.gz QDSGMNPEUCXHEA-YEWWUXTCSA-N 1 1 290.451 3.042 20 10 CGCDMO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000228566259 619235329 /nfs/dbraw/zinc/23/53/29/619235329.db2.gz SVTUIZLGUQYUCZ-GWCFXTLKSA-N 1 1 299.798 3.054 20 10 CGCDMO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000228566259 619235332 /nfs/dbraw/zinc/23/53/32/619235332.db2.gz SVTUIZLGUQYUCZ-GWCFXTLKSA-N 1 1 299.798 3.054 20 10 CGCDMO Cc1cc(Cl)cc(C[NH2+][C@@H](C)c2csnn2)c1O ZINC000840970830 619297264 /nfs/dbraw/zinc/29/72/64/619297264.db2.gz XFDRYIFWFZTRLD-QMMMGPOBSA-N 1 1 283.784 3.056 20 10 CGCDMO CC(C)COC1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893969542 619342004 /nfs/dbraw/zinc/34/20/04/619342004.db2.gz VDMXPDWAEOXHRX-UHFFFAOYSA-N 1 1 299.361 3.307 20 10 CGCDMO Cc1cc([C@H]2CCC[N@H+]2Cc2cc(F)cc(F)c2[O-])on1 ZINC000893994337 619345127 /nfs/dbraw/zinc/34/51/27/619345127.db2.gz DEGVGDHOWXFXLK-CYBMUJFWSA-N 1 1 294.301 3.304 20 10 CGCDMO COc1cc(C)cc(CNc2ccc(C)c[nH+]2)c1O ZINC000894196841 619410319 /nfs/dbraw/zinc/41/03/19/619410319.db2.gz FRXWJJFWTXIYDN-UHFFFAOYSA-N 1 1 258.321 3.025 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000894493833 619555355 /nfs/dbraw/zinc/55/53/55/619555355.db2.gz DZVVYKHWWJQYQA-CQSZACIVSA-N 1 1 297.345 3.061 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000894493833 619555359 /nfs/dbraw/zinc/55/53/59/619555359.db2.gz DZVVYKHWWJQYQA-CQSZACIVSA-N 1 1 297.345 3.061 20 10 CGCDMO COc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C)c(O)c1OC ZINC000895009963 619694613 /nfs/dbraw/zinc/69/46/13/619694613.db2.gz MEIVOYFLWGQPCB-VXGBXAGGSA-N 1 1 279.380 3.030 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)cc1C ZINC000049176434 619706931 /nfs/dbraw/zinc/70/69/31/619706931.db2.gz VFVMFMKGFYZLDM-CYBMUJFWSA-N 1 1 263.381 3.008 20 10 CGCDMO Cc1ccc(C[NH2+]Cc2c(O)cccc2F)c(C)c1 ZINC000896642469 620039670 /nfs/dbraw/zinc/03/96/70/620039670.db2.gz XJXDBYJZRMWGCN-UHFFFAOYSA-N 1 1 259.324 3.438 20 10 CGCDMO COc1ccc(C[NH2+]Cc2c(O)cccc2F)c(C)c1 ZINC000896639616 620041524 /nfs/dbraw/zinc/04/15/24/620041524.db2.gz MLFYVNFLBCFILD-UHFFFAOYSA-N 1 1 275.323 3.138 20 10 CGCDMO C[C@H]1Cc2cc(C[NH2+]Cc3c(O)cccc3F)ccc2O1 ZINC000896641824 620042321 /nfs/dbraw/zinc/04/23/21/620042321.db2.gz WBFWYEMHRSEEGH-NSHDSACASA-N 1 1 287.334 3.145 20 10 CGCDMO CSCC1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000896933829 620106071 /nfs/dbraw/zinc/10/60/71/620106071.db2.gz CDTSBTBHBYAPFT-UHFFFAOYSA-N 1 1 287.375 3.245 20 10 CGCDMO Cc1csc(C[C@H]2CC[N@@H+](Cc3ccccc3O)C2)n1 ZINC000897298990 620185433 /nfs/dbraw/zinc/18/54/33/620185433.db2.gz PXUSYIPLWAOYQS-CYBMUJFWSA-N 1 1 288.416 3.222 20 10 CGCDMO COc1ccc(C[NH2+]CCN(C(C)C)C(C)C)cc1C ZINC000035052649 620265653 /nfs/dbraw/zinc/26/56/53/620265653.db2.gz GGSWMCYECNTYSA-UHFFFAOYSA-N 1 1 278.440 3.212 20 10 CGCDMO C[C@H](CCCCO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841758776 620405765 /nfs/dbraw/zinc/40/57/65/620405765.db2.gz VGYLYXQBIRTONT-MNOVXSKESA-N 1 1 271.788 3.247 20 10 CGCDMO C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cncs1 ZINC000897933545 620448401 /nfs/dbraw/zinc/44/84/01/620448401.db2.gz ZNHPMQQCNOSAHO-SSDOTTSWSA-N 1 1 286.759 3.492 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2C[C@@H]3CSC[C@]3(C)C2)c1 ZINC000902673846 621394401 /nfs/dbraw/zinc/39/44/01/621394401.db2.gz LBOKRTOKDZPIJX-ZBFHGGJFSA-N 1 1 277.433 3.194 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCOC12CCCC2)c1c(O)cccc1F ZINC000903386992 621727278 /nfs/dbraw/zinc/72/72/78/621727278.db2.gz FEUFYLJYTKKLST-BXUZGUMPSA-N 1 1 279.355 3.284 20 10 CGCDMO CC[N@H+](Cc1cc(Br)ccc1O)CC1CC1 ZINC000156598954 622825862 /nfs/dbraw/zinc/82/58/62/622825862.db2.gz XPEXEAIAVVWQFL-UHFFFAOYSA-N 1 1 284.197 3.387 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCCc2ccccc2C1 ZINC000226564510 622981709 /nfs/dbraw/zinc/98/17/09/622981709.db2.gz MBMWDILJDYQPMW-UHFFFAOYSA-N 1 1 271.335 3.480 20 10 CGCDMO C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000158079290 623003824 /nfs/dbraw/zinc/00/38/24/623003824.db2.gz ZYIMRBRFFCSDCR-CYBMUJFWSA-N 1 1 296.842 3.400 20 10 CGCDMO C[C@@H]1CSCC[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000172516318 623254299 /nfs/dbraw/zinc/25/42/99/623254299.db2.gz HMNOSZVSOCRLQH-LLVKDONJSA-N 1 1 295.448 3.333 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000827506584 623464580 /nfs/dbraw/zinc/46/45/80/623464580.db2.gz JJBZYXSICDGSGW-RKDXNWHRSA-N 1 1 255.720 3.027 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000827506584 623464588 /nfs/dbraw/zinc/46/45/88/623464588.db2.gz JJBZYXSICDGSGW-RKDXNWHRSA-N 1 1 255.720 3.027 20 10 CGCDMO CCSCC[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1O ZINC000180250728 624730376 /nfs/dbraw/zinc/73/03/76/624730376.db2.gz ZZOJLXQVFNHAHZ-LLVKDONJSA-N 1 1 271.401 3.495 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccccc1O ZINC000183290329 625059931 /nfs/dbraw/zinc/05/99/31/625059931.db2.gz WPALBCFCJHVRKC-UHFFFAOYSA-N 1 1 284.403 3.480 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+](C)CCc2nccs2)c1 ZINC000164605906 626087338 /nfs/dbraw/zinc/08/73/38/626087338.db2.gz AHEGENBVWRJRCA-UHFFFAOYSA-N 1 1 276.405 3.140 20 10 CGCDMO C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc(Cl)ccc1O ZINC000840809652 626196767 /nfs/dbraw/zinc/19/67/67/626196767.db2.gz MODNLYFWRDPGRD-OLZOCXBDSA-N 1 1 296.842 3.428 20 10 CGCDMO C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cc(Cl)ccc1[O-] ZINC000840809652 626196768 /nfs/dbraw/zinc/19/67/68/626196768.db2.gz MODNLYFWRDPGRD-OLZOCXBDSA-N 1 1 296.842 3.428 20 10 CGCDMO C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc(Cl)ccc1[O-] ZINC000840809652 626196770 /nfs/dbraw/zinc/19/67/70/626196770.db2.gz MODNLYFWRDPGRD-OLZOCXBDSA-N 1 1 296.842 3.428 20 10 CGCDMO Cc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)nc1C ZINC000839166297 626324085 /nfs/dbraw/zinc/32/40/85/626324085.db2.gz YKGFBMMWBLDQOZ-UHFFFAOYSA-N 1 1 294.757 3.486 20 10 CGCDMO CC(C)[N@@H+](CCC1(O)CCC1)Cc1ccc(N(C)C)cc1 ZINC000839468280 626354438 /nfs/dbraw/zinc/35/44/38/626354438.db2.gz VINUKNCTNAONEQ-UHFFFAOYSA-N 1 1 290.451 3.268 20 10 CGCDMO CCC1CCC([N@@H+](CCO)Cc2cc(C)ccc2O)CC1 ZINC000754153422 626561259 /nfs/dbraw/zinc/56/12/59/626561259.db2.gz HWBKUSINTRKIEY-UHFFFAOYSA-N 1 1 291.435 3.464 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCOc3ccccc3C2)c1 ZINC000754727666 626584923 /nfs/dbraw/zinc/58/49/23/626584923.db2.gz MOOGUNBXYSPPON-UHFFFAOYSA-N 1 1 283.371 3.404 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H](C)CCOC)cc1 ZINC000755893419 626656846 /nfs/dbraw/zinc/65/68/46/626656846.db2.gz SNTXVHXVRPSUDC-OAHLLOKOSA-N 1 1 278.440 3.390 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCS[C@H](C)CC2)c(O)c1 ZINC000756145505 626681306 /nfs/dbraw/zinc/68/13/06/626681306.db2.gz AAXYOEAPUFBEMS-GFCCVEGCSA-N 1 1 281.421 3.118 20 10 CGCDMO C[C@@H]([NH2+]CCCC[NH+](C)C)c1cc(Cl)ccc1[O-] ZINC000756501356 626709769 /nfs/dbraw/zinc/70/97/69/626709769.db2.gz CASIOKOLNCAEQU-LLVKDONJSA-N 1 1 270.804 3.038 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc(F)cn1)c1cc(F)cc(F)c1O ZINC000756661144 626725556 /nfs/dbraw/zinc/72/55/56/626725556.db2.gz YIQVXVJSLJWXMN-QMMMGPOBSA-N 1 1 282.265 3.055 20 10 CGCDMO CSc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2O)ccn1 ZINC000756665966 626725730 /nfs/dbraw/zinc/72/57/30/626725730.db2.gz XQDORGSSMNNAJH-JTQLQIEISA-N 1 1 292.379 3.499 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)c1nnc(C)[nH]1 ZINC000839594054 626763698 /nfs/dbraw/zinc/76/36/98/626763698.db2.gz PXOTXYHKVPLWOM-LBPRGKRZSA-N 1 1 288.395 3.182 20 10 CGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)c1nnc(C)[nH]1 ZINC000839594054 626763701 /nfs/dbraw/zinc/76/37/01/626763701.db2.gz PXOTXYHKVPLWOM-LBPRGKRZSA-N 1 1 288.395 3.182 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000839634642 626769040 /nfs/dbraw/zinc/76/90/40/626769040.db2.gz DYRIBXGMUKXECD-OALUTQOASA-N 1 1 296.414 3.061 20 10 CGCDMO Cc1nnc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)s1 ZINC000757638557 626796372 /nfs/dbraw/zinc/79/63/72/626796372.db2.gz LZZCVLYVTPHGOM-SSDOTTSWSA-N 1 1 283.784 3.056 20 10 CGCDMO Oc1ccc(F)cc1C[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000758062998 626824631 /nfs/dbraw/zinc/82/46/31/626824631.db2.gz QDINVBFSXXAVJO-QGZVFWFLSA-N 1 1 293.382 3.312 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000758062998 626824634 /nfs/dbraw/zinc/82/46/34/626824634.db2.gz QDINVBFSXXAVJO-QGZVFWFLSA-N 1 1 293.382 3.312 20 10 CGCDMO CCC[N@H+](CC[C@H]1CCCCN1C)Cc1ccccc1O ZINC000760830544 626994626 /nfs/dbraw/zinc/99/46/26/626994626.db2.gz HXFKIVXJIXQTJC-QGZVFWFLSA-N 1 1 290.451 3.479 20 10 CGCDMO CCC[N@@H+](CC[C@H]1CCCCN1C)Cc1ccccc1O ZINC000760830544 626994629 /nfs/dbraw/zinc/99/46/29/626994629.db2.gz HXFKIVXJIXQTJC-QGZVFWFLSA-N 1 1 290.451 3.479 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)Cc1cccc(F)c1 ZINC000768159376 627464056 /nfs/dbraw/zinc/46/40/56/627464056.db2.gz CRIJSXFHTHABBM-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)C[C@H](C)O1 ZINC000768448627 627480667 /nfs/dbraw/zinc/48/06/67/627480667.db2.gz UFSSLPWJVFWLSH-GUYCJALGSA-N 1 1 289.419 3.270 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@H](C(C)C)C2)c(O)cc1C ZINC000768465190 627481328 /nfs/dbraw/zinc/48/13/28/627481328.db2.gz YJLKHDDCTQWQHW-ZDUSSCGKSA-N 1 1 263.381 3.187 20 10 CGCDMO COc1cc(O)c(C[N@H+]2Cc3ccccc3[C@H]2C)cc1OC ZINC000768465299 627481338 /nfs/dbraw/zinc/48/13/38/627481338.db2.gz GDSUWYHLKPFALK-GFCCVEGCSA-N 1 1 299.370 3.486 20 10 CGCDMO Cc1cc([C@H]2CCC[N@H+]2Cc2cc(C)ccc2O)on1 ZINC000768877000 627505418 /nfs/dbraw/zinc/50/54/18/627505418.db2.gz FTXMHHHMALGXOZ-CQSZACIVSA-N 1 1 272.348 3.334 20 10 CGCDMO Cc1cc(O)c(C[N@H+](Cc2ccccc2)C[C@H](C)O)cc1C ZINC000768893869 627507016 /nfs/dbraw/zinc/50/70/16/627507016.db2.gz UBJWDFGIUHMVHY-INIZCTEOSA-N 1 1 299.414 3.392 20 10 CGCDMO C[N@H+](Cc1ccoc1)Cc1cccc(Br)c1O ZINC000769006310 627516292 /nfs/dbraw/zinc/51/62/92/627516292.db2.gz RKNIGPIEIIQDEH-UHFFFAOYSA-N 1 1 296.164 3.380 20 10 CGCDMO C[N@@H+](Cc1ccoc1)Cc1cccc(Br)c1O ZINC000769006310 627516296 /nfs/dbraw/zinc/51/62/96/627516296.db2.gz RKNIGPIEIIQDEH-UHFFFAOYSA-N 1 1 296.164 3.380 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000769425019 627551099 /nfs/dbraw/zinc/55/10/99/627551099.db2.gz BOGFHRIZYFQSBE-INIZCTEOSA-N 1 1 298.386 3.441 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000770371570 627615773 /nfs/dbraw/zinc/61/57/73/627615773.db2.gz AUSIVVABFPUVCE-IRXDYDNUSA-N 1 1 288.435 3.001 20 10 CGCDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000773754282 627911206 /nfs/dbraw/zinc/91/12/06/627911206.db2.gz QJGGSZPJOFZTOX-QGZVFWFLSA-N 1 1 276.424 3.144 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000773756981 627911331 /nfs/dbraw/zinc/91/13/31/627911331.db2.gz XYFBWJHFDJQQLW-YJBOKZPZSA-N 1 1 289.467 3.057 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N(C)CC)cc2)C[C@H](C)O1 ZINC000773757867 627912553 /nfs/dbraw/zinc/91/25/53/627912553.db2.gz QSYASQZRSBJPHZ-WMLDXEAASA-N 1 1 276.424 3.142 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+]2CCc3ncsc3C2)cc1 ZINC000773888694 627925273 /nfs/dbraw/zinc/92/52/73/627925273.db2.gz MBMMFRYMLGOOIO-UHFFFAOYSA-N 1 1 287.432 3.158 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCc3ncsc3C2)cc1 ZINC000773888694 627925278 /nfs/dbraw/zinc/92/52/78/627925278.db2.gz MBMMFRYMLGOOIO-UHFFFAOYSA-N 1 1 287.432 3.158 20 10 CGCDMO [O-]c1ccc(Cl)cc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000775025879 628054645 /nfs/dbraw/zinc/05/46/45/628054645.db2.gz XBHJGTGYIRSXOL-UHFFFAOYSA-N 1 1 294.826 3.010 20 10 CGCDMO C[N@@H+](Cc1ccc[nH]1)Cc1cccc(Cl)c1[O-] ZINC000775734414 628130394 /nfs/dbraw/zinc/13/03/94/628130394.db2.gz OTLOPRNDPZPBLJ-UHFFFAOYSA-N 1 1 250.729 3.006 20 10 CGCDMO C[N@@H+](Cc1ccc[nH]1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775732823 628130472 /nfs/dbraw/zinc/13/04/72/628130472.db2.gz BEHAVODNQWTEOA-UHFFFAOYSA-N 1 1 268.719 3.145 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCCSCC2)c1O ZINC000780894150 628523045 /nfs/dbraw/zinc/52/30/45/628523045.db2.gz ZBUMVBBNQGACLJ-UHFFFAOYSA-N 1 1 271.813 3.293 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000781533227 628568898 /nfs/dbraw/zinc/56/88/98/628568898.db2.gz ZUUYOLKKGTUHTM-NSHDSACASA-N 1 1 291.725 3.249 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000781532386 628568988 /nfs/dbraw/zinc/56/89/88/628568988.db2.gz PIWOANJPUIKDEB-VIFPVBQESA-N 1 1 291.725 3.249 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@]3(CC[C@H](C)C3)C2)c1O ZINC000781931618 628606436 /nfs/dbraw/zinc/60/64/36/628606436.db2.gz ZMLFEDLPTNEVFS-GUYCJALGSA-N 1 1 275.392 3.413 20 10 CGCDMO CSC1(C[N@@H+](C)Cc2ccc(N(C)C)cc2)CCC1 ZINC000788840552 629085602 /nfs/dbraw/zinc/08/56/02/629085602.db2.gz NSCRGZTXTRFQEJ-UHFFFAOYSA-N 1 1 278.465 3.470 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1)CCC2 ZINC000789510665 629141670 /nfs/dbraw/zinc/14/16/70/629141670.db2.gz BVZHEBBTPLWQNC-WMZOPIPTSA-N 1 1 287.403 3.024 20 10 CGCDMO CC(C)(C)[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)CCO1 ZINC000790411509 629209598 /nfs/dbraw/zinc/20/95/98/629209598.db2.gz FKVMIUOMYYZQEO-KRWDZBQOSA-N 1 1 289.419 3.128 20 10 CGCDMO CCn1ccc(C[N@@H+](C)Cc2cc3c(cc2O)CCC3)c1 ZINC000790452843 629211404 /nfs/dbraw/zinc/21/14/04/629211404.db2.gz YRBVCKRESDIEDD-UHFFFAOYSA-N 1 1 284.403 3.334 20 10 CGCDMO C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C1(C)CC1 ZINC000790962500 629243061 /nfs/dbraw/zinc/24/30/61/629243061.db2.gz NLDMUIOTPKPNDH-QMMMGPOBSA-N 1 1 257.736 3.463 20 10 CGCDMO CC[N@@H+](Cc1c(O)ccc(Cl)c1F)C[C@H]1CCOC1 ZINC000792163015 629342523 /nfs/dbraw/zinc/34/25/23/629342523.db2.gz UZELSNYJGFDJCP-SNVBAGLBSA-N 1 1 287.762 3.043 20 10 CGCDMO CC[N@H+](Cc1c(O)ccc(Cl)c1F)C[C@H]1CCOC1 ZINC000792163015 629342528 /nfs/dbraw/zinc/34/25/28/629342528.db2.gz UZELSNYJGFDJCP-SNVBAGLBSA-N 1 1 287.762 3.043 20 10 CGCDMO CO[C@]1(C)CCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862351411 629346828 /nfs/dbraw/zinc/34/68/28/629346828.db2.gz OXJKCNDPGARYRN-MRXNPFEDSA-N 1 1 298.377 3.032 20 10 CGCDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CC1(F)CC1 ZINC000792788955 629382092 /nfs/dbraw/zinc/38/20/92/629382092.db2.gz HAADPYDZDACCGO-UHFFFAOYSA-N 1 1 264.388 3.465 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+]2Cc3cccc(OC)c3C2)c1 ZINC000862528791 629391069 /nfs/dbraw/zinc/39/10/69/629391069.db2.gz CJCWBJJSDQGECT-UHFFFAOYSA-N 1 1 299.370 3.315 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2Cc3cccc(OC)c3C2)c1 ZINC000862528791 629391078 /nfs/dbraw/zinc/39/10/78/629391078.db2.gz CJCWBJJSDQGECT-UHFFFAOYSA-N 1 1 299.370 3.315 20 10 CGCDMO CC(C)[C@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000118964275 629408929 /nfs/dbraw/zinc/40/89/29/629408929.db2.gz WKZDMIYSQNAEOI-CYBMUJFWSA-N 1 1 277.364 3.131 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@H+]2[C@H](C)C[C@@H]2C)c1 ZINC000793227275 629431822 /nfs/dbraw/zinc/43/18/22/629431822.db2.gz AXVFAKPPAITRJT-AOOOYVTPSA-N 1 1 284.197 3.446 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2[C@H](C)C[C@@H]2C)c1 ZINC000793227275 629431823 /nfs/dbraw/zinc/43/18/23/629431823.db2.gz AXVFAKPPAITRJT-AOOOYVTPSA-N 1 1 284.197 3.446 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000793230690 629433575 /nfs/dbraw/zinc/43/35/75/629433575.db2.gz IAVXKYYEJZDNMP-ONGXEEELSA-N 1 1 289.297 3.174 20 10 CGCDMO Cc1cc(C[N@H+](C)CC2(C)COC2)c(O)c(C(C)(C)C)c1 ZINC000863299339 629527150 /nfs/dbraw/zinc/52/71/50/629527150.db2.gz IBJADPQRTYYCDO-UHFFFAOYSA-N 1 1 291.435 3.466 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1cccc(Cl)c1[O-] ZINC000863544806 629603296 /nfs/dbraw/zinc/60/32/96/629603296.db2.gz BQRJYRHBCVYKNF-MJVIPROJSA-N 1 1 282.815 3.227 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000796787662 629834117 /nfs/dbraw/zinc/83/41/17/629834117.db2.gz OYAZICYZWGQPRT-ZLDLUXBVSA-N 1 1 280.387 3.055 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000796787662 629834119 /nfs/dbraw/zinc/83/41/19/629834119.db2.gz OYAZICYZWGQPRT-ZLDLUXBVSA-N 1 1 280.387 3.055 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCCO1)c1cccc(C(F)(F)F)c1O ZINC000798179640 630030792 /nfs/dbraw/zinc/03/07/92/630030792.db2.gz IJTNSHFGUTXJHY-ZJUUUORDSA-N 1 1 289.297 3.241 20 10 CGCDMO CSCCC[N@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000798965323 630131992 /nfs/dbraw/zinc/13/19/92/630131992.db2.gz ZBIFGEKTYUFUAT-UHFFFAOYSA-N 1 1 277.792 3.370 20 10 CGCDMO CSCCC[N@@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000798965323 630131996 /nfs/dbraw/zinc/13/19/96/630131996.db2.gz ZBIFGEKTYUFUAT-UHFFFAOYSA-N 1 1 277.792 3.370 20 10 CGCDMO CCSCCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000800284042 630261796 /nfs/dbraw/zinc/26/17/96/630261796.db2.gz YYSNHQADPHQFHM-UHFFFAOYSA-N 1 1 277.792 3.418 20 10 CGCDMO CS[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000840114809 630598472 /nfs/dbraw/zinc/59/84/72/630598472.db2.gz JRFKWIGKDXLYPH-CYBMUJFWSA-N 1 1 295.448 3.333 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1O ZINC000840118193 630599955 /nfs/dbraw/zinc/59/99/55/630599955.db2.gz YGEDPXRZSWOLQJ-DEWZPKMOSA-N 1 1 299.414 3.353 20 10 CGCDMO C[C@@H](CO)[N@H+](Cc1cc(Cl)ccc1O)CC1CCC1 ZINC000809665640 630778393 /nfs/dbraw/zinc/77/83/93/630778393.db2.gz YBCIIIOEQHLDQH-NSHDSACASA-N 1 1 283.799 3.029 20 10 CGCDMO COc1ccc(O)c(C[NH2+]C2(C(F)F)CCCC2)c1 ZINC000809789765 630810863 /nfs/dbraw/zinc/81/08/63/630810863.db2.gz DNNWPZGMNKUNNY-UHFFFAOYSA-N 1 1 271.307 3.068 20 10 CGCDMO CC[N@@H+](Cc1cc2c(cc1O)OCO2)C1CC(C)(C)C1 ZINC000840185306 630811434 /nfs/dbraw/zinc/81/14/34/630811434.db2.gz YGRDQRWMRGVXNQ-UHFFFAOYSA-N 1 1 277.364 3.131 20 10 CGCDMO CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000810244128 630857791 /nfs/dbraw/zinc/85/77/91/630857791.db2.gz AFQIQOPFFVJMHE-MBNYWOFBSA-N 1 1 294.414 3.398 20 10 CGCDMO CC(C)[N@H+](C)C[C@H](C)N[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000810244128 630857795 /nfs/dbraw/zinc/85/77/95/630857795.db2.gz AFQIQOPFFVJMHE-MBNYWOFBSA-N 1 1 294.414 3.398 20 10 CGCDMO CCC[N@H+](CC)C[C@@H](C)N[C@@H](C)c1cc(C)ccc1O ZINC000810262584 630862723 /nfs/dbraw/zinc/86/27/23/630862723.db2.gz SWXJDSHYOTWFKT-CABCVRRESA-N 1 1 278.440 3.472 20 10 CGCDMO CCC[N@@H+](CC)C[C@@H](C)N[C@@H](C)c1cc(C)ccc1O ZINC000810262584 630862724 /nfs/dbraw/zinc/86/27/24/630862724.db2.gz SWXJDSHYOTWFKT-CABCVRRESA-N 1 1 278.440 3.472 20 10 CGCDMO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2O)[C@H]1[C@@H]1CCCO1 ZINC000811510322 631078805 /nfs/dbraw/zinc/07/88/05/631078805.db2.gz CENWMUDWTHOCQU-GJZGRUSLSA-N 1 1 295.810 3.435 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1C ZINC000811510875 631080348 /nfs/dbraw/zinc/08/03/48/631080348.db2.gz QNJDXXKQTWQASK-IRXDYDNUSA-N 1 1 289.419 3.398 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1C ZINC000811510876 631080741 /nfs/dbraw/zinc/08/07/41/631080741.db2.gz QNJDXXKQTWQASK-SJORKVTESA-N 1 1 289.419 3.398 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1 ZINC000811778773 631119804 /nfs/dbraw/zinc/11/98/04/631119804.db2.gz NSFYTNZQHLCHLG-NVXWUHKLSA-N 1 1 289.419 3.398 20 10 CGCDMO Oc1ccc2c(c1CNc1cc[nH+]cc1Cl)CCCC2 ZINC000811808852 631121742 /nfs/dbraw/zinc/12/17/42/631121742.db2.gz RIOAVTWPBSKIOH-UHFFFAOYSA-N 1 1 288.778 3.353 20 10 CGCDMO CO[C@](C)(C[NH2+]Cc1c(O)ccc(Cl)c1F)C1CC1 ZINC000812772725 631305650 /nfs/dbraw/zinc/30/56/50/631305650.db2.gz OGSCAHSKTFKGEY-CQSZACIVSA-N 1 1 287.762 3.089 20 10 CGCDMO CC[N@@H+](CCC[C@@H]1CCO1)Cc1ccc(N(C)C)cc1 ZINC000876522451 634850728 /nfs/dbraw/zinc/85/07/28/634850728.db2.gz REECMOHFIFXOPR-QGZVFWFLSA-N 1 1 276.424 3.144 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](C)CN(C)C)c1O ZINC000813877373 631476314 /nfs/dbraw/zinc/47/63/14/631476314.db2.gz UDHCNTHSPFGRTH-PWSUYJOCSA-N 1 1 284.831 3.202 20 10 CGCDMO Cc1cc(C[N@H+]2CCCC3(CC3)C2)ccc1N(C)C ZINC000815096025 631716279 /nfs/dbraw/zinc/71/62/79/631716279.db2.gz ZTGHKCIFQNBPGY-UHFFFAOYSA-N 1 1 258.409 3.437 20 10 CGCDMO Cc1cc(C[N@H+](C)[C@]2(CO)CC[C@@H](C)C2)ccc1N(C)C ZINC000815095675 631716358 /nfs/dbraw/zinc/71/63/58/631716358.db2.gz FVUGYZIPDBDMKB-RDTXWAMCSA-N 1 1 290.451 3.044 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](CC2CCC2)[C@H](C)CO)cc1 ZINC000815106692 631718675 /nfs/dbraw/zinc/71/86/75/631718675.db2.gz ZSYBJDFNXCVVBE-OAHLLOKOSA-N 1 1 290.451 3.126 20 10 CGCDMO CC[N@@H+](CCOC)Cc1ccc2ccccc2c1O ZINC000816484802 631989291 /nfs/dbraw/zinc/98/92/91/631989291.db2.gz PBAGPAQDYFOGSU-UHFFFAOYSA-N 1 1 259.349 3.014 20 10 CGCDMO CCCC[N@H+](CCOC)Cc1cc(Cl)c(F)cc1O ZINC000816508066 631997309 /nfs/dbraw/zinc/99/73/09/631997309.db2.gz BBOMUYWEFQKBGT-UHFFFAOYSA-N 1 1 289.778 3.433 20 10 CGCDMO CCCC[N@@H+](CCOC)Cc1cc(Cl)c(F)cc1O ZINC000816508066 631997316 /nfs/dbraw/zinc/99/73/16/631997316.db2.gz BBOMUYWEFQKBGT-UHFFFAOYSA-N 1 1 289.778 3.433 20 10 CGCDMO CC(C)[C@H]1CC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816528253 632003721 /nfs/dbraw/zinc/00/37/21/632003721.db2.gz SYXNRBZIWTVLJI-GFCCVEGCSA-N 1 1 257.736 3.415 20 10 CGCDMO CC(C)[C@H]1CC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816528253 632003730 /nfs/dbraw/zinc/00/37/30/632003730.db2.gz SYXNRBZIWTVLJI-GFCCVEGCSA-N 1 1 257.736 3.415 20 10 CGCDMO CC[NH+]1CCC(C[NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816548289 632007459 /nfs/dbraw/zinc/00/74/59/632007459.db2.gz CBJCNQUPMKCFTQ-UHFFFAOYSA-N 1 1 298.430 3.367 20 10 CGCDMO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816549106 632008982 /nfs/dbraw/zinc/00/89/82/632008982.db2.gz DKVIELYNZMKFAH-YMTOWFKASA-N 1 1 289.778 3.071 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CCOCC1CCC1 ZINC000816570206 632016634 /nfs/dbraw/zinc/01/66/34/632016634.db2.gz MOCKMQMOBOTZRR-UHFFFAOYSA-N 1 1 287.762 3.091 20 10 CGCDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CCCO1 ZINC000816676217 632042232 /nfs/dbraw/zinc/04/22/32/632042232.db2.gz VWUAIGJUPQSACN-QGZVFWFLSA-N 1 1 294.414 3.139 20 10 CGCDMO CC[C@H]1C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000817415662 632146377 /nfs/dbraw/zinc/14/63/77/632146377.db2.gz WIBITRNOMNFKPP-ZJUUUORDSA-N 1 1 287.762 3.232 20 10 CGCDMO OCC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000817418890 632147156 /nfs/dbraw/zinc/14/71/56/632147156.db2.gz KHHVGDJQILFHKO-GFCCVEGCSA-N 1 1 283.799 3.030 20 10 CGCDMO C[C@@H](NC1CC[NH2+]CC1)c1ccc(N2CCCCC2)cc1 ZINC000817936041 632237575 /nfs/dbraw/zinc/23/75/75/632237575.db2.gz MHLLBRDLDIZGEZ-OAHLLOKOSA-N 1 1 287.451 3.080 20 10 CGCDMO Cc1ccc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)o1 ZINC000817938688 632238731 /nfs/dbraw/zinc/23/87/31/632238731.db2.gz PUWDELWFIJWUSM-CZUORRHYSA-N 1 1 287.407 3.005 20 10 CGCDMO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccsc1 ZINC000817938481 632238755 /nfs/dbraw/zinc/23/87/55/632238755.db2.gz LFBMRJHJGDVYPZ-BLLLJJGKSA-N 1 1 289.448 3.165 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@@H]1CCC[NH2+]C1 ZINC000817948340 632245250 /nfs/dbraw/zinc/24/52/50/632245250.db2.gz YFEWNZIYISPAFW-GRYCIOLGSA-N 1 1 282.815 3.084 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCCCN1)c1cc2c(cc1O)CCCC2 ZINC000817949897 632247075 /nfs/dbraw/zinc/24/70/75/632247075.db2.gz OUWNPXKGBLDDKS-CZUORRHYSA-N 1 1 288.435 3.064 20 10 CGCDMO CCN(C)c1ccc([C@H](C)NCC([NH3+])(CC)CC)cc1 ZINC000817959349 632254920 /nfs/dbraw/zinc/25/49/20/632254920.db2.gz BQASOAHHDATXRJ-AWEZNQCLSA-N 1 1 277.456 3.311 20 10 CGCDMO C[C@@H](CN)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817970365 632265223 /nfs/dbraw/zinc/26/52/23/632265223.db2.gz SJRGTCDUKDGFBR-GJZGRUSLSA-N 1 1 275.440 3.065 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](CCO)C2CCCC2)cc1Cl ZINC000824484565 633250289 /nfs/dbraw/zinc/25/02/89/633250289.db2.gz LWYXBPDJPWUYPN-UHFFFAOYSA-N 1 1 283.799 3.091 20 10 CGCDMO CC[C@@H](CO)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000824533753 633255653 /nfs/dbraw/zinc/25/56/53/633255653.db2.gz MRZKTAMZKXKEHU-KRWDZBQOSA-N 1 1 285.387 3.262 20 10 CGCDMO Oc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824697113 633274001 /nfs/dbraw/zinc/27/40/01/633274001.db2.gz YXZIPUBZYPUESX-UXLLHSPISA-N 1 1 293.382 3.047 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1Cl ZINC000824895607 633302737 /nfs/dbraw/zinc/30/27/37/633302737.db2.gz ZZFNBCYEAIMAKT-OLZOCXBDSA-N 1 1 295.810 3.212 20 10 CGCDMO CC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC(C)C ZINC000876580791 634862707 /nfs/dbraw/zinc/86/27/07/634862707.db2.gz QOPIWYPOUYVEQF-UHFFFAOYSA-N 1 1 290.451 3.126 20 10 CGCDMO COc1cccc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c1O ZINC000824941359 633309183 /nfs/dbraw/zinc/30/91/83/633309183.db2.gz MSMRTWKOTJUFLN-GDBMZVCRSA-N 1 1 273.376 3.021 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)[C@@H](CO)CC(C)(C)C)cc1C ZINC000825040637 633321203 /nfs/dbraw/zinc/32/12/03/633321203.db2.gz QKHSDRHAYJHCEX-OAHLLOKOSA-N 1 1 279.424 3.238 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CCOCC12CCCCC2 ZINC000825098870 633328890 /nfs/dbraw/zinc/32/88/90/633328890.db2.gz PNIITNYIZSJEAV-UHFFFAOYSA-N 1 1 279.355 3.066 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CCOCC12CCCCC2 ZINC000825098870 633328891 /nfs/dbraw/zinc/32/88/91/633328891.db2.gz PNIITNYIZSJEAV-UHFFFAOYSA-N 1 1 279.355 3.066 20 10 CGCDMO CC[C@@]1(CO)CCC[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC000825634548 633369064 /nfs/dbraw/zinc/36/90/64/633369064.db2.gz OJYLUCIQAWBUSQ-HNNXBMFYSA-N 1 1 283.799 3.091 20 10 CGCDMO Cc1cc(N(C)C)ccc1CN[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000826872284 633439279 /nfs/dbraw/zinc/43/92/79/633439279.db2.gz KBPRTPKMPBXONG-MRXNPFEDSA-N 1 1 289.467 3.023 20 10 CGCDMO Cc1cc(N(C)C)ccc1CN[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000826872284 633439280 /nfs/dbraw/zinc/43/92/80/633439280.db2.gz KBPRTPKMPBXONG-MRXNPFEDSA-N 1 1 289.467 3.023 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000827507287 633495329 /nfs/dbraw/zinc/49/53/29/633495329.db2.gz WZEPENOFYJPLDE-GHMZBOCLSA-N 1 1 296.208 3.305 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000827507287 633495330 /nfs/dbraw/zinc/49/53/30/633495330.db2.gz WZEPENOFYJPLDE-GHMZBOCLSA-N 1 1 296.208 3.305 20 10 CGCDMO CCOc1ccc(NCc2cc(OC)ccc2O)[nH+]c1C ZINC000827728972 633513303 /nfs/dbraw/zinc/51/33/03/633513303.db2.gz QHUWILSEGABVHJ-UHFFFAOYSA-N 1 1 288.347 3.115 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c1O ZINC000846104321 636143084 /nfs/dbraw/zinc/14/30/84/636143084.db2.gz HBVVFBKOZGLADC-AWEZNQCLSA-N 1 1 267.319 3.322 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000846118261 636147736 /nfs/dbraw/zinc/14/77/36/636147736.db2.gz WISIJZRRCRHKKH-QGZUEGPWSA-N 1 1 292.373 3.497 20 10 CGCDMO C[C@@H]([NH2+][C@@H](CO)CCF)c1cc(Cl)c(Cl)cc1O ZINC000846209411 636159627 /nfs/dbraw/zinc/15/96/27/636159627.db2.gz RCWUXZRXUDMAQK-HTQZYQBOSA-N 1 1 296.169 3.070 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)c1 ZINC000872723350 634195925 /nfs/dbraw/zinc/19/59/25/634195925.db2.gz XQNIPBNWRKJQGE-ZFWWWQNUSA-N 1 1 277.433 3.194 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)cc1C ZINC000872721192 634196148 /nfs/dbraw/zinc/19/61/48/634196148.db2.gz CWVWFPUIXYXUNJ-HIFRSBDPSA-N 1 1 277.433 3.194 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)cc1C ZINC000872721193 634196695 /nfs/dbraw/zinc/19/66/95/634196695.db2.gz CWVWFPUIXYXUNJ-UKRRQHHQSA-N 1 1 277.433 3.194 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)[C@@H](OC)C1CC1)c1ccc(F)cc1O ZINC000834903987 634281026 /nfs/dbraw/zinc/28/10/26/634281026.db2.gz MQPNFCBXFUUUDQ-JMPLFQLZSA-N 1 1 281.371 3.386 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)Cc2ccoc2)cc1 ZINC000835025399 634324559 /nfs/dbraw/zinc/32/45/59/634324559.db2.gz FLMZKGNKNBBQFQ-PLNGDYQASA-N 1 1 270.376 3.491 20 10 CGCDMO CCO[C@@H]1CCC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835025475 634324698 /nfs/dbraw/zinc/32/46/98/634324698.db2.gz VMDZYHRHWSLINI-SUQGKYDKSA-N 1 1 288.435 3.267 20 10 CGCDMO CC[NH+](CC)CCCNC/C=C/c1ccc(N(C)C)cc1 ZINC000835043323 634330589 /nfs/dbraw/zinc/33/05/89/634330589.db2.gz SPBCDTVGOFHGRW-VQHVLOKHSA-N 1 1 289.467 3.087 20 10 CGCDMO C[C@@H]1CSCC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835048373 634334399 /nfs/dbraw/zinc/33/43/99/634334399.db2.gz HNWMBUSBJDFSBG-RGDDUWESSA-N 1 1 290.476 3.451 20 10 CGCDMO CO[C@@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C[C@@H]1C ZINC000835054007 634337895 /nfs/dbraw/zinc/33/78/95/634337895.db2.gz GONXGAYFQZDQFK-HLJKATFASA-N 1 1 288.435 3.123 20 10 CGCDMO C[N@@H+](Cc1ccc(C(F)F)nc1)Cc1ccccc1O ZINC000876616104 634868906 /nfs/dbraw/zinc/86/89/06/634868906.db2.gz SGKFPETUIHVARF-UHFFFAOYSA-N 1 1 278.302 3.357 20 10 CGCDMO Cc1ccc(C[N@H+](C)[C@@H](C)c2ccccn2)c(O)c1 ZINC000877170591 635006070 /nfs/dbraw/zinc/00/60/70/635006070.db2.gz QQIRBNNPHHOGPD-ZDUSSCGKSA-N 1 1 256.349 3.289 20 10 CGCDMO Cc1ccc(C[NH2+][C@@H]2COc3cc(F)cc(F)c32)c(O)c1 ZINC000877315684 635024309 /nfs/dbraw/zinc/02/43/09/635024309.db2.gz POITXIMTEWGLIS-CYBMUJFWSA-N 1 1 291.297 3.202 20 10 CGCDMO Cc1ccc(C[N@H+]2CCS[C@@H](C)CC2)c(O)c1 ZINC000877475451 635050662 /nfs/dbraw/zinc/05/06/62/635050662.db2.gz HVGNWHQSRVYEGG-LBPRGKRZSA-N 1 1 251.395 3.028 20 10 CGCDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(C)cc1O ZINC000877530413 635074625 /nfs/dbraw/zinc/07/46/25/635074625.db2.gz DEXFLKVQLNHOIG-HNNXBMFYSA-N 1 1 285.391 3.378 20 10 CGCDMO CC[N@H+](Cc1ccc(N(C)C)cc1C)C[C@@H]1CCCO1 ZINC000840911663 635081334 /nfs/dbraw/zinc/08/13/34/635081334.db2.gz MAYFVGAVKYFFLT-KRWDZBQOSA-N 1 1 276.424 3.062 20 10 CGCDMO CO[C@]1(C)CCC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840940780 635087054 /nfs/dbraw/zinc/08/70/54/635087054.db2.gz FKCLWTVXDFQXLO-OAHLLOKOSA-N 1 1 283.799 3.355 20 10 CGCDMO CCCC[N@@H+](Cc1ccc(C)nn1)Cc1ccccc1O ZINC000840943170 635088435 /nfs/dbraw/zinc/08/84/35/635088435.db2.gz IHCCJLDCJOJZSQ-UHFFFAOYSA-N 1 1 285.391 3.293 20 10 CGCDMO CC(C)[C@H]1[N@@H+](Cc2cc(F)ccc2O)CC12CCOCC2 ZINC000840968780 635095799 /nfs/dbraw/zinc/09/57/99/635095799.db2.gz CWCRLWYPUYHGSK-MRXNPFEDSA-N 1 1 293.382 3.168 20 10 CGCDMO Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c(O)c1 ZINC000877588574 635104259 /nfs/dbraw/zinc/10/42/59/635104259.db2.gz SRYGOIQFOQYCPC-SJORKVTESA-N 1 1 283.371 3.009 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)c1O ZINC000877672507 635141229 /nfs/dbraw/zinc/14/12/29/635141229.db2.gz GFFLXNOUFMTRFH-ZWKOTPCHSA-N 1 1 297.398 3.399 20 10 CGCDMO Cc1csc([C@H]2CC[N@@H+](Cc3ccc(C)cc3O)C2)n1 ZINC000877814639 635223635 /nfs/dbraw/zinc/22/36/35/635223635.db2.gz VUXKPZSMHLRCEF-AWEZNQCLSA-N 1 1 288.416 3.455 20 10 CGCDMO C[C@H]([NH2+]CC[C@@H]1CCOC1)c1ccc(Cl)cc1O ZINC000841752726 635226715 /nfs/dbraw/zinc/22/67/15/635226715.db2.gz GOFOLYLSWSNWFW-WDEREUQCSA-N 1 1 269.772 3.123 20 10 CGCDMO C[C@@H]([NH2+]CCC[C@H](C)CO)c1ccc(Cl)cc1O ZINC000841753259 635227027 /nfs/dbraw/zinc/22/70/27/635227027.db2.gz YGFVNVGBMHFMAU-WDEREUQCSA-N 1 1 271.788 3.105 20 10 CGCDMO CC(C)[C@H](CCO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841755407 635228913 /nfs/dbraw/zinc/22/89/13/635228913.db2.gz PENOAKFDSMLSCQ-GWCFXTLKSA-N 1 1 271.788 3.103 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H](C)CCCO)c1ccc(Cl)cc1O ZINC000841757145 635231963 /nfs/dbraw/zinc/23/19/63/635231963.db2.gz MLXGFDWDPGHTIC-WDEREUQCSA-N 1 1 271.788 3.105 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000843417596 635662654 /nfs/dbraw/zinc/66/26/54/635662654.db2.gz VECNVZGKFCDYHN-SWLSCSKDSA-N 1 1 295.810 3.437 20 10 CGCDMO CC[N@@H+](CCSC)Cc1ccc(N(C)C)c(F)c1 ZINC000843437301 635675828 /nfs/dbraw/zinc/67/58/28/635675828.db2.gz ANSFILRPQHBDAA-UHFFFAOYSA-N 1 1 270.417 3.077 20 10 CGCDMO CCn1cc(C[N@@H+](Cc2cc(F)ccc2O)C(C)C)cn1 ZINC000846054353 636139234 /nfs/dbraw/zinc/13/92/34/636139234.db2.gz AACULWHJRQACDN-UHFFFAOYSA-N 1 1 291.370 3.158 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2ccc(F)c(F)c2)c1O ZINC000130463574 636458973 /nfs/dbraw/zinc/45/89/73/636458973.db2.gz QJSOHXCEUCKGRM-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)c1ccc(F)cc1O ZINC000848569243 636611338 /nfs/dbraw/zinc/61/13/38/636611338.db2.gz YBFKZICRLXPMPG-MAZHCROVSA-N 1 1 292.398 3.199 20 10 CGCDMO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000131482744 636666888 /nfs/dbraw/zinc/66/68/88/636666888.db2.gz MEBLWDZYHGNHGP-GWCFXTLKSA-N 1 1 269.772 3.045 20 10 CGCDMO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc(Cl)ccc1O ZINC000131482744 636666893 /nfs/dbraw/zinc/66/68/93/636666893.db2.gz MEBLWDZYHGNHGP-GWCFXTLKSA-N 1 1 269.772 3.045 20 10 CGCDMO Oc1ccc(Cl)c(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000883324686 636675401 /nfs/dbraw/zinc/67/54/01/636675401.db2.gz AGZYGLOMCOZGJT-UHFFFAOYSA-N 1 1 289.762 3.270 20 10 CGCDMO CCc1cccc(C[N@@H+](C)[C@H]2CCN(CC)[C@H](C)C2)c1O ZINC000848888154 636676807 /nfs/dbraw/zinc/67/68/07/636676807.db2.gz NOHDNERIJXNLDD-PBHICJAKSA-N 1 1 290.451 3.259 20 10 CGCDMO CCc1cccc(C[N@H+](C)[C@H]2CCN(CC)[C@H](C)C2)c1O ZINC000848888154 636676816 /nfs/dbraw/zinc/67/68/16/636676816.db2.gz NOHDNERIJXNLDD-PBHICJAKSA-N 1 1 290.451 3.259 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@@H](OCC(C)C)C2)c1O ZINC000848890880 636677677 /nfs/dbraw/zinc/67/76/77/636677677.db2.gz VGERZXHWOQTXPX-MRXNPFEDSA-N 1 1 277.408 3.202 20 10 CGCDMO CCc1cccc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c1O ZINC000848914793 636688473 /nfs/dbraw/zinc/68/84/73/636688473.db2.gz SPYHCOVETABACB-MSOLQXFVSA-N 1 1 287.403 3.098 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c1O ZINC000848919221 636691058 /nfs/dbraw/zinc/69/10/58/636691058.db2.gz IBJRURLGYXWNEZ-IRXDYDNUSA-N 1 1 289.419 3.346 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)c1O ZINC000848925045 636697897 /nfs/dbraw/zinc/69/78/97/636697897.db2.gz LQHBBHDGKSWWMV-MRXNPFEDSA-N 1 1 275.392 3.234 20 10 CGCDMO C[C@H]1CCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000132649397 636827885 /nfs/dbraw/zinc/82/78/85/636827885.db2.gz SJSVWOOFBHLGRF-VIFPVBQESA-N 1 1 270.170 3.139 20 10 CGCDMO C[C@H]1CCC[N@@H+]1Cc1cccc(Br)c1O ZINC000132649397 636827889 /nfs/dbraw/zinc/82/78/89/636827889.db2.gz SJSVWOOFBHLGRF-VIFPVBQESA-N 1 1 270.170 3.139 20 10 CGCDMO C[C@H]1CCC[N@H+]1Cc1cccc(Br)c1O ZINC000132649397 636827890 /nfs/dbraw/zinc/82/78/90/636827890.db2.gz SJSVWOOFBHLGRF-VIFPVBQESA-N 1 1 270.170 3.139 20 10 CGCDMO CC[C@H]([NH2+]CC1CCC(O)CC1)c1ccc(F)cc1O ZINC000850550850 637117450 /nfs/dbraw/zinc/11/74/50/637117450.db2.gz CXCWQXXHFJQXHS-HGMXIMQMSA-N 1 1 281.371 3.123 20 10 CGCDMO Cc1nc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)co1 ZINC000851731677 637480467 /nfs/dbraw/zinc/48/04/67/637480467.db2.gz AKABNNBVNJFSQX-UHFFFAOYSA-N 1 1 287.407 3.460 20 10 CGCDMO Cc1nc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)co1 ZINC000851731677 637480472 /nfs/dbraw/zinc/48/04/72/637480472.db2.gz AKABNNBVNJFSQX-UHFFFAOYSA-N 1 1 287.407 3.460 20 10 CGCDMO Cc1cccc(C[NH2+][C@H](C)c2c(O)cccc2F)n1 ZINC000886508988 637545160 /nfs/dbraw/zinc/54/51/60/637545160.db2.gz WDWMZPPTYDVRLO-LLVKDONJSA-N 1 1 260.312 3.086 20 10 CGCDMO Cc1ccc(C[NH2+][C@@H](C)c2c(O)cccc2F)cn1 ZINC000886505371 637545734 /nfs/dbraw/zinc/54/57/34/637545734.db2.gz YDTJBWHLBZIAIA-NSHDSACASA-N 1 1 260.312 3.086 20 10 CGCDMO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1c(O)cccc1F ZINC000886532398 637557024 /nfs/dbraw/zinc/55/70/24/637557024.db2.gz ILCXOLOSIBTRJV-QMMBQJITSA-N 1 1 293.382 3.386 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)c1c(O)cccc1F)C1CCOCC1 ZINC000886535246 637559977 /nfs/dbraw/zinc/55/99/77/637559977.db2.gz XBQKNKMAWSUTAY-FZMZJTMJSA-N 1 1 281.371 3.387 20 10 CGCDMO C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1c(O)cccc1F ZINC000886536651 637562067 /nfs/dbraw/zinc/56/20/67/637562067.db2.gz MKXVZVBIIOWVLH-PJODQICGSA-N 1 1 281.371 3.123 20 10 CGCDMO C[C@H]([NH2+]C1CCSCC1)c1c(O)cccc1F ZINC000886545503 637571703 /nfs/dbraw/zinc/57/17/03/637571703.db2.gz MYCRCHXYYNCVLP-VIFPVBQESA-N 1 1 255.358 3.078 20 10 CGCDMO C[C@@H]([NH2+][C@@H](CO)C1CCCCC1)c1c(O)cccc1F ZINC000886550063 637576097 /nfs/dbraw/zinc/57/60/97/637576097.db2.gz RUZFGMSOZXSZNC-RISCZKNCSA-N 1 1 281.371 3.123 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C2CC2)C2(CO)CCC2)cc1 ZINC000852158986 637606934 /nfs/dbraw/zinc/60/69/34/637606934.db2.gz KYKXDIRAZDOOGF-UHFFFAOYSA-N 1 1 288.435 3.022 20 10 CGCDMO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2c(O)cccc2F)CCO1 ZINC000886628297 637618082 /nfs/dbraw/zinc/61/80/82/637618082.db2.gz MAVQIRJSRKVSJV-IJLUTSLNSA-N 1 1 267.344 3.140 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1c(O)cccc1F ZINC000886635021 637620962 /nfs/dbraw/zinc/62/09/62/637620962.db2.gz STHXXQNVDDRUSP-RYUDHWBXSA-N 1 1 280.387 3.055 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1c(O)cccc1F ZINC000886651686 637632046 /nfs/dbraw/zinc/63/20/46/637632046.db2.gz OSVHBZPWCNEHHT-RYUDHWBXSA-N 1 1 279.355 3.284 20 10 CGCDMO C[C@H]1COC2(CCC2)C[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000853542369 637865093 /nfs/dbraw/zinc/86/50/93/637865093.db2.gz OZPBXYFVXYKCMI-ZDUSSCGKSA-N 1 1 287.403 3.024 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000853584766 637870365 /nfs/dbraw/zinc/87/03/65/637870365.db2.gz BMBKLPTXOVADMU-CABCVRRESA-N 1 1 283.371 3.014 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cccc(N)c1)c1ccc(F)cc1O ZINC000854215317 638024932 /nfs/dbraw/zinc/02/49/32/638024932.db2.gz FTCAXODXGYWOQE-OAHLLOKOSA-N 1 1 274.339 3.354 20 10 CGCDMO C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccccn1 ZINC000858086150 638623558 /nfs/dbraw/zinc/62/35/58/638623558.db2.gz CALNVRQKJZTGGC-LLVKDONJSA-N 1 1 291.345 3.277 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc2ccccc2c1[O-] ZINC000925882513 638643563 /nfs/dbraw/zinc/64/35/63/638643563.db2.gz NSPNYAZYEPRGPR-NFAWXSAZSA-N 1 1 284.403 3.323 20 10 CGCDMO C/C=C\C[NH2+]Cc1cc(C)cc(Br)c1O ZINC000858290957 638673129 /nfs/dbraw/zinc/67/31/29/638673129.db2.gz KPVAXERXXNMNAO-ARJAWSKDSA-N 1 1 270.170 3.129 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1ccc(F)cc1O ZINC000927032767 638833978 /nfs/dbraw/zinc/83/39/78/638833978.db2.gz PIOQBIQRXSEHGK-CKYFFXLPSA-N 1 1 269.385 3.466 20 10 CGCDMO CCC[N@@H+](Cc1cnc(CC)o1)Cc1ccccc1O ZINC000929753579 638947185 /nfs/dbraw/zinc/94/71/85/638947185.db2.gz SMRWYRRDJDMVEI-UHFFFAOYSA-N 1 1 274.364 3.355 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)cc1C ZINC000118382121 639599332 /nfs/dbraw/zinc/59/93/32/639599332.db2.gz VKFSDYAAPXYQAJ-STQMWFEESA-N 1 1 265.422 3.335 20 10 CGCDMO COC[C@@H](C)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000189499354 640195601 /nfs/dbraw/zinc/19/56/01/640195601.db2.gz QHDOMACWLBLGTG-AWEZNQCLSA-N 1 1 289.375 3.270 20 10 CGCDMO C[N@@H+](Cc1c[nH]nc1-c1ccccc1)Cc1ccccc1O ZINC000091956655 640727110 /nfs/dbraw/zinc/72/71/10/640727110.db2.gz SQEBDFPOVLZNFS-UHFFFAOYSA-N 1 1 293.370 3.414 20 10 CGCDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccc1O ZINC000091956575 640728533 /nfs/dbraw/zinc/72/85/33/640728533.db2.gz KCIOQVHYCRXEJR-RMKNXTFCSA-N 1 1 298.342 3.446 20 10 CGCDMO COc1cccc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)c1O ZINC000248373380 640753956 /nfs/dbraw/zinc/75/39/56/640753956.db2.gz IKNXBNLLDLGTSI-NWANDNLSSA-N 1 1 275.392 3.411 20 10 CGCDMO CC[C@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H](C)O1 ZINC000119962790 641044489 /nfs/dbraw/zinc/04/44/89/641044489.db2.gz BCRLDALSWDJFCI-QWRGUYRKSA-N 1 1 269.772 3.045 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@H](C)O1 ZINC000119962790 641044492 /nfs/dbraw/zinc/04/44/92/641044492.db2.gz BCRLDALSWDJFCI-QWRGUYRKSA-N 1 1 269.772 3.045 20 10 CGCDMO CN(C)c1ccc(CN(C)c2ccc3c([nH+]2)CCC3)cc1 ZINC001156923808 805753147 /nfs/dbraw/zinc/75/31/47/805753147.db2.gz GOJIOWWBSYISRU-UHFFFAOYSA-N 1 1 281.403 3.273 20 10 CGCDMO CC[C@H](C)C[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000037323316 798866322 /nfs/dbraw/zinc/86/63/22/798866322.db2.gz NYFGUEVZYAJURX-JTQLQIEISA-N 1 1 267.344 3.212 20 10 CGCDMO CC[C@H](C)C[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000037323316 798866325 /nfs/dbraw/zinc/86/63/25/798866325.db2.gz NYFGUEVZYAJURX-JTQLQIEISA-N 1 1 267.344 3.212 20 10 CGCDMO C[N@@H+](Cc1cccc(F)c1O)CC1CC(F)(F)C1 ZINC000383488158 799402869 /nfs/dbraw/zinc/40/28/69/799402869.db2.gz FRMVOTPBLRCFEK-UHFFFAOYSA-N 1 1 259.271 3.008 20 10 CGCDMO C[N@H+](Cc1cccc(F)c1O)CC1CC(F)(F)C1 ZINC000383488158 799402871 /nfs/dbraw/zinc/40/28/71/799402871.db2.gz FRMVOTPBLRCFEK-UHFFFAOYSA-N 1 1 259.271 3.008 20 10 CGCDMO C[C@H]([NH2+][C@H](CO)C1CCCCC1)c1ccc(F)cc1O ZINC000395239765 799504253 /nfs/dbraw/zinc/50/42/53/799504253.db2.gz YHUZLWUXORTJGA-XHDPSFHLSA-N 1 1 281.371 3.123 20 10 CGCDMO CC[N@@H+](Cc1cc(Cl)ccc1O)[C@H]1CCCOC1 ZINC000402771927 799564191 /nfs/dbraw/zinc/56/41/91/799564191.db2.gz UEFDAILOFMSVTL-ZDUSSCGKSA-N 1 1 269.772 3.047 20 10 CGCDMO COC[C@H]1CCCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000696612948 799840770 /nfs/dbraw/zinc/84/07/70/799840770.db2.gz ZOZIAFLZJRQOSX-LBPRGKRZSA-N 1 1 283.799 3.294 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](OC(C)C)C2)c1O ZINC000701730525 799893348 /nfs/dbraw/zinc/89/33/48/799893348.db2.gz XFVVAXHEDWYPRQ-ZDUSSCGKSA-N 1 1 299.798 3.054 20 10 CGCDMO C[N@@H+](Cc1c(O)cccc1Br)C(C)(C)C ZINC000707167533 799974922 /nfs/dbraw/zinc/97/49/22/799974922.db2.gz ZSPIAJARIFCNHY-UHFFFAOYSA-N 1 1 272.186 3.385 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCCC(F)(F)F ZINC000708453199 799988126 /nfs/dbraw/zinc/98/81/26/799988126.db2.gz FMSOEXQOPZBPHP-UHFFFAOYSA-N 1 1 269.213 3.103 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCOC1CCCCC1 ZINC000708394258 799988223 /nfs/dbraw/zinc/98/82/23/799988223.db2.gz UDZMSXITCYJPDY-UHFFFAOYSA-N 1 1 285.334 3.109 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1Cc2ccccc21 ZINC000708420277 799989241 /nfs/dbraw/zinc/98/92/41/799989241.db2.gz HUVAFDJDDHVNQO-LLVKDONJSA-N 1 1 275.298 3.100 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCCc2occc21 ZINC000708465511 799989419 /nfs/dbraw/zinc/98/94/19/799989419.db2.gz JEXTWIINTUTUIV-CYBMUJFWSA-N 1 1 279.286 3.431 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000711476698 800062708 /nfs/dbraw/zinc/06/27/08/800062708.db2.gz OTLLXWJGOZJMBZ-JTQLQIEISA-N 1 1 257.736 3.227 20 10 CGCDMO c1c[nH]c([C@H]2CCC[N@H+]2Cc2ccc(N3CCCC3)cc2)n1 ZINC001116706943 802398693 /nfs/dbraw/zinc/39/86/93/802398693.db2.gz PIEDCGSJXWDPRQ-QGZVFWFLSA-N 1 1 296.418 3.347 20 10 CGCDMO c1c[nH]c([C@H]2CCC[N@@H+]2Cc2ccc(N3CCCC3)cc2)n1 ZINC001116706943 802398704 /nfs/dbraw/zinc/39/87/04/802398704.db2.gz PIEDCGSJXWDPRQ-QGZVFWFLSA-N 1 1 296.418 3.347 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CC[C@H](OC)C1)c1ccc(F)cc1O ZINC001117114007 802434052 /nfs/dbraw/zinc/43/40/52/802434052.db2.gz ZJWQLWXAAQVUBZ-DYEKYZERSA-N 1 1 267.344 3.140 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C/C=C/C1CC1 ZINC001117722253 802481675 /nfs/dbraw/zinc/48/16/75/802481675.db2.gz PGQNCAPRECWIAE-OWOJBTEDSA-N 1 1 255.720 3.241 20 10 CGCDMO C[C@@]1(CO)CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001117760052 802489765 /nfs/dbraw/zinc/48/97/65/802489765.db2.gz KLYNEUATNNWVDH-GOSISDBHSA-N 1 1 285.387 3.140 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2ccns2)cc1C ZINC001119334376 802650360 /nfs/dbraw/zinc/65/03/60/802650360.db2.gz SGMNRCKJUJGVCH-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(N)cc1 ZINC001120371328 802742569 /nfs/dbraw/zinc/74/25/69/802742569.db2.gz VVDDQVHHEVSPRS-BXKDBHETSA-N 1 1 258.287 3.042 20 10 CGCDMO Oc1cc(Cl)ccc1C[NH2+]CCCc1ccco1 ZINC001206810955 813443099 /nfs/dbraw/zinc/44/30/99/813443099.db2.gz XHCMQVUKESJYBL-UHFFFAOYSA-N 1 1 265.740 3.361 20 10 CGCDMO O=C1CCC2(CC1)CC[NH+](Cc1c(O)cccc1F)CC2 ZINC001137839805 803779328 /nfs/dbraw/zinc/77/93/28/803779328.db2.gz KOIOEWRSZNXJTA-UHFFFAOYSA-N 1 1 291.366 3.257 20 10 CGCDMO Cc1cc(C[N@H+]2CCCC[C@@H](O)C2)c(C)n1-c1ccccc1 ZINC001137854195 803783789 /nfs/dbraw/zinc/78/37/89/803783789.db2.gz LXOPBMOIQHRYQO-LJQANCHMSA-N 1 1 298.430 3.441 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001138127442 803863009 /nfs/dbraw/zinc/86/30/09/803863009.db2.gz BRBLIIVKSSBINP-HNNXBMFYSA-N 1 1 286.350 3.133 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001138127442 803863016 /nfs/dbraw/zinc/86/30/16/803863016.db2.gz BRBLIIVKSSBINP-HNNXBMFYSA-N 1 1 286.350 3.133 20 10 CGCDMO C[C@@H]1C(=O)CC[N@H+](Cc2cccc(F)c2O)C12CCCC2 ZINC001138130944 803865541 /nfs/dbraw/zinc/86/55/41/803865541.db2.gz LYZDUFXPTCLCGW-GFCCVEGCSA-N 1 1 291.366 3.255 20 10 CGCDMO C[C@@H]1C(=O)CC[N@@H+](Cc2cccc(F)c2O)C12CCCC2 ZINC001138130944 803865552 /nfs/dbraw/zinc/86/55/52/803865552.db2.gz LYZDUFXPTCLCGW-GFCCVEGCSA-N 1 1 291.366 3.255 20 10 CGCDMO CC[N@@H+](Cc1c(C)n(C)c2ccccc21)C1CCOCC1 ZINC001138256904 803881172 /nfs/dbraw/zinc/88/11/72/803881172.db2.gz OVEOMCIILUZNSK-UHFFFAOYSA-N 1 1 286.419 3.488 20 10 CGCDMO Cc1c(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)c2ccccc2n1C ZINC001138253713 803882465 /nfs/dbraw/zinc/88/24/65/803882465.db2.gz DKTOPCGHHSAZLC-DNVCBOLYSA-N 1 1 298.430 3.488 20 10 CGCDMO Cc1c(C[N@H+]2CC[C@@]3(C2)CCCOC3)c2ccccc2n1C ZINC001138258362 803883899 /nfs/dbraw/zinc/88/38/99/803883899.db2.gz QYODMPOIWCIFAD-LJQANCHMSA-N 1 1 298.430 3.489 20 10 CGCDMO CN1CCCc2cc(C[N@@H+]3CC[C@@](C)(F)[C@H](F)C3)ccc21 ZINC001138354611 803900870 /nfs/dbraw/zinc/90/08/70/803900870.db2.gz PESJRLXTMKDVSC-IAGOWNOFSA-N 1 1 294.389 3.341 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CC[C@@](C)(F)[C@H](F)C3)ccc21 ZINC001138354611 803900875 /nfs/dbraw/zinc/90/08/75/803900875.db2.gz PESJRLXTMKDVSC-IAGOWNOFSA-N 1 1 294.389 3.341 20 10 CGCDMO COc1ccc(F)cc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001138376940 803909572 /nfs/dbraw/zinc/90/95/72/803909572.db2.gz XTRIPKVPODISDG-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO CCn1nc(C)c(C[N@@H+](CC)Cc2ccccc2O)c1C ZINC001138646551 803992041 /nfs/dbraw/zinc/99/20/41/803992041.db2.gz RLXVFVAHPVOLPI-UHFFFAOYSA-N 1 1 287.407 3.248 20 10 CGCDMO CC[N@@H+](Cc1cnc2ccccc2n1)Cc1ccccc1O ZINC001138865432 804058997 /nfs/dbraw/zinc/05/89/97/804058997.db2.gz KOXGCNLEWRDQPL-UHFFFAOYSA-N 1 1 293.370 3.358 20 10 CGCDMO CC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC001139673920 804247052 /nfs/dbraw/zinc/24/70/52/804247052.db2.gz NGLDNDSXWHVZFJ-QGZVFWFLSA-N 1 1 274.408 3.005 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@@](C)(O)[C@H](C)C2)ccc1N(C)C ZINC001139669882 804247510 /nfs/dbraw/zinc/24/75/10/804247510.db2.gz QYOHNTGFQFMEOE-CRAIPNDOSA-N 1 1 290.451 3.044 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)ccc1N(C)C ZINC001139671754 804247780 /nfs/dbraw/zinc/24/77/80/804247780.db2.gz ZHCSILIJDSYIDI-WMZOPIPTSA-N 1 1 288.435 3.062 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@](C)(CO)CC2)ccc1N(C)C ZINC001139669709 804248050 /nfs/dbraw/zinc/24/80/50/804248050.db2.gz IQEPPYDXWCNKPI-SFHVURJKSA-N 1 1 290.451 3.046 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@](C)(O)[C@H](C)C2)ccc1N(C)C ZINC001139669885 804248362 /nfs/dbraw/zinc/24/83/62/804248362.db2.gz QYOHNTGFQFMEOE-QAPCUYQASA-N 1 1 290.451 3.044 20 10 CGCDMO Oc1ccc(F)cc1C[N@@H+]1CCCC(F)(F)[C@H](F)C1 ZINC001140058438 804364394 /nfs/dbraw/zinc/36/43/94/804364394.db2.gz ZBLRMMAOEHSYFL-GFCCVEGCSA-N 1 1 277.261 3.101 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCCC(F)(F)[C@H](F)C1 ZINC001140058438 804364402 /nfs/dbraw/zinc/36/44/02/804364402.db2.gz ZBLRMMAOEHSYFL-GFCCVEGCSA-N 1 1 277.261 3.101 20 10 CGCDMO CO[C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(C)ccc(C)c3O)C[C@@H]21 ZINC001140180526 804396963 /nfs/dbraw/zinc/39/69/63/804396963.db2.gz YLRCRSRHFOAHGI-HYVNUMGLSA-N 1 1 289.419 3.256 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+](C)CCc2cccnc2)c1O ZINC001140182700 804397016 /nfs/dbraw/zinc/39/70/16/804397016.db2.gz XRFVRUORCOUDAI-UHFFFAOYSA-N 1 1 270.376 3.079 20 10 CGCDMO OCC[N@@H+](Cc1cccs1)Cc1c(O)cccc1Cl ZINC001140344041 804419466 /nfs/dbraw/zinc/41/94/66/804419466.db2.gz FCEUXRQJOPCNGA-UHFFFAOYSA-N 1 1 297.807 3.102 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCc2cccc(O)c2C1 ZINC001140342089 804420070 /nfs/dbraw/zinc/42/00/70/804420070.db2.gz UHWCYRCUGCTSTL-UHFFFAOYSA-N 1 1 289.762 3.310 20 10 CGCDMO CC(C)[N@@H+](CCCCCO)Cc1c(O)cccc1Cl ZINC001140342463 804420803 /nfs/dbraw/zinc/42/08/03/804420803.db2.gz KCOJAXZCLBNJRJ-UHFFFAOYSA-N 1 1 285.815 3.419 20 10 CGCDMO CCCO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140466479 804444077 /nfs/dbraw/zinc/44/40/77/804444077.db2.gz HBDCEZIVGDFZOR-ZDUSSCGKSA-N 1 1 269.772 3.047 20 10 CGCDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140583321 804466880 /nfs/dbraw/zinc/46/68/80/804466880.db2.gz DYMVEYWFNDNOPD-AOOOYVTPSA-N 1 1 255.308 3.148 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1cc(C)ccc1O ZINC001140622591 804477002 /nfs/dbraw/zinc/47/70/02/804477002.db2.gz BIGWOYJNDVPJAQ-UHFFFAOYSA-N 1 1 271.360 3.428 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](Oc3ccncc3C)C2)c1 ZINC001140624320 804478053 /nfs/dbraw/zinc/47/80/53/804478053.db2.gz QNRDJIDQDQIZAB-MRXNPFEDSA-N 1 1 298.386 3.057 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(O)c(C)c2O)cc1 ZINC001140744296 804502969 /nfs/dbraw/zinc/50/29/69/804502969.db2.gz SLJCHEKRXUCKHI-UHFFFAOYSA-N 1 1 287.359 3.047 20 10 CGCDMO Cc1c(O)ccc(C[N@@H+](C)CCc2cccc(F)c2)c1O ZINC001140749627 804505292 /nfs/dbraw/zinc/50/52/92/804505292.db2.gz GWBZEMLNKMDZMY-UHFFFAOYSA-N 1 1 289.350 3.220 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](F)C2)c(O)c1 ZINC001140855128 804533948 /nfs/dbraw/zinc/53/39/48/804533948.db2.gz OIEBQWKTXLVZTB-CQSZACIVSA-N 1 1 280.387 3.172 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@](CF)(C(F)(F)F)C2)c(O)c1 ZINC001140948136 804556144 /nfs/dbraw/zinc/55/61/44/804556144.db2.gz UYJFCNIVXNTZKZ-CYBMUJFWSA-N 1 1 291.288 3.425 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCc3ncc(Cl)cc3C2)c(O)c1 ZINC001140958226 804558842 /nfs/dbraw/zinc/55/88/42/804558842.db2.gz VAJHAOAUFNAGRX-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1ccc(C[N@H+]2CCc3ncc(Cl)cc3C2)c(O)c1 ZINC001140958226 804558846 /nfs/dbraw/zinc/55/88/46/804558846.db2.gz VAJHAOAUFNAGRX-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO C[NH+](C)C1(c2nnc(-c3ccc(-n4cccc4)cc3)o2)CC1 ZINC001256965935 807019483 /nfs/dbraw/zinc/01/94/83/807019483.db2.gz NXRHLMNQWHAUCC-UHFFFAOYSA-N 1 1 294.358 3.078 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c(OC)c1 ZINC001141029173 804575128 /nfs/dbraw/zinc/57/51/28/804575128.db2.gz LEOWCPZCJWFOKC-DOMZBBRYSA-N 1 1 291.391 3.174 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074882 804584576 /nfs/dbraw/zinc/58/45/76/804584576.db2.gz WBTRHDDXHJBXME-AWEZNQCLSA-N 1 1 270.420 3.227 20 10 CGCDMO CCC[N@@H+](C)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074243 804585971 /nfs/dbraw/zinc/58/59/71/804585971.db2.gz CSSDPQJXFJUPNC-UHFFFAOYSA-N 1 1 258.409 3.227 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2ccc3c(c2)OCCN3C)cc1 ZINC001141142852 804596611 /nfs/dbraw/zinc/59/66/11/804596611.db2.gz CWGCLGHEICIKQU-UHFFFAOYSA-N 1 1 296.414 3.456 20 10 CGCDMO CCC[N@H+](Cc1ccc2c(c1)OCCN2C)CC(C)C ZINC001141145220 804598472 /nfs/dbraw/zinc/59/84/72/804598472.db2.gz SAMZNRIYVHXLNG-UHFFFAOYSA-N 1 1 276.424 3.383 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2O)Cc2ccccc21 ZINC001141156904 804599522 /nfs/dbraw/zinc/59/95/22/804599522.db2.gz XFFJTDKTPHMTHJ-GFCCVEGCSA-N 1 1 269.344 3.217 20 10 CGCDMO CC[N@@H+](Cc1[nH]cnc1C(C)(C)C)Cc1ccccc1O ZINC001142234922 804705810 /nfs/dbraw/zinc/70/58/10/804705810.db2.gz KHXPCXRSNDHOES-UHFFFAOYSA-N 1 1 287.407 3.435 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001142513074 804729242 /nfs/dbraw/zinc/72/92/42/804729242.db2.gz VZXABMQNVKHLTQ-WDEREUQCSA-N 1 1 267.319 3.292 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001142513074 804729243 /nfs/dbraw/zinc/72/92/43/804729243.db2.gz VZXABMQNVKHLTQ-WDEREUQCSA-N 1 1 267.319 3.292 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC001142524655 804731758 /nfs/dbraw/zinc/73/17/58/804731758.db2.gz FXZGDOLURCAZHR-GFCCVEGCSA-N 1 1 290.313 3.055 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC001142524655 804731761 /nfs/dbraw/zinc/73/17/61/804731761.db2.gz FXZGDOLURCAZHR-GFCCVEGCSA-N 1 1 290.313 3.055 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)Cc1cc(F)c(F)cc1O ZINC001142527053 804732861 /nfs/dbraw/zinc/73/28/61/804732861.db2.gz IOXGPNGFIMXYPO-UHFFFAOYSA-N 1 1 293.313 3.398 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1cc(F)c(F)cc1O ZINC001142527053 804732863 /nfs/dbraw/zinc/73/28/63/804732863.db2.gz IOXGPNGFIMXYPO-UHFFFAOYSA-N 1 1 293.313 3.398 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2O)[C@H]1CO ZINC001143103531 804802617 /nfs/dbraw/zinc/80/26/17/804802617.db2.gz FISLURWXWAONBZ-CJNGLKHVSA-N 1 1 291.435 3.283 20 10 CGCDMO C[N@@H+](Cc1cc(Br)c(F)cc1O)CC1CC1 ZINC001144298282 804969735 /nfs/dbraw/zinc/96/97/35/804969735.db2.gz ATDFXIGHGXZWHD-UHFFFAOYSA-N 1 1 288.160 3.136 20 10 CGCDMO C[N@H+](Cc1cc(Br)c(F)cc1O)CC1CC1 ZINC001144298282 804969741 /nfs/dbraw/zinc/96/97/41/804969741.db2.gz ATDFXIGHGXZWHD-UHFFFAOYSA-N 1 1 288.160 3.136 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc3n2CCC3)cc1 ZINC001248825334 805009164 /nfs/dbraw/zinc/00/91/64/805009164.db2.gz ZPNDDELSQYQPDP-UHFFFAOYSA-N 1 1 283.419 3.132 20 10 CGCDMO CC[N@@H+](Cc1ncn2ccccc12)Cc1ccccc1O ZINC001144625443 805017557 /nfs/dbraw/zinc/01/75/57/805017557.db2.gz MOFNUJFXFQFBTC-UHFFFAOYSA-N 1 1 281.359 3.062 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCCOCC1 ZINC001170835449 807921603 /nfs/dbraw/zinc/92/16/03/807921603.db2.gz TYDHSRCGNNQGTD-QGZVFWFLSA-N 1 1 276.424 3.144 20 10 CGCDMO CCOCC[C@H](C)[N@@H+](CC)Cc1ccccc1O ZINC001172434507 808311801 /nfs/dbraw/zinc/31/18/01/808311801.db2.gz XQXOKABRLCDLSM-ZDUSSCGKSA-N 1 1 251.370 3.029 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC001180963360 810029701 /nfs/dbraw/zinc/02/97/01/810029701.db2.gz YDOFLAGYDQTCSP-INIZCTEOSA-N 1 1 297.345 3.061 20 10 CGCDMO Cc1cc(C[C@@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)n[nH]1 ZINC001201441460 811848715 /nfs/dbraw/zinc/84/87/15/811848715.db2.gz BECBYFQYONWVPJ-CQSZACIVSA-N 1 1 298.434 3.039 20 10 CGCDMO COc1cccc(C[N@@H+](C)CC/C=C/c2cccnc2)c1O ZINC001203599222 812405053 /nfs/dbraw/zinc/40/50/53/812405053.db2.gz DLGZJDYOAWYUQW-XVNBXDOJSA-N 1 1 298.386 3.331 20 10 CGCDMO CC[N@H+](CCN1CCCCC1)Cc1cc(Cl)ccc1O ZINC001203664284 812422467 /nfs/dbraw/zinc/42/24/67/812422467.db2.gz WACPGHFJSYCCRT-UHFFFAOYSA-N 1 1 296.842 3.353 20 10 CGCDMO CC[N@@H+](CCN1CCCCC1)Cc1cc(Cl)ccc1O ZINC001203664284 812422470 /nfs/dbraw/zinc/42/24/70/812422470.db2.gz WACPGHFJSYCCRT-UHFFFAOYSA-N 1 1 296.842 3.353 20 10 CGCDMO CC[N@@H+](Cc1cccc(OC)c1)Cc1ccc(O)c(O)c1 ZINC001203880354 812478333 /nfs/dbraw/zinc/47/83/33/812478333.db2.gz OVXNKHXFRMZNAS-UHFFFAOYSA-N 1 1 287.359 3.129 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC001203931190 812495091 /nfs/dbraw/zinc/49/50/91/812495091.db2.gz OBNXMZMOWGTRKY-JKSUJKDBSA-N 1 1 258.409 3.375 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2CCC(=O)C[C@H]2C)cc1 ZINC001203936134 812495873 /nfs/dbraw/zinc/49/58/73/812495873.db2.gz JMNSHMAAIHWJQB-CQSZACIVSA-N 1 1 274.408 3.086 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC(=O)C[C@H]2C)cc1 ZINC001203936134 812495875 /nfs/dbraw/zinc/49/58/75/812495875.db2.gz JMNSHMAAIHWJQB-CQSZACIVSA-N 1 1 274.408 3.086 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@]3(CCO3)C2)cc1 ZINC001203942378 812497880 /nfs/dbraw/zinc/49/78/80/812497880.db2.gz NHJVRPUAEDGAMA-GOSISDBHSA-N 1 1 288.435 3.288 20 10 CGCDMO C[N@@H+](Cc1ccc[nH]1)Cc1ccc(N2CCCC2)cc1 ZINC001204010961 812517469 /nfs/dbraw/zinc/51/74/69/812517469.db2.gz YTPWDRZENXNWMA-UHFFFAOYSA-N 1 1 269.392 3.247 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@](C)(CO)C2)c2ccccc21 ZINC001204233648 812580110 /nfs/dbraw/zinc/58/01/10/812580110.db2.gz UDAOTWGVCPDPHQ-LJQANCHMSA-N 1 1 298.430 3.110 20 10 CGCDMO COC[C@@H]1CC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204240642 812583013 /nfs/dbraw/zinc/58/30/13/812583013.db2.gz BSSIGDASQXSOBF-HNNXBMFYSA-N 1 1 284.403 3.127 20 10 CGCDMO Cc1cccc(CC[N@H+](C)Cc2ccc(O)cc2O)c1 ZINC001204279395 812593780 /nfs/dbraw/zinc/59/37/80/812593780.db2.gz XPUKPMWQQFDZOE-UHFFFAOYSA-N 1 1 271.360 3.081 20 10 CGCDMO C[C@]1(CF)CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204324499 812612474 /nfs/dbraw/zinc/61/24/74/812612474.db2.gz LXZZPCJNZVZQFP-QGZVFWFLSA-N 1 1 276.399 3.468 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)CCC1=O ZINC001204323410 812612552 /nfs/dbraw/zinc/61/25/52/812612552.db2.gz HRSARUUAQTVKMI-OAHLLOKOSA-N 1 1 286.419 3.088 20 10 CGCDMO c1cnc2c(c1)CC[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001204328920 812614606 /nfs/dbraw/zinc/61/46/06/812614606.db2.gz UCMWIADLONUVTB-UHFFFAOYSA-N 1 1 293.414 3.240 20 10 CGCDMO CC[N@@H+](Cc1cccc(C(=O)OC)c1)Cc1ccccc1O ZINC001204679177 812707084 /nfs/dbraw/zinc/70/70/84/812707084.db2.gz IWOGWVRJIZICHZ-UHFFFAOYSA-N 1 1 299.370 3.201 20 10 CGCDMO C[C@H]1CC[N@H+](Cc2cc3ccccc3cc2[O-])CC[C@H]1C[NH3+] ZINC001205651524 813042241 /nfs/dbraw/zinc/04/22/41/813042241.db2.gz GDIWXDIYNVPYBG-YOEHRIQHSA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cc3ccccc3cc2[O-])CC[C@H]1C[NH3+] ZINC001205651524 813042248 /nfs/dbraw/zinc/04/22/48/813042248.db2.gz GDIWXDIYNVPYBG-YOEHRIQHSA-N 1 1 298.430 3.352 20 10 CGCDMO CC(C)c1ccc(O)c(C[NH2+][C@H](C)c2csnn2)c1 ZINC001206321983 813288420 /nfs/dbraw/zinc/28/84/20/813288420.db2.gz YWUCYEJELIKASB-SNVBAGLBSA-N 1 1 277.393 3.218 20 10 CGCDMO Cc1cc(C[N@@H+]2CCCC[C@](C)(CN)C2)ccc1N(C)C ZINC001206556781 813351471 /nfs/dbraw/zinc/35/14/71/813351471.db2.gz XEJRZVZUZFIWIO-GOSISDBHSA-N 1 1 289.467 3.012 20 10 CGCDMO Cc1cc(C[N@H+]2CCCC[C@](C)(CN)C2)ccc1N(C)C ZINC001206556781 813351476 /nfs/dbraw/zinc/35/14/76/813351476.db2.gz XEJRZVZUZFIWIO-GOSISDBHSA-N 1 1 289.467 3.012 20 10 CGCDMO C[N@@H+](CCc1cc(F)c(F)cc1F)Cc1ccccc1O ZINC001209253716 813984683 /nfs/dbraw/zinc/98/46/83/813984683.db2.gz VXGVRTJYCDPFMH-UHFFFAOYSA-N 1 1 295.304 3.484 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001209516874 814071235 /nfs/dbraw/zinc/07/12/35/814071235.db2.gz RJQOSXVALIGLDR-GOSISDBHSA-N 1 1 284.403 3.315 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(CN(C)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001209518862 814073459 /nfs/dbraw/zinc/07/34/59/814073459.db2.gz VGCSFIKNYCEIRS-IBGZPJMESA-N 1 1 297.446 3.230 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+](C)[C@H]2CCN(C)C2)cc1 ZINC001209518862 814073465 /nfs/dbraw/zinc/07/34/65/814073465.db2.gz VGCSFIKNYCEIRS-IBGZPJMESA-N 1 1 297.446 3.230 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+](C)[C@H]2CCN(C)C2)cc1 ZINC001209518862 814073472 /nfs/dbraw/zinc/07/34/72/814073472.db2.gz VGCSFIKNYCEIRS-IBGZPJMESA-N 1 1 297.446 3.230 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1ccccc1N(C)C ZINC001209779956 814138349 /nfs/dbraw/zinc/13/83/49/814138349.db2.gz UMNMPYUMEAESNR-UHFFFAOYSA-N 1 1 284.403 3.480 20 10 CGCDMO CC(C)N(C)[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001231589301 818130478 /nfs/dbraw/zinc/13/04/78/818130478.db2.gz GAHDBZIGJJWIKX-INIZCTEOSA-N 1 1 298.430 3.460 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@H](c3ccncc3)C2)c(O)c1 ZINC001231843795 818186227 /nfs/dbraw/zinc/18/62/27/818186227.db2.gz AUMIKSNUTLPKSY-INIZCTEOSA-N 1 1 282.387 3.394 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001231851373 818188348 /nfs/dbraw/zinc/18/83/48/818188348.db2.gz GJGXRMSQCKIZQI-LSDHHAIUSA-N 1 1 288.435 3.383 20 10 CGCDMO Cc1cnc2c(c1)C[N@H+](Cc1c(C)cc(C)cc1O)CC2 ZINC001231850947 818188561 /nfs/dbraw/zinc/18/85/61/818188561.db2.gz XJWPUCACOFWTPL-UHFFFAOYSA-N 1 1 282.387 3.271 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@H](COCC3CC3)C2)c(O)c1 ZINC001231849708 818188747 /nfs/dbraw/zinc/18/87/47/818188747.db2.gz USZGDASXIGGPSL-INIZCTEOSA-N 1 1 289.419 3.258 20 10 CGCDMO CCCC[N@@H+](CC(=O)OCC)Cc1c(C)cc(C)cc1O ZINC001231849144 818189344 /nfs/dbraw/zinc/18/93/44/818189344.db2.gz OFJDPBDNWNBPOI-UHFFFAOYSA-N 1 1 293.407 3.174 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCc3cnccc3C2)cc1Cl ZINC001231866363 818192511 /nfs/dbraw/zinc/19/25/11/818192511.db2.gz FENXPKREIGIRMX-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO CC(=O)[C@@H]1CCC[N@H+]1Cc1ccc2ccccc2c1O ZINC001231883384 818201648 /nfs/dbraw/zinc/20/16/48/818201648.db2.gz JINHQMBKODOYHK-INIZCTEOSA-N 1 1 269.344 3.099 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCC[C@@]1(C)O ZINC001231909655 818208372 /nfs/dbraw/zinc/20/83/72/818208372.db2.gz GXUFOGSBIJOQJN-XHDPSFHLSA-N 1 1 283.799 3.029 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232194498 818274761 /nfs/dbraw/zinc/27/47/61/818274761.db2.gz IQJXTHQOFMNXFJ-ZDUSSCGKSA-N 1 1 294.826 3.018 20 10 CGCDMO COc1cc(O)c(C[N@@H+]2CCC[C@@](C)(F)C2)cc1Cl ZINC001232266924 818297381 /nfs/dbraw/zinc/29/73/81/818297381.db2.gz SRDAYAVPDACOKN-CQSZACIVSA-N 1 1 287.762 3.378 20 10 CGCDMO COc1cc(O)c(C[N@H+]2C[C@H](C)CC23CC3)cc1Cl ZINC001232267409 818298130 /nfs/dbraw/zinc/29/81/30/818298130.db2.gz BKRCYBHPRUTNDX-SNVBAGLBSA-N 1 1 281.783 3.429 20 10 CGCDMO CSc1cc(C)c(C[N@@H+](C)Cc2ccccc2O)cn1 ZINC001232350938 818326143 /nfs/dbraw/zinc/32/61/43/818326143.db2.gz ZXTZWXYOMUJVPE-UHFFFAOYSA-N 1 1 288.416 3.450 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c(O)c1 ZINC001232835081 818452095 /nfs/dbraw/zinc/45/20/95/818452095.db2.gz VDPRLEXHVGLGFL-MRXNPFEDSA-N 1 1 296.414 3.448 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCc3ccccc3C2)c(O)c1 ZINC001232833714 818452574 /nfs/dbraw/zinc/45/25/74/818452574.db2.gz CYOMSXOXZOJEAU-UHFFFAOYSA-N 1 1 282.387 3.017 20 10 CGCDMO C[N@@H+](Cc1cccc(O)c1)Cc1ccc(F)c(F)c1[O-] ZINC001233074801 818517387 /nfs/dbraw/zinc/51/73/87/818517387.db2.gz XHTXEMPAKDTHHC-UHFFFAOYSA-N 1 1 279.286 3.008 20 10 CGCDMO C[C@H]1C[C@H](C)C[NH+](Cc2c(O)ccc(F)c2F)C1 ZINC001233335021 818586798 /nfs/dbraw/zinc/58/67/98/818586798.db2.gz DQJUYGKGOJUCHS-UWVGGRQHSA-N 1 1 255.308 3.148 20 10 CGCDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234990634 818970625 /nfs/dbraw/zinc/97/06/25/818970625.db2.gz IUDBAVROMFPKLB-PBHICJAKSA-N 1 1 297.398 3.262 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2O)CCC1=O ZINC001235673950 819134888 /nfs/dbraw/zinc/13/48/88/819134888.db2.gz BWWKDMRWWJZOMP-GFCCVEGCSA-N 1 1 275.392 3.101 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2O)CCC1=O ZINC001235673950 819134891 /nfs/dbraw/zinc/13/48/91/819134891.db2.gz BWWKDMRWWJZOMP-GFCCVEGCSA-N 1 1 275.392 3.101 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2O)CCC[C@@H]1O ZINC001235676361 819136802 /nfs/dbraw/zinc/13/68/02/819136802.db2.gz RDUKAZWFBMGOSM-BBRMVZONSA-N 1 1 291.435 3.283 20 10 CGCDMO COC[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235676057 819136978 /nfs/dbraw/zinc/13/69/78/819136978.db2.gz OWQPTCKQPYIVLI-ZDUSSCGKSA-N 1 1 277.408 3.158 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CCC[C@](C)(O)CC2)c(O)c1 ZINC001235676958 819137160 /nfs/dbraw/zinc/13/71/60/819137160.db2.gz YQUXMTVTTCOVOF-SFHVURJKSA-N 1 1 291.435 3.427 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CCC[C@@](C)(O)CC2)c(O)c1 ZINC001235676957 819137345 /nfs/dbraw/zinc/13/73/45/819137345.db2.gz YQUXMTVTTCOVOF-GOSISDBHSA-N 1 1 291.435 3.427 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CCC[C@](C)(O)C2)c(O)c1 ZINC001235685239 819142768 /nfs/dbraw/zinc/14/27/68/819142768.db2.gz NPYGFZNSMYCZAG-KRWDZBQOSA-N 1 1 277.408 3.037 20 10 CGCDMO CC(C)(C)c1cc([O-])c(C[NH+]2CC(CC[NH3+])C2)cc1Cl ZINC001235921985 819222049 /nfs/dbraw/zinc/22/20/49/819222049.db2.gz RJJHHEZWRKNIHJ-UHFFFAOYSA-N 1 1 296.842 3.124 20 10 CGCDMO CN(Cc1cccc(C(C)(C)C)c1O)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219643 819386275 /nfs/dbraw/zinc/38/62/75/819386275.db2.gz XCVBUINXDAVXFY-CVEARBPZSA-N 1 1 290.451 3.391 20 10 CGCDMO Nc1ccc2c(c1)C[N@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001236234192 819395708 /nfs/dbraw/zinc/39/57/08/819395708.db2.gz YKEUGJQSUBNDDM-UHFFFAOYSA-N 1 1 288.778 3.186 20 10 CGCDMO C[C@H]1C[NH+](Cc2ccc(N(C)C)c3ccccc23)C[C@H](C)N1 ZINC001236423254 819470494 /nfs/dbraw/zinc/47/04/94/819470494.db2.gz ZRNRASDBHOYWOG-GJZGRUSLSA-N 1 1 297.446 3.088 20 10 CGCDMO CCc1ccc(C[N@H+]2CCc3occc3C2)c(O)c1 ZINC001236791771 819596040 /nfs/dbraw/zinc/59/60/40/819596040.db2.gz KODQYJZUZDUVBV-UHFFFAOYSA-N 1 1 257.333 3.106 20 10 CGCDMO COc1cc(O)c(C[N@@H+]2CC[C@H](OC)C[C@H]2C)c(Cl)c1 ZINC001236805407 819602842 /nfs/dbraw/zinc/60/28/42/819602842.db2.gz FSINOCIGESBCTR-MNOVXSKESA-N 1 1 299.798 3.054 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@@H](OC)CC2)c(O)c1Cl ZINC001236812234 819604749 /nfs/dbraw/zinc/60/47/49/819604749.db2.gz UCESXYQLRSRPRL-GFCCVEGCSA-N 1 1 299.798 3.055 20 10 CGCDMO COc1ccc(C[N@@H+]2CCC[C@@H](OC)CC2)c(O)c1Cl ZINC001236812234 819604754 /nfs/dbraw/zinc/60/47/54/819604754.db2.gz UCESXYQLRSRPRL-GFCCVEGCSA-N 1 1 299.798 3.055 20 10 CGCDMO CC[C@@H]1COCC[N@H+]1Cc1cc2ccccc2cc1O ZINC001236832605 819611084 /nfs/dbraw/zinc/61/10/84/819611084.db2.gz IZQFFCYCRRZOEK-MRXNPFEDSA-N 1 1 271.360 3.156 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001236832626 819611208 /nfs/dbraw/zinc/61/12/08/819611208.db2.gz JIVGQEOPGKISFJ-XHVUQVIVSA-N 1 1 295.382 3.155 20 10 CGCDMO CC[C@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236924056 819636961 /nfs/dbraw/zinc/63/69/61/819636961.db2.gz JYKXJWHCVCKORU-ZDUSSCGKSA-N 1 1 296.842 3.407 20 10 CGCDMO CC(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)CC2)c(O)c1 ZINC001237044815 819650315 /nfs/dbraw/zinc/65/03/15/819650315.db2.gz DSMJAPIKXUXXRC-XJKSGUPXSA-N 1 1 277.408 3.108 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CC[C@]3(CCOC3)C2)c(O)c1 ZINC001237046540 819650595 /nfs/dbraw/zinc/65/05/95/819650595.db2.gz TVPKOORFQVWBOG-KRWDZBQOSA-N 1 1 275.392 3.128 20 10 CGCDMO CCCCN1CC[NH+](Cc2ccc(C(C)C)cc2O)CC1 ZINC001237054484 819653925 /nfs/dbraw/zinc/65/39/25/819653925.db2.gz ZMTYVWUOQBACMJ-UHFFFAOYSA-N 1 1 290.451 3.433 20 10 CGCDMO C[N@H+](Cc1c(O)ccc(Cl)c1Cl)[C@H]1CCCOC1 ZINC001237086717 819664298 /nfs/dbraw/zinc/66/42/98/819664298.db2.gz NWEQDWGDJPSNES-VIFPVBQESA-N 1 1 290.190 3.310 20 10 CGCDMO C[N@@H+](Cc1c(O)ccc(Cl)c1Cl)[C@H]1CCCOC1 ZINC001237086717 819664301 /nfs/dbraw/zinc/66/43/01/819664301.db2.gz NWEQDWGDJPSNES-VIFPVBQESA-N 1 1 290.190 3.310 20 10 CGCDMO CC(C)[N@@H+](C)Cc1c(O)cccc1OC(F)(F)F ZINC001237120096 819672008 /nfs/dbraw/zinc/67/20/08/819672008.db2.gz MBAMCTJXEACPLF-UHFFFAOYSA-N 1 1 263.259 3.131 20 10 CGCDMO C[N@@H+](CCc1ccccn1)Cc1c(O)ccc(F)c1Cl ZINC001237122260 819673054 /nfs/dbraw/zinc/67/30/54/819673054.db2.gz SKWXBSXKNZLZGD-UHFFFAOYSA-N 1 1 294.757 3.254 20 10 CGCDMO Oc1ccc(F)c(Cl)c1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001237122839 819673745 /nfs/dbraw/zinc/67/37/45/819673745.db2.gz ZNSFHAZIGQEXOT-YGRLFVJLSA-N 1 1 299.773 3.186 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237138801 819677140 /nfs/dbraw/zinc/67/71/40/819677140.db2.gz YXQOXIHXSZINIL-LBPRGKRZSA-N 1 1 289.297 3.022 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@](C)(F)CC1 ZINC001237484563 819761742 /nfs/dbraw/zinc/76/17/42/819761742.db2.gz FYDRHKSBPCLSNH-HNNXBMFYSA-N 1 1 251.345 3.415 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H]1c1nccs1 ZINC001237486976 819762392 /nfs/dbraw/zinc/76/23/92/819762392.db2.gz FDLMQUKOKAHXKA-CYBMUJFWSA-N 1 1 274.389 3.494 20 10 CGCDMO COc1cc(C[N@@H+](C)CC2CCCCC2)c(O)c(OC)c1 ZINC001237678027 819803291 /nfs/dbraw/zinc/80/32/91/819803291.db2.gz JIIQHMFABZIQSO-UHFFFAOYSA-N 1 1 293.407 3.422 20 10 CGCDMO Cc1cc(F)cc(C[N@@H+](C)Cc2ccccc2O)c1O ZINC001238069865 819925473 /nfs/dbraw/zinc/92/54/73/819925473.db2.gz KVHUPSUTHSVQDW-UHFFFAOYSA-N 1 1 275.323 3.177 20 10 CGCDMO Cc1cc(C[N@@H+]2CCc3cccc(O)c3C2)ncc1Cl ZINC001238421017 819990270 /nfs/dbraw/zinc/99/02/70/819990270.db2.gz DRKMJSCSGFVQQR-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1cc(C[N@H+]2CCc3cccc(O)c3C2)ncc1Cl ZINC001238421017 819990272 /nfs/dbraw/zinc/99/02/72/819990272.db2.gz DRKMJSCSGFVQQR-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC001345481977 936812257 /nfs/dbraw/zinc/81/22/57/936812257.db2.gz JDFKJARRRVBXTL-STQMWFEESA-N 1 1 272.392 3.194 20 10 CGCDMO C[N@H+](Cc1cccs1)Cc1cc(F)cc(F)c1O ZINC001474315681 937204558 /nfs/dbraw/zinc/20/45/58/937204558.db2.gz SYLGGXQKNOTMPL-UHFFFAOYSA-N 1 1 269.316 3.364 20 10 CGCDMO C[N@@H+](Cc1cccs1)Cc1cc(F)cc(F)c1O ZINC001474315681 937204561 /nfs/dbraw/zinc/20/45/61/937204561.db2.gz SYLGGXQKNOTMPL-UHFFFAOYSA-N 1 1 269.316 3.364 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2O)CCS1 ZINC001461954717 928770073 /nfs/dbraw/zinc/77/00/73/928770073.db2.gz CHZZKSPKBSAYFM-GFCCVEGCSA-N 1 1 271.813 3.373 20 10 CGCDMO COC[C@@H]1CCCC[N@H+]1Cc1c(C)ccc(C)c1O ZINC001140178495 931956918 /nfs/dbraw/zinc/95/69/18/931956918.db2.gz MQSFXDRGSWFDSO-AWEZNQCLSA-N 1 1 263.381 3.010 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C[C@H](C)O1 ZINC001462433543 937640649 /nfs/dbraw/zinc/64/06/49/937640649.db2.gz BVYVJVSDEFADSO-MNOVXSKESA-N 1 1 269.772 3.045 20 10 CGCDMO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]Cc1cc(F)c(F)cc1O ZINC001462575421 937651381 /nfs/dbraw/zinc/65/13/81/937651381.db2.gz CGCLWELCIAGTNI-PKZYVASSSA-N 1 1 267.319 3.052 20 10 CGCDMO CCCC[N@H+](Cc1cc(F)c(F)cc1O)C1CC1 ZINC001308588693 933138204 /nfs/dbraw/zinc/13/82/04/933138204.db2.gz ACIZBCVIKAMHSY-UHFFFAOYSA-N 1 1 255.308 3.435 20 10 CGCDMO CCCC[N@@H+](Cc1cc(F)c(F)cc1O)C1CC1 ZINC001308588693 933138206 /nfs/dbraw/zinc/13/82/06/933138206.db2.gz ACIZBCVIKAMHSY-UHFFFAOYSA-N 1 1 255.308 3.435 20 10 CGCDMO CC[C@@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C[C@@H](C)O1 ZINC001308632434 933146777 /nfs/dbraw/zinc/14/67/77/933146777.db2.gz ZXMYIPPQXYPVFL-YOBDTOFLSA-N 1 1 288.435 3.265 20 10 CGCDMO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(N(C)C)cc1C ZINC001308660496 933152146 /nfs/dbraw/zinc/15/21/46/933152146.db2.gz QBBZMVPCRJPOGP-GDBMZVCRSA-N 1 1 276.424 3.060 20 10 CGCDMO CC(C)c1nnc(C[NH2+]Cc2cc(C(C)C)ccc2O)[nH]1 ZINC001308781813 933175187 /nfs/dbraw/zinc/17/51/87/933175187.db2.gz HHLCDYLWYKXISO-UHFFFAOYSA-N 1 1 288.395 3.047 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC001308944321 933210049 /nfs/dbraw/zinc/21/00/49/933210049.db2.gz QMGSJKBZLABEMT-LLVKDONJSA-N 1 1 299.773 3.234 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](Cc2ccccc2)[C@H](C)CO)c1 ZINC001324749091 934562506 /nfs/dbraw/zinc/56/25/06/934562506.db2.gz CIWUQKUHCUCSFO-OAHLLOKOSA-N 1 1 285.387 3.084 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H]1C ZINC001325127498 934887246 /nfs/dbraw/zinc/88/72/46/934887246.db2.gz HSFHFWRGCRRDFX-MAUKXSAKSA-N 1 1 288.435 3.144 20 10 CGCDMO CCN1CCC[C@@H](C[NH2+][C@H](C)c2cc(C)ccc2O)C1 ZINC001325339880 934905856 /nfs/dbraw/zinc/90/58/56/934905856.db2.gz LOKVRBCEYZZETB-CABCVRRESA-N 1 1 276.424 3.083 20 10 CGCDMO C[NH2+][C@H](C)CCN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC001325743627 934925547 /nfs/dbraw/zinc/92/55/47/934925547.db2.gz PYTXECJKWXIACF-HZPDHXFCSA-N 1 1 289.467 3.326 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCC[C@H](F)C1)c1c(O)cccc1F ZINC001332365916 935463463 /nfs/dbraw/zinc/46/34/63/935463463.db2.gz SEJHMWAMZYCLRO-DCAQKATOSA-N 1 1 255.308 3.463 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](CF)C2)cc1C ZINC001333310779 935524655 /nfs/dbraw/zinc/52/46/55/935524655.db2.gz RJMWFRRKYAPVHN-ZDUSSCGKSA-N 1 1 251.345 3.191 20 10 CGCDMO CC[N@@H+](Cc1ccc(N)cc1)Cc1ccc2c(c1)OCO2 ZINC001334754847 936112111 /nfs/dbraw/zinc/11/21/11/936112111.db2.gz STOCMIMWTXQJLR-UHFFFAOYSA-N 1 1 284.359 3.020 20 10 CGCDMO C[N@@H+](Cc1ccc(N)cc1)[C@H]1CCCN(c2ccccc2)C1 ZINC001336118000 936176903 /nfs/dbraw/zinc/17/69/03/936176903.db2.gz ULLUJRBFOUAFKV-IBGZPJMESA-N 1 1 295.430 3.370 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2ccc(N)cc2)C[C@@H](c2ccsc2)O1 ZINC001337837580 936293523 /nfs/dbraw/zinc/29/35/23/936293523.db2.gz CSSWODQYULUJKH-WBMJQRKESA-N 1 1 288.416 3.292 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N)cc2)C[C@@H](c2ccsc2)O1 ZINC001337837580 936293528 /nfs/dbraw/zinc/29/35/28/936293528.db2.gz CSSWODQYULUJKH-WBMJQRKESA-N 1 1 288.416 3.292 20 10 CGCDMO CC[N@H+](Cc1cn(C2CC2)cn1)Cc1ccc(N(C)C)cc1 ZINC001474409129 937858129 /nfs/dbraw/zinc/85/81/29/937858129.db2.gz PQBVHJISDIVLAG-UHFFFAOYSA-N 1 1 298.434 3.306 20 10 CGCDMO CC[N@@H+](Cc1cn(C2CC2)cn1)Cc1ccc(N(C)C)cc1 ZINC001474409129 937858131 /nfs/dbraw/zinc/85/81/31/937858131.db2.gz PQBVHJISDIVLAG-UHFFFAOYSA-N 1 1 298.434 3.306 20 10 CGCDMO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1cc(F)c(F)cc1O ZINC001560778508 938275539 /nfs/dbraw/zinc/27/55/39/938275539.db2.gz DCJDIJWKMOTHBR-GDBMZVCRSA-N 1 1 299.361 3.354 20 10 CGCDMO C[C@]1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCCCO1 ZINC001561030450 938290440 /nfs/dbraw/zinc/29/04/40/938290440.db2.gz NYRFAEMYJVCRSB-CQSZACIVSA-N 1 1 287.762 3.234 20 10 CGCDMO CCCOc1ccc(CN[C@H]2C[C@@H]([NH3+])C23CCC3)cc1C ZINC001577585730 962552894 /nfs/dbraw/zinc/55/28/94/962552894.db2.gz ACTIAFMOSQXYEE-SJORKVTESA-N 1 1 288.435 3.143 20 10 CGCDMO CCCOc1ccc(CNC[C@]2(C)CCC[NH2+]C2)cc1C ZINC001577586340 962558539 /nfs/dbraw/zinc/55/85/39/962558539.db2.gz QCMNRHZBEJEJLZ-GOSISDBHSA-N 1 1 290.451 3.263 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1O ZINC000180424394 346254517 /nfs/dbraw/zinc/25/45/17/346254517.db2.gz NDMQFPFATKQHCL-DOMZBBRYSA-N 1 1 296.842 3.269 20 10 CGCDMO C[C@H](CCN(C)C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000049553582 369409199 /nfs/dbraw/zinc/40/91/99/369409199.db2.gz GWJKKVQXPPFBHT-MRXNPFEDSA-N 1 1 289.467 3.107 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c1 ZINC000093501429 370135786 /nfs/dbraw/zinc/13/57/86/370135786.db2.gz JHTQHTICNUOPHV-RYUDHWBXSA-N 1 1 251.395 3.026 20 10 CGCDMO COc1cccc(C[N@@H+](CC(C)C)C(C)C)c1O ZINC000133519695 371257632 /nfs/dbraw/zinc/25/76/32/371257632.db2.gz LQICCORIGQGDCG-UHFFFAOYSA-N 1 1 251.370 3.267 20 10 CGCDMO CS[C@@H](C)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293628686 372429790 /nfs/dbraw/zinc/42/97/90/372429790.db2.gz NAJBLOMEMNNKEP-ZETCQYMHSA-N 1 1 263.765 3.026 20 10 CGCDMO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1O ZINC000294704634 372668709 /nfs/dbraw/zinc/66/87/09/372668709.db2.gz BMVUEEDPVCQUQV-NQKGRLOXSA-N 1 1 274.408 3.058 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)[C@H](C)c2ccco2)c1 ZINC000179682693 373905355 /nfs/dbraw/zinc/90/53/55/373905355.db2.gz QBVSCGOIBNVWJY-LLVKDONJSA-N 1 1 261.321 3.187 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1OC ZINC000179852038 373927840 /nfs/dbraw/zinc/92/78/40/373927840.db2.gz IYSCPUPPUIWIAO-OCCSQVGLSA-N 1 1 291.391 3.174 20 10 CGCDMO CC[N@@H+](Cc1ccccn1)Cc1cccc(C)c1O ZINC000180200037 373976406 /nfs/dbraw/zinc/97/64/06/373976406.db2.gz IYNGXEJKMUTVLZ-UHFFFAOYSA-N 1 1 256.349 3.118 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)CCc2ccncc2)cc1C ZINC000183753818 374452222 /nfs/dbraw/zinc/45/22/22/374452222.db2.gz RBQWWMXZPBNDRF-UHFFFAOYSA-N 1 1 270.376 3.079 20 10 CGCDMO C[C@H](O)CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000192866873 375795578 /nfs/dbraw/zinc/79/55/78/375795578.db2.gz SDIXGEGARDYZAY-YUMQZZPRSA-N 1 1 278.179 3.121 20 10 CGCDMO C[C@@H](O)C[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000192772898 375788095 /nfs/dbraw/zinc/78/80/95/375788095.db2.gz JTUPAVJKOIFPKH-CABCVRRESA-N 1 1 285.387 3.336 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)Cc2cccs2)c1 ZINC000271719254 378500226 /nfs/dbraw/zinc/50/02/26/378500226.db2.gz CUAMEGVZHIHWAW-UHFFFAOYSA-N 1 1 263.362 3.094 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c1O ZINC000271792109 378504233 /nfs/dbraw/zinc/50/42/33/378504233.db2.gz JGVLSZGDHKXUFD-BXUZGUMPSA-N 1 1 283.799 3.089 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1O ZINC000271792110 378504354 /nfs/dbraw/zinc/50/43/54/378504354.db2.gz JGVLSZGDHKXUFD-FZMZJTMJSA-N 1 1 283.799 3.089 20 10 CGCDMO CCCO[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)CC1 ZINC000272246353 378594564 /nfs/dbraw/zinc/59/45/64/378594564.db2.gz HMDPSHDUWCOOAV-CQSZACIVSA-N 1 1 281.371 3.312 20 10 CGCDMO CCCO[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)CC1 ZINC000272246353 378594567 /nfs/dbraw/zinc/59/45/67/378594567.db2.gz HMDPSHDUWCOOAV-CQSZACIVSA-N 1 1 281.371 3.312 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C)cc2)c1 ZINC000273364909 378742236 /nfs/dbraw/zinc/74/22/36/378742236.db2.gz DXSQUZWOTHSVKQ-ZDUSSCGKSA-N 1 1 299.370 3.338 20 10 CGCDMO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)c(O)c1C ZINC000273439693 378745948 /nfs/dbraw/zinc/74/59/48/378745948.db2.gz YCESRJWEPVHWEZ-CABCVRRESA-N 1 1 288.435 3.144 20 10 CGCDMO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2O)CCO1 ZINC000273459231 378748673 /nfs/dbraw/zinc/74/86/73/378748673.db2.gz HSHYXEIULNGATC-GHJWDPDVSA-N 1 1 281.371 3.386 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375300733 379489574 /nfs/dbraw/zinc/48/95/74/379489574.db2.gz CJCMBSHIEFUAQD-HNNXBMFYSA-N 1 1 299.773 3.187 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375300733 379489580 /nfs/dbraw/zinc/48/95/80/379489580.db2.gz CJCMBSHIEFUAQD-HNNXBMFYSA-N 1 1 299.773 3.187 20 10 CGCDMO CC[C@H]([NH2+]Cc1nccs1)c1ccc(F)cc1O ZINC000285982861 380154370 /nfs/dbraw/zinc/15/43/70/380154370.db2.gz HTCBWRVQOACLFG-NSHDSACASA-N 1 1 266.341 3.229 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CCSC1)c1ccc(F)cc1O ZINC000286045098 380158310 /nfs/dbraw/zinc/15/83/10/380158310.db2.gz JYYRYGCHYAAPEB-PWSUYJOCSA-N 1 1 255.358 3.078 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cc(Cl)ccc1O ZINC000363866772 382259192 /nfs/dbraw/zinc/25/91/92/382259192.db2.gz PGGUNZRGEGBLEW-ZANVPECISA-N 1 1 291.782 3.497 20 10 CGCDMO CN(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000364296578 382269062 /nfs/dbraw/zinc/26/90/62/382269062.db2.gz CPBMMFVZDYLWFS-GOSISDBHSA-N 1 1 296.414 3.099 20 10 CGCDMO C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2O)C1 ZINC000364296578 382269067 /nfs/dbraw/zinc/26/90/67/382269067.db2.gz CPBMMFVZDYLWFS-GOSISDBHSA-N 1 1 296.414 3.099 20 10 CGCDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2O)C1 ZINC000364296578 382269070 /nfs/dbraw/zinc/26/90/70/382269070.db2.gz CPBMMFVZDYLWFS-GOSISDBHSA-N 1 1 296.414 3.099 20 10 CGCDMO CCC(CC)(CCO)C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185620831 262062964 /nfs/dbraw/zinc/06/29/64/262062964.db2.gz FJYJMEFRTBJSQY-GFCCVEGCSA-N 1 1 283.387 3.371 20 10 CGCDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000093418838 392236849 /nfs/dbraw/zinc/23/68/49/392236849.db2.gz SBEHPBHCFZNVDA-INIZCTEOSA-N 1 1 276.424 3.001 20 10 CGCDMO CCOC[C@H]1CCC[N@@H+](Cc2cccc(OCC)c2O)C1 ZINC000093419138 392238019 /nfs/dbraw/zinc/23/80/19/392238019.db2.gz AUMGDHXKBXQFKG-AWEZNQCLSA-N 1 1 293.407 3.039 20 10 CGCDMO CCSCC[C@H](C)[N@@H+](C)Cc1cccc(OC)c1O ZINC000093871003 392240650 /nfs/dbraw/zinc/24/06/50/392240650.db2.gz IJJGUQGIYFIKIF-LBPRGKRZSA-N 1 1 283.437 3.364 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)c1O ZINC000282175431 392284538 /nfs/dbraw/zinc/28/45/38/392284538.db2.gz FFZHHQXVAQGNLZ-GXFFZTMASA-N 1 1 299.798 3.054 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)c1O ZINC000282175430 392284601 /nfs/dbraw/zinc/28/46/01/392284601.db2.gz FFZHHQXVAQGNLZ-GWCFXTLKSA-N 1 1 299.798 3.054 20 10 CGCDMO C[N@@H+](CCc1ccccc1F)Cc1ccccc1O ZINC000132894769 392462239 /nfs/dbraw/zinc/46/22/39/392462239.db2.gz AUEJTIKCNKEILK-UHFFFAOYSA-N 1 1 259.324 3.206 20 10 CGCDMO CC(C)(C)N1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000296996125 392565322 /nfs/dbraw/zinc/56/53/22/392565322.db2.gz SMJAOHGFKWQSFB-HNNXBMFYSA-N 1 1 288.435 3.232 20 10 CGCDMO CCC[NH+](CCC)Cc1cc(F)cc(C(C)=O)c1O ZINC000037322710 173123537 /nfs/dbraw/zinc/12/35/37/173123537.db2.gz ZRUWUCSMXJXXTH-UHFFFAOYSA-N 1 1 267.344 3.356 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H](C)C2CC2)c1O ZINC000037328732 173129450 /nfs/dbraw/zinc/12/94/50/173129450.db2.gz IDYBBAFYRDOUHI-VIFPVBQESA-N 1 1 281.783 3.479 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H](C)C2CC2)c1O ZINC000037328732 173129453 /nfs/dbraw/zinc/12/94/53/173129453.db2.gz IDYBBAFYRDOUHI-VIFPVBQESA-N 1 1 281.783 3.479 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc(O)c2)cc1 ZINC000155194197 261099437 /nfs/dbraw/zinc/09/94/37/261099437.db2.gz HDXJEIZOZGBNTL-UHFFFAOYSA-N 1 1 270.376 3.090 20 10 CGCDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCCO1 ZINC000161387953 261246070 /nfs/dbraw/zinc/24/60/70/261246070.db2.gz KXGOSUXELUIBIV-SFHVURJKSA-N 1 1 288.435 3.288 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C)c1O ZINC000184691836 262026177 /nfs/dbraw/zinc/02/61/77/262026177.db2.gz HKTKBNVINSJIKK-SECBINFHSA-N 1 1 255.745 3.039 20 10 CGCDMO COc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2O)cc1O ZINC000185300706 262049038 /nfs/dbraw/zinc/04/90/38/262049038.db2.gz ZRBQUPVVQZAOMQ-SNVBAGLBSA-N 1 1 291.322 3.096 20 10 CGCDMO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)n[nH]1 ZINC000186131316 262080641 /nfs/dbraw/zinc/08/06/41/262080641.db2.gz MWYSUFZOIISSQF-WCQYABFASA-N 1 1 273.380 3.014 20 10 CGCDMO C[C@@H]([NH2+]C[C@H](C)c1nccs1)c1ccc(F)cc1O ZINC000186727442 262322399 /nfs/dbraw/zinc/32/23/99/262322399.db2.gz QOKTWETXUHNHHE-VHSXEESVSA-N 1 1 280.368 3.442 20 10 CGCDMO CCOC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)C(C)C ZINC000189353686 264293090 /nfs/dbraw/zinc/29/30/90/264293090.db2.gz QZCPACVRAQYNMZ-FZMZJTMJSA-N 1 1 269.360 3.243 20 10 CGCDMO C[C@H]1c2cccn2CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000183512641 329248207 /nfs/dbraw/zinc/24/82/07/329248207.db2.gz DJFPOXGGTYNKEU-NSHDSACASA-N 1 1 276.767 3.424 20 10 CGCDMO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000529667833 333504873 /nfs/dbraw/zinc/50/48/73/333504873.db2.gz ABWKBRYYQHGIJG-FJBRNLEUSA-N 1 1 287.762 3.086 20 10 CGCDMO CCC[N@@H+](Cc1c[nH]c2nccnc12)Cc1ccccc1O ZINC000290503571 521680659 /nfs/dbraw/zinc/68/06/59/521680659.db2.gz SRGVKMFNOFXYJO-UHFFFAOYSA-N 1 1 296.374 3.076 20 10 CGCDMO CCC[N@@H+](Cc1cc(C)on1)Cc1ccccc1O ZINC000069009883 521680888 /nfs/dbraw/zinc/68/08/88/521680888.db2.gz IVWSVGFXVBITQU-UHFFFAOYSA-N 1 1 260.337 3.101 20 10 CGCDMO C[N@@H+](CCC1CCOCC1)Cc1c(O)cccc1Cl ZINC000129666404 522719478 /nfs/dbraw/zinc/71/94/78/522719478.db2.gz IBZHLQZEIWHWRY-UHFFFAOYSA-N 1 1 283.799 3.294 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1O ZINC000278403403 524402943 /nfs/dbraw/zinc/40/29/43/524402943.db2.gz OPBHKOCKLOZQQW-NSHDSACASA-N 1 1 273.298 3.475 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)cc1C ZINC000280450830 525317006 /nfs/dbraw/zinc/31/70/06/525317006.db2.gz LHZBVLZQTRRYSH-GOEBONIOSA-N 1 1 277.408 3.134 20 10 CGCDMO COc1cccc(C[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)c1O ZINC000366541867 525931475 /nfs/dbraw/zinc/93/14/75/525931475.db2.gz AMPBXGPTBFQULT-KRWDZBQOSA-N 1 1 298.386 3.379 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000290953946 526346378 /nfs/dbraw/zinc/34/63/78/526346378.db2.gz QXDNEJTWJUDTCK-CVEARBPZSA-N 1 1 291.366 3.065 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCOC2(CCC2)C1 ZINC000129813497 526356765 /nfs/dbraw/zinc/35/67/65/526356765.db2.gz JGHBBBALXQJTOG-UHFFFAOYSA-N 1 1 283.371 3.300 20 10 CGCDMO C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000742155991 572556451 /nfs/dbraw/zinc/55/64/51/572556451.db2.gz VBXBTDUUDKSOQT-VXGBXAGGSA-N 1 1 277.364 3.131 20 10 CGCDMO CC(C)[C@H]1CC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792173490 629344585 /nfs/dbraw/zinc/34/45/85/629344585.db2.gz ZUUOMSLNUGQMEW-LLVKDONJSA-N 1 1 257.736 3.415 20 10 CGCDMO CC(C)[C@H]1CC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792173490 629344587 /nfs/dbraw/zinc/34/45/87/629344587.db2.gz ZUUOMSLNUGQMEW-LLVKDONJSA-N 1 1 257.736 3.415 20 10 CGCDMO COCC[N@@H+](Cc1ccccc1)Cc1cc(C)ccc1O ZINC000160450306 618046615 /nfs/dbraw/zinc/04/66/15/618046615.db2.gz HYRIMMFGGRTUFX-UHFFFAOYSA-N 1 1 285.387 3.349 20 10 CGCDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC000891443591 618212387 /nfs/dbraw/zinc/21/23/87/618212387.db2.gz JGQVHFUTVSLYTP-CYBMUJFWSA-N 1 1 279.380 3.174 20 10 CGCDMO CCC[N@H+](Cc1ccc(OC)c(OC)c1O)CC(C)C ZINC000891652896 618244179 /nfs/dbraw/zinc/24/41/79/618244179.db2.gz GSTYULZPRHCIEQ-UHFFFAOYSA-N 1 1 281.396 3.277 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@@H]2C2CCC2)c(O)c1OC ZINC000891870242 618349946 /nfs/dbraw/zinc/34/99/46/618349946.db2.gz QFGJIFMBNURGQO-CQSZACIVSA-N 1 1 291.391 3.174 20 10 CGCDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC000892068816 618516432 /nfs/dbraw/zinc/51/64/32/618516432.db2.gz UFPGCKWWPASBAK-YPMHNXCESA-N 1 1 279.380 3.030 20 10 CGCDMO Cc1cc(C)n(CCC[NH2+][C@H](C)c2ccc(F)cc2O)n1 ZINC000168735718 618735149 /nfs/dbraw/zinc/73/51/49/618735149.db2.gz PRLOCLCRZCNPQM-CYBMUJFWSA-N 1 1 291.370 3.086 20 10 CGCDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2ccccc2O)C1(C)C ZINC000179584966 618795975 /nfs/dbraw/zinc/79/59/75/618795975.db2.gz VYNSKRFNWRMCRQ-HOCLYGCPSA-N 1 1 263.381 3.028 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]CCC2CC[NH+](C)CC2)c(Cl)c1 ZINC000840889896 618918005 /nfs/dbraw/zinc/91/80/05/618918005.db2.gz JFFNXYILGAMCAS-UHFFFAOYSA-N 1 1 296.842 3.176 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCSCC[C@H]2C)cc1C ZINC000189916912 619096406 /nfs/dbraw/zinc/09/64/06/619096406.db2.gz WLGGFZPSHYYOMU-CYBMUJFWSA-N 1 1 265.422 3.336 20 10 CGCDMO COc1ccc(C[N@@H+](C)C[C@@H]2CC=CCC2)c(O)c1OC ZINC000893522383 619202651 /nfs/dbraw/zinc/20/26/51/619202651.db2.gz SKGYEXZTGSEJAO-CYBMUJFWSA-N 1 1 291.391 3.198 20 10 CGCDMO CC[N@@H+](CCC1CC1)Cc1ccc(OC)c(OC)c1O ZINC000893588608 619229586 /nfs/dbraw/zinc/22/95/86/619229586.db2.gz ABEUGIDMICBKGA-UHFFFAOYSA-N 1 1 279.380 3.031 20 10 CGCDMO C[C@@H](c1ccco1)[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000893932215 619335349 /nfs/dbraw/zinc/33/53/49/619335349.db2.gz ZGCNLFJQQKOFOB-VIFPVBQESA-N 1 1 267.275 3.456 20 10 CGCDMO C[C@@H](c1ccco1)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000893932215 619335352 /nfs/dbraw/zinc/33/53/52/619335352.db2.gz ZGCNLFJQQKOFOB-VIFPVBQESA-N 1 1 267.275 3.456 20 10 CGCDMO COc1ccc(C[N@H+]2CC(C)(C)[C@H]2C2CC2)c(O)c1OC ZINC000894543608 619569724 /nfs/dbraw/zinc/56/97/24/619569724.db2.gz BVAKVSWDMKUGCR-MRXNPFEDSA-N 1 1 291.391 3.030 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000895677488 619867733 /nfs/dbraw/zinc/86/77/33/619867733.db2.gz MMLITLGYZLBELX-LLVKDONJSA-N 1 1 299.773 3.376 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895841582 619892348 /nfs/dbraw/zinc/89/23/48/619892348.db2.gz CXODFKSGUABEOI-WMZOPIPTSA-N 1 1 288.435 3.062 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896226715 619970348 /nfs/dbraw/zinc/97/03/48/619970348.db2.gz HZZCQRYIGHVXQH-GFCCVEGCSA-N 1 1 289.272 3.259 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000896598208 620035226 /nfs/dbraw/zinc/03/52/26/620035226.db2.gz FKWPJMDUERBQIY-QGZVFWFLSA-N 1 1 296.418 3.092 20 10 CGCDMO CC[C@H]([NH2+]CC[C@H]1CCCO1)c1ccc(F)cc1O ZINC000796680550 620129614 /nfs/dbraw/zinc/12/96/14/620129614.db2.gz AANOLCMMKIQZJE-OCCSQVGLSA-N 1 1 267.344 3.141 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1ccc(F)cc1O ZINC000797064650 620174439 /nfs/dbraw/zinc/17/44/39/620174439.db2.gz HRVSOGNGQPPUCW-XDTLVQLUSA-N 1 1 269.385 3.324 20 10 CGCDMO C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1c(O)cccc1F ZINC000927068642 620569788 /nfs/dbraw/zinc/56/97/88/620569788.db2.gz TZBPFPUYWYMAQR-PLQHRBFRSA-N 1 1 293.382 3.387 20 10 CGCDMO Cc1ccc(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c(O)c1 ZINC000898511662 620593740 /nfs/dbraw/zinc/59/37/40/620593740.db2.gz DHTNCHJOSOFIPL-WBVHZDCISA-N 1 1 289.419 3.339 20 10 CGCDMO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185835921 625463574 /nfs/dbraw/zinc/46/35/74/625463574.db2.gz VJKNOLVADFGLAO-JRPNMDOOSA-N 1 1 293.338 3.287 20 10 CGCDMO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000902634655 621389973 /nfs/dbraw/zinc/38/99/73/621389973.db2.gz OUECROFMQIDGGV-NVXWUHKLSA-N 1 1 271.360 3.155 20 10 CGCDMO C[C@@H]([NH2+][C@@H](c1ncccn1)C1CC1)c1cc(F)ccc1O ZINC000903327751 621701815 /nfs/dbraw/zinc/70/18/15/621701815.db2.gz YFOGBQACXZWURW-MEBBXXQBSA-N 1 1 287.338 3.123 20 10 CGCDMO CC[N@H+](CCN[C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000156587115 622826277 /nfs/dbraw/zinc/82/62/77/622826277.db2.gz UELDBYYAIHWEJV-OAHLLOKOSA-N 1 1 277.456 3.134 20 10 CGCDMO CC[N@@H+](CCN[C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000156587115 622826279 /nfs/dbraw/zinc/82/62/79/622826279.db2.gz UELDBYYAIHWEJV-OAHLLOKOSA-N 1 1 277.456 3.134 20 10 CGCDMO CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)cc(C)c2O)C1 ZINC000164424244 622834663 /nfs/dbraw/zinc/83/46/63/622834663.db2.gz BVLVDDZUVNTWKS-INIZCTEOSA-N 1 1 290.451 3.173 20 10 CGCDMO CSC[C@H]1CCC[N@H+]1Cc1cc(C)cc(C)c1O ZINC000164526000 622836770 /nfs/dbraw/zinc/83/67/70/622836770.db2.gz LGYKUXFHEIXTQH-CQSZACIVSA-N 1 1 265.422 3.336 20 10 CGCDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000157454208 622907121 /nfs/dbraw/zinc/90/71/21/622907121.db2.gz QKMWMAORQVELKB-QGZVFWFLSA-N 1 1 288.435 3.288 20 10 CGCDMO C[C@H](C1CC1)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000158050659 622996072 /nfs/dbraw/zinc/99/60/72/622996072.db2.gz HVYQGYISBJLOLB-LLVKDONJSA-N 1 1 250.361 3.122 20 10 CGCDMO C[C@@H]([NH2+]CCOc1ccccc1)c1ccc(F)cc1O ZINC000062748303 623268142 /nfs/dbraw/zinc/26/81/42/623268142.db2.gz AHZUOGVECZJADR-GFCCVEGCSA-N 1 1 275.323 3.261 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCC3(C1)CCCCC3)OCO2 ZINC000172937853 623301317 /nfs/dbraw/zinc/30/13/17/623301317.db2.gz AZKHOGPSSKIFOA-UHFFFAOYSA-N 1 1 289.375 3.277 20 10 CGCDMO C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@@H]1CCCO1 ZINC000151758045 623563909 /nfs/dbraw/zinc/56/39/09/623563909.db2.gz VWJWEXYOFBLQGD-AWEZNQCLSA-N 1 1 293.407 3.006 20 10 CGCDMO CCC1CCC([N@@H+](CCO)Cc2ccccc2O)CC1 ZINC000754152995 623817863 /nfs/dbraw/zinc/81/78/63/623817863.db2.gz CSNIDMAPNRNUEC-UHFFFAOYSA-N 1 1 277.408 3.155 20 10 CGCDMO C[N@@H+](Cc1cc2c(cc1O)CCC2)C1Cc2ccccc2C1 ZINC000919950002 624434324 /nfs/dbraw/zinc/43/43/24/624434324.db2.gz BFGYTIPHDIMNTQ-UHFFFAOYSA-N 1 1 293.410 3.480 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000181920798 624912649 /nfs/dbraw/zinc/91/26/49/624912649.db2.gz MOQGGRGKTCNJKN-SFHVURJKSA-N 1 1 297.398 3.144 20 10 CGCDMO C[C@H](NCC[N@H+](C)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000071376941 625081580 /nfs/dbraw/zinc/08/15/80/625081580.db2.gz GJWBCIJQUGKNHU-HNNXBMFYSA-N 1 1 289.467 3.278 20 10 CGCDMO C[C@H](NCC[N@@H+](C)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000071376941 625081587 /nfs/dbraw/zinc/08/15/87/625081587.db2.gz GJWBCIJQUGKNHU-HNNXBMFYSA-N 1 1 289.467 3.278 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000922583022 626016264 /nfs/dbraw/zinc/01/62/64/626016264.db2.gz SIQJDFFITFMAOI-OAHLLOKOSA-N 1 1 290.313 3.306 20 10 CGCDMO C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)CCS1 ZINC000922833529 626052678 /nfs/dbraw/zinc/05/26/78/626052678.db2.gz IYRAXVCJCVSURD-KCJUWKMLSA-N 1 1 273.348 3.044 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000753576217 626456136 /nfs/dbraw/zinc/45/61/36/626456136.db2.gz PLIBWSWQQLEVNB-LBPRGKRZSA-N 1 1 263.381 3.269 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c1 ZINC000754737718 626585369 /nfs/dbraw/zinc/58/53/69/626585369.db2.gz UTMMULGQCUZQAB-GOSISDBHSA-N 1 1 289.419 3.402 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000754732885 626585577 /nfs/dbraw/zinc/58/55/77/626585577.db2.gz WNMCPFJICHKGIB-INIZCTEOSA-N 1 1 285.391 3.043 20 10 CGCDMO CO[C@]1(C)C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2O)C1(C)C ZINC000756628779 626721926 /nfs/dbraw/zinc/72/19/26/626721926.db2.gz XMVXXVZTDBLESK-JMPLFQLZSA-N 1 1 281.371 3.386 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc(F)cn1)c1cc(F)cc(F)c1O ZINC000756661143 626725448 /nfs/dbraw/zinc/72/54/48/626725448.db2.gz YIQVXVJSLJWXMN-MRVPVSSYSA-N 1 1 282.265 3.055 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2(C)CCCC2)c1 ZINC000756709613 626727322 /nfs/dbraw/zinc/72/73/22/626727322.db2.gz XGPMWLPIFGFBDP-GFCCVEGCSA-N 1 1 291.391 3.410 20 10 CGCDMO Cc1cccc(C[N@H+]2CCO[C@@H](C3CCCCC3)C2)c1O ZINC000758061581 626824798 /nfs/dbraw/zinc/82/47/98/626824798.db2.gz AEYJGIFFZLBVFL-QGZVFWFLSA-N 1 1 289.419 3.482 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)Cc1ccc(C)cc1 ZINC000768172468 627465585 /nfs/dbraw/zinc/46/55/85/627465585.db2.gz PSUWYLCQJVKZCA-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO Cc1ncc(C[N@@H+](C)Cc2ccc(N(C)C)c(F)c2)s1 ZINC000768913736 627508627 /nfs/dbraw/zinc/50/86/27/627508627.db2.gz RMGJJRCUTASTFE-UHFFFAOYSA-N 1 1 293.411 3.289 20 10 CGCDMO Cc1ncc(C[N@H+](C)Cc2ccc(N(C)C)c(F)c2)s1 ZINC000768913736 627508630 /nfs/dbraw/zinc/50/86/30/627508630.db2.gz RMGJJRCUTASTFE-UHFFFAOYSA-N 1 1 293.411 3.289 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)CCc1ccccc1F ZINC000769030576 627518848 /nfs/dbraw/zinc/51/88/48/627518848.db2.gz VOLFVPJMPZMJRO-UHFFFAOYSA-N 1 1 289.350 3.214 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000769315883 627540192 /nfs/dbraw/zinc/54/01/92/627540192.db2.gz XAJFEHWFIZTIBL-OAHLLOKOSA-N 1 1 263.381 3.411 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCCc2ccccc2C1 ZINC000769330824 627542551 /nfs/dbraw/zinc/54/25/51/627542551.db2.gz AWZIZZIWKWKZGY-UHFFFAOYSA-N 1 1 283.371 3.349 20 10 CGCDMO COc1ccccc1CC[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000769333245 627543179 /nfs/dbraw/zinc/54/31/79/627543179.db2.gz IDOUIJYMVBUUSG-UHFFFAOYSA-N 1 1 298.430 3.436 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCOC[C@H](C)C2)cc1F ZINC000769457799 627554987 /nfs/dbraw/zinc/55/49/87/627554987.db2.gz UTAXTWKMZVZIMD-CQSZACIVSA-N 1 1 294.414 3.140 20 10 CGCDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000769469565 627556758 /nfs/dbraw/zinc/55/67/58/627556758.db2.gz AEVNMMGIVDYEKF-CRAIPNDOSA-N 1 1 289.467 3.057 20 10 CGCDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000769469565 627556761 /nfs/dbraw/zinc/55/67/61/627556761.db2.gz AEVNMMGIVDYEKF-CRAIPNDOSA-N 1 1 289.467 3.057 20 10 CGCDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769470728 627557433 /nfs/dbraw/zinc/55/74/33/627557433.db2.gz OGOOKDCQRZUCNG-VXGBXAGGSA-N 1 1 250.361 3.122 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1Cc2ccccc2C[C@@H]1C ZINC000769482531 627559142 /nfs/dbraw/zinc/55/91/42/627559142.db2.gz FNXWHLPJXVZBDB-ZDUSSCGKSA-N 1 1 283.371 3.348 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@H]2Cc2ccccc2)c1O ZINC000769505954 627561008 /nfs/dbraw/zinc/56/10/08/627561008.db2.gz LMVLNAJPAWMJFJ-INIZCTEOSA-N 1 1 283.371 3.218 20 10 CGCDMO COc1cccc(O)c1C[N@H+](C)Cc1cc(Cl)cn1C ZINC000770303412 627612513 /nfs/dbraw/zinc/61/25/13/627612513.db2.gz GSZMHUOFURBNEP-UHFFFAOYSA-N 1 1 294.782 3.025 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)Cc1cc(Cl)cn1C ZINC000770303412 627612515 /nfs/dbraw/zinc/61/25/15/627612515.db2.gz GSZMHUOFURBNEP-UHFFFAOYSA-N 1 1 294.782 3.025 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000772598123 627805519 /nfs/dbraw/zinc/80/55/19/627805519.db2.gz HPSHGBRONSCKHT-CQSZACIVSA-N 1 1 272.348 3.066 20 10 CGCDMO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(N(C)CC)cc1 ZINC000773730731 627908563 /nfs/dbraw/zinc/90/85/63/627908563.db2.gz PZJDMDSEUVNKMS-HOCLYGCPSA-N 1 1 276.424 3.142 20 10 CGCDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)CC)cc1 ZINC000773755626 627911092 /nfs/dbraw/zinc/91/10/92/627911092.db2.gz UNIVEJYIWXFNHI-ROUUACIJSA-N 1 1 290.451 3.268 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)cc1 ZINC000773831895 627917952 /nfs/dbraw/zinc/91/79/52/627917952.db2.gz JYWKYTRGKRKJME-CZUORRHYSA-N 1 1 264.388 3.323 20 10 CGCDMO COc1cccc(O)c1C[N@H+](C)Cc1cc(C)ccc1F ZINC000775168213 628069017 /nfs/dbraw/zinc/06/90/17/628069017.db2.gz NKPQSZWJWXGAMM-UHFFFAOYSA-N 1 1 289.350 3.480 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)Cc1cc(C)ccc1F ZINC000775168213 628069020 /nfs/dbraw/zinc/06/90/20/628069020.db2.gz NKPQSZWJWXGAMM-UHFFFAOYSA-N 1 1 289.350 3.480 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H]2c2ccccc2)c1 ZINC000775633833 628117493 /nfs/dbraw/zinc/11/74/93/628117493.db2.gz LVWACEGGXHYKLH-INIZCTEOSA-N 1 1 269.344 3.348 20 10 CGCDMO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(C)c2O)C[C@@H](C)O1 ZINC000775661201 628121148 /nfs/dbraw/zinc/12/11/48/628121148.db2.gz KORPMWPBXGMIHP-BXUZGUMPSA-N 1 1 283.799 3.353 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C)c2O)C[C@@H](C)O1 ZINC000775661201 628121151 /nfs/dbraw/zinc/12/11/51/628121151.db2.gz KORPMWPBXGMIHP-BXUZGUMPSA-N 1 1 283.799 3.353 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)CCc2ccccc2F)c1 ZINC000775662143 628122340 /nfs/dbraw/zinc/12/23/40/628122340.db2.gz CYBWYVHRMHBHES-UHFFFAOYSA-N 1 1 289.350 3.214 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1O ZINC000775736150 628131473 /nfs/dbraw/zinc/13/14/73/628131473.db2.gz NXZJARDYAFIDCS-IUODEOHRSA-N 1 1 295.810 3.355 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C[C@@H]1F ZINC000777970070 628317607 /nfs/dbraw/zinc/31/76/07/628317607.db2.gz VAHMDRQWQSBIFY-NHYWBVRUSA-N 1 1 263.356 3.061 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H]1F ZINC000779147674 628390204 /nfs/dbraw/zinc/39/02/04/628390204.db2.gz AYSOVHJRSGAGNU-BXUZGUMPSA-N 1 1 268.351 3.072 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H]1F ZINC000779147674 628390205 /nfs/dbraw/zinc/39/02/05/628390205.db2.gz AYSOVHJRSGAGNU-BXUZGUMPSA-N 1 1 268.351 3.072 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2CCO)cc1F ZINC000779202994 628394219 /nfs/dbraw/zinc/39/42/19/628394219.db2.gz UTOFYMOXZAQKNF-HNNXBMFYSA-N 1 1 294.414 3.019 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@](O)(CC)C2)cc1F ZINC000779220147 628394858 /nfs/dbraw/zinc/39/48/58/628394858.db2.gz YKGQFHONXRSSFX-KRWDZBQOSA-N 1 1 294.414 3.019 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@H](C)C3(CCC3)C2)c1O ZINC000779604140 628417881 /nfs/dbraw/zinc/41/78/81/628417881.db2.gz HZKMWGHCKBCLBJ-ZDUSSCGKSA-N 1 1 275.392 3.413 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+](C)CC2(N(C)C)CCC2)c1O ZINC000783743373 628744329 /nfs/dbraw/zinc/74/43/29/628744329.db2.gz CIICMJZYSOQGRC-UHFFFAOYSA-N 1 1 296.842 3.270 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+](C)CC2(N(C)C)CCC2)c1O ZINC000783743373 628744334 /nfs/dbraw/zinc/74/43/34/628744334.db2.gz CIICMJZYSOQGRC-UHFFFAOYSA-N 1 1 296.842 3.270 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@H]1CCC(F)(F)C1 ZINC000787730770 629026009 /nfs/dbraw/zinc/02/60/09/629026009.db2.gz MYSAGPGOTJKLLO-NSHDSACASA-N 1 1 255.308 3.259 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCC[C@@H](C)O)cc1 ZINC000789306708 629122824 /nfs/dbraw/zinc/12/28/24/629122824.db2.gz RPMFFYIDSPDPDL-OAHLLOKOSA-N 1 1 278.440 3.126 20 10 CGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000789508830 629141674 /nfs/dbraw/zinc/14/16/74/629141674.db2.gz SDPGQDCRBGQTIO-FUHWJXTLSA-N 1 1 298.386 3.084 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@]2(CC)CO)cc1 ZINC000789567009 629145572 /nfs/dbraw/zinc/14/55/72/629145572.db2.gz QOBWPZDIFDKZHB-SFHVURJKSA-N 1 1 290.451 3.270 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)c1O ZINC000790934111 629241604 /nfs/dbraw/zinc/24/16/04/629241604.db2.gz DZGPXSWPISAWPG-SWLSCSKDSA-N 1 1 297.826 3.479 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000790977719 629245246 /nfs/dbraw/zinc/24/52/46/629245246.db2.gz QXFVNTPXKDAHHT-SNVBAGLBSA-N 1 1 299.773 3.376 20 10 CGCDMO CCC[N@H+](Cc1cc(F)ccc1O)[C@H](CC)C(=O)OCC ZINC000792189219 629346833 /nfs/dbraw/zinc/34/68/33/629346833.db2.gz RNKYCTHPQOSXJH-CQSZACIVSA-N 1 1 297.370 3.085 20 10 CGCDMO CCC[N@@H+](Cc1cc(F)ccc1O)[C@H](CC)C(=O)OCC ZINC000792189219 629346837 /nfs/dbraw/zinc/34/68/37/629346837.db2.gz RNKYCTHPQOSXJH-CQSZACIVSA-N 1 1 297.370 3.085 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@@H+]1CCc2c(O)cccc2C1 ZINC000862528915 629391533 /nfs/dbraw/zinc/39/15/33/629391533.db2.gz FBHDITBZNVKZGN-UHFFFAOYSA-N 1 1 289.762 3.310 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCc2c(O)cccc2C1 ZINC000862528915 629391535 /nfs/dbraw/zinc/39/15/35/629391535.db2.gz FBHDITBZNVKZGN-UHFFFAOYSA-N 1 1 289.762 3.310 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)c1 ZINC000862540852 629395850 /nfs/dbraw/zinc/39/58/50/629395850.db2.gz LBOBOJOCZSFMDZ-CQSZACIVSA-N 1 1 299.370 3.096 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](CC)CC2CCC2)c1 ZINC000793354136 629446623 /nfs/dbraw/zinc/44/66/23/629446623.db2.gz YMBRTZCRLGTOAW-UHFFFAOYSA-N 1 1 263.381 3.413 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000793744068 629499829 /nfs/dbraw/zinc/49/98/29/629499829.db2.gz QHUBGIQJILYUMX-KRWDZBQOSA-N 1 1 289.419 3.258 20 10 CGCDMO CC[C@H]1CC[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000793819666 629503332 /nfs/dbraw/zinc/50/33/32/629503332.db2.gz JAADARFTQNJJOO-ZDUSSCGKSA-N 1 1 263.381 3.380 20 10 CGCDMO CC[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(C)cc1O ZINC000794794399 629577380 /nfs/dbraw/zinc/57/73/80/629577380.db2.gz NEPCSHKXIRWASZ-HNNXBMFYSA-N 1 1 278.440 3.329 20 10 CGCDMO COc1ccc2ccc(O)c(C[N@H+](C)C[C@@H](C)OC)c2c1 ZINC000795745590 629712486 /nfs/dbraw/zinc/71/24/86/629712486.db2.gz DBTSXLSVQKWTMP-GFCCVEGCSA-N 1 1 289.375 3.021 20 10 CGCDMO COc1cc(C[N@H+](C)C[C@@H](C)OC)c(O)c(C(C)(C)C)c1 ZINC000795752617 629713467 /nfs/dbraw/zinc/71/34/67/629713467.db2.gz UPOZGYBRTMLVQJ-GFCCVEGCSA-N 1 1 295.423 3.165 20 10 CGCDMO CC[C@@H](C)N(C)CC[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000796745960 629824188 /nfs/dbraw/zinc/82/41/88/629824188.db2.gz UJEGUIHKGXAGIN-IUODEOHRSA-N 1 1 282.403 3.302 20 10 CGCDMO CC[C@H]([NH2+]CCN(CC)C1CC1)c1ccc(F)cc1O ZINC000796748330 629824971 /nfs/dbraw/zinc/82/49/71/629824971.db2.gz WOSABIDJUKTZIB-HNNXBMFYSA-N 1 1 280.387 3.056 20 10 CGCDMO CCC(CC)[C@H](O)C[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000796758305 629827946 /nfs/dbraw/zinc/82/79/46/629827946.db2.gz FSMAEPZHHRXGMC-GDBMZVCRSA-N 1 1 283.387 3.369 20 10 CGCDMO CC[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(F)cc1O ZINC000796777414 629831829 /nfs/dbraw/zinc/83/18/29/629831829.db2.gz GCXVNZTUXVXQHU-ZDUSSCGKSA-N 1 1 297.370 3.304 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H]2c2cccnc2)c1O ZINC000798189991 630032640 /nfs/dbraw/zinc/03/26/40/630032640.db2.gz VPRDYJFDJROQHW-MRXNPFEDSA-N 1 1 298.386 3.441 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC000799158761 630150383 /nfs/dbraw/zinc/15/03/83/630150383.db2.gz RWVCSPMQPNUOSG-OAHLLOKOSA-N 1 1 282.387 3.394 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CCC2(C)C)c1 ZINC000806169593 630553178 /nfs/dbraw/zinc/55/31/78/630553178.db2.gz NXGDOGSGQYIOIS-YGRLFVJLSA-N 1 1 277.364 3.018 20 10 CGCDMO CCC[N@@H+](CCN1CCCC1)Cc1cc(C)ccc1O ZINC000809700850 630785438 /nfs/dbraw/zinc/78/54/38/630785438.db2.gz PKCATDYMFVTABM-UHFFFAOYSA-N 1 1 276.424 3.008 20 10 CGCDMO CCCN(CC[NH+]1CCCC1)Cc1cc(C)ccc1O ZINC000809700850 630785447 /nfs/dbraw/zinc/78/54/47/630785447.db2.gz PKCATDYMFVTABM-UHFFFAOYSA-N 1 1 276.424 3.008 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000809728522 630793936 /nfs/dbraw/zinc/79/39/36/630793936.db2.gz AJZFPVZJMRZZKD-INIZCTEOSA-N 1 1 268.360 3.433 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](CC)[C@H]2CCOC2)cc1 ZINC000812781079 631307098 /nfs/dbraw/zinc/30/70/98/631307098.db2.gz ZONIQSLHDMEBLY-KRWDZBQOSA-N 1 1 276.424 3.144 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c(O)c1 ZINC000876534414 634852647 /nfs/dbraw/zinc/85/26/47/634852647.db2.gz CHMHGYQHXNSTET-GFCCVEGCSA-N 1 1 273.298 3.475 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)CCS1 ZINC000815054239 631707468 /nfs/dbraw/zinc/70/74/68/631707468.db2.gz CITTZYWGFNUGIA-OAHLLOKOSA-N 1 1 278.465 3.388 20 10 CGCDMO CO[C@H](C)C[N@@H+](Cc1ccc(N(C)C)c(C)c1)C(C)C ZINC000815052796 631707734 /nfs/dbraw/zinc/70/77/34/631707734.db2.gz APVPVRUPQKFMAD-OAHLLOKOSA-N 1 1 278.440 3.306 20 10 CGCDMO Cc1cc(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)ccc1N(C)C ZINC000815103409 631717502 /nfs/dbraw/zinc/71/75/02/631717502.db2.gz PXGONUWHFJPSFV-DOTOQJQBSA-N 1 1 290.451 3.186 20 10 CGCDMO COc1cccc(O)c1CNc1cccc(C2CC2)[nH+]1 ZINC000815143822 631728348 /nfs/dbraw/zinc/72/83/48/631728348.db2.gz ODWHEKCUNCJOBO-UHFFFAOYSA-N 1 1 270.332 3.285 20 10 CGCDMO CSCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815553821 631793954 /nfs/dbraw/zinc/79/39/54/631793954.db2.gz KWPXBTXHIXPULL-MRVPVSSYSA-N 1 1 279.327 3.425 20 10 CGCDMO COC(C)(C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815589284 631802701 /nfs/dbraw/zinc/80/27/01/631802701.db2.gz NXCLIGNHYQAOQR-VIFPVBQESA-N 1 1 291.313 3.487 20 10 CGCDMO COCC1([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000815608038 631805654 /nfs/dbraw/zinc/80/56/54/631805654.db2.gz PAFWZUVXMJQYNI-VIFPVBQESA-N 1 1 289.297 3.241 20 10 CGCDMO OCC[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816504586 631996598 /nfs/dbraw/zinc/99/65/98/631996598.db2.gz SRERHPYVRIEWEP-CQSZACIVSA-N 1 1 285.387 3.140 20 10 CGCDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816514679 632001169 /nfs/dbraw/zinc/00/11/69/632001169.db2.gz FJGZLCLVDUSYRG-DTWKUNHWSA-N 1 1 257.736 3.415 20 10 CGCDMO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816514679 632001171 /nfs/dbraw/zinc/00/11/71/632001171.db2.gz FJGZLCLVDUSYRG-DTWKUNHWSA-N 1 1 257.736 3.415 20 10 CGCDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816514679 632001173 /nfs/dbraw/zinc/00/11/73/632001173.db2.gz FJGZLCLVDUSYRG-DTWKUNHWSA-N 1 1 257.736 3.415 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000816520689 632002929 /nfs/dbraw/zinc/00/29/29/632002929.db2.gz VPSSOJIKSDLCGT-YGRLFVJLSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000816520689 632002935 /nfs/dbraw/zinc/00/29/35/632002935.db2.gz VPSSOJIKSDLCGT-YGRLFVJLSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccoc1 ZINC000816537651 632005998 /nfs/dbraw/zinc/00/59/98/632005998.db2.gz MGEAZXJHLLNHOF-UHFFFAOYSA-N 1 1 255.676 3.068 20 10 CGCDMO C[C@H](Cc1ccco1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816532811 632006176 /nfs/dbraw/zinc/00/61/76/632006176.db2.gz WFYSKOLHXBGIIC-SECBINFHSA-N 1 1 283.730 3.499 20 10 CGCDMO CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816532982 632006418 /nfs/dbraw/zinc/00/64/18/632006418.db2.gz FCIAJMXMTHCLNQ-UHFFFAOYSA-N 1 1 288.794 3.005 20 10 CGCDMO CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816610267 632023611 /nfs/dbraw/zinc/02/36/11/632023611.db2.gz DWMBZXDTDPMVHW-HNNXBMFYSA-N 1 1 298.430 3.365 20 10 CGCDMO CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816610267 632023618 /nfs/dbraw/zinc/02/36/18/632023618.db2.gz DWMBZXDTDPMVHW-HNNXBMFYSA-N 1 1 298.430 3.365 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCCO[C@@H](C(C)C)C2)cc1C ZINC000816674646 632041205 /nfs/dbraw/zinc/04/12/05/632041205.db2.gz GYHHTQVAGRMUSC-QGZVFWFLSA-N 1 1 277.408 3.256 20 10 CGCDMO OCC[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC000817418730 632146662 /nfs/dbraw/zinc/14/66/62/632146662.db2.gz DDZRKYWEFZUSFQ-GFCCVEGCSA-N 1 1 283.799 3.030 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](CCO)CC2)c(Cl)c1 ZINC000817419365 632147940 /nfs/dbraw/zinc/14/79/40/632147940.db2.gz USAPTYRIRICIQV-ZDUSSCGKSA-N 1 1 297.826 3.339 20 10 CGCDMO C[C@@H]1C[C@H](NCC2([NH3+])CCCCC2)c2c1c(F)ccc2O ZINC000817938374 632239217 /nfs/dbraw/zinc/23/92/17/632239217.db2.gz JOSBNNRYZREIDF-YPMHNXCESA-N 1 1 292.398 3.331 20 10 CGCDMO C[NH2+]CCCN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817939951 632241107 /nfs/dbraw/zinc/24/11/07/632241107.db2.gz IOUOLCZLRYQXBZ-CQSZACIVSA-N 1 1 293.430 3.076 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817945212 632242293 /nfs/dbraw/zinc/24/22/93/632242293.db2.gz XGGXQGKPIQQCHE-KCJUWKMLSA-N 1 1 289.206 3.102 20 10 CGCDMO CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817945214 632243427 /nfs/dbraw/zinc/24/34/27/632243427.db2.gz XGGXQGKPIQQCHE-LDYMZIIASA-N 1 1 289.206 3.102 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc(Cl)c1[O-] ZINC000817950752 632246945 /nfs/dbraw/zinc/24/69/45/632246945.db2.gz YOHOHSJNAUWSER-SMDDNHRTSA-N 1 1 282.815 3.228 20 10 CGCDMO CCC([NH3+])(CC)CN[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817961042 632257794 /nfs/dbraw/zinc/25/77/94/632257794.db2.gz WMBRADRZANJPAH-PWSUYJOCSA-N 1 1 280.387 3.187 20 10 CGCDMO C[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)c2c1c(F)ccc2[O-] ZINC000817965243 632260214 /nfs/dbraw/zinc/26/02/14/632260214.db2.gz RPWANHKEJQLNRL-WCQYABFASA-N 1 1 292.398 3.059 20 10 CGCDMO CC[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817966340 632261784 /nfs/dbraw/zinc/26/17/84/632261784.db2.gz LSVKWLLCDGUNIA-HOCLYGCPSA-N 1 1 296.842 3.476 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)C[C@](C)(O)c2ccccc2)cc1C ZINC000822516026 632954298 /nfs/dbraw/zinc/95/42/98/632954298.db2.gz HQDAOBXZEICWAE-IBGZPJMESA-N 1 1 299.414 3.349 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCC23CC3)c1 ZINC000866411122 633126927 /nfs/dbraw/zinc/12/69/27/633126927.db2.gz CWOCLKKBKVRYKG-ABAIWWIYSA-N 1 1 289.375 3.162 20 10 CGCDMO CC[N@H+](Cc1cc(Cl)c(C)cc1O)C[C@H]1CCOC1 ZINC000824575137 633260452 /nfs/dbraw/zinc/26/04/52/633260452.db2.gz BTMSXQFBBLRJPJ-GFCCVEGCSA-N 1 1 283.799 3.212 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](F)C2)cc1 ZINC000824571960 633260746 /nfs/dbraw/zinc/26/07/46/633260746.db2.gz TVCLMRVBPHXKBH-CQSZACIVSA-N 1 1 250.361 3.077 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C[C@H]1C ZINC000824815668 633294029 /nfs/dbraw/zinc/29/40/29/633294029.db2.gz WJYJLYFVBPQLQS-ACJLOTCBSA-N 1 1 285.387 3.402 20 10 CGCDMO CCOC[C@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824906319 633304293 /nfs/dbraw/zinc/30/42/93/633304293.db2.gz NKCYOUZHUKFRJY-LBPRGKRZSA-N 1 1 283.799 3.212 20 10 CGCDMO COc1cccc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c1O ZINC000824941360 633308900 /nfs/dbraw/zinc/30/89/00/633308900.db2.gz MSMRTWKOTJUFLN-GOEBONIOSA-N 1 1 273.376 3.021 20 10 CGCDMO CN(C)c1ccc(C[NH2+]Cc2cnc(C3CC3)o2)cc1F ZINC000825171930 633333699 /nfs/dbraw/zinc/33/36/99/633333699.db2.gz AMDJSHPXECYOMZ-UHFFFAOYSA-N 1 1 289.354 3.047 20 10 CGCDMO COC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000825293963 633342234 /nfs/dbraw/zinc/34/22/34/633342234.db2.gz FXCJSAKZBUDGBR-NSHDSACASA-N 1 1 287.762 3.186 20 10 CGCDMO COC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000825293963 633342240 /nfs/dbraw/zinc/34/22/40/633342240.db2.gz FXCJSAKZBUDGBR-NSHDSACASA-N 1 1 287.762 3.186 20 10 CGCDMO CO[C@@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2O)CC[C@@H]1C ZINC000825633565 633368366 /nfs/dbraw/zinc/36/83/66/633368366.db2.gz AXUJUFLAMHZIJV-ZUZCIYMTSA-N 1 1 283.799 3.211 20 10 CGCDMO Cc1cc(C[N@H+](C)CC(C)(C)O)ccc1N1CCCCC1 ZINC000827834810 633523519 /nfs/dbraw/zinc/52/35/19/633523519.db2.gz ZNJVQRPFORZMAH-UHFFFAOYSA-N 1 1 290.451 3.188 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccc(F)cc1O ZINC000872108538 634031362 /nfs/dbraw/zinc/03/13/62/634031362.db2.gz AEHDCMICCYHNJX-DZJQYVJYSA-N 1 1 279.355 3.140 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1ccc(F)cc1O ZINC000872108543 634031841 /nfs/dbraw/zinc/03/18/41/634031841.db2.gz AEHDCMICCYHNJX-XALPAYFRSA-N 1 1 279.355 3.140 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H]3CSC[C@@H]3C1)CCC2 ZINC000872722113 634196579 /nfs/dbraw/zinc/19/65/79/634196579.db2.gz NRRWUJPOLHFDRJ-ZBFHGGJFSA-N 1 1 289.444 3.066 20 10 CGCDMO CCCOc1ccc(C[NH2+]C2CCN(CC)CC2)cc1C ZINC000873008667 634230263 /nfs/dbraw/zinc/23/02/63/634230263.db2.gz TVEDKRLHKVWMQM-UHFFFAOYSA-N 1 1 290.451 3.358 20 10 CGCDMO CCCOc1ccc(CNC2CC[NH+](CC)CC2)cc1C ZINC000873008667 634230268 /nfs/dbraw/zinc/23/02/68/634230268.db2.gz TVEDKRLHKVWMQM-UHFFFAOYSA-N 1 1 290.451 3.358 20 10 CGCDMO CCC[N@H+](CC)C[C@H](C)N[C@H]1CCc2cccc(O)c21 ZINC000834807930 634246073 /nfs/dbraw/zinc/24/60/73/634246073.db2.gz UXPKNZVWGMAALX-ZFWWWQNUSA-N 1 1 276.424 3.090 20 10 CGCDMO CCC[N@@H+](CC)C[C@H](C)N[C@H]1CCc2cccc(O)c21 ZINC000834807930 634246075 /nfs/dbraw/zinc/24/60/75/634246075.db2.gz UXPKNZVWGMAALX-ZFWWWQNUSA-N 1 1 276.424 3.090 20 10 CGCDMO CCc1ncc(C[NH2+][C@@H](CC)c2ccc(F)cc2O)o1 ZINC000834899643 634277061 /nfs/dbraw/zinc/27/70/61/634277061.db2.gz LGFJBWXVQJHKOQ-ZDUSSCGKSA-N 1 1 278.327 3.323 20 10 CGCDMO CCO[C@H]1CCC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835025439 634324575 /nfs/dbraw/zinc/32/45/75/634324575.db2.gz VMDZYHRHWSLINI-FZMUQLTDSA-N 1 1 288.435 3.267 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000835026416 634325600 /nfs/dbraw/zinc/32/56/00/634325600.db2.gz VQBNLNZIFRISRL-DWTRPJMMSA-N 1 1 276.449 3.203 20 10 CGCDMO CS[C@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835053906 634338348 /nfs/dbraw/zinc/33/83/48/634338348.db2.gz FWZMIZYOIKEIDV-APHBUQMISA-N 1 1 276.449 3.203 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccn2C)c(O)c1 ZINC000876546249 634855086 /nfs/dbraw/zinc/85/50/86/634855086.db2.gz UJXLZPZJRPRHFH-MRXNPFEDSA-N 1 1 270.376 3.376 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000876634667 634872763 /nfs/dbraw/zinc/87/27/63/634872763.db2.gz YGKIKVYSDJOOAX-IBGZPJMESA-N 1 1 297.398 3.446 20 10 CGCDMO COCC1CCC([NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000840879319 635071811 /nfs/dbraw/zinc/07/18/11/635071811.db2.gz DSIAYRXOAKXHAM-DCBWTQNWSA-N 1 1 281.371 3.387 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000877524411 635072280 /nfs/dbraw/zinc/07/22/80/635072280.db2.gz XLKPXWDOIJROLA-INIZCTEOSA-N 1 1 268.360 3.433 20 10 CGCDMO Cc1ccc(C[N@@H+](C)Cc2ccc(O)cc2)c(O)c1 ZINC000877527324 635073629 /nfs/dbraw/zinc/07/36/29/635073629.db2.gz KHVYMHHIZNPJLO-UHFFFAOYSA-N 1 1 257.333 3.038 20 10 CGCDMO C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1csnn1 ZINC000840886188 635073889 /nfs/dbraw/zinc/07/38/89/635073889.db2.gz QYBGWSXPLUKTMB-WEDXCCLWSA-N 1 1 293.367 3.282 20 10 CGCDMO Cc1cc(O)c(CNC[C@H]2CC[N@@H+](C(C)C)C2)c(Cl)c1 ZINC000840887752 635075476 /nfs/dbraw/zinc/07/54/76/635075476.db2.gz OORMTBNCFWRPLR-CYBMUJFWSA-N 1 1 296.842 3.174 20 10 CGCDMO Cc1cc(O)c(CNC[C@H]2CC[N@H+](C(C)C)C2)c(Cl)c1 ZINC000840887752 635075480 /nfs/dbraw/zinc/07/54/80/635075480.db2.gz OORMTBNCFWRPLR-CYBMUJFWSA-N 1 1 296.842 3.174 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCCc2occc2C1 ZINC000877537418 635078058 /nfs/dbraw/zinc/07/80/58/635078058.db2.gz KYRPXBGSLJBPPQ-UHFFFAOYSA-N 1 1 257.333 3.242 20 10 CGCDMO Cc1cc(C[C@@H](C)[NH2+]Cc2c(O)cc(C)cc2Cl)n[nH]1 ZINC000840908782 635079963 /nfs/dbraw/zinc/07/99/63/635079963.db2.gz JJUKBCTYHAUJPC-SNVBAGLBSA-N 1 1 293.798 3.106 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@](C)(O)CC2)c(Cl)c1 ZINC000840941362 635088257 /nfs/dbraw/zinc/08/82/57/635088257.db2.gz VKDDHQHLYNCRNA-OAHLLOKOSA-N 1 1 283.799 3.091 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+](CC1CCC1)[C@@H](C)CO ZINC000840943592 635089490 /nfs/dbraw/zinc/08/94/90/635089490.db2.gz VNUUZSMLFBKGLP-HNNXBMFYSA-N 1 1 290.451 3.044 20 10 CGCDMO CS[C@@H]1CC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840951179 635090734 /nfs/dbraw/zinc/09/07/34/635090734.db2.gz TVKGQBNIYCLVAD-SNVBAGLBSA-N 1 1 271.813 3.291 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000840959609 635094111 /nfs/dbraw/zinc/09/41/11/635094111.db2.gz YYKSOMCEGIZBEH-IAGOWNOFSA-N 1 1 283.371 3.009 20 10 CGCDMO COC1([C@@H](C)[NH2+]Cc2c(O)ccc(Cl)c2F)CCC1 ZINC000840969820 635096762 /nfs/dbraw/zinc/09/67/62/635096762.db2.gz LLUPDHUGVRLHPM-SECBINFHSA-N 1 1 287.762 3.232 20 10 CGCDMO CCOC[C@@H]1CCCC[N@H+]1Cc1c(C)cccc1O ZINC000877584509 635102230 /nfs/dbraw/zinc/10/22/30/635102230.db2.gz GTNNQBQALIPSRA-AWEZNQCLSA-N 1 1 263.381 3.092 20 10 CGCDMO Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c(O)c1 ZINC000877588573 635104317 /nfs/dbraw/zinc/10/43/17/635104317.db2.gz SRYGOIQFOQYCPC-IRXDYDNUSA-N 1 1 283.371 3.009 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC2(CCOCC2)[C@H]1C(C)C ZINC000877591655 635104854 /nfs/dbraw/zinc/10/48/54/635104854.db2.gz WWTQMSDFNIQJKE-QGZVFWFLSA-N 1 1 289.419 3.338 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000877603022 635107912 /nfs/dbraw/zinc/10/79/12/635107912.db2.gz CANUCXPBLFKODE-GDBMZVCRSA-N 1 1 275.392 3.092 20 10 CGCDMO Oc1ccccc1C[N@@H+]1CC[C@H](O)C[C@H]1c1ccccc1 ZINC000877673797 635141096 /nfs/dbraw/zinc/14/10/96/635141096.db2.gz RMDGFCSRZMCDRX-IRXDYDNUSA-N 1 1 283.371 3.090 20 10 CGCDMO Oc1cccc2c1C[N@@H+](C[C@@H]1CCOc3ccccc31)C2 ZINC000877703156 635155243 /nfs/dbraw/zinc/15/52/43/635155243.db2.gz TZTQHDWKYLEILT-AWEZNQCLSA-N 1 1 281.355 3.274 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877737329 635170250 /nfs/dbraw/zinc/17/02/50/635170250.db2.gz FMJCLIUINTUSIS-ZYHUDNBSSA-N 1 1 283.824 3.231 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)[C@@H](C)[C@H]1C ZINC000841690677 635213027 /nfs/dbraw/zinc/21/30/27/635213027.db2.gz MWIGNFRQOIGYGI-AGIUHOORSA-N 1 1 270.376 3.417 20 10 CGCDMO C[C@@H]([NH2+]CCCC(C)(C)CO)c1ccc(Cl)cc1O ZINC000841753981 635227223 /nfs/dbraw/zinc/22/72/23/635227223.db2.gz GXZMQBPKEMTGEC-LLVKDONJSA-N 1 1 285.815 3.495 20 10 CGCDMO CCC[C@H](CCO)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841755789 635230241 /nfs/dbraw/zinc/23/02/41/635230241.db2.gz RXYXUTBAHCUWLE-VXGBXAGGSA-N 1 1 285.815 3.495 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc(Cl)cc1O ZINC000841757323 635231312 /nfs/dbraw/zinc/23/13/12/635231312.db2.gz NHFYAXAGDPEZHM-UHIISALHSA-N 1 1 283.799 3.247 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000843416804 635662704 /nfs/dbraw/zinc/66/27/04/635662704.db2.gz YGNYXDOWWBBPKS-HNNXBMFYSA-N 1 1 299.370 3.054 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2ncccn2)cc1 ZINC000878975332 635668730 /nfs/dbraw/zinc/66/87/30/635668730.db2.gz BFBYTGZBHQVSOC-QGZVFWFLSA-N 1 1 296.418 3.270 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H]2c2ncccn2)cc1 ZINC000878975332 635668734 /nfs/dbraw/zinc/66/87/34/635668734.db2.gz BFBYTGZBHQVSOC-QGZVFWFLSA-N 1 1 296.418 3.270 20 10 CGCDMO C[C@H]1SCC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000843434929 635674199 /nfs/dbraw/zinc/67/41/99/635674199.db2.gz OJGLSAODHRPJQL-HQJQHLMTSA-N 1 1 275.776 3.168 20 10 CGCDMO COc1cccc([C@H](C)[NH2+][C@H]2CCCC2(F)F)c1O ZINC000846172668 636153629 /nfs/dbraw/zinc/15/36/29/636153629.db2.gz OEQHPHXVNKAJPO-CABZTGNLSA-N 1 1 271.307 3.239 20 10 CGCDMO COc1ccc(C)cc1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000882883107 636447509 /nfs/dbraw/zinc/44/75/09/636447509.db2.gz NOFCDEMHKONMDB-UHFFFAOYSA-N 1 1 293.313 3.277 20 10 CGCDMO CC(C)c1c[nH]c(C[NH2+]Cc2ccc3c(c2)CCCN3C)n1 ZINC000882943467 636470141 /nfs/dbraw/zinc/47/01/41/636470141.db2.gz USWZJYUVHABYKO-UHFFFAOYSA-N 1 1 298.434 3.205 20 10 CGCDMO CSC[C@H]1CCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000130911140 636528712 /nfs/dbraw/zinc/52/87/12/636528712.db2.gz ZQIDTRGQYWZVRX-CQSZACIVSA-N 1 1 265.422 3.336 20 10 CGCDMO CC(C)c1c[nH]c(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000883092185 636538444 /nfs/dbraw/zinc/53/84/44/636538444.db2.gz IBRAEJAOVCJAMP-ZDUSSCGKSA-N 1 1 286.423 3.450 20 10 CGCDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1c(O)cccc1Cl ZINC000131501528 636670138 /nfs/dbraw/zinc/67/01/38/636670138.db2.gz JNBRIRGVTBBWHP-WDEREUQCSA-N 1 1 269.772 3.045 20 10 CGCDMO CCc1cccc(C[N@@H+](C)[C@@H]2CCN(CC)C[C@H]2C)c1O ZINC000848888783 636677207 /nfs/dbraw/zinc/67/72/07/636677207.db2.gz ZILIFZRUXFZPNY-RHSMWYFYSA-N 1 1 290.451 3.117 20 10 CGCDMO CCc1cccc(C[N@H+](C)[C@@H]2CCN(CC)C[C@H]2C)c1O ZINC000848888783 636677213 /nfs/dbraw/zinc/67/72/13/636677213.db2.gz ZILIFZRUXFZPNY-RHSMWYFYSA-N 1 1 290.451 3.117 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)c1O ZINC000848900944 636681428 /nfs/dbraw/zinc/68/14/28/636681428.db2.gz RVBWVRRLZUPZPM-QGZVFWFLSA-N 1 1 289.419 3.346 20 10 CGCDMO CCc1cccc(C[N@@H+]2CC[C@H](N3CCCC3)[C@@H]2C)c1O ZINC000848910521 636686287 /nfs/dbraw/zinc/68/62/87/636686287.db2.gz KYZKSISQDYKBEI-YOEHRIQHSA-N 1 1 288.435 3.013 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@H](N3CCCC3)[C@@H]2C)c1O ZINC000848910521 636686292 /nfs/dbraw/zinc/68/62/92/636686292.db2.gz KYZKSISQDYKBEI-YOEHRIQHSA-N 1 1 288.435 3.013 20 10 CGCDMO CCc1cccc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1O ZINC000848912879 636687672 /nfs/dbraw/zinc/68/76/72/636687672.db2.gz LEZSKIJSSSTVMM-WBVHZDCISA-N 1 1 289.419 3.344 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@](C)(F)C2)c1O ZINC000848914009 636688819 /nfs/dbraw/zinc/68/88/19/636688819.db2.gz GNYUYJRRZNUQJT-OAHLLOKOSA-N 1 1 251.345 3.279 20 10 CGCDMO C[C@@H]([NH2+]Cc1cscn1)c1ccc(N(C)C)cc1 ZINC000108941553 636893556 /nfs/dbraw/zinc/89/35/56/636893556.db2.gz YHLIGCVUUPBBAM-LLVKDONJSA-N 1 1 261.394 3.060 20 10 CGCDMO CC(C)(F)CC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000850374487 637037401 /nfs/dbraw/zinc/03/74/01/637037401.db2.gz KNYOSNIASGILEN-UHFFFAOYSA-N 1 1 263.715 3.413 20 10 CGCDMO CCOc1ccc(NCc2cccc(OC)c2O)[nH+]c1C ZINC000850411160 637052398 /nfs/dbraw/zinc/05/23/98/637052398.db2.gz PJGBIRXEPKVERO-UHFFFAOYSA-N 1 1 288.347 3.115 20 10 CGCDMO CCC[N@H+](C)CC(C)(C)NCc1cccc(OCC)c1O ZINC000850410531 637053075 /nfs/dbraw/zinc/05/30/75/637053075.db2.gz VYGBIWOLWSYYNH-UHFFFAOYSA-N 1 1 294.439 3.001 20 10 CGCDMO CCC[N@@H+](C)CC(C)(C)NCc1cccc(OCC)c1O ZINC000850410531 637053080 /nfs/dbraw/zinc/05/30/80/637053080.db2.gz VYGBIWOLWSYYNH-UHFFFAOYSA-N 1 1 294.439 3.001 20 10 CGCDMO C[C@H](N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1O ZINC000850538750 637113918 /nfs/dbraw/zinc/11/39/18/637113918.db2.gz LAESSEOKSYZCDW-LSDHHAIUSA-N 1 1 288.435 3.450 20 10 CGCDMO C[C@H](N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1O ZINC000850538750 637113920 /nfs/dbraw/zinc/11/39/20/637113920.db2.gz LAESSEOKSYZCDW-LSDHHAIUSA-N 1 1 288.435 3.450 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H]1C[C@]12CCOC2 ZINC000886027862 637372806 /nfs/dbraw/zinc/37/28/06/637372806.db2.gz JPUAWOFVMSXKCQ-RDJZCZTQSA-N 1 1 275.392 3.031 20 10 CGCDMO C[C@@H]([NH2+][C@H](CO)C1CCCCC1)c1c(O)cccc1F ZINC000886550061 637576062 /nfs/dbraw/zinc/57/60/62/637576062.db2.gz RUZFGMSOZXSZNC-BXUZGUMPSA-N 1 1 281.371 3.123 20 10 CGCDMO C[C@@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1c(O)cccc1F ZINC000886587747 637593718 /nfs/dbraw/zinc/59/37/18/637593718.db2.gz DYSFFVSWAZUJDC-JHJVBQTASA-N 1 1 281.371 3.387 20 10 CGCDMO C[C@@H]([NH2+]C[C@H](C)c1nccs1)c1c(O)cccc1F ZINC000886590381 637596297 /nfs/dbraw/zinc/59/62/97/637596297.db2.gz UIBUXPKHMLCREN-VHSXEESVSA-N 1 1 280.368 3.442 20 10 CGCDMO Cc1ccc(CC[NH2+][C@@H](C)c2c(O)cccc2F)nc1 ZINC000886624137 637614064 /nfs/dbraw/zinc/61/40/64/637614064.db2.gz YFPJLHLMMGDGSU-LBPRGKRZSA-N 1 1 274.339 3.128 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)c1 ZINC000853630090 637876616 /nfs/dbraw/zinc/87/66/16/637876616.db2.gz NJVFMHBQHZFDAY-BLLLJJGKSA-N 1 1 299.361 3.254 20 10 CGCDMO CCC1([NH3+])CCN([C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000925761268 638601608 /nfs/dbraw/zinc/60/16/08/638601608.db2.gz YADWTPJUUYEWRG-NSHDSACASA-N 1 1 282.815 3.310 20 10 CGCDMO Cc1ncc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)s1 ZINC000858127581 638637886 /nfs/dbraw/zinc/63/78/86/638637886.db2.gz JFKXXOOFUORKSA-UHFFFAOYSA-N 1 1 297.374 3.086 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](CO)CCC(C)C)c1ccc(F)cc1O ZINC000858485964 638737389 /nfs/dbraw/zinc/73/73/89/638737389.db2.gz QWDKLCVGNYBMBS-UKRRQHHQSA-N 1 1 283.387 3.369 20 10 CGCDMO Cc1ncccc1C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000858519250 638753145 /nfs/dbraw/zinc/75/31/45/638753145.db2.gz XLKWLIZUTPROQX-JTQLQIEISA-N 1 1 278.302 3.225 20 10 CGCDMO COc1ccc(N2CCC[N@H+]([C@@H](C)C3CC3)CC2)cc1 ZINC000929315396 638918087 /nfs/dbraw/zinc/91/80/87/638918087.db2.gz ITDSNOWNWDQMPB-AWEZNQCLSA-N 1 1 274.408 3.006 20 10 CGCDMO CC[C@@]1(C)C[N@@H+](Cc2cc(C)c(C)cc2O)CCO1 ZINC000190350686 640242587 /nfs/dbraw/zinc/24/25/87/640242587.db2.gz CAXYTJIDUBLTKB-INIZCTEOSA-N 1 1 263.381 3.010 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCSC[C@H](C)C2)c1 ZINC000192181151 640356085 /nfs/dbraw/zinc/35/60/85/640356085.db2.gz QAADGMGKZUGIPB-GFCCVEGCSA-N 1 1 265.422 3.194 20 10 CGCDMO Cc1cc(NCc2ccc(N3CCCC3)cc2)nc(C)[nH+]1 ZINC000192809215 640407894 /nfs/dbraw/zinc/40/78/94/640407894.db2.gz MEBFXIHWMQWUSM-UHFFFAOYSA-N 1 1 282.391 3.306 20 10 CGCDMO Oc1ccccc1C[N@@H+](C[C@H]1CCCO1)[C@@H]1C=CCCC1 ZINC000245828132 640641179 /nfs/dbraw/zinc/64/11/79/640641179.db2.gz ZYGGNXSBADFOOT-IAGOWNOFSA-N 1 1 287.403 3.482 20 10 CGCDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000092737249 640744478 /nfs/dbraw/zinc/74/44/78/640744478.db2.gz WSJNCBGLFGYHOY-JKSUJKDBSA-N 1 1 288.435 3.144 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)[C@@H]2CCCC[C@@H]21 ZINC000248410052 640756531 /nfs/dbraw/zinc/75/65/31/640756531.db2.gz DAKBWXDPCQLIFZ-MRVWCRGKSA-N 1 1 289.375 3.131 20 10 CGCDMO CCCC[C@@H](O)C[N@@H+](CC)Cc1ccc(N(C)C)cc1 ZINC001252098899 805994746 /nfs/dbraw/zinc/99/47/46/805994746.db2.gz XGMBWNVRSZTNJO-QGZVFWFLSA-N 1 1 278.440 3.126 20 10 CGCDMO CC(C)n1ccc2c1nc[nH+]c2NCc1ccc(O)c(O)c1 ZINC001158997899 806029196 /nfs/dbraw/zinc/02/91/96/806029196.db2.gz SYLBOXABMNQICW-UHFFFAOYSA-N 1 1 298.346 3.036 20 10 CGCDMO CC(=O)c1cc(F)cc(C[NH+]2C[C@@H](C)C[C@H](C)C2)c1O ZINC000037322462 798866166 /nfs/dbraw/zinc/86/61/66/798866166.db2.gz GQLIHQRCBJGGJZ-QWRGUYRKSA-N 1 1 279.355 3.212 20 10 CGCDMO Cc1ccc(C[NH2+]Cc2cccc(Br)c2O)o1 ZINC000053037019 798897339 /nfs/dbraw/zinc/89/73/39/798897339.db2.gz NDPQXZVNMFGSRI-UHFFFAOYSA-N 1 1 296.164 3.346 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2ccc3c(c2)OCO3)cc1C ZINC000126417365 799006651 /nfs/dbraw/zinc/00/66/51/799006651.db2.gz KCIFZVVKBTZYIN-UHFFFAOYSA-N 1 1 299.370 3.370 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c1O ZINC000250410520 799162333 /nfs/dbraw/zinc/16/23/33/799162333.db2.gz YEDOJHPOOKVNGV-KGLIPLIRSA-N 1 1 275.392 3.413 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c1O ZINC000380690384 799365613 /nfs/dbraw/zinc/36/56/13/799365613.db2.gz BREIUXNSBRKLSI-ZJUUUORDSA-N 1 1 281.783 3.479 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCCO1 ZINC000384714110 799419098 /nfs/dbraw/zinc/41/90/98/799419098.db2.gz GVENVYNEEICWCH-CYBMUJFWSA-N 1 1 269.772 3.047 20 10 CGCDMO CC[N@@H+](Cc1cc(Cl)ccc1O)[C@@H]1CCCOC1 ZINC000402771926 799563944 /nfs/dbraw/zinc/56/39/44/799563944.db2.gz UEFDAILOFMSVTL-CYBMUJFWSA-N 1 1 269.772 3.047 20 10 CGCDMO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1cc(N)[nH+]cn1 ZINC001163486162 806770161 /nfs/dbraw/zinc/77/01/61/806770161.db2.gz FBKULYAXKVOGJE-MRXNPFEDSA-N 1 1 298.390 3.117 20 10 CGCDMO CCSC1(C[NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000691799920 799786981 /nfs/dbraw/zinc/78/69/81/799786981.db2.gz IGVQMQBQLYADEP-JTQLQIEISA-N 1 1 269.385 3.468 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](C(C)C)C2)c1 ZINC000694455037 799821634 /nfs/dbraw/zinc/82/16/34/799821634.db2.gz MVBFIRMMIGJMNV-CYBMUJFWSA-N 1 1 263.381 3.269 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCCC(F)(F)CC2)c1O ZINC000702823718 799914825 /nfs/dbraw/zinc/91/48/25/799914825.db2.gz LFQZSTNXUBVHDA-UHFFFAOYSA-N 1 1 285.334 3.412 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccns1 ZINC000715997830 800158206 /nfs/dbraw/zinc/15/82/06/800158206.db2.gz LVOGWLNXQUFCFK-DTWKUNHWSA-N 1 1 266.341 3.400 20 10 CGCDMO COc1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1C ZINC000719399582 800237906 /nfs/dbraw/zinc/23/79/06/800237906.db2.gz DTJKRYPUCPBFIX-UHFFFAOYSA-N 1 1 282.796 3.403 20 10 CGCDMO COc1cccc(C[C@@H](C)[N@@H+](C)Cc2ccccc2O)c1 ZINC001256167248 806842839 /nfs/dbraw/zinc/84/28/39/806842839.db2.gz KHQZVQWOSCDUFH-CQSZACIVSA-N 1 1 285.387 3.464 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCSC1 ZINC001116439638 802349326 /nfs/dbraw/zinc/34/93/26/802349326.db2.gz LBOPEUNSDBGDPD-MRXNPFEDSA-N 1 1 276.449 3.224 20 10 CGCDMO CCc1nocc1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001117759836 802488997 /nfs/dbraw/zinc/48/89/97/802488997.db2.gz DIKJQCLREFIAOR-UHFFFAOYSA-N 1 1 299.418 3.469 20 10 CGCDMO CCc1nocc1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001117759836 802489003 /nfs/dbraw/zinc/48/90/03/802489003.db2.gz DIKJQCLREFIAOR-UHFFFAOYSA-N 1 1 299.418 3.469 20 10 CGCDMO C[C@@H]([NH2+]C1CC2(CC2(F)F)C1)c1ccc(F)cc1O ZINC001118493760 802576752 /nfs/dbraw/zinc/57/67/52/802576752.db2.gz VOWDHNJFSLVIDY-NCZMNARYSA-N 1 1 271.282 3.370 20 10 CGCDMO CS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2O)C1 ZINC001119237386 802636541 /nfs/dbraw/zinc/63/65/41/802636541.db2.gz UVTRQKRBCDGHSI-KGLIPLIRSA-N 1 1 265.422 3.417 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)[C@H]2CC[C@@H](SC)C2)c1O ZINC001119496079 802672065 /nfs/dbraw/zinc/67/20/65/802672065.db2.gz HAAOZMBFZINISQ-UONOGXRCSA-N 1 1 295.448 3.425 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@@H](C(C)C)C2)c(O)c1OC ZINC001119959645 802714410 /nfs/dbraw/zinc/71/44/10/802714410.db2.gz UYGBISSGBHAEGM-CYBMUJFWSA-N 1 1 293.407 3.277 20 10 CGCDMO C[C@@]1(F)CCCC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137832619 803778385 /nfs/dbraw/zinc/77/83/85/803778385.db2.gz BJSSUJJNRNOVMT-CQSZACIVSA-N 1 1 255.308 3.245 20 10 CGCDMO C[C@@]1(F)CCCC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137832619 803778392 /nfs/dbraw/zinc/77/83/92/803778392.db2.gz BJSSUJJNRNOVMT-CQSZACIVSA-N 1 1 255.308 3.245 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC001137837858 803779172 /nfs/dbraw/zinc/77/91/72/803779172.db2.gz XJSFQVJRLXHCIE-HNNXBMFYSA-N 1 1 272.323 3.263 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC001137837858 803779176 /nfs/dbraw/zinc/77/91/76/803779176.db2.gz XJSFQVJRLXHCIE-HNNXBMFYSA-N 1 1 272.323 3.263 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)c(C)n1-c1ccccc1 ZINC001137854006 803784253 /nfs/dbraw/zinc/78/42/53/803784253.db2.gz DTRODPBFYOXIQD-AUUYWEPGSA-N 1 1 298.430 3.297 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@H]2CO)c(C)n1-c1ccccc1 ZINC001137856235 803785543 /nfs/dbraw/zinc/78/55/43/803785543.db2.gz VPXJHKKUUXLFAP-SFHVURJKSA-N 1 1 284.403 3.051 20 10 CGCDMO COC[C@@H]1CC[N@H+]1Cc1cc(C)n(-c2ccccc2)c1C ZINC001137859431 803787968 /nfs/dbraw/zinc/78/79/68/803787968.db2.gz XYOWAPUZLKMFDP-SFHVURJKSA-N 1 1 284.403 3.315 20 10 CGCDMO Cc1cc(C[N@@H+]2CCOCC23CC3)c(C)n1-c1ccccc1 ZINC001137859424 803788026 /nfs/dbraw/zinc/78/80/26/803788026.db2.gz XTELURWWBVNYPZ-UHFFFAOYSA-N 1 1 296.414 3.459 20 10 CGCDMO Cc1cc(C[N@H+]2CCOCC23CC3)c(C)n1-c1ccccc1 ZINC001137859424 803788029 /nfs/dbraw/zinc/78/80/29/803788029.db2.gz XTELURWWBVNYPZ-UHFFFAOYSA-N 1 1 296.414 3.459 20 10 CGCDMO Cc1c(C[N@H+]2CCC[C@@H](F)C2)c2ccccc2n1C ZINC001138256584 803881793 /nfs/dbraw/zinc/88/17/93/803881793.db2.gz BSQXSMYHYJEALG-CYBMUJFWSA-N 1 1 260.356 3.421 20 10 CGCDMO COCC[N@@H+](Cc1c2ccccc2n(C)c1C)C(C)C ZINC001138256819 803882760 /nfs/dbraw/zinc/88/27/60/803882760.db2.gz LRBSMAVJCNBXGK-UHFFFAOYSA-N 1 1 274.408 3.344 20 10 CGCDMO Cc1c(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)c2ccccc2n1C ZINC001138253714 803882887 /nfs/dbraw/zinc/88/28/87/803882887.db2.gz DKTOPCGHHSAZLC-HNAYVOBHSA-N 1 1 298.430 3.488 20 10 CGCDMO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1c(C)n(C)c3ccccc31)C2 ZINC001138258358 803883911 /nfs/dbraw/zinc/88/39/11/803883911.db2.gz QWTWPNFZJXUDBS-KSSFIOAISA-N 1 1 284.403 3.240 20 10 CGCDMO Cc1c(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c2ccccc2n1C ZINC001138258023 803884790 /nfs/dbraw/zinc/88/47/90/803884790.db2.gz ISDJSZYWVJYTKD-KDOFPFPSSA-N 1 1 284.403 3.098 20 10 CGCDMO CC[N@@H+](Cc1ccc2cnn(C)c2c1)Cc1ccccc1O ZINC001139907089 804323692 /nfs/dbraw/zinc/32/36/92/804323692.db2.gz COEAWWQIRZFQDR-UHFFFAOYSA-N 1 1 295.386 3.301 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+](C)CC2CC(F)(F)C2)c1O ZINC001140182488 804395707 /nfs/dbraw/zinc/39/57/07/804395707.db2.gz RXWYMLXVANWLIL-UHFFFAOYSA-N 1 1 269.335 3.486 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c1O ZINC001140184069 804396141 /nfs/dbraw/zinc/39/61/41/804396141.db2.gz LSUYLPIAUZCVMH-UHFFFAOYSA-N 1 1 299.370 3.370 20 10 CGCDMO CCC[N@H+](Cc1ccc(Cl)cc1O)C1CCOCC1 ZINC001140464224 804441695 /nfs/dbraw/zinc/44/16/95/804441695.db2.gz HMMAHLHSFLCDMN-UHFFFAOYSA-N 1 1 283.799 3.437 20 10 CGCDMO CCC[N@@H+](Cc1ccc(Cl)cc1O)C1CCOCC1 ZINC001140464224 804441700 /nfs/dbraw/zinc/44/17/00/804441700.db2.gz HMMAHLHSFLCDMN-UHFFFAOYSA-N 1 1 283.799 3.437 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CCC[C@@H]2c2nccs2)c1O ZINC001140749054 804504684 /nfs/dbraw/zinc/50/46/84/804504684.db2.gz POWVJHFNOLJQAM-GFCCVEGCSA-N 1 1 290.388 3.200 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1O ZINC001140747365 804505329 /nfs/dbraw/zinc/50/53/29/804505329.db2.gz AJIFLWQZOOKUPC-JSGCOSHPSA-N 1 1 261.365 3.171 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](F)C2)c(O)c1 ZINC001140855127 804533379 /nfs/dbraw/zinc/53/33/79/804533379.db2.gz OIEBQWKTXLVZTB-AWEZNQCLSA-N 1 1 280.387 3.172 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](CF)C2)c(O)c1 ZINC001140855324 804533619 /nfs/dbraw/zinc/53/36/19/804533619.db2.gz VGGJLUXBUZMDRT-AWEZNQCLSA-N 1 1 294.414 3.420 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@](C)(CF)C2)c(O)c1 ZINC001140850176 804534016 /nfs/dbraw/zinc/53/40/16/804534016.db2.gz FWZMQCFULGENLI-KRWDZBQOSA-N 1 1 294.414 3.420 20 10 CGCDMO CC[C@H]1CCCC[N@H+]1Cc1c(O)cc(OC)cc1OC ZINC001141029184 804575840 /nfs/dbraw/zinc/57/58/40/804575840.db2.gz LKXATPKIRVIBRW-LBPRGKRZSA-N 1 1 279.380 3.174 20 10 CGCDMO CC[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1ccccc1O ZINC001141039833 804576948 /nfs/dbraw/zinc/57/69/48/804576948.db2.gz FCJLXSUYOUHQDU-UHFFFAOYSA-N 1 1 299.370 3.186 20 10 CGCDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2cc(O)ccc2O)c1 ZINC001141161240 804601547 /nfs/dbraw/zinc/60/15/47/804601547.db2.gz PVEGFXDICOKRBD-KRWDZBQOSA-N 1 1 299.370 3.444 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC001141161771 804601568 /nfs/dbraw/zinc/60/15/68/804601568.db2.gz XLEGZUWJQMRZDD-ZDUSSCGKSA-N 1 1 287.334 3.226 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CCC[C@](C)(O)CC2)c1O ZINC001143104575 804802021 /nfs/dbraw/zinc/80/20/21/804802021.db2.gz VITUIHBEAQRNSW-SFHVURJKSA-N 1 1 291.435 3.427 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1O ZINC001143111924 804803599 /nfs/dbraw/zinc/80/35/99/804803599.db2.gz IJGNHURTQHSCEB-CJNGLKHVSA-N 1 1 289.419 3.301 20 10 CGCDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143111479 804803655 /nfs/dbraw/zinc/80/36/55/804803655.db2.gz BYOBOSKMLLTJMT-JSGCOSHPSA-N 1 1 277.408 3.035 20 10 CGCDMO Cc1cc(C[N@H+]2CCc3cccc(O)c3C2)cs1 ZINC001248804110 804996876 /nfs/dbraw/zinc/99/68/76/804996876.db2.gz NDKHACNRFCAYKB-UHFFFAOYSA-N 1 1 259.374 3.320 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CC[C@H](C3CCCCC3)C2)c(O)c1 ZINC001144514573 804997462 /nfs/dbraw/zinc/99/74/62/804997462.db2.gz LAACBFQRMWTTPA-ZDUSSCGKSA-N 1 1 291.391 3.206 20 10 CGCDMO COc1ccc2c(c1)c1c(n2C)CC[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167940768 807278260 /nfs/dbraw/zinc/27/82/60/807278260.db2.gz SFQLIYLODVJZCX-WDNDVIMCSA-N 1 1 296.414 3.344 20 10 CGCDMO CC(C)c1cccc(NCc2ccc(O)c(O)c2)[nH+]1 ZINC001169993049 807735048 /nfs/dbraw/zinc/73/50/48/807735048.db2.gz MIMHPPNULUOEIX-UHFFFAOYSA-N 1 1 258.321 3.228 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@H](C)O1 ZINC001261673471 807777522 /nfs/dbraw/zinc/77/75/22/807777522.db2.gz VKDKKMACINBXPZ-CVEARBPZSA-N 1 1 288.435 3.286 20 10 CGCDMO Oc1cccc(F)c1Nc1cc[nH+]c2ccccc12 ZINC001174038239 808834953 /nfs/dbraw/zinc/83/49/53/808834953.db2.gz LBESXGYGJVARCY-UHFFFAOYSA-N 1 1 254.264 3.245 20 10 CGCDMO CCOc1ccc(N2CCC3(CC[N@@H+](C)C3)CC2)cc1 ZINC001276926549 809044811 /nfs/dbraw/zinc/04/48/11/809044811.db2.gz VCWLSDLQCRNTBG-UHFFFAOYSA-N 1 1 274.408 3.007 20 10 CGCDMO Nc1ccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001175505484 809432633 /nfs/dbraw/zinc/43/26/33/809432633.db2.gz DTIUHMXWALOOSB-UHFFFAOYSA-N 1 1 279.387 3.471 20 10 CGCDMO CN(c1ccc(N)cc1)C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175506627 809434013 /nfs/dbraw/zinc/43/40/13/809434013.db2.gz KBZUTGFDPNQYBQ-UHFFFAOYSA-N 1 1 293.414 3.495 20 10 CGCDMO C[C@H]1CC2(C[N@@H+]1Cc1cc(F)c(F)cc1O)CCOCC2 ZINC001182542890 810114026 /nfs/dbraw/zinc/11/40/26/810114026.db2.gz HRHICXSEEAIFQL-NSHDSACASA-N 1 1 297.345 3.061 20 10 CGCDMO C[C@H]1CC2(C[N@H+]1Cc1cc(F)c(F)cc1O)CCOCC2 ZINC001182542890 810114030 /nfs/dbraw/zinc/11/40/30/810114030.db2.gz HRHICXSEEAIFQL-NSHDSACASA-N 1 1 297.345 3.061 20 10 CGCDMO Oc1c(F)cccc1C[NH2+][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001182865270 810128261 /nfs/dbraw/zinc/12/82/61/810128261.db2.gz WKFSTXGFFSLACN-OUAUKWLOSA-N 1 1 271.282 3.055 20 10 CGCDMO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC001202101244 812015199 /nfs/dbraw/zinc/01/51/99/812015199.db2.gz GDNQLVCLSSHSKM-LSDHHAIUSA-N 1 1 299.361 3.354 20 10 CGCDMO COc1ccc2c(c1)c1c(n2C)CC[N@H+](CC2CCC2)C1 ZINC001202762808 812168941 /nfs/dbraw/zinc/16/89/41/812168941.db2.gz RKCBPARBDNOPFQ-UHFFFAOYSA-N 1 1 284.403 3.345 20 10 CGCDMO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1O ZINC001203536536 812387187 /nfs/dbraw/zinc/38/71/87/812387187.db2.gz XVDIFABFDFLCAN-SECBINFHSA-N 1 1 279.286 3.227 20 10 CGCDMO C[N@@H+](CCC(=O)c1cccs1)Cc1ccccc1O ZINC001203558676 812391861 /nfs/dbraw/zinc/39/18/61/812391861.db2.gz UQCIHZUSVKURNY-UHFFFAOYSA-N 1 1 275.373 3.159 20 10 CGCDMO CCOc1cccc(C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)c1O ZINC001203602106 812405461 /nfs/dbraw/zinc/40/54/61/812405461.db2.gz AAJSNIOXOSFBMP-DZGCQCFKSA-N 1 1 285.334 3.063 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@@](C)(F)[C@@H](F)C2)c1O ZINC001203602106 812405465 /nfs/dbraw/zinc/40/54/65/812405465.db2.gz AAJSNIOXOSFBMP-DZGCQCFKSA-N 1 1 285.334 3.063 20 10 CGCDMO CCOc1cccc(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)c1O ZINC001203602108 812405695 /nfs/dbraw/zinc/40/56/95/812405695.db2.gz AAJSNIOXOSFBMP-UKRRQHHQSA-N 1 1 285.334 3.063 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@@](C)(F)[C@H](F)C2)c1O ZINC001203602108 812405699 /nfs/dbraw/zinc/40/56/99/812405699.db2.gz AAJSNIOXOSFBMP-UKRRQHHQSA-N 1 1 285.334 3.063 20 10 CGCDMO O=C1CC[N@@H+](Cc2cc(Cl)ccc2O)[C@@H]2CCCC[C@H]12 ZINC001203648146 812414917 /nfs/dbraw/zinc/41/49/17/812414917.db2.gz FCLWVJSRWISUNA-UONOGXRCSA-N 1 1 293.794 3.379 20 10 CGCDMO O=C1CC[N@H+](Cc2cc(Cl)ccc2O)[C@@H]2CCCC[C@H]12 ZINC001203648146 812414921 /nfs/dbraw/zinc/41/49/21/812414921.db2.gz FCLWVJSRWISUNA-UONOGXRCSA-N 1 1 293.794 3.379 20 10 CGCDMO CCC[N@@H+](Cc1cc(OC)ccc1O)[C@@H](C)CC ZINC001203665894 812422132 /nfs/dbraw/zinc/42/21/32/812422132.db2.gz ZYRLNVRSVJLOHK-LBPRGKRZSA-N 1 1 251.370 3.411 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001203664494 812422637 /nfs/dbraw/zinc/42/26/37/812422637.db2.gz HGLJGKCJFIIAHO-UHFFFAOYSA-N 1 1 289.762 3.310 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@](C)(F)CC2)c1 ZINC001203670524 812425319 /nfs/dbraw/zinc/42/53/19/812425319.db2.gz SMCMDIDVYXBMEJ-HNNXBMFYSA-N 1 1 267.344 3.115 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](C)[C@H](C)C2)c1 ZINC001203669880 812425378 /nfs/dbraw/zinc/42/53/78/812425378.db2.gz GRNPGUFBWCTYSM-CHWSQXEVSA-N 1 1 263.381 3.269 20 10 CGCDMO COc1cccc([C@H]2CCC[N@H+]2Cc2ccc(O)c(O)c2)c1 ZINC001203880539 812478731 /nfs/dbraw/zinc/47/87/31/812478731.db2.gz VFBBGBDUJAYMQD-MRXNPFEDSA-N 1 1 299.370 3.444 20 10 CGCDMO Oc1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)cc1O ZINC001203882640 812479908 /nfs/dbraw/zinc/47/99/08/812479908.db2.gz OTNXNUSZQQPFPK-UONOGXRCSA-N 1 1 261.365 3.252 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCN(C)CC2)c2ccccc21 ZINC001204232611 812580126 /nfs/dbraw/zinc/58/01/26/812580126.db2.gz GFKHDCNYLDPQPP-UHFFFAOYSA-N 1 1 297.446 3.043 20 10 CGCDMO CN(C)c1ccc(CN2CCC[N@H+](C)CC2)c2ccccc21 ZINC001204232611 812580129 /nfs/dbraw/zinc/58/01/29/812580129.db2.gz GFKHDCNYLDPQPP-UHFFFAOYSA-N 1 1 297.446 3.043 20 10 CGCDMO CN(C)c1ccc(CN2CCC[N@@H+](C)CC2)c2ccccc21 ZINC001204232611 812580133 /nfs/dbraw/zinc/58/01/33/812580133.db2.gz GFKHDCNYLDPQPP-UHFFFAOYSA-N 1 1 297.446 3.043 20 10 CGCDMO C[C@H]1COCC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204233235 812580586 /nfs/dbraw/zinc/58/05/86/812580586.db2.gz PEXRFZBAZQXGPQ-AWEZNQCLSA-N 1 1 284.403 3.127 20 10 CGCDMO Oc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2)c(O)c1 ZINC001204274706 812591555 /nfs/dbraw/zinc/59/15/55/812591555.db2.gz GZFHRXJCRSWOJP-INIZCTEOSA-N 1 1 269.344 3.435 20 10 CGCDMO Oc1ccc(C[N@H+]2CCc3cccc(Cl)c3C2)c(O)c1 ZINC001204281553 812596899 /nfs/dbraw/zinc/59/68/99/812596899.db2.gz VMFPGMUHNHCATN-UHFFFAOYSA-N 1 1 289.762 3.310 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1F ZINC001204326517 812614351 /nfs/dbraw/zinc/61/43/51/812614351.db2.gz YRHDNPAEFMPYDI-RHSMWYFYSA-N 1 1 276.399 3.467 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC001204333290 812616552 /nfs/dbraw/zinc/61/65/52/812616552.db2.gz ARWLZDGYFSMVTJ-TZMCWYRMSA-N 1 1 281.783 3.047 20 10 CGCDMO CCc1ccc(C[N@H+]2CCc3cccc(O)c3C2)o1 ZINC001204394681 812628344 /nfs/dbraw/zinc/62/83/44/812628344.db2.gz IILKUVKTRYRKGR-UHFFFAOYSA-N 1 1 257.333 3.106 20 10 CGCDMO COC(C)(C)C[N@@H+](C)Cc1cc(C(C)C)ccc1O ZINC001204633389 812696626 /nfs/dbraw/zinc/69/66/26/812696626.db2.gz UDEJZCWWZRSICJ-UHFFFAOYSA-N 1 1 265.397 3.372 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CC[C@]3(CCOC3)C2)c1 ZINC001204790317 812737808 /nfs/dbraw/zinc/73/78/08/812737808.db2.gz LDFVXZQUFYMXQV-KRWDZBQOSA-N 1 1 275.392 3.128 20 10 CGCDMO Cc1cc([O-])c(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1Cl ZINC001206318910 813286840 /nfs/dbraw/zinc/28/68/40/813286840.db2.gz VCLCEHCXQRXPMC-MRXNPFEDSA-N 1 1 296.842 3.305 20 10 CGCDMO Cc1cc([O-])c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1Cl ZINC001206318910 813286846 /nfs/dbraw/zinc/28/68/46/813286846.db2.gz VCLCEHCXQRXPMC-MRXNPFEDSA-N 1 1 296.842 3.305 20 10 CGCDMO CC(C)[N@@H+](Cc1ccc(Cl)cc1[O-])[C@@H]1CCC[NH2+]CC1 ZINC001206590417 813367222 /nfs/dbraw/zinc/36/72/22/813367222.db2.gz LMKBJJHKNGNVAG-OAHLLOKOSA-N 1 1 296.842 3.398 20 10 CGCDMO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccncc1F ZINC001206785639 813436407 /nfs/dbraw/zinc/43/64/07/813436407.db2.gz FILZSJNBKMYXDO-UHFFFAOYSA-N 1 1 299.393 3.453 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccncc1F ZINC001206785639 813436412 /nfs/dbraw/zinc/43/64/12/813436412.db2.gz FILZSJNBKMYXDO-UHFFFAOYSA-N 1 1 299.393 3.453 20 10 CGCDMO CC(C)c1ccc(O)c(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC001207174020 813505010 /nfs/dbraw/zinc/50/50/10/813505010.db2.gz GNGJPDINTPVKGG-DOTOQJQBSA-N 1 1 288.435 3.042 20 10 CGCDMO CC(C)c1ccc(O)c(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC001207174020 813505012 /nfs/dbraw/zinc/50/50/12/813505012.db2.gz GNGJPDINTPVKGG-DOTOQJQBSA-N 1 1 288.435 3.042 20 10 CGCDMO CC(C)c1ccc(O)c(CN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC001207174020 813505015 /nfs/dbraw/zinc/50/50/15/813505015.db2.gz GNGJPDINTPVKGG-DOTOQJQBSA-N 1 1 288.435 3.042 20 10 CGCDMO CC(C)c1ccc(O)c(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC001207174020 813505019 /nfs/dbraw/zinc/50/50/19/813505019.db2.gz GNGJPDINTPVKGG-DOTOQJQBSA-N 1 1 288.435 3.042 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CC[C@H](CF)C2)c1 ZINC001207301981 813538160 /nfs/dbraw/zinc/53/81/60/813538160.db2.gz MPGXLGUZTGGYAD-GFCCVEGCSA-N 1 1 251.345 3.307 20 10 CGCDMO COc1ccccc1CC[N@H+]1CCc2cccc(O)c2C1 ZINC001207457691 813567391 /nfs/dbraw/zinc/56/73/91/813567391.db2.gz BHZCFKOUQWWIPQ-UHFFFAOYSA-N 1 1 283.371 3.002 20 10 CGCDMO CC[N@@H+](CCOC(=O)c1ccccc1)Cc1ccccc1O ZINC001209046334 813922276 /nfs/dbraw/zinc/92/22/76/813922276.db2.gz FLUNNTBTYNATRR-UHFFFAOYSA-N 1 1 299.370 3.071 20 10 CGCDMO CCOC(=O)CCCCCC[N@@H+](C)Cc1ccccc1O ZINC001209350317 814002922 /nfs/dbraw/zinc/00/29/22/814002922.db2.gz ICXZSGMLOCRRAP-UHFFFAOYSA-N 1 1 293.407 3.338 20 10 CGCDMO C[C@H]1C[C@H]1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001209421451 814022501 /nfs/dbraw/zinc/02/25/01/814022501.db2.gz PUAVGDOGMFBYAY-HOCLYGCPSA-N 1 1 258.409 3.375 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCOC3(CC3)C2)cc1 ZINC001209519740 814072953 /nfs/dbraw/zinc/07/29/53/814072953.db2.gz HFYWSPLJZYOJAU-UHFFFAOYSA-N 1 1 296.414 3.459 20 10 CGCDMO COC[C@H]1CC[N@H+]1Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209519689 814073689 /nfs/dbraw/zinc/07/36/89/814073689.db2.gz FDKWOHSRJVOVBQ-GOSISDBHSA-N 1 1 284.403 3.315 20 10 CGCDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccc(N(C)C)cc2)C1 ZINC001227938689 817758970 /nfs/dbraw/zinc/75/89/70/817758970.db2.gz CPOPWZUCXQGQPT-MRXNPFEDSA-N 1 1 262.397 3.004 20 10 CGCDMO CC[N@@H+](Cc1c[nH]c2cnccc12)Cc1ccccc1O ZINC001231520029 818118698 /nfs/dbraw/zinc/11/86/98/818118698.db2.gz PYSNLDHHVAWANG-UHFFFAOYSA-N 1 1 281.359 3.291 20 10 CGCDMO Cc1cccc(C[N@@H+]2CC[C@@H](Oc3ncccc3C)C2)c1O ZINC001231595544 818134204 /nfs/dbraw/zinc/13/42/04/818134204.db2.gz 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/nfs/dbraw/zinc/19/74/62/818197462.db2.gz IJYLUBNRYBDIGB-UHFFFAOYSA-N 1 1 290.366 3.499 20 10 CGCDMO Oc1c(C[N@H+]2CCC[C@@]3(CCO3)C2)ccc2ccccc21 ZINC001231881295 818199653 /nfs/dbraw/zinc/19/96/53/818199653.db2.gz UURKVGVLMXYJHE-GOSISDBHSA-N 1 1 283.371 3.300 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)[C@H](C)CO1 ZINC001231883238 818202149 /nfs/dbraw/zinc/20/21/49/818202149.db2.gz MXZAJESWTHIBLM-CHWSQXEVSA-N 1 1 271.360 3.155 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001231909795 818208694 /nfs/dbraw/zinc/20/86/94/818208694.db2.gz IZOBADUOQSICKT-SMDDNHRTSA-N 1 1 281.783 3.047 20 10 CGCDMO O=C1CC[N@H+](Cc2cccc(Cl)c2[O-])[C@@H]2CCCC[C@H]12 ZINC001231909836 818209782 /nfs/dbraw/zinc/20/97/82/818209782.db2.gz RHQMSTNVXUFKFF-GXTWGEPZSA-N 1 1 293.794 3.379 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC3CCC2CC3)cc1Cl ZINC001232269716 818300677 /nfs/dbraw/zinc/30/06/77/818300677.db2.gz IQSPYMMWNJZKMB-UHFFFAOYSA-N 1 1 281.783 3.429 20 10 CGCDMO CNc1ccccc1C[N@@H+](C)Cc1ccccc1O 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819807873 /nfs/dbraw/zinc/80/78/73/819807873.db2.gz GODYMFNOTJAMFM-UHFFFAOYSA-N 1 1 282.796 3.443 20 10 CGCDMO Cc1cc(Cl)cc(CN2CC[C@@H]([N@H+](C)C(C)C)C2)c1O ZINC001237690221 819809267 /nfs/dbraw/zinc/80/92/67/819809267.db2.gz USPXBDHBCDOQGR-OAHLLOKOSA-N 1 1 296.842 3.269 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237798488 819845391 /nfs/dbraw/zinc/84/53/91/819845391.db2.gz GSEJOMNNPGWUED-GFCCVEGCSA-N 1 1 287.762 3.186 20 10 CGCDMO COCC1CC[NH+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237940011 819887459 /nfs/dbraw/zinc/88/74/59/819887459.db2.gz ABMXWLVVHBYBDI-UHFFFAOYSA-N 1 1 287.762 3.043 20 10 CGCDMO C[N@H+](Cc1cc(F)c(Cl)cc1O)C1CC(F)(F)C1 ZINC001237942837 819888260 /nfs/dbraw/zinc/88/82/60/819888260.db2.gz DOFIGLXHCHNIPT-UHFFFAOYSA-N 1 1 279.689 3.414 20 10 CGCDMO C[N@@H+](Cc1cc(F)c(Cl)cc1O)C1CC(F)(F)C1 ZINC001237942837 819888270 /nfs/dbraw/zinc/88/82/70/819888270.db2.gz DOFIGLXHCHNIPT-UHFFFAOYSA-N 1 1 279.689 3.414 20 10 CGCDMO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc(F)cc(C)c2O)no1 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Cc1cc(F)cc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c1O ZINC001238064497 819920963 /nfs/dbraw/zinc/92/09/63/819920963.db2.gz PMEQIKLKUOFNJK-STQMWFEESA-N 1 1 263.356 3.462 20 10 CGCDMO Cc1cc(F)cc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1O ZINC001238069249 819922927 /nfs/dbraw/zinc/92/29/27/819922927.db2.gz XRNQNLLAYLYEHN-PHIMTYICSA-N 1 1 251.345 3.318 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CC[C@H](COCC3CC3)C2)c1O ZINC001238065896 819923469 /nfs/dbraw/zinc/92/34/69/819923469.db2.gz CJFAINNMKWALHH-AWEZNQCLSA-N 1 1 293.382 3.088 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CC[C@@H](COCC3CC3)C2)c1O ZINC001238065903 819923542 /nfs/dbraw/zinc/92/35/42/819923542.db2.gz CJFAINNMKWALHH-CQSZACIVSA-N 1 1 293.382 3.088 20 10 CGCDMO Cc1cc(F)cc(C[N@@H+](C)CC2CCCC2)c1O ZINC001238071526 819924792 /nfs/dbraw/zinc/92/47/92/819924792.db2.gz YTLOEGYGXLSKOW-UHFFFAOYSA-N 1 1 251.345 3.462 20 10 CGCDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001341567844 936442587 /nfs/dbraw/zinc/44/25/87/936442587.db2.gz OOBHPZBSWLLBNE-QAPCUYQASA-N 1 1 288.435 3.022 20 10 CGCDMO CC[C@H](C)[N@H+](C)CCNCc1ccc(N(CC)CC)cc1 ZINC000217381387 928155857 /nfs/dbraw/zinc/15/58/57/928155857.db2.gz DGMPULXSOUIKKB-INIZCTEOSA-N 1 1 291.483 3.353 20 10 CGCDMO CC[C@H](C)[N@@H+](C)CCNCc1ccc(N(CC)CC)cc1 ZINC000217381387 928155863 /nfs/dbraw/zinc/15/58/63/928155863.db2.gz DGMPULXSOUIKKB-INIZCTEOSA-N 1 1 291.483 3.353 20 10 CGCDMO Cc1csc([C@@H](C)C[NH2+]Cc2cc(F)c(F)cc2O)n1 ZINC001560738743 937237269 /nfs/dbraw/zinc/23/72/69/937237269.db2.gz UZPYRSAUPRBQJQ-QMMMGPOBSA-N 1 1 298.358 3.329 20 10 CGCDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001308728933 928539634 /nfs/dbraw/zinc/53/96/34/928539634.db2.gz CHONHKSBMHRJSU-VXNVDRBHSA-N 1 1 295.251 3.443 20 10 CGCDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001308728933 928539644 /nfs/dbraw/zinc/53/96/44/928539644.db2.gz CHONHKSBMHRJSU-VXNVDRBHSA-N 1 1 295.251 3.443 20 10 CGCDMO COc1nscc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001459978049 937509351 /nfs/dbraw/zinc/50/93/51/937509351.db2.gz BDVGCOVDLROHBI-NSHDSACASA-N 1 1 291.420 3.069 20 10 CGCDMO CC[C@H]1CC[N@@H+](Cc2cc(C)cc(OC)c2O)[C@@H]1C ZINC001462124075 937619502 /nfs/dbraw/zinc/61/95/02/937619502.db2.gz LNQFBXKMKOKXFU-OLZOCXBDSA-N 1 1 263.381 3.330 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC[C@@](C)(OC)CC2)c(O)c1 ZINC001462201628 937625028 /nfs/dbraw/zinc/62/50/28/937625028.db2.gz PCUYUMRPZRQHIY-QGZVFWFLSA-N 1 1 293.407 3.100 20 10 CGCDMO CC1(C)CCC[C@](O)(C[NH2+]Cc2cccc(F)c2O)CC1 ZINC001462506841 937646128 /nfs/dbraw/zinc/64/61/28/937646128.db2.gz UJVJNTXOMVALSV-QGZVFWFLSA-N 1 1 295.398 3.342 20 10 CGCDMO C[C@H](Cc1cccc(F)c1)[NH2+]Cc1c(O)cccc1F ZINC001462587119 937651846 /nfs/dbraw/zinc/65/18/46/937651846.db2.gz FKYCKICQYDHYDV-LLVKDONJSA-N 1 1 277.314 3.391 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCOCC12CCCC2 ZINC001308551160 933130489 /nfs/dbraw/zinc/13/04/89/933130489.db2.gz IECCNQFESZUGDC-CQSZACIVSA-N 1 1 297.345 3.109 20 10 CGCDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C)cc1O ZINC001308740106 933168334 /nfs/dbraw/zinc/16/83/34/933168334.db2.gz NCEYRSCHOSLPJJ-GOSISDBHSA-N 1 1 299.414 3.390 20 10 CGCDMO COc1cc(C)c(C[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c(O)c1 ZINC001308827307 933185886 /nfs/dbraw/zinc/18/58/86/933185886.db2.gz ZCDNXLAXCYWLMW-AVGNSLFASA-N 1 1 263.381 3.186 20 10 CGCDMO C[C@H]([NH2+]Cc1cccc(F)c1O)c1ccccc1[N+](=O)[O-] ZINC001308929583 933206016 /nfs/dbraw/zinc/20/60/16/933206016.db2.gz WOTNDPYHDXNUNA-JTQLQIEISA-N 1 1 290.294 3.290 20 10 CGCDMO COc1cc(C)c(C[N@H+]2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)c(O)c1 ZINC001308961471 933214927 /nfs/dbraw/zinc/21/49/27/933214927.db2.gz XBVAFUSUEFAISL-BDEJMISXSA-N 1 1 299.414 3.353 20 10 CGCDMO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC001320485534 934052960 /nfs/dbraw/zinc/05/29/60/934052960.db2.gz GHGCPNKPMFJJSW-SFHVURJKSA-N 1 1 295.382 3.016 20 10 CGCDMO C[C@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC001320884733 934117491 /nfs/dbraw/zinc/11/74/91/934117491.db2.gz FACBRXGIHXKCHF-MRXNPFEDSA-N 1 1 298.430 3.136 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)CCC(F)(F)F)cc1C ZINC001324142765 934464244 /nfs/dbraw/zinc/46/42/44/934464244.db2.gz CWWMFGCJFCNZPH-UHFFFAOYSA-N 1 1 261.287 3.393 20 10 CGCDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001324711558 934554038 /nfs/dbraw/zinc/55/40/38/934554038.db2.gz GMAPTSNJZVUUAZ-DOTOQJQBSA-N 1 1 288.435 3.286 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H]1C ZINC001325127500 934888334 /nfs/dbraw/zinc/88/83/34/934888334.db2.gz HSFHFWRGCRRDFX-YJBOKZPZSA-N 1 1 288.435 3.144 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCC[C@H](F)C1)c1ccc(F)cc1O ZINC001328400493 935135157 /nfs/dbraw/zinc/13/51/57/935135157.db2.gz RMADHZNADDBKST-NHCYSSNCSA-N 1 1 255.308 3.463 20 10 CGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@@H](CF)C1 ZINC001332136982 935442710 /nfs/dbraw/zinc/44/27/10/935442710.db2.gz UREYIDVJGYANTG-LBPRGKRZSA-N 1 1 274.339 3.122 20 10 CGCDMO COCC[N@@H+](Cc1ccc(N)cc1)[C@H](C)c1ccccc1 ZINC001334753462 936111952 /nfs/dbraw/zinc/11/19/52/936111952.db2.gz DORLZFSJGNWTRM-OAHLLOKOSA-N 1 1 284.403 3.478 20 10 CGCDMO CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(N)cc1 ZINC001336286185 936186195 /nfs/dbraw/zinc/18/61/95/936186195.db2.gz ODVQGJWUIYHDSU-LJQANCHMSA-N 1 1 298.430 3.288 20 10 CGCDMO CC[C@]1(C)CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001474349031 937852681 /nfs/dbraw/zinc/85/26/81/937852681.db2.gz NYOUFIHPZSYXKR-CQSZACIVSA-N 1 1 255.308 3.292 20 10 CGCDMO CC[C@]1(C)CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001474349031 937852683 /nfs/dbraw/zinc/85/26/83/937852683.db2.gz NYOUFIHPZSYXKR-CQSZACIVSA-N 1 1 255.308 3.292 20 10 CGCDMO COC(=O)CC(C)(C)[N@@H+](C)Cc1cc(C(C)C)ccc1O ZINC001474368979 937854480 /nfs/dbraw/zinc/85/44/80/937854480.db2.gz DTUMQUKLMNMQQX-UHFFFAOYSA-N 1 1 293.407 3.289 20 10 CGCDMO Cc1ccc(C[N@H+]2CCOCC23CCCCC3)c(O)c1 ZINC001474524575 937864990 /nfs/dbraw/zinc/86/49/90/937864990.db2.gz CCOKATKKEKUXSF-UHFFFAOYSA-N 1 1 275.392 3.236 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]3[C@H](C2)C3(F)F)c(Cl)c1 ZINC001474572433 937868134 /nfs/dbraw/zinc/86/81/34/937868134.db2.gz VKOBUVBZBOMGCK-MNOVXSKESA-N 1 1 287.737 3.441 20 10 CGCDMO CCc1cccc(C[N@H+]2Cc3cccc(O)c3C2)c1 ZINC001474677895 937874415 /nfs/dbraw/zinc/87/44/15/937874415.db2.gz YWMPCBJZPATDAO-UHFFFAOYSA-N 1 1 253.345 3.470 20 10 CGCDMO C[C@@]1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CCCCO1 ZINC001560606701 938265092 /nfs/dbraw/zinc/26/50/92/938265092.db2.gz ZNXIFAZKIGXDIT-AWEZNQCLSA-N 1 1 287.762 3.234 20 10 CGCDMO Oc1cc(Cl)ccc1C[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC001560732205 938272895 /nfs/dbraw/zinc/27/28/95/938272895.db2.gz GILKVHORXRXFGA-UKRRQHHQSA-N 1 1 281.783 3.093 20 10 CGCDMO CCc1cccc(C[N@@H+](C)[C@@H]2C[C@H](OC)C23CCC3)c1O ZINC001560835033 938278842 /nfs/dbraw/zinc/27/88/42/938278842.db2.gz YHEYDQVSRBWGRX-CVEARBPZSA-N 1 1 289.419 3.344 20 10 CGCDMO CCc1cccc(C[N@@H+](C)[C@H]2C[C@H](OC)C23CCC3)c1O ZINC001560835034 938278906 /nfs/dbraw/zinc/27/89/06/938278906.db2.gz YHEYDQVSRBWGRX-HOTGVXAUSA-N 1 1 289.419 3.344 20 10 CGCDMO CCOC1CC([N@@H+](C)C/C=C\c2ccc(N(C)C)cc2)C1 ZINC001560861866 938280407 /nfs/dbraw/zinc/28/04/07/938280407.db2.gz ZCXLPKMUWDXDKC-SREVYHEPSA-N 1 1 288.435 3.265 20 10 CGCDMO Oc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001560880442 938281880 /nfs/dbraw/zinc/28/18/80/938281880.db2.gz JANJZYXVOXCZIG-JIMOISOXSA-N 1 1 251.757 3.324 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC001560934117 938284970 /nfs/dbraw/zinc/28/49/70/938284970.db2.gz JKRFNZWLTZTDQK-JBLDHEPKSA-N 1 1 267.319 3.196 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H](N3CCCC3)C2)cc1C ZINC000092046833 370089498 /nfs/dbraw/zinc/08/94/98/370089498.db2.gz NGVHNHYZUDZGMF-KRWDZBQOSA-N 1 1 288.435 3.069 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](N3CCCC3)C2)cc1C ZINC000092046833 370089501 /nfs/dbraw/zinc/08/95/01/370089501.db2.gz NGVHNHYZUDZGMF-KRWDZBQOSA-N 1 1 288.435 3.069 20 10 CGCDMO CCC[N@@H+](Cc1cnn(CC)c1)Cc1ccccc1O ZINC000092704966 370100378 /nfs/dbraw/zinc/10/03/78/370100378.db2.gz DWUOFQMEXVZQDI-UHFFFAOYSA-N 1 1 273.380 3.021 20 10 CGCDMO CCOC[C@@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000113922577 370487693 /nfs/dbraw/zinc/48/76/93/370487693.db2.gz MIOJTKCAMIEBKK-OAHLLOKOSA-N 1 1 277.408 3.258 20 10 CGCDMO COCCc1cc[nH+]c(N[C@@H](C)c2ccc(F)cc2O)c1 ZINC000287643683 371687743 /nfs/dbraw/zinc/68/77/43/371687743.db2.gz URQDZUTWOZZTOA-NSHDSACASA-N 1 1 290.338 3.288 20 10 CGCDMO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000293924036 372527063 /nfs/dbraw/zinc/52/70/63/372527063.db2.gz GXZMBJPSUSNYSI-GOSISDBHSA-N 1 1 297.398 3.406 20 10 CGCDMO Cc1cc(C)c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c(O)c1 ZINC000296395508 373117856 /nfs/dbraw/zinc/11/78/56/373117856.db2.gz KFRDUGIFGJPVOU-WZYMTQMTSA-N 1 1 288.435 3.285 20 10 CGCDMO Cc1nc(NCc2ccc(N3CC=CC3)cc2)c(C)c(C)[nH+]1 ZINC000301675852 373797781 /nfs/dbraw/zinc/79/77/81/373797781.db2.gz HIYJOCPLOQEPFU-UHFFFAOYSA-N 1 1 294.402 3.390 20 10 CGCDMO CCOCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000192687479 375778986 /nfs/dbraw/zinc/77/89/86/375778986.db2.gz LPHKDNAMNZRDOI-QMMMGPOBSA-N 1 1 278.179 3.386 20 10 CGCDMO Oc1c(F)cccc1C[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC000529641349 375931610 /nfs/dbraw/zinc/93/16/10/375931610.db2.gz QQLMDYKLMTZGAF-OAHLLOKOSA-N 1 1 292.398 3.028 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+](C)C[C@H]2CCCCO2)c1O ZINC000228631118 376444401 /nfs/dbraw/zinc/44/44/01/376444401.db2.gz JKVDJUTZNHWLJA-CYBMUJFWSA-N 1 1 299.798 3.055 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)CCN(C)C)c1ccc(N(C)C)cc1 ZINC000268981134 378165038 /nfs/dbraw/zinc/16/50/38/378165038.db2.gz HSEFTLWBKCTOLC-PBHICJAKSA-N 1 1 277.456 3.134 20 10 CGCDMO C[C@@]1(O)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000271220067 378483227 /nfs/dbraw/zinc/48/32/27/378483227.db2.gz OSMJLIMNFFZJAO-GOSISDBHSA-N 1 1 283.371 3.016 20 10 CGCDMO Cc1cccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)c1O ZINC000271802222 378504074 /nfs/dbraw/zinc/50/40/74/378504074.db2.gz LNYNIPSAHWNGHT-QGZVFWFLSA-N 1 1 283.371 3.274 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000272335027 378615114 /nfs/dbraw/zinc/61/51/14/378615114.db2.gz XHZRWWLDNXHMAE-CQSZACIVSA-N 1 1 260.312 3.197 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000272335027 378615119 /nfs/dbraw/zinc/61/51/19/378615119.db2.gz XHZRWWLDNXHMAE-CQSZACIVSA-N 1 1 260.312 3.197 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000373229353 379244125 /nfs/dbraw/zinc/24/41/25/379244125.db2.gz KRXMMLQJTRRPOI-KBXCAEBGSA-N 1 1 283.371 3.156 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H](OC)C(C)C)c1ccc(F)cc1O ZINC000286153157 380168064 /nfs/dbraw/zinc/16/80/64/380168064.db2.gz PNFWABLJFXZUDB-HIFRSBDPSA-N 1 1 269.360 3.243 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(F)cc1O ZINC000286281959 380188194 /nfs/dbraw/zinc/18/81/94/380188194.db2.gz WAONSWMZJWTKSG-KBPBESRZSA-N 1 1 289.354 3.373 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1[O-] ZINC000285572356 380150837 /nfs/dbraw/zinc/15/08/37/380150837.db2.gz IBGAKMCRZXUSFV-WBMJQRKESA-N 1 1 292.398 3.056 20 10 CGCDMO CC[C@@H]([NH2+]CCc1ccncc1)c1ccc(F)cc1O ZINC000285904231 380153104 /nfs/dbraw/zinc/15/31/04/380153104.db2.gz CVXYAFDIASCYGR-OAHLLOKOSA-N 1 1 274.339 3.210 20 10 CGCDMO CC[C@@H]([NH2+][C@H](CCO)C(C)(C)C)c1ccc(F)cc1O ZINC000286022141 380158671 /nfs/dbraw/zinc/15/86/71/380158671.db2.gz IRWOXDAHJROAGO-UKRRQHHQSA-N 1 1 283.387 3.369 20 10 CGCDMO C[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1ccc(F)cc1O ZINC000368651632 382380159 /nfs/dbraw/zinc/38/01/59/382380159.db2.gz HUBGKBFDXGVISS-YMRXKLBXSA-N 1 1 293.382 3.387 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H]2CCOC2)cc1F ZINC000093839893 392240732 /nfs/dbraw/zinc/24/07/32/392240732.db2.gz PMAMKWDQFYHQCY-HNNXBMFYSA-N 1 1 294.414 3.140 20 10 CGCDMO C[C@@H]([NH2+]CCCN(C)C)c1ccc(N2CCCCC2)cc1 ZINC000151951888 261057376 /nfs/dbraw/zinc/05/73/76/261057376.db2.gz BJZRDLLUAFHELZ-MRXNPFEDSA-N 1 1 289.467 3.279 20 10 CGCDMO OCC[N@@H+](Cc1ccccc1)Cc1c(O)cccc1Cl ZINC000158322794 261163618 /nfs/dbraw/zinc/16/36/18/261163618.db2.gz GHUBALUKPIHPSM-UHFFFAOYSA-N 1 1 291.778 3.040 20 10 CGCDMO COc1ccccc1C[N@@H+](C)Cc1cccc(OC)c1O ZINC000160421274 261213948 /nfs/dbraw/zinc/21/39/48/261213948.db2.gz UPXBWQZCZZEZAD-UHFFFAOYSA-N 1 1 287.359 3.041 20 10 CGCDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000184985362 262035875 /nfs/dbraw/zinc/03/58/75/262035875.db2.gz DVCXQLKOQYGTIJ-YPMHNXCESA-N 1 1 279.380 3.030 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(F)cc1O ZINC000185162430 262044303 /nfs/dbraw/zinc/04/43/03/262044303.db2.gz ZSMRMEPXKCLCTK-QLJPJBMISA-N 1 1 293.313 3.055 20 10 CGCDMO Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185346460 262051571 /nfs/dbraw/zinc/05/15/71/262051571.db2.gz LDTOEPFYCKRJQF-VXGBXAGGSA-N 1 1 291.370 3.023 20 10 CGCDMO C[C@@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1ccc(F)cc1O ZINC000185644083 262063553 /nfs/dbraw/zinc/06/35/53/262063553.db2.gz QXHACFHGKZDFBT-RLCCDNCMSA-N 1 1 281.371 3.123 20 10 CGCDMO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)c1nccs1 ZINC000186727423 262322366 /nfs/dbraw/zinc/32/23/66/262322366.db2.gz QOKTWETXUHNHHE-ZJUUUORDSA-N 1 1 280.368 3.442 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@H](N3CCCC3)[C@H]2C)cc1C ZINC000288135283 263103550 /nfs/dbraw/zinc/10/35/50/263103550.db2.gz ABQFQFFCYGATTE-WBVHZDCISA-N 1 1 288.435 3.068 20 10 CGCDMO Cc1cc(O)c(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1C ZINC000288135283 263103551 /nfs/dbraw/zinc/10/35/51/263103551.db2.gz ABQFQFFCYGATTE-WBVHZDCISA-N 1 1 288.435 3.068 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1O ZINC000367740020 267114562 /nfs/dbraw/zinc/11/45/62/267114562.db2.gz IXSLTCAQVZOLRK-STQMWFEESA-N 1 1 295.810 3.212 20 10 CGCDMO Cc1ccc([C@@H](C)[NH2+]C2CCN(CC(C)C)CC2)c(O)c1 ZINC000184972910 327835574 /nfs/dbraw/zinc/83/55/74/327835574.db2.gz IMZWNKIOBJTSSD-OAHLLOKOSA-N 1 1 290.451 3.472 20 10 CGCDMO Cc1nc(C)c(C[NH2+][C@@H](C)c2ccc(F)cc2O)s1 ZINC000273607264 327924258 /nfs/dbraw/zinc/92/42/58/327924258.db2.gz UNSVGEIBSSBCQI-QMMMGPOBSA-N 1 1 280.368 3.455 20 10 CGCDMO CCCn1nc(C)c(C[N@@H+](C)Cc2ccccc2O)c1C ZINC000091956496 327188017 /nfs/dbraw/zinc/18/80/17/327188017.db2.gz BDKXHRYSKGPLQU-UHFFFAOYSA-N 1 1 287.407 3.248 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000377835658 329030951 /nfs/dbraw/zinc/03/09/51/329030951.db2.gz VPWSUHOYQXICLE-KGLIPLIRSA-N 1 1 293.382 3.170 20 10 CGCDMO COc1cccc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)c1O ZINC000378142213 329041397 /nfs/dbraw/zinc/04/13/97/329041397.db2.gz SEQSSHXZOMWUAN-MRXNPFEDSA-N 1 1 273.376 3.165 20 10 CGCDMO Oc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000378494312 329052897 /nfs/dbraw/zinc/05/28/97/329052897.db2.gz KQNYFVRCJJMXFZ-IEBWSBKVSA-N 1 1 297.398 3.480 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186439753 329342326 /nfs/dbraw/zinc/34/23/26/329342326.db2.gz OBMBPABPCRGJNH-SFHVURJKSA-N 1 1 281.355 3.024 20 10 CGCDMO CC(C)COCCC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000062745206 519754066 /nfs/dbraw/zinc/75/40/66/519754066.db2.gz PBPWQDIMOGTRBY-LBPRGKRZSA-N 1 1 269.360 3.245 20 10 CGCDMO CN(c1ccc(C[NH2+]Cc2ncc[nH]2)cc1)C1CCCCC1 ZINC000067695117 523636584 /nfs/dbraw/zinc/63/65/84/523636584.db2.gz DCLKOOWIIRSLOV-UHFFFAOYSA-N 1 1 298.434 3.468 20 10 CGCDMO Cc1cccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1O ZINC000290947596 524387093 /nfs/dbraw/zinc/38/70/93/524387093.db2.gz QJAOXEGVLKMTRQ-RDJZCZTQSA-N 1 1 287.403 3.234 20 10 CGCDMO C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccc(F)cc1O ZINC000278836799 525317390 /nfs/dbraw/zinc/31/73/90/525317390.db2.gz PGXPAXOFMGMDOS-LBPRGKRZSA-N 1 1 293.382 3.125 20 10 CGCDMO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cccc(Cl)c1O ZINC000289866975 525419486 /nfs/dbraw/zinc/41/94/86/525419486.db2.gz VQWGWIJFCKPPHK-OCCSQVGLSA-N 1 1 294.826 3.104 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000293505720 526332439 /nfs/dbraw/zinc/33/24/39/526332439.db2.gz BUAMRPRRXMUUDE-NSHDSACASA-N 1 1 299.773 3.376 20 10 CGCDMO COc1ccc2ccc(O)c(C[N@H+](C)Cc3ccon3)c2c1 ZINC000739884595 572425722 /nfs/dbraw/zinc/42/57/22/572425722.db2.gz IPWYBEQCCNSITQ-UHFFFAOYSA-N 1 1 298.342 3.174 20 10 CGCDMO COc1ccc2ccc(O)c(C[N@@H+](C)Cc3ccon3)c2c1 ZINC000739884595 572425723 /nfs/dbraw/zinc/42/57/23/572425723.db2.gz IPWYBEQCCNSITQ-UHFFFAOYSA-N 1 1 298.342 3.174 20 10 CGCDMO CCCCOCC[N@@H+](CCC)Cc1ccccc1O ZINC000743870577 572694783 /nfs/dbraw/zinc/69/47/83/572694783.db2.gz YBRQJKPVEHULAV-UHFFFAOYSA-N 1 1 265.397 3.421 20 10 CGCDMO CC[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000160272128 617806165 /nfs/dbraw/zinc/80/61/65/617806165.db2.gz USBGKAQJLVJDHR-ZDUSSCGKSA-N 1 1 293.407 3.422 20 10 CGCDMO CCC[C@H](C)[N@@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000891624483 618242642 /nfs/dbraw/zinc/24/26/42/618242642.db2.gz BNDIPEQLOIBAHZ-NSHDSACASA-N 1 1 267.369 3.030 20 10 CGCDMO COC1CCC(C[N@@H+](C)Cc2ccccc2O)CC1 ZINC000891713726 618253019 /nfs/dbraw/zinc/25/30/19/618253019.db2.gz LVRVNHVKSDTCGS-UHFFFAOYSA-N 1 1 263.381 3.029 20 10 CGCDMO CCC[N@@H+](Cc1c2c(nn1C)CCC2)Cc1ccccc1O ZINC000891853365 618341462 /nfs/dbraw/zinc/34/14/62/618341462.db2.gz KKQAPOKHQBVVJP-UHFFFAOYSA-N 1 1 299.418 3.027 20 10 CGCDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC000892068814 618517300 /nfs/dbraw/zinc/51/73/00/618517300.db2.gz UFPGCKWWPASBAK-DGCLKSJQSA-N 1 1 279.380 3.030 20 10 CGCDMO C[C@H]([NH2+]C1CCSCC1)c1ccc(F)cc1O ZINC000168830896 618914142 /nfs/dbraw/zinc/91/41/42/618914142.db2.gz VAILQZKVDRZGMY-VIFPVBQESA-N 1 1 255.358 3.078 20 10 CGCDMO Cc1cccc(C[N@H+]2CCCN(c3ccccc3)CC2)c1O ZINC000179827997 619010267 /nfs/dbraw/zinc/01/02/67/619010267.db2.gz DMLIQJBNWUBFNU-UHFFFAOYSA-N 1 1 296.414 3.413 20 10 CGCDMO CC(C)[N@@H+](C)C[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000312467693 619078312 /nfs/dbraw/zinc/07/83/12/619078312.db2.gz WUQUPYLZUAFQQQ-CABCVRRESA-N 1 1 277.456 3.132 20 10 CGCDMO CC(C)[N@H+](C)C[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000312467693 619078313 /nfs/dbraw/zinc/07/83/13/619078313.db2.gz WUQUPYLZUAFQQQ-CABCVRRESA-N 1 1 277.456 3.132 20 10 CGCDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000193470511 619129132 /nfs/dbraw/zinc/12/91/32/619129132.db2.gz UZCPOBIPQBUPIV-AWEZNQCLSA-N 1 1 266.454 3.326 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)CCOCC2CC2)c(Cl)c1 ZINC000840917658 619135210 /nfs/dbraw/zinc/13/52/10/619135210.db2.gz WCRMFQQENMBNHO-UHFFFAOYSA-N 1 1 283.799 3.212 20 10 CGCDMO CCOC[C@H]1CCCC[N@H+]1Cc1cc(C)ccc1O ZINC000313464352 619173787 /nfs/dbraw/zinc/17/37/87/619173787.db2.gz AHFFIAQTZLUDIJ-OAHLLOKOSA-N 1 1 263.381 3.092 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCS[C@H](C)[C@@H]2C)c1 ZINC000093501499 619202264 /nfs/dbraw/zinc/20/22/64/619202264.db2.gz CQQYPODWKRUDND-NWDGAFQWSA-N 1 1 281.421 3.117 20 10 CGCDMO CCC(CC)C[N@@H+](CC)Cc1cc2c(cc1O)OCO2 ZINC000108105858 619298154 /nfs/dbraw/zinc/29/81/54/619298154.db2.gz NAYFZUNGUPPCIL-UHFFFAOYSA-N 1 1 279.380 3.379 20 10 CGCDMO CC[N@@H+](Cc1ccccn1)Cc1cc(F)cc(F)c1[O-] ZINC000894019683 619350821 /nfs/dbraw/zinc/35/08/21/619350821.db2.gz ATPZGPXIMNUJJO-UHFFFAOYSA-N 1 1 278.302 3.088 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C(C)C)C2CCC2)c1O ZINC000894046961 619358787 /nfs/dbraw/zinc/35/87/87/619358787.db2.gz YNFQSWHQOQQVNP-UHFFFAOYSA-N 1 1 263.381 3.472 20 10 CGCDMO CC[N@H+](CCc1nccs1)Cc1cc(F)cc(F)c1O ZINC000894072551 619367454 /nfs/dbraw/zinc/36/74/54/619367454.db2.gz KQODJGRJMBCZKK-UHFFFAOYSA-N 1 1 298.358 3.192 20 10 CGCDMO CC[N@@H+](CCc1nccs1)Cc1cc(F)cc(F)c1O ZINC000894072551 619367456 /nfs/dbraw/zinc/36/74/56/619367456.db2.gz KQODJGRJMBCZKK-UHFFFAOYSA-N 1 1 298.358 3.192 20 10 CGCDMO CC[N@H+](Cc1cc(C)cc(C)c1O)C[C@@H]1CCCO1 ZINC000164200449 619535847 /nfs/dbraw/zinc/53/58/47/619535847.db2.gz OLSCNDJJPATIHB-HNNXBMFYSA-N 1 1 263.381 3.010 20 10 CGCDMO Cc1noc(C)c1C[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000046478225 619734726 /nfs/dbraw/zinc/73/47/26/619734726.db2.gz BLRBNXIEIKRPEG-UHFFFAOYSA-N 1 1 274.364 3.246 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@H](CF)C2)cc1 ZINC000895568707 619854087 /nfs/dbraw/zinc/85/40/87/619854087.db2.gz PTEDRNHSIIEFPK-JZIMQPMSSA-N 1 1 262.372 3.057 20 10 CGCDMO Oc1ccccc1C[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000896230836 619971063 /nfs/dbraw/zinc/97/10/63/619971063.db2.gz LMIWGYNSQXEMQF-AEFFLSMTSA-N 1 1 265.356 3.166 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)c1 ZINC000896233796 619972518 /nfs/dbraw/zinc/97/25/18/619972518.db2.gz WYTYUFPKLOBNFI-APWZRJJASA-N 1 1 295.382 3.174 20 10 CGCDMO COc1ccc(CNCCC[NH+]2CCC(C)CC2)cc1C ZINC000035052750 620265684 /nfs/dbraw/zinc/26/56/84/620265684.db2.gz DIHUEIPXSQLGQL-UHFFFAOYSA-N 1 1 290.451 3.215 20 10 CGCDMO Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2O)c1 ZINC000109771051 620322073 /nfs/dbraw/zinc/32/20/73/620322073.db2.gz CAESZNSACQHAAF-CQSZACIVSA-N 1 1 298.386 3.160 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)CCCCO)c1ccc(Cl)cc1O ZINC000841758788 620405689 /nfs/dbraw/zinc/40/56/89/620405689.db2.gz VGYLYXQBIRTONT-WDEREUQCSA-N 1 1 271.788 3.247 20 10 CGCDMO Cc1ncccc1CC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000898253825 620498080 /nfs/dbraw/zinc/49/80/80/620498080.db2.gz WBMJVVLIGZCTAS-UHFFFAOYSA-N 1 1 294.757 3.220 20 10 CGCDMO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000898222257 620498457 /nfs/dbraw/zinc/49/84/57/620498457.db2.gz DTRHWWGFYWDOND-NOZJJQNGSA-N 1 1 253.292 3.115 20 10 CGCDMO C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccc(F)cc1O ZINC000866499146 620536278 /nfs/dbraw/zinc/53/62/78/620536278.db2.gz FXMDVPLNCLBPIO-WQGWLQIFSA-N 1 1 263.234 3.133 20 10 CGCDMO COC[C@H](C[NH2+][C@@H](C)c1c(O)cccc1F)C(C)C ZINC000927096381 620574684 /nfs/dbraw/zinc/57/46/84/620574684.db2.gz WQKZYPDARCKOAG-RYUDHWBXSA-N 1 1 269.360 3.101 20 10 CGCDMO C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1ccc(F)cc1O ZINC000903265052 621649436 /nfs/dbraw/zinc/64/94/36/621649436.db2.gz OVDOLPAVCVYFBT-HUBLWGQQSA-N 1 1 281.371 3.123 20 10 CGCDMO C[C@H]([NH2+][C@@H](CCO)C1CCCC1)c1c(O)cccc1F ZINC000903298842 621666642 /nfs/dbraw/zinc/66/66/42/621666642.db2.gz YEXYAYKELQHVQO-FZMZJTMJSA-N 1 1 281.371 3.123 20 10 CGCDMO C[C@@H]([NH2+]CCOC1CCSCC1)c1ccc(F)cc1O ZINC000903446709 621758451 /nfs/dbraw/zinc/75/84/51/621758451.db2.gz RHNZJDNDHJAKEA-LLVKDONJSA-N 1 1 299.411 3.094 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+](C)Cc2cscn2)c1 ZINC000164204984 622819902 /nfs/dbraw/zinc/81/99/02/622819902.db2.gz IAKKNNWXFIVVLW-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+](C)Cc2cscn2)c1 ZINC000164204984 622819903 /nfs/dbraw/zinc/81/99/03/622819903.db2.gz IAKKNNWXFIVVLW-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(C)cc(C)c2O)C[C@H](C)O1 ZINC000164318137 622828177 /nfs/dbraw/zinc/82/81/77/622828177.db2.gz UEINJLHJZPKGHU-ZFWWWQNUSA-N 1 1 263.381 3.008 20 10 CGCDMO CC[N@@H+](C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000164371975 622830073 /nfs/dbraw/zinc/83/00/73/622830073.db2.gz UCOKKYYQQGXDCI-UHFFFAOYSA-N 1 1 251.370 3.150 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)c1 ZINC000168243355 622996905 /nfs/dbraw/zinc/99/69/05/622996905.db2.gz TZLUVMYZLJLWSK-AGIUHOORSA-N 1 1 263.381 3.267 20 10 CGCDMO CCC[N@@H+](CCOCC(F)(F)F)Cc1ccccc1O ZINC000170779142 623098711 /nfs/dbraw/zinc/09/87/11/623098711.db2.gz FIGJXRKQSFQYAG-UHFFFAOYSA-N 1 1 291.313 3.183 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)CCS1 ZINC000173508507 623329586 /nfs/dbraw/zinc/32/95/86/623329586.db2.gz ORENDPOANKDCDO-OAHLLOKOSA-N 1 1 277.433 3.208 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c(Cl)c1 ZINC000827506872 623464639 /nfs/dbraw/zinc/46/46/39/623464639.db2.gz NBQONQCNNFPDDQ-GHMZBOCLSA-N 1 1 251.757 3.196 20 10 CGCDMO CCC[C@@H]1C[N@@H+](Cc2cc(C)c(C)cc2O)CCO1 ZINC000152541506 623688367 /nfs/dbraw/zinc/68/83/67/623688367.db2.gz YNDMRSVXOWZHIU-OAHLLOKOSA-N 1 1 263.381 3.010 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@H]2CC(C)C)c1O ZINC000153453637 623891877 /nfs/dbraw/zinc/89/18/77/623891877.db2.gz AXHAHRJTVDKFPL-AWEZNQCLSA-N 1 1 263.381 3.411 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000754799336 623955977 /nfs/dbraw/zinc/95/59/77/623955977.db2.gz UDFFJHJCBIXCCV-INIZCTEOSA-N 1 1 289.419 3.258 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(C)nc1 ZINC000153689262 624022369 /nfs/dbraw/zinc/02/23/69/624022369.db2.gz MONODQIJCVDRKN-UHFFFAOYSA-N 1 1 283.419 3.478 20 10 CGCDMO CC(C)C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000179702981 624678104 /nfs/dbraw/zinc/67/81/04/624678104.db2.gz KFBXYHWAOHTOJY-UHFFFAOYSA-N 1 1 290.451 3.390 20 10 CGCDMO COc1ccc2c(c1)C[N@H+](Cc1cccc(C)c1O)CC2 ZINC000179861403 624693611 /nfs/dbraw/zinc/69/36/11/624693611.db2.gz DVDAOLWYTUSCTE-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO CSCC[C@H](C)[N@@H+](C)Cc1cc(F)ccc1O ZINC000180179869 624723873 /nfs/dbraw/zinc/72/38/73/624723873.db2.gz FTNYNLJYBIVORU-JTQLQIEISA-N 1 1 257.374 3.105 20 10 CGCDMO Cc1cccc(C[N@H+]2CCS[C@@H](C(C)C)C2)c1O ZINC000180668860 624766619 /nfs/dbraw/zinc/76/66/19/624766619.db2.gz OMAFBKRKPCRJEK-CQSZACIVSA-N 1 1 265.422 3.274 20 10 CGCDMO CC(=O)c1cc(F)cc(C[NH+](C(C)C)C(C)C)c1O ZINC000183035024 625044192 /nfs/dbraw/zinc/04/41/92/625044192.db2.gz YXRMNGLDUJIFIT-UHFFFAOYSA-N 1 1 267.344 3.353 20 10 CGCDMO Cc1cccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1O ZINC000183376096 625067974 /nfs/dbraw/zinc/06/79/74/625067974.db2.gz MPEDFOJLLKKLRR-UHFFFAOYSA-N 1 1 284.403 3.399 20 10 CGCDMO CC(C)c1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)on1 ZINC000921740384 625858235 /nfs/dbraw/zinc/85/82/35/625858235.db2.gz JILGPMWJKLDVJE-UHFFFAOYSA-N 1 1 286.375 3.413 20 10 CGCDMO C[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)CCS1 ZINC000922833531 626052572 /nfs/dbraw/zinc/05/25/72/626052572.db2.gz IYRAXVCJCVSURD-LDYMZIIASA-N 1 1 273.348 3.044 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(C(C)C)c(C)cc2O)CCO1 ZINC000074068104 626086717 /nfs/dbraw/zinc/08/67/17/626086717.db2.gz YIFSOWGROWQVDV-OAHLLOKOSA-N 1 1 277.408 3.435 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](CC2CC2)C(C)C)c1O ZINC000754726010 626584891 /nfs/dbraw/zinc/58/48/91/626584891.db2.gz KQIGEENPYGQQGF-UHFFFAOYSA-N 1 1 263.381 3.330 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1cc(F)cc(F)c1O ZINC000756355650 626694927 /nfs/dbraw/zinc/69/49/27/626694927.db2.gz QFIJFJGBLIUYOA-VHSXEESVSA-N 1 1 278.302 3.477 20 10 CGCDMO C[C@@H]([NH2+]CCOc1ccc(F)cc1)c1ccc(F)cc1O ZINC000756465645 626707573 /nfs/dbraw/zinc/70/75/73/626707573.db2.gz KGVHGYZXRPOXBL-LLVKDONJSA-N 1 1 293.313 3.400 20 10 CGCDMO CCn1nc(C)c(C[NH2+][C@@H](C)c2ccc(F)cc2O)c1C ZINC000756533552 626713269 /nfs/dbraw/zinc/71/32/69/626713269.db2.gz DWUMAVGOQKYLLA-JTQLQIEISA-N 1 1 291.370 3.215 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2(C)CCC2)c1 ZINC000756737760 626728539 /nfs/dbraw/zinc/72/85/39/626728539.db2.gz AYPNWGLBKONBRH-LLVKDONJSA-N 1 1 277.364 3.020 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCC2CC2)c1 ZINC000756734638 626728596 /nfs/dbraw/zinc/72/85/96/626728596.db2.gz ZFJONXSCGDLYGM-LLVKDONJSA-N 1 1 277.364 3.020 20 10 CGCDMO C[C@@H]([NH2+]CC1(CO)CCCCC1)c1cc(F)cc(F)c1O ZINC000756738379 626728668 /nfs/dbraw/zinc/72/86/68/626728668.db2.gz GPNAYEUFGOEFKR-LLVKDONJSA-N 1 1 299.361 3.264 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCC(F)(F)C2)c1 ZINC000756851255 626737989 /nfs/dbraw/zinc/73/79/89/626737989.db2.gz QXWHIPBREFWSOY-ONGXEEELSA-N 1 1 299.317 3.017 20 10 CGCDMO Oc1ccccc1C[N@@H+](CCN1CCCC1)C1CCCC1 ZINC000760840775 626995955 /nfs/dbraw/zinc/99/59/55/626995955.db2.gz OTRUHDMKXOSOBR-UHFFFAOYSA-N 1 1 288.435 3.233 20 10 CGCDMO CCCN(CCC)c1ccc(C[N@@H+](CCO)C2CC2)cc1 ZINC000768330022 627473620 /nfs/dbraw/zinc/47/36/20/627473620.db2.gz MEXSNWMSUSRTLS-UHFFFAOYSA-N 1 1 290.451 3.270 20 10 CGCDMO COc1cc(C[N@@H+](C)C2Cc3ccccc3C2)c(O)cc1C ZINC000768443214 627480356 /nfs/dbraw/zinc/48/03/56/627480356.db2.gz RLKIEGPYCZSXGZ-UHFFFAOYSA-N 1 1 297.398 3.308 20 10 CGCDMO Oc1ccc2c(c1)C[N@H+](Cc1c(O)cccc1Cl)CC2 ZINC000768869739 627504542 /nfs/dbraw/zinc/50/45/42/627504542.db2.gz XTVAGJMOWUDNTN-UHFFFAOYSA-N 1 1 289.762 3.310 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000769330937 627542471 /nfs/dbraw/zinc/54/24/71/627542471.db2.gz SCXMHNSAHQPLJH-CYBMUJFWSA-N 1 1 251.757 3.420 20 10 CGCDMO CCOc1ccc(C[N@@H+](CC)Cc2ccccn2)c(O)c1 ZINC000769402584 627548932 /nfs/dbraw/zinc/54/89/32/627548932.db2.gz MMTJCBCZVXFVGC-UHFFFAOYSA-N 1 1 286.375 3.208 20 10 CGCDMO C[C@H]1C[C@H](C)[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769470727 627557190 /nfs/dbraw/zinc/55/71/90/627557190.db2.gz OGOOKDCQRZUCNG-RYUDHWBXSA-N 1 1 250.361 3.122 20 10 CGCDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2c(O)cccc2OC)C1(C)C ZINC000769474123 627558131 /nfs/dbraw/zinc/55/81/31/627558131.db2.gz RTZIHBOSAKCTEC-JKSUJKDBSA-N 1 1 293.407 3.036 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000769509386 627561173 /nfs/dbraw/zinc/56/11/73/627561173.db2.gz XHDPSXMQJNXQSY-OAHLLOKOSA-N 1 1 287.334 3.487 20 10 CGCDMO CCSCC[C@H](C)[N@@H+](C)Cc1c(O)cccc1OC ZINC000769547762 627564443 /nfs/dbraw/zinc/56/44/43/627564443.db2.gz DGADPRUFCGSKDU-LBPRGKRZSA-N 1 1 283.437 3.364 20 10 CGCDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2cc(C)ccc2O)C1(C)C ZINC000769549496 627564948 /nfs/dbraw/zinc/56/49/48/627564948.db2.gz SBCFEANIFRFHCB-DOTOQJQBSA-N 1 1 277.408 3.336 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)cc1 ZINC000773756712 627911398 /nfs/dbraw/zinc/91/13/98/627911398.db2.gz YJCKPYYGJTXJMO-OKILXGFUSA-N 1 1 278.465 3.469 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)CCc2ccncc2)cc1 ZINC000773818982 627916745 /nfs/dbraw/zinc/91/67/45/627916745.db2.gz NBBGWFDKZGAMPW-UHFFFAOYSA-N 1 1 283.419 3.212 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCN(C)C1)c1cc(Cl)c(Cl)cc1O ZINC000774160741 627954024 /nfs/dbraw/zinc/95/40/24/627954024.db2.gz APFBDNADLXHAMH-RKDXNWHRSA-N 1 1 289.206 3.054 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)Cc2cc(C)ccc2F)c1 ZINC000775168120 628068626 /nfs/dbraw/zinc/06/86/26/628068626.db2.gz LVACSLSMXMGZMI-UHFFFAOYSA-N 1 1 289.350 3.480 20 10 CGCDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1cc(F)ccc1O ZINC000775206174 628072590 /nfs/dbraw/zinc/07/25/90/628072590.db2.gz VVYRNODGOWRTNB-INIZCTEOSA-N 1 1 281.371 3.312 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000775651314 628120544 /nfs/dbraw/zinc/12/05/44/628120544.db2.gz MKPUDNQETRORIZ-MRXNPFEDSA-N 1 1 284.359 3.133 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]2C2CCOCC2)cc1C ZINC000776768150 628231025 /nfs/dbraw/zinc/23/10/25/628231025.db2.gz CSCRVZAAECNXHX-KRWDZBQOSA-N 1 1 289.419 3.400 20 10 CGCDMO C[N@@H+](Cc1ccc(CF)cc1)Cc1ccccc1O ZINC000777613211 628288541 /nfs/dbraw/zinc/28/85/41/628288541.db2.gz KFBLTOFSZCZTMS-UHFFFAOYSA-N 1 1 259.324 3.494 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)c1 ZINC000777969485 628316935 /nfs/dbraw/zinc/31/69/35/628316935.db2.gz SUPPSCFTFTWVSR-FZMZJTMJSA-N 1 1 251.345 3.189 20 10 CGCDMO C[N@@H+](CCc1ccccc1F)Cc1cc(F)ccc1O ZINC000778999993 628382476 /nfs/dbraw/zinc/38/24/76/628382476.db2.gz RCFADPZENCHMQO-UHFFFAOYSA-N 1 1 277.314 3.345 20 10 CGCDMO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H]1F ZINC000779147675 628390359 /nfs/dbraw/zinc/39/03/59/628390359.db2.gz AYSOVHJRSGAGNU-FZMZJTMJSA-N 1 1 268.351 3.072 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H]1F ZINC000779147675 628390361 /nfs/dbraw/zinc/39/03/61/628390361.db2.gz AYSOVHJRSGAGNU-FZMZJTMJSA-N 1 1 268.351 3.072 20 10 CGCDMO CC[C@@H]1C[C@H](C[N@@H+](C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000780755463 628514587 /nfs/dbraw/zinc/51/45/87/628514587.db2.gz VJNIEXAUAFHHHX-SJLPKXTDSA-N 1 1 290.451 3.390 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)cc1 ZINC000780892974 628522527 /nfs/dbraw/zinc/52/25/27/628522527.db2.gz SKETXDZULFNSIS-NVXWUHKLSA-N 1 1 290.451 3.126 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2ccco2)c1 ZINC000781623336 628580905 /nfs/dbraw/zinc/58/09/05/628580905.db2.gz BUBURCSUWOGMRM-UHFFFAOYSA-N 1 1 296.164 3.346 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](CC[C@H]2CCOC2)C2CC2)cc1 ZINC000783527086 628722138 /nfs/dbraw/zinc/72/21/38/628722138.db2.gz LDOFRCOJWXICPI-INIZCTEOSA-N 1 1 288.435 3.144 20 10 CGCDMO CO[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)CC[C@H]1C ZINC000783969068 628760829 /nfs/dbraw/zinc/76/08/29/628760829.db2.gz RVHUGVLIFCMBBJ-ACJLOTCBSA-N 1 1 289.419 3.128 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(O)cc2)cc1 ZINC000785969902 628904925 /nfs/dbraw/zinc/90/49/25/628904925.db2.gz CXDIJWBGWNRNBC-UHFFFAOYSA-N 1 1 270.376 3.090 20 10 CGCDMO CC(C)[C@@H](O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788662902 629070791 /nfs/dbraw/zinc/07/07/91/629070791.db2.gz DZWGOENGLBYNND-SKDRFNHKSA-N 1 1 291.313 3.079 20 10 CGCDMO CCn1ccc(C[N@@H+](C)Cc2cc(C)cc(C)c2O)c1 ZINC000790452104 629211682 /nfs/dbraw/zinc/21/16/82/629211682.db2.gz SPEABRCGVQHQFC-UHFFFAOYSA-N 1 1 272.392 3.462 20 10 CGCDMO C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790976846 629245529 /nfs/dbraw/zinc/24/55/29/629245529.db2.gz MYAOVKWAADHXFR-UWVGGRQHSA-N 1 1 287.762 3.089 20 10 CGCDMO COCC[N@@H+](Cc1cc(OC)ccc1O)[C@@H]1CC[C@H](C)C1 ZINC000792192381 629346764 /nfs/dbraw/zinc/34/67/64/629346764.db2.gz JITBDRNZXVXHFD-DZGCQCFKSA-N 1 1 293.407 3.038 20 10 CGCDMO C[C@@H]1CCSCC[N@H+]1Cc1c(O)cccc1Cl ZINC000792195087 629347957 /nfs/dbraw/zinc/34/79/57/629347957.db2.gz CHKNFJKHHMEPBY-SNVBAGLBSA-N 1 1 271.813 3.373 20 10 CGCDMO CCC(F)(F)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000862489253 629389091 /nfs/dbraw/zinc/38/90/91/629389091.db2.gz FYXNTKJARFXVTO-UHFFFAOYSA-N 1 1 263.715 3.489 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)c1 ZINC000862541662 629396905 /nfs/dbraw/zinc/39/69/05/629396905.db2.gz ZDWMRKCEUPBDNV-HNNXBMFYSA-N 1 1 283.371 3.396 20 10 CGCDMO Cc1ccc(O)c([C@H](C)[NH2+]CCc2ccc3cn[nH]c3c2)c1 ZINC000793569970 629485949 /nfs/dbraw/zinc/48/59/49/629485949.db2.gz OJAGNMFYPRYGEZ-ZDUSSCGKSA-N 1 1 295.386 3.470 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CC=C(c3ccnn3C)CC2)c1 ZINC000795655887 629706447 /nfs/dbraw/zinc/70/64/47/629706447.db2.gz MALINECFCTYHCU-UHFFFAOYSA-N 1 1 297.402 3.032 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H](O)CCC(C)C ZINC000796444707 629782107 /nfs/dbraw/zinc/78/21/07/629782107.db2.gz HYKBBWXCDMNABJ-INIZCTEOSA-N 1 1 279.424 3.401 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CCCCN1CC)c1ccc(F)cc1O ZINC000796764548 629829341 /nfs/dbraw/zinc/82/93/41/629829341.db2.gz VEMPKUJNUIMXLB-HOCLYGCPSA-N 1 1 294.414 3.446 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cccc(F)n1)c1ccc(F)cc1O ZINC000796837680 629845327 /nfs/dbraw/zinc/84/53/27/629845327.db2.gz RAROQRWZTDEEDJ-CYBMUJFWSA-N 1 1 278.302 3.306 20 10 CGCDMO CC[C@@H]([NH2+]CC1(OC)CCC1)c1ccc(F)cc1O ZINC000796930785 629859768 /nfs/dbraw/zinc/85/97/68/629859768.db2.gz JBQVLEQUSJYBDT-CYBMUJFWSA-N 1 1 267.344 3.141 20 10 CGCDMO CC1=C[C@H](C)C[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000797416868 629944528 /nfs/dbraw/zinc/94/45/28/629944528.db2.gz LBPBAXKCEINHJZ-LBPRGKRZSA-N 1 1 268.360 3.338 20 10 CGCDMO CCc1nc(N[C@H](C)c2cc(OC)ccc2O)cc(C)[nH+]1 ZINC000804430857 630526806 /nfs/dbraw/zinc/52/68/06/630526806.db2.gz GFLIFOKCTUMJDN-LLVKDONJSA-N 1 1 287.363 3.235 20 10 CGCDMO Cc1nnc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)s1 ZINC000808712075 630668975 /nfs/dbraw/zinc/66/89/75/630668975.db2.gz AOSHPCLZAFQGNA-QMMMGPOBSA-N 1 1 297.811 3.365 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CC[C@H](C3CCC3)C2)c1O ZINC000840188342 630815511 /nfs/dbraw/zinc/81/55/11/630815511.db2.gz IKZABADFWBJZJZ-AWEZNQCLSA-N 1 1 275.392 3.331 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)CN(C)C(C)C)c1ccc(F)cc1O ZINC000810253733 630859882 /nfs/dbraw/zinc/85/98/82/630859882.db2.gz BNCOQLRDHZMPNN-DOMZBBRYSA-N 1 1 282.403 3.301 20 10 CGCDMO CC[N@@H+](Cc1cc(C(C)C)c(C)cc1O)[C@H]1CCOC1 ZINC000812296095 631236478 /nfs/dbraw/zinc/23/64/78/631236478.db2.gz MYYXXWZLIAKHPJ-HNNXBMFYSA-N 1 1 277.408 3.435 20 10 CGCDMO CO[C@@](C)(C[NH2+][C@H](C)c1cc(F)cc(F)c1O)C1CC1 ZINC000812734699 631299341 /nfs/dbraw/zinc/29/93/41/631299341.db2.gz QZDMQFBZYXTOIK-PSLIRLAXSA-N 1 1 285.334 3.136 20 10 CGCDMO CCC(CC)(C[NH2+]Cc1c(O)ccc(Cl)c1F)OC ZINC000813793258 631461958 /nfs/dbraw/zinc/46/19/58/631461958.db2.gz MTASTRPBUYKJQO-UHFFFAOYSA-N 1 1 289.778 3.480 20 10 CGCDMO Cc1cc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)ccc1N(C)C ZINC000815050642 631707455 /nfs/dbraw/zinc/70/74/55/631707455.db2.gz DKDKCNBTPMEGIM-KGLIPLIRSA-N 1 1 278.465 3.387 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCCCC[C@@H]2CCO)cc1 ZINC000815113506 631719920 /nfs/dbraw/zinc/71/99/20/631719920.db2.gz DFQVLULNDXERDL-GOSISDBHSA-N 1 1 290.451 3.270 20 10 CGCDMO C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cc[nH]c(=O)c1 ZINC000815147882 631730535 /nfs/dbraw/zinc/73/05/35/631730535.db2.gz HLEOGFHXHZESSJ-QMMMGPOBSA-N 1 1 296.729 3.136 20 10 CGCDMO CCC[N@@H+](Cc1conc1CC)Cc1ccccc1O ZINC000816499043 631994255 /nfs/dbraw/zinc/99/42/55/631994255.db2.gz CBSHRIILUNOOIJ-UHFFFAOYSA-N 1 1 274.364 3.355 20 10 CGCDMO C[N@H+](Cc1ccc2ccccc2c1O)C[C@H]1CCCOC1 ZINC000816505133 631995540 /nfs/dbraw/zinc/99/55/40/631995540.db2.gz NUSUVYUTLDGMLG-CQSZACIVSA-N 1 1 285.387 3.404 20 10 CGCDMO CO[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)CC[C@@H]1C ZINC000816586391 632017155 /nfs/dbraw/zinc/01/71/55/632017155.db2.gz GSKJYKONPLQZGD-LKFCYVNXSA-N 1 1 287.762 3.042 20 10 CGCDMO CO[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)CC[C@@H]1C ZINC000816586391 632017161 /nfs/dbraw/zinc/01/71/61/632017161.db2.gz GSKJYKONPLQZGD-LKFCYVNXSA-N 1 1 287.762 3.042 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](C3CCCC3)C1)OCO2 ZINC000817369108 632133211 /nfs/dbraw/zinc/13/32/11/632133211.db2.gz RLQWWOWAQPOLGF-CYBMUJFWSA-N 1 1 289.375 3.133 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]C2CCC([NH+](C)C)CC2)c(Cl)c1 ZINC000817413947 632143385 /nfs/dbraw/zinc/14/33/85/632143385.db2.gz NELCIOUQEQYAHA-UHFFFAOYSA-N 1 1 296.842 3.316 20 10 CGCDMO CC[C@H]1C[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000817415660 632146850 /nfs/dbraw/zinc/14/68/50/632146850.db2.gz WIBITRNOMNFKPP-UWVGGRQHSA-N 1 1 287.762 3.232 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccc(Cl)c1[O-] ZINC000817950749 632246644 /nfs/dbraw/zinc/24/66/44/632246644.db2.gz YOHOHSJNAUWSER-BXUZGUMPSA-N 1 1 282.815 3.228 20 10 CGCDMO CCC([NH3+])(CC)CN[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000817961038 632257957 /nfs/dbraw/zinc/25/79/57/632257957.db2.gz WMBRADRZANJPAH-JQWIXIFHSA-N 1 1 280.387 3.187 20 10 CGCDMO CC[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000817968449 632262008 /nfs/dbraw/zinc/26/20/08/632262008.db2.gz UPAWXOFITFIBQY-AWEZNQCLSA-N 1 1 280.799 3.006 20 10 CGCDMO C[C@H](N)[C@H](C)[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000817977134 632268506 /nfs/dbraw/zinc/26/85/06/632268506.db2.gz CEKJELUENLAWHA-MPGHIAIKSA-N 1 1 298.430 3.391 20 10 CGCDMO CC[C@H](N)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000817978504 632270526 /nfs/dbraw/zinc/27/05/26/632270526.db2.gz BWFVRDMDMPEVTC-WMZOPIPTSA-N 1 1 298.430 3.393 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cc(Cl)ccc1[O-] ZINC000817980446 632271873 /nfs/dbraw/zinc/27/18/73/632271873.db2.gz BBJAQCMMBLIRCU-SUHUHFCYSA-N 1 1 282.815 3.214 20 10 CGCDMO Cc1ccc(O)c(C[NH2+]CCCN(C)Cc2ccccc2)c1 ZINC000103854858 632744795 /nfs/dbraw/zinc/74/47/95/632744795.db2.gz UCIGNRUSFOBENA-UHFFFAOYSA-N 1 1 298.430 3.312 20 10 CGCDMO CCC[C@H](CCO)[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000866415496 633128053 /nfs/dbraw/zinc/12/80/53/633128053.db2.gz WOWXMMPLHSDAAF-OCCSQVGLSA-N 1 1 269.360 3.123 20 10 CGCDMO C[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1ccc(F)cc1O ZINC000866512655 633169036 /nfs/dbraw/zinc/16/90/36/633169036.db2.gz NNARIOKURKFHSW-PPHDSNJXSA-N 1 1 293.382 3.387 20 10 CGCDMO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000866634678 633223248 /nfs/dbraw/zinc/22/32/48/633223248.db2.gz SQVLIAIMCPVRQW-JFGNBEQYSA-N 1 1 271.788 3.246 20 10 CGCDMO COC[C@@]1(C)CC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000824582593 633261965 /nfs/dbraw/zinc/26/19/65/633261965.db2.gz AUGSQHXBLOOQRA-HNNXBMFYSA-N 1 1 283.799 3.212 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)[C@@H]2CCN(C3CC3)C2)cc1Cl ZINC000824713860 633278250 /nfs/dbraw/zinc/27/82/50/633278250.db2.gz LEIQBRTZRSYFMN-CQSZACIVSA-N 1 1 294.826 3.023 20 10 CGCDMO Cc1cc(O)c(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000824713860 633278252 /nfs/dbraw/zinc/27/82/52/633278252.db2.gz LEIQBRTZRSYFMN-CQSZACIVSA-N 1 1 294.826 3.023 20 10 CGCDMO Cc1cc(O)c(CN(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000824713860 633278256 /nfs/dbraw/zinc/27/82/56/633278256.db2.gz LEIQBRTZRSYFMN-CQSZACIVSA-N 1 1 294.826 3.023 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCSC[C@@H]2C2CC2)cc1 ZINC000824913913 633304525 /nfs/dbraw/zinc/30/45/25/633304525.db2.gz IQYWPHWDWJXSPS-MRXNPFEDSA-N 1 1 276.449 3.080 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000824941367 633308732 /nfs/dbraw/zinc/30/87/32/633308732.db2.gz MUOHXZRTSRWNRA-RDJZCZTQSA-N 1 1 257.377 3.321 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c1 ZINC000824940718 633308815 /nfs/dbraw/zinc/30/88/15/633308815.db2.gz BEODOEQLPFUDNI-FUHWJXTLSA-N 1 1 287.403 3.411 20 10 CGCDMO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000825290448 633342623 /nfs/dbraw/zinc/34/26/23/633342623.db2.gz YURNSQKEUHDCNQ-DGCLKSJQSA-N 1 1 287.762 3.232 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2cccnc2)cc1Cl ZINC000825446216 633354977 /nfs/dbraw/zinc/35/49/77/633354977.db2.gz HZTPENZJMPVLBI-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO Cc1cc(O)c(CN[C@H](C)C[N@@H+](C)C(C)C)cc1Cl ZINC000825948871 633391968 /nfs/dbraw/zinc/39/19/68/633391968.db2.gz LTHMLSYLRSAMCN-GFCCVEGCSA-N 1 1 284.831 3.172 20 10 CGCDMO Cc1cc(O)c(CN[C@H](C)C[N@H+](C)C(C)C)cc1Cl ZINC000825948871 633391973 /nfs/dbraw/zinc/39/19/73/633391973.db2.gz LTHMLSYLRSAMCN-GFCCVEGCSA-N 1 1 284.831 3.172 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]2C2CC2)cc1Cl ZINC000826043699 633400532 /nfs/dbraw/zinc/40/05/32/633400532.db2.gz ORJHGMHJRBIEJX-ZDUSSCGKSA-N 1 1 251.757 3.338 20 10 CGCDMO Cc1ccc2c(c1)C[N@H+](Cc1ccccc1O)CC2 ZINC000826911324 633443315 /nfs/dbraw/zinc/44/33/15/633443315.db2.gz WKPUGUJJWFKTDQ-UHFFFAOYSA-N 1 1 253.345 3.259 20 10 CGCDMO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1c(O)ccc(Cl)c1F)C2 ZINC000827017654 633448694 /nfs/dbraw/zinc/44/86/94/633448694.db2.gz HNMAEUGHTMKWGB-GASCZTMLSA-N 1 1 299.773 3.043 20 10 CGCDMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1c(O)ccc(Cl)c1F)C2 ZINC000827017654 633448698 /nfs/dbraw/zinc/44/86/98/633448698.db2.gz HNMAEUGHTMKWGB-GASCZTMLSA-N 1 1 299.773 3.043 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000827640350 633506021 /nfs/dbraw/zinc/50/60/21/633506021.db2.gz VUGBZWWMYIIWFV-QGZVFWFLSA-N 1 1 283.371 3.354 20 10 CGCDMO CC(C)(C)C(F)(F)C[NH2+]Cc1cc(F)ccc1O ZINC000827722522 633512374 /nfs/dbraw/zinc/51/23/74/633512374.db2.gz LNAKCPVPINZTFC-UHFFFAOYSA-N 1 1 261.287 3.302 20 10 CGCDMO Cc1cc(C[N@H+](C)CC[C@@H](C)O)ccc1N1CCCCC1 ZINC000827893829 633531010 /nfs/dbraw/zinc/53/10/10/633531010.db2.gz IVAYFRQUPZPGJQ-MRXNPFEDSA-N 1 1 290.451 3.188 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000829523239 633747388 /nfs/dbraw/zinc/74/73/88/633747388.db2.gz URHYDKUXUOPQST-QGZVFWFLSA-N 1 1 281.403 3.137 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)Cc2ccc(C)cn2)cc1 ZINC000831059080 633914828 /nfs/dbraw/zinc/91/48/28/633914828.db2.gz QQFAKEDDHPVQFY-UHFFFAOYSA-N 1 1 283.419 3.478 20 10 CGCDMO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000872133839 634056020 /nfs/dbraw/zinc/05/60/20/634056020.db2.gz PCKIEXIEYZHDHO-ONGXEEELSA-N 1 1 275.327 3.042 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872261909 634092749 /nfs/dbraw/zinc/09/27/49/634092749.db2.gz KBQDSUOAINLNLO-MRXNPFEDSA-N 1 1 293.382 3.455 20 10 CGCDMO CCOc1ccc(O)c(C[NH2+]Cc2ncc(Cl)s2)c1 ZINC000873164865 634267903 /nfs/dbraw/zinc/26/79/03/634267903.db2.gz FVKMRWZFVUCTJN-UHFFFAOYSA-N 1 1 298.795 3.191 20 10 CGCDMO CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)cc1[O-] ZINC000834909566 634284077 /nfs/dbraw/zinc/28/40/77/634284077.db2.gz SKLTZUCMLHDFPP-INIZCTEOSA-N 1 1 294.414 3.446 20 10 CGCDMO CC[C@H](C)[N@H+](C)CCNC/C=C\c1ccc(N(C)C)cc1 ZINC000835035404 634327566 /nfs/dbraw/zinc/32/75/66/634327566.db2.gz CPEJJZNJUWQKFQ-PTZVLDCSSA-N 1 1 289.467 3.086 20 10 CGCDMO CC[C@H](C)[N@@H+](C)CCNC/C=C\c1ccc(N(C)C)cc1 ZINC000835035404 634327570 /nfs/dbraw/zinc/32/75/70/634327570.db2.gz CPEJJZNJUWQKFQ-PTZVLDCSSA-N 1 1 289.467 3.086 20 10 CGCDMO COC(=O)c1ccc(C[N@@H+](C)Cc2c(C)cccc2O)cc1 ZINC000876612537 634867897 /nfs/dbraw/zinc/86/78/97/634867897.db2.gz OYVGZQJIRQDMTQ-UHFFFAOYSA-N 1 1 299.370 3.119 20 10 CGCDMO COC(=O)c1ccc2c(c1)C[N@H+](Cc1c(C)cccc1O)C2 ZINC000876715462 634885174 /nfs/dbraw/zinc/88/51/74/634885174.db2.gz MHDBULKZWBPOBB-UHFFFAOYSA-N 1 1 297.354 3.003 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c(O)c1 ZINC000877480094 635053727 /nfs/dbraw/zinc/05/37/27/635053727.db2.gz ZZDCJVKMSWUDAJ-NSHDSACASA-N 1 1 273.298 3.475 20 10 CGCDMO C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc(F)cc(F)c1[O-] ZINC000840809273 635055891 /nfs/dbraw/zinc/05/58/91/635055891.db2.gz HVYTWPCZWBPYEA-NWDGAFQWSA-N 1 1 298.377 3.053 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+](C)CCCOC(C)C ZINC000840917145 635082452 /nfs/dbraw/zinc/08/24/52/635082452.db2.gz HHOOBWJRANBAEQ-UHFFFAOYSA-N 1 1 278.440 3.308 20 10 CGCDMO CC[N@@H+](Cc1ccncc1)Cc1ccc(N(C)C)cc1C ZINC000840946122 635089390 /nfs/dbraw/zinc/08/93/90/635089390.db2.gz ITWYKXQZJHJAQX-UHFFFAOYSA-N 1 1 283.419 3.478 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000840950891 635091061 /nfs/dbraw/zinc/09/10/61/635091061.db2.gz QFRPGYNRJQJHQD-GOSISDBHSA-N 1 1 288.435 3.064 20 10 CGCDMO CC[N@H+](Cc1c(O)cc(C)cc1Cl)C[C@H](C)OC ZINC000840948637 635091512 /nfs/dbraw/zinc/09/15/12/635091512.db2.gz VTYKEBZNENAIAG-NSHDSACASA-N 1 1 271.788 3.211 20 10 CGCDMO COC1([C@@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)CCC1 ZINC000840970881 635097058 /nfs/dbraw/zinc/09/70/58/635097058.db2.gz ZCJOHDJAGZBDOA-SECBINFHSA-N 1 1 287.762 3.232 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000877633623 635123765 /nfs/dbraw/zinc/12/37/65/635123765.db2.gz OAZJOGPMKWZVIQ-QAPCUYQASA-N 1 1 289.419 3.482 20 10 CGCDMO Oc1ccccc1C[N@@H+]1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC000877673795 635141410 /nfs/dbraw/zinc/14/14/10/635141410.db2.gz RMDGFCSRZMCDRX-DLBZAZTESA-N 1 1 283.371 3.090 20 10 CGCDMO C[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc(Cl)cc1O ZINC000841748336 635223821 /nfs/dbraw/zinc/22/38/21/635223821.db2.gz KSXRHXDYPPIVFJ-JTQLQIEISA-N 1 1 298.814 3.001 20 10 CGCDMO CO[C@@H](C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841747919 635224042 /nfs/dbraw/zinc/22/40/42/635224042.db2.gz UWWKUTZTHZLUJE-UWVGGRQHSA-N 1 1 257.761 3.121 20 10 CGCDMO C[C@H](CCO)CC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841755566 635229593 /nfs/dbraw/zinc/22/95/93/635229593.db2.gz JHRAPQRTCKCWRW-QWRGUYRKSA-N 1 1 271.788 3.105 20 10 CGCDMO CO[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)CC(C)C ZINC000841755614 635230028 /nfs/dbraw/zinc/23/00/28/635230028.db2.gz KJLUZBBLHHKSHV-AAEUAGOBSA-N 1 1 269.360 3.243 20 10 CGCDMO C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1[O-] ZINC000841758612 635231466 /nfs/dbraw/zinc/23/14/66/635231466.db2.gz UAEYIYPBZSNBLW-CHWSQXEVSA-N 1 1 296.842 3.428 20 10 CGCDMO CCc1nnc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)s1 ZINC000841758330 635232144 /nfs/dbraw/zinc/23/21/44/635232144.db2.gz SHIBIHYECCABLD-MRVPVSSYSA-N 1 1 297.811 3.310 20 10 CGCDMO CCCC[N@@H+](Cc1cncn1CC)Cc1ccccc1O ZINC000841884644 635246470 /nfs/dbraw/zinc/24/64/70/635246470.db2.gz OMDXKRMZMGXLSC-UHFFFAOYSA-N 1 1 287.407 3.411 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H](CC)OC ZINC000842160140 635300415 /nfs/dbraw/zinc/30/04/15/635300415.db2.gz VBZVDVLCVICJFA-OAHLLOKOSA-N 1 1 265.397 3.419 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)c1 ZINC000842637787 635426713 /nfs/dbraw/zinc/42/67/13/635426713.db2.gz RJFYUXOPEBJPNP-OAHLLOKOSA-N 1 1 289.419 3.400 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1ccc(F)cc1O ZINC000842930278 635515006 /nfs/dbraw/zinc/51/50/06/635515006.db2.gz TVZKOAKKOPGULP-TVYUQYBPSA-N 1 1 269.385 3.466 20 10 CGCDMO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1c(O)ccc(Cl)c1F ZINC000843053461 635551829 /nfs/dbraw/zinc/55/18/29/635551829.db2.gz NSYBRFZXSVMCBL-FGWVZKOKSA-N 1 1 298.789 3.029 20 10 CGCDMO COc1ccc([N@@H+](CC2CC2)C[C@H]2C[C@@H](OC)C2)cc1 ZINC000878674584 635601104 /nfs/dbraw/zinc/60/11/04/635601104.db2.gz CEXFPBVQUUCOQO-KDYLLFBJSA-N 1 1 275.392 3.337 20 10 CGCDMO COc1ccc([N@H+](CC2CC2)C[C@H]2C[C@@H](OC)C2)cc1 ZINC000878674584 635601107 /nfs/dbraw/zinc/60/11/07/635601107.db2.gz CEXFPBVQUUCOQO-KDYLLFBJSA-N 1 1 275.392 3.337 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c1O ZINC000843416008 635663570 /nfs/dbraw/zinc/66/35/70/635663570.db2.gz FZHAFJWBEAWIGZ-HOTGVXAUSA-N 1 1 275.392 3.092 20 10 CGCDMO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000844721202 635956623 /nfs/dbraw/zinc/95/66/23/635956623.db2.gz DPTOTXNIUBRFHH-AWEZNQCLSA-N 1 1 293.407 3.099 20 10 CGCDMO Oc1ccc2ccncc2c1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844755107 635959386 /nfs/dbraw/zinc/95/93/86/635959386.db2.gz ACADVBRIVMHBRP-HNNXBMFYSA-N 1 1 290.313 3.172 20 10 CGCDMO CC(C)C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000129617428 636322625 /nfs/dbraw/zinc/32/26/25/636322625.db2.gz SJRKOPWOYNJNDC-ZDUSSCGKSA-N 1 1 277.364 3.131 20 10 CGCDMO CCC[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000213669652 636481638 /nfs/dbraw/zinc/48/16/38/636481638.db2.gz OFIKTRJCSBREEC-CYBMUJFWSA-N 1 1 277.364 3.276 20 10 CGCDMO CC(C)n1cc([C@H](C)[NH2+]Cc2cc(F)cc(F)c2O)cn1 ZINC000882994285 636496307 /nfs/dbraw/zinc/49/63/07/636496307.db2.gz YYPHQUUHTYMIFR-JTQLQIEISA-N 1 1 295.333 3.299 20 10 CGCDMO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)CCO1 ZINC000883078717 636531566 /nfs/dbraw/zinc/53/15/66/636531566.db2.gz AVFFDNUOOWGJAL-GXTWGEPZSA-N 1 1 299.361 3.354 20 10 CGCDMO Cc1ccc(C(C)(C)[NH2+]Cc2cc(F)cc(F)c2O)cn1 ZINC000883087844 636537282 /nfs/dbraw/zinc/53/72/82/636537282.db2.gz KPIWAVTVBSXNBD-UHFFFAOYSA-N 1 1 292.329 3.399 20 10 CGCDMO Cc1cccc(CCC[NH2+]Cc2cc(F)cc(F)c2O)n1 ZINC000883117113 636545434 /nfs/dbraw/zinc/54/54/34/636545434.db2.gz QUYUTABPLFWWBF-UHFFFAOYSA-N 1 1 292.329 3.096 20 10 CGCDMO CC(C)(C[NH2+]Cc1cc(F)cc(F)c1O)c1cccnc1 ZINC000883146237 636554709 /nfs/dbraw/zinc/55/47/09/636554709.db2.gz FZMHWGLHFYXNNH-UHFFFAOYSA-N 1 1 292.329 3.133 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000883147264 636556253 /nfs/dbraw/zinc/55/62/53/636556253.db2.gz QDGNXZKZTKMDIT-NSHDSACASA-N 1 1 299.386 3.293 20 10 CGCDMO Cc1ccc(O)c([C@@H](C)[NH2+]C2(c3ncccn3)CCC2)c1 ZINC000883312303 636661873 /nfs/dbraw/zinc/66/18/73/636661873.db2.gz ZKYDYPOUYQZQQN-CYBMUJFWSA-N 1 1 283.375 3.221 20 10 CGCDMO CCc1cccc(C[N@H+]2CCc3ccc(O)cc3CC2)c1O ZINC000848883198 636672291 /nfs/dbraw/zinc/67/22/91/636672291.db2.gz KQLAYAGVSPAYEO-UHFFFAOYSA-N 1 1 297.398 3.261 20 10 CGCDMO CCc1cccc(C[N@H+]2CCS[C@H](C)[C@H]2C)c1O ZINC000848887299 636675096 /nfs/dbraw/zinc/67/50/96/636675096.db2.gz SFWKBQDLQJZGLK-VXGBXAGGSA-N 1 1 265.422 3.280 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c1O ZINC000848908935 636685198 /nfs/dbraw/zinc/68/51/98/636685198.db2.gz GFHQALVHTQKXIO-HZPDHXFCSA-N 1 1 275.392 3.098 20 10 CGCDMO CCC[N@@H+](Cc1ccc(OCC)cc1O)C(C)C ZINC000848924024 636696198 /nfs/dbraw/zinc/69/61/98/636696198.db2.gz UYLYURVDCPHFMJ-UHFFFAOYSA-N 1 1 251.370 3.411 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CC1=CCCC1 ZINC000850396365 637048032 /nfs/dbraw/zinc/04/80/32/637048032.db2.gz UTVSNULBSGGDKY-UHFFFAOYSA-N 1 1 255.720 3.385 20 10 CGCDMO CC[C@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(F)cc1O ZINC000850482627 637085534 /nfs/dbraw/zinc/08/55/34/637085534.db2.gz QFKOEFGGSNHSLN-YPMHNXCESA-N 1 1 267.344 3.140 20 10 CGCDMO CC[C@H](COCC1CC1)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000850494581 637090211 /nfs/dbraw/zinc/09/02/11/637090211.db2.gz QMDGWOUYWQXGLL-SMDDNHRTSA-N 1 1 281.371 3.387 20 10 CGCDMO C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1ccc(F)cc1O ZINC000850526062 637105641 /nfs/dbraw/zinc/10/56/41/637105641.db2.gz AAAOBMUNSCPRGZ-UDTVLSCZSA-N 1 1 287.334 3.360 20 10 CGCDMO C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccccc1 ZINC000850583228 637133101 /nfs/dbraw/zinc/13/31/01/637133101.db2.gz JQCQDAARIGMSLZ-XWCIJXRUSA-N 1 1 289.350 3.304 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCS[C@H](C)[C@H]2C)c1O ZINC000135834701 637190612 /nfs/dbraw/zinc/19/06/12/637190612.db2.gz NVWHNTOZZWVDEJ-MWLCHTKSSA-N 1 1 297.395 3.060 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCS[C@H](C)[C@H]2C)c1O ZINC000135834701 637190613 /nfs/dbraw/zinc/19/06/13/637190613.db2.gz NVWHNTOZZWVDEJ-MWLCHTKSSA-N 1 1 297.395 3.060 20 10 CGCDMO C[C@@H]([NH2+]CCc1ccccc1O)c1c(O)cccc1F ZINC000886521365 637550697 /nfs/dbraw/zinc/55/06/97/637550697.db2.gz ZKERKCPTVYPZRR-LLVKDONJSA-N 1 1 275.323 3.130 20 10 CGCDMO Cc1ccc(CC[NH2+][C@H](C)c2c(O)cccc2F)cn1 ZINC000886526724 637552909 /nfs/dbraw/zinc/55/29/09/637552909.db2.gz RGWWSEYOFYBHMG-GFCCVEGCSA-N 1 1 274.339 3.128 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@H]1COC(C)(C)O1 ZINC000852018146 637573661 /nfs/dbraw/zinc/57/36/61/637573661.db2.gz KNIYFXPCPCAYDJ-HNNXBMFYSA-N 1 1 293.407 3.146 20 10 CGCDMO C[C@H]([NH2+]CC1(CO)CCCCC1)c1c(O)cccc1F ZINC000886550123 637576041 /nfs/dbraw/zinc/57/60/41/637576041.db2.gz SMHQWHZIRYHQMK-LBPRGKRZSA-N 1 1 281.371 3.125 20 10 CGCDMO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886554838 637578418 /nfs/dbraw/zinc/57/84/18/637578418.db2.gz DPBPKTIWMNMBHL-IAQYHMDHSA-N 1 1 283.387 3.225 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1c(O)cccc1F ZINC000886576998 637588406 /nfs/dbraw/zinc/58/84/06/637588406.db2.gz UZYVHVVAJIIXEM-DTWKUNHWSA-N 1 1 259.271 3.370 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCCCS1)c1c(O)cccc1F ZINC000886587561 637593856 /nfs/dbraw/zinc/59/38/56/637593856.db2.gz BCFCSHPTYSRRPO-QWRGUYRKSA-N 1 1 269.385 3.468 20 10 CGCDMO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886607413 637601808 /nfs/dbraw/zinc/60/18/08/637601808.db2.gz RBLQNKYBUAZDOJ-JKOKRWQUSA-N 1 1 267.344 3.140 20 10 CGCDMO Cc1cc(C[NH2+][C@@H](C)c2c(O)cccc2F)ccn1 ZINC000886617544 637608912 /nfs/dbraw/zinc/60/89/12/637608912.db2.gz RDRPTBPPJZHHOY-NSHDSACASA-N 1 1 260.312 3.086 20 10 CGCDMO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1c(O)cccc1F ZINC000886621998 637612925 /nfs/dbraw/zinc/61/29/25/637612925.db2.gz HVDQPUOTWXDBHK-MPKXVKKWSA-N 1 1 267.344 3.140 20 10 CGCDMO CO[C@@](C)([C@@H](C)[NH2+][C@H](C)c1c(O)cccc1F)C1CC1 ZINC000886625622 637616274 /nfs/dbraw/zinc/61/62/74/637616274.db2.gz WAUAGUGRDJCGSQ-UVWXRNBGSA-N 1 1 281.371 3.386 20 10 CGCDMO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2c(O)cccc2F)CCO1 ZINC000886628299 637617438 /nfs/dbraw/zinc/61/74/38/637617438.db2.gz MAVQIRJSRKVSJV-SDDRHHMPSA-N 1 1 267.344 3.140 20 10 CGCDMO C[C@@H](C[NH2+][C@@H](C)c1c(O)cccc1F)CC(F)F ZINC000886629654 637617584 /nfs/dbraw/zinc/61/75/84/637617584.db2.gz KSZUAROZKUJAMH-BDAKNGLRSA-N 1 1 261.287 3.473 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)cc1 ZINC000852459370 637653964 /nfs/dbraw/zinc/65/39/64/637653964.db2.gz BYTSMDRYONQXEV-HDICACEKSA-N 1 1 288.435 3.001 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000886818905 637706226 /nfs/dbraw/zinc/70/62/26/637706226.db2.gz LOWQOXSNNZNVHJ-AEFFLSMTSA-N 1 1 288.435 3.144 20 10 CGCDMO COCC[N@@H+](CCF)Cc1cc(C(C)C)c(C)cc1O ZINC000853548463 637866781 /nfs/dbraw/zinc/86/67/81/637866781.db2.gz CYBHDQSSFZPAFQ-UHFFFAOYSA-N 1 1 283.387 3.242 20 10 CGCDMO C[C@]12COC[C@H]1C[N@@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000853565975 637867646 /nfs/dbraw/zinc/86/76/46/637867646.db2.gz LGJMPWCOBGGRNS-KDOFPFPSSA-N 1 1 283.371 3.014 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)CC2=CCSC2)cc1C ZINC000853618412 637874300 /nfs/dbraw/zinc/87/43/00/637874300.db2.gz DEHRWHHJZJHMIF-UHFFFAOYSA-N 1 1 263.406 3.114 20 10 CGCDMO C[C@H](NCc1cc(N)cc[nH+]1)c1cc2c(cc1O)CCCC2 ZINC000925769112 638604696 /nfs/dbraw/zinc/60/46/96/638604696.db2.gz YIMLAMBTIAZICZ-LBPRGKRZSA-N 1 1 297.402 3.099 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(Cl)ccc1[O-] ZINC000925882520 638642633 /nfs/dbraw/zinc/64/26/33/638642633.db2.gz NYNHNESATUUXJU-SCDSUCTJSA-N 1 1 282.815 3.214 20 10 CGCDMO C[C@@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1ccc(F)cc1O ZINC000926916261 638824929 /nfs/dbraw/zinc/82/49/29/638824929.db2.gz OEECJVAAOUBCCP-HFBAOOFYSA-N 1 1 279.355 3.141 20 10 CGCDMO C[C@@H](c1ccc(F)nc1)[N@@H+](C)Cc1ccccc1O ZINC000929970807 638965717 /nfs/dbraw/zinc/96/57/17/638965717.db2.gz LBSVHOLMRIEAME-NSHDSACASA-N 1 1 260.312 3.119 20 10 CGCDMO C[C@@H]1CCCC[N@H+]1CCCNCc1c(O)cccc1Cl ZINC000083551538 640596692 /nfs/dbraw/zinc/59/66/92/640596692.db2.gz DEGOQRGAULPNHT-CYBMUJFWSA-N 1 1 296.842 3.400 20 10 CGCDMO Cc1ccc(F)c(C[N@@H+](C)Cc2ccccc2O)c1 ZINC000091956484 640727554 /nfs/dbraw/zinc/72/75/54/640727554.db2.gz NVXCXBYZVQPABD-UHFFFAOYSA-N 1 1 259.324 3.472 20 10 CGCDMO Cc1cc(C[N@H+](C)Cc2ccccc2O)ccc1F ZINC000091956771 640728513 /nfs/dbraw/zinc/72/85/13/640728513.db2.gz IEELWNNYOCIVCT-UHFFFAOYSA-N 1 1 259.324 3.472 20 10 CGCDMO CCN1CCCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000248528118 640766721 /nfs/dbraw/zinc/76/67/21/640766721.db2.gz VYULYWOTYBZQCU-TZMCWYRMSA-N 1 1 280.387 3.056 20 10 CGCDMO Oc1ccccc1C[N@@H+](Cc1cc[nH]n1)C1CCCC1 ZINC000093319362 640768301 /nfs/dbraw/zinc/76/83/01/640768301.db2.gz DAOFSKQXRZTJRU-UHFFFAOYSA-N 1 1 271.364 3.060 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)c1 ZINC000093324853 640768353 /nfs/dbraw/zinc/76/83/53/640768353.db2.gz FBLHZIQXOJTGAP-AWEZNQCLSA-N 1 1 285.387 3.469 20 10 CGCDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(OC)c2O)C1(C)C ZINC000093605314 640776331 /nfs/dbraw/zinc/77/63/31/640776331.db2.gz WKSMNGWKOIUBRE-CABCVRRESA-N 1 1 293.407 3.036 20 10 CGCDMO Nc1ccc[nH+]c1NCc1cc2ccccc2cc1O ZINC001160206934 806234924 /nfs/dbraw/zinc/23/49/24/806234924.db2.gz ONBDHHPPWHBMRA-UHFFFAOYSA-N 1 1 265.316 3.135 20 10 CGCDMO C[C@@H](CC(F)(F)F)[N@H+]1CCc2cccc(O)c2C1 ZINC001255660601 806697093 /nfs/dbraw/zinc/69/70/93/806697093.db2.gz IYRYZMKZJVWGGM-VIFPVBQESA-N 1 1 259.271 3.091 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)CC2CC(F)(F)C2)c1 ZINC000383567888 799404060 /nfs/dbraw/zinc/40/40/60/799404060.db2.gz TZFBDPKIMHZZJZ-UHFFFAOYSA-N 1 1 255.308 3.178 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C3CC3)C2)c1O ZINC000400063236 799543376 /nfs/dbraw/zinc/54/33/76/799543376.db2.gz BTUKKJAXIVPQHN-GFCCVEGCSA-N 1 1 293.794 3.480 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@@H](OC)CC[C@H]2C)c1O ZINC000687207168 799737570 /nfs/dbraw/zinc/73/75/70/799737570.db2.gz GEIOILOXJQAYFI-MFKMUULPSA-N 1 1 299.798 3.054 20 10 CGCDMO C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccc(F)cc1O ZINC000689225085 799762750 /nfs/dbraw/zinc/76/27/50/799762750.db2.gz NBDMCFFXUGOEST-QPUJVOFHSA-N 1 1 259.271 3.227 20 10 CGCDMO Cc1ccc(CC[NH2+][C@@H](C)c2ccc(F)cc2O)o1 ZINC000689803911 799768777 /nfs/dbraw/zinc/76/87/77/799768777.db2.gz AYYQUWLLMBCJRZ-NSHDSACASA-N 1 1 263.312 3.326 20 10 CGCDMO CC[N@@H+](Cc1ccc(Br)cc1O)C(C)C ZINC000691731143 799787259 /nfs/dbraw/zinc/78/72/59/799787259.db2.gz DAQHYEQVSQQSEE-UHFFFAOYSA-N 1 1 272.186 3.385 20 10 CGCDMO COC[C@@H]1CCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000696570671 799840679 /nfs/dbraw/zinc/84/06/79/799840679.db2.gz FTHABJSDIWSKPN-AWEZNQCLSA-N 1 1 271.360 3.156 20 10 CGCDMO Cc1cccc(C[N@H+]2CCCC(F)(F)CC2)c1O ZINC000702766603 799912398 /nfs/dbraw/zinc/91/23/98/799912398.db2.gz JWEHICJDALYEFI-UHFFFAOYSA-N 1 1 255.308 3.322 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC23CCCC3)c1O ZINC000707142203 799973730 /nfs/dbraw/zinc/97/37/30/799973730.db2.gz LOJZMGKEEDJANM-UHFFFAOYSA-N 1 1 277.339 3.252 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000708388079 799987223 /nfs/dbraw/zinc/98/72/23/799987223.db2.gz GSZUNTNLZNADEZ-SNVBAGLBSA-N 1 1 277.261 3.338 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@H](CF)C2)c1O ZINC000711500596 800064877 /nfs/dbraw/zinc/06/48/77/800064877.db2.gz WYGAVSHZQHLBNR-LBPRGKRZSA-N 1 1 251.345 3.136 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC001256015075 806805100 /nfs/dbraw/zinc/80/51/00/806805100.db2.gz CHVPDQCWRZPQQC-SJLPKXTDSA-N 1 1 288.435 3.144 20 10 CGCDMO C[C@@H]([NH2+]CC[C@@H]1CCCS1)c1ccc(F)cc1O ZINC000715721423 800144255 /nfs/dbraw/zinc/14/42/55/800144255.db2.gz VNPHQCBCIGQNMO-PWSUYJOCSA-N 1 1 269.385 3.468 20 10 CGCDMO C[C@H]([NH2+][C@@H](CCO)C1CCCC1)c1ccc(F)cc1O ZINC000725086475 800371861 /nfs/dbraw/zinc/37/18/61/800371861.db2.gz SEPYGQQOYMBZLE-NHYWBVRUSA-N 1 1 281.371 3.123 20 10 CGCDMO Cc1cc(C)c(C[NH2+]C2CCN(C(C)(C)C)CC2)c(O)c1 ZINC001256566402 806918137 /nfs/dbraw/zinc/91/81/37/806918137.db2.gz SQQQEWFGDZYITO-UHFFFAOYSA-N 1 1 290.451 3.362 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1N(C)C)c1ccc(F)cc1O ZINC001117113490 802434292 /nfs/dbraw/zinc/43/42/92/802434292.db2.gz VUOCKUBHICHKDB-ARFHVFGLSA-N 1 1 294.414 3.445 20 10 CGCDMO CC[N@@H+](CCSC)Cc1ccc(N2CCCC2)cc1 ZINC001118200109 802537790 /nfs/dbraw/zinc/53/77/90/802537790.db2.gz ZDVMUTFKWBXTEX-UHFFFAOYSA-N 1 1 278.465 3.472 20 10 CGCDMO C[C@H]1C[N@H+](Cc2c(O)cccc2F)CCC1(F)F ZINC001137831910 803778685 /nfs/dbraw/zinc/77/86/85/803778685.db2.gz RWJDBKWYFGXNIW-VIFPVBQESA-N 1 1 259.271 3.008 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2c(O)cccc2F)CCC1(F)F ZINC001137831910 803778690 /nfs/dbraw/zinc/77/86/90/803778690.db2.gz RWJDBKWYFGXNIW-VIFPVBQESA-N 1 1 259.271 3.008 20 10 CGCDMO Cc1cc(C[N@@H+](C)CC2COC2)c(C)n1-c1ccccc1 ZINC001137858000 803786726 /nfs/dbraw/zinc/78/67/26/803786726.db2.gz SDOZGONSIBSLJN-UHFFFAOYSA-N 1 1 284.403 3.172 20 10 CGCDMO CC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138220657 803873972 /nfs/dbraw/zinc/87/39/72/803873972.db2.gz LBKLVFDDSCHGCA-QGZVFWFLSA-N 1 1 286.419 3.088 20 10 CGCDMO COC[C@@H]1CCCC[N@H+]1Cc1c(C)n(C)c2ccccc21 ZINC001138252343 803879593 /nfs/dbraw/zinc/87/95/93/803879593.db2.gz CUZFYCJFILCWEW-HNNXBMFYSA-N 1 1 286.419 3.488 20 10 CGCDMO Cc1c(C[N@@H+]2C[C@H](CO)CC[C@@H]2C)c2ccccc2n1C ZINC001138252673 803881500 /nfs/dbraw/zinc/88/15/00/803881500.db2.gz PQYSPEKSZKSYKG-DZGCQCFKSA-N 1 1 286.419 3.080 20 10 CGCDMO CCCC[N@@H+](C)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138336058 803899522 /nfs/dbraw/zinc/89/95/22/803899522.db2.gz JAXIHHAYTUNPME-UHFFFAOYSA-N 1 1 288.435 3.323 20 10 CGCDMO CC[N@@H+](Cc1ccc2c(c1)CCCN2C)C1CCOCC1 ZINC001138357757 803903135 /nfs/dbraw/zinc/90/31/35/803903135.db2.gz JHYBJNVWXKASQR-UHFFFAOYSA-N 1 1 288.435 3.070 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCN3C)[C@H](C)C1 ZINC001138360140 803903323 /nfs/dbraw/zinc/90/33/23/803903323.db2.gz NQHRBFXSNJUPNH-RHSMWYFYSA-N 1 1 288.435 3.068 20 10 CGCDMO Cc1cc(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)ccc1N(C)C ZINC001139670382 804247417 /nfs/dbraw/zinc/24/74/17/804247417.db2.gz LTRYLTBADONHOX-KGLIPLIRSA-N 1 1 280.362 3.148 20 10 CGCDMO CC[N@@H+](Cc1cccnc1)Cc1ccc(N(C)C)c(C)c1 ZINC001139673585 804248283 /nfs/dbraw/zinc/24/82/83/804248283.db2.gz UWTIWUTWNRWKDK-UHFFFAOYSA-N 1 1 283.419 3.478 20 10 CGCDMO COCc1ccc(C[N@H+]2CCc3cccc(O)c3C2)s1 ZINC001139831370 804294358 /nfs/dbraw/zinc/29/43/58/804294358.db2.gz NIGYCBKTPLAKMG-UHFFFAOYSA-N 1 1 289.400 3.158 20 10 CGCDMO O=C(c1ccccc1)[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140060127 804366366 /nfs/dbraw/zinc/36/63/66/804366366.db2.gz LSWRSJCDOWAFKH-AWEZNQCLSA-N 1 1 299.345 3.236 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCc3cc(O)ccc3C2)c1O ZINC001140181734 804396914 /nfs/dbraw/zinc/39/69/14/804396914.db2.gz WBFVEJAEOSTOJS-UHFFFAOYSA-N 1 1 283.371 3.273 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2ccc(Cl)cc2O)cn1 ZINC001140464597 804441097 /nfs/dbraw/zinc/44/10/97/804441097.db2.gz WOSOAJVQNKMVGQ-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO CC[N@@H+](Cc1cccnc1)Cc1ccc(Cl)cc1O ZINC001140466196 804443138 /nfs/dbraw/zinc/44/31/38/804443138.db2.gz ATHIMUMDPRCTPX-UHFFFAOYSA-N 1 1 276.767 3.463 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC001140464889 804443769 /nfs/dbraw/zinc/44/37/69/804443769.db2.gz FDZDLWGMZSLXFI-HNNXBMFYSA-N 1 1 281.783 3.048 20 10 CGCDMO CC[N@@H+](CCN1CCCCC1)Cc1cc(C)ccc1O ZINC001140622973 804477038 /nfs/dbraw/zinc/47/70/38/804477038.db2.gz JJFWCPCZGXHBQG-UHFFFAOYSA-N 1 1 276.424 3.008 20 10 CGCDMO CCN(CC[NH+]1CCCCC1)Cc1cc(C)ccc1O ZINC001140622973 804477041 /nfs/dbraw/zinc/47/70/41/804477041.db2.gz JJFWCPCZGXHBQG-UHFFFAOYSA-N 1 1 276.424 3.008 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c1 ZINC001140619907 804477057 /nfs/dbraw/zinc/47/70/57/804477057.db2.gz UPVUVFYGAVJOGL-YPMHNXCESA-N 1 1 267.319 3.178 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CCC(=O)[C@H](C)C23CCCC3)c1 ZINC001140624157 804477786 /nfs/dbraw/zinc/47/77/86/804477786.db2.gz IXTOXXDVFMHLSW-AWEZNQCLSA-N 1 1 287.403 3.424 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CCC[C@H]2Cc2ccccn2)c1O ZINC001140745952 804503657 /nfs/dbraw/zinc/50/36/57/804503657.db2.gz QSPQCRHXMKBGEP-INIZCTEOSA-N 1 1 298.386 3.008 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CC2CCC2)c(O)c1 ZINC001140855264 804533428 /nfs/dbraw/zinc/53/34/28/804533428.db2.gz UQSPAKZHSOIVFY-UHFFFAOYSA-N 1 1 276.424 3.470 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2C(C)(C)O)c(Cl)c1 ZINC001140925135 804550818 /nfs/dbraw/zinc/55/08/18/804550818.db2.gz OMBMOUAKKLFOER-OAHLLOKOSA-N 1 1 296.842 3.141 20 10 CGCDMO Cc1ccc(C[N@H+]2CCOC[C@H]2Cc2ccccc2)c(O)c1 ZINC001140954030 804558628 /nfs/dbraw/zinc/55/86/28/804558628.db2.gz JPTZUDZIPLIFMU-GOSISDBHSA-N 1 1 297.398 3.144 20 10 CGCDMO FC[C@H]1CCC[N@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078784 804585753 /nfs/dbraw/zinc/58/57/53/804585753.db2.gz IWJZPVIMNLJHCA-QGZVFWFLSA-N 1 1 288.410 3.319 20 10 CGCDMO C[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(O)ccc1O ZINC001141156057 804600432 /nfs/dbraw/zinc/60/04/32/804600432.db2.gz DPVIQIAIPGCUQK-LBPRGKRZSA-N 1 1 269.344 3.217 20 10 CGCDMO Cc1ccc(C[N@H+]2CCc3cccc(O)c3C2)c(F)c1 ZINC001141195424 804607582 /nfs/dbraw/zinc/60/75/82/804607582.db2.gz NKVXCBRNFPMFAQ-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001142509082 804729162 /nfs/dbraw/zinc/72/91/62/804729162.db2.gz WKVFDKMEIAUUFY-LBPRGKRZSA-N 1 1 295.251 3.240 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001142509082 804729166 /nfs/dbraw/zinc/72/91/66/804729166.db2.gz WKVFDKMEIAUUFY-LBPRGKRZSA-N 1 1 295.251 3.240 20 10 CGCDMO C[N@H+](Cc1cccc(O)c1)Cc1cc(F)c(F)cc1O ZINC001142509141 804729196 /nfs/dbraw/zinc/72/91/96/804729196.db2.gz YJGPSENVHXLZHF-UHFFFAOYSA-N 1 1 279.286 3.008 20 10 CGCDMO C[N@@H+](Cc1cccc(O)c1)Cc1cc(F)c(F)cc1O ZINC001142509141 804729198 /nfs/dbraw/zinc/72/91/98/804729198.db2.gz YJGPSENVHXLZHF-UHFFFAOYSA-N 1 1 279.286 3.008 20 10 CGCDMO C[N@H+](Cc1ccon1)Cc1cccc(C(C)(C)C)c1O ZINC001143112277 804804205 /nfs/dbraw/zinc/80/42/05/804804205.db2.gz NYZMRAPMKJRLDM-UHFFFAOYSA-N 1 1 274.364 3.310 20 10 CGCDMO C[N@@H+](Cc1ccon1)Cc1cccc(C(C)(C)C)c1O ZINC001143112277 804804210 /nfs/dbraw/zinc/80/42/10/804804210.db2.gz NYZMRAPMKJRLDM-UHFFFAOYSA-N 1 1 274.364 3.310 20 10 CGCDMO CC[N@H+](CCCN(C)C)Cc1cccc(C(C)(C)C)c1O ZINC001143116695 804804725 /nfs/dbraw/zinc/80/47/25/804804725.db2.gz KAPVQGQJMXLICH-UHFFFAOYSA-N 1 1 292.467 3.463 20 10 CGCDMO CC[N@@H+](CCCN(C)C)Cc1cccc(C(C)(C)C)c1O ZINC001143116695 804804733 /nfs/dbraw/zinc/80/47/33/804804733.db2.gz KAPVQGQJMXLICH-UHFFFAOYSA-N 1 1 292.467 3.463 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCc3cccc(O)c3C2)c1 ZINC001143160259 804812013 /nfs/dbraw/zinc/81/20/13/804812013.db2.gz MQKJXEZAKMQZST-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO Cc1nc(C[N@H+](C)Cc2ccccc2O)ccc1Cl ZINC001248876792 805026616 /nfs/dbraw/zinc/02/66/16/805026616.db2.gz SUPLRPUCNCSFMD-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001168128455 807315946 /nfs/dbraw/zinc/31/59/46/807315946.db2.gz QQJHGKPDPQCXTR-QAPCUYQASA-N 1 1 288.435 3.286 20 10 CGCDMO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NCc1ccc(N3CCCC3)cc1)C2 ZINC001169095314 807573808 /nfs/dbraw/zinc/57/38/08/807573808.db2.gz PDTWTQGKGZXQAQ-LUPIEILUSA-N 1 1 299.462 3.002 20 10 CGCDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NCc1ccc(N3CCCC3)cc1)C2 ZINC001169095314 807573813 /nfs/dbraw/zinc/57/38/13/807573813.db2.gz PDTWTQGKGZXQAQ-LUPIEILUSA-N 1 1 299.462 3.002 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCCOCC1 ZINC001170835448 807922125 /nfs/dbraw/zinc/92/21/25/807922125.db2.gz TYDHSRCGNNQGTD-KRWDZBQOSA-N 1 1 276.424 3.144 20 10 CGCDMO CC(C)OCC[C@@H](C)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001172453261 808325297 /nfs/dbraw/zinc/32/52/97/808325297.db2.gz GBWGXLRLUSORTB-OAHLLOKOSA-N 1 1 278.440 3.388 20 10 CGCDMO CC[C@]1(O)CCC[N@@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001183279805 810143907 /nfs/dbraw/zinc/14/39/07/810143907.db2.gz DPCHAZRGGPVKRB-KRWDZBQOSA-N 1 1 277.408 3.253 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCCC[C@@H]2CCOC)c1O ZINC001203609411 812405541 /nfs/dbraw/zinc/40/55/41/812405541.db2.gz RFOUMQNDAADCHL-OAHLLOKOSA-N 1 1 293.407 3.182 20 10 CGCDMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)c(O)c1 ZINC001203620759 812409437 /nfs/dbraw/zinc/40/94/37/812409437.db2.gz HOHOBGCKCKEJGV-OAHLLOKOSA-N 1 1 288.347 3.034 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C)on2)c(O)c1 ZINC001203620759 812409441 /nfs/dbraw/zinc/40/94/41/812409441.db2.gz HOHOBGCKCKEJGV-OAHLLOKOSA-N 1 1 288.347 3.034 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@](C)(F)CC2)cc1 ZINC001203930503 812495035 /nfs/dbraw/zinc/49/50/35/812495035.db2.gz WIEQSXPDZYLTGV-INIZCTEOSA-N 1 1 264.388 3.467 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](C(F)F)C2)cc1 ZINC001203933653 812496531 /nfs/dbraw/zinc/49/65/31/812496531.db2.gz DIKRFERPMKIUGX-CYBMUJFWSA-N 1 1 268.351 3.230 20 10 CGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CCC[C@@]12CCOC2 ZINC001204321191 812612757 /nfs/dbraw/zinc/61/27/57/812612757.db2.gz HOYDXDBXUBWFBR-SFHVURJKSA-N 1 1 286.419 3.042 20 10 CGCDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204326338 812614598 /nfs/dbraw/zinc/61/45/98/812614598.db2.gz GBFFRCFYMBLGAY-GOSISDBHSA-N 1 1 288.435 3.288 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC[C@@H](C)CC2)c(O)c1 ZINC001204496452 812656165 /nfs/dbraw/zinc/65/61/65/812656165.db2.gz HXCLPHDJAYCWSA-GFCCVEGCSA-N 1 1 263.381 3.331 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCN(C)c3ccccc3C2)c(O)c1 ZINC001204789625 812736591 /nfs/dbraw/zinc/73/65/91/812736591.db2.gz CPUHJCZLQOLOCY-UHFFFAOYSA-N 1 1 282.387 3.153 20 10 CGCDMO CC(C)[C@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC001204974779 812805010 /nfs/dbraw/zinc/80/50/10/812805010.db2.gz BOEKOQPGYWUPLV-DUMMIQTOSA-N 1 1 288.435 3.123 20 10 CGCDMO CC(C)[C@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC001204974779 812805022 /nfs/dbraw/zinc/80/50/22/812805022.db2.gz BOEKOQPGYWUPLV-DUMMIQTOSA-N 1 1 288.435 3.123 20 10 CGCDMO Oc1c(F)cccc1C[NH2+]C/C=C/c1ccccc1 ZINC001204984571 812809725 /nfs/dbraw/zinc/80/97/25/812809725.db2.gz LDFLDKGSXWDSBR-VMPITWQZSA-N 1 1 257.308 3.334 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@@H]2C(C)(C)O)c1 ZINC001205311799 812946193 /nfs/dbraw/zinc/94/61/93/812946193.db2.gz JMWLRLZNKSBDKT-MRXNPFEDSA-N 1 1 277.408 3.251 20 10 CGCDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1c(C)cc(OC)cc1O ZINC001205489285 812990935 /nfs/dbraw/zinc/99/09/35/812990935.db2.gz NGJMHKQEIMSSGA-ABAIWWIYSA-N 1 1 263.381 3.330 20 10 CGCDMO C[C@H]1C[N@H+](Cc2cc3ccccc3cc2[O-])CCC[C@@H]1C[NH3+] ZINC001206021807 813169355 /nfs/dbraw/zinc/16/93/55/813169355.db2.gz BDGQDNVPWTTYJQ-WMLDXEAASA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc3ccccc3cc2[O-])CCC[C@@H]1C[NH3+] ZINC001206021807 813169357 /nfs/dbraw/zinc/16/93/57/813169357.db2.gz BDGQDNVPWTTYJQ-WMLDXEAASA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001206566342 813357187 /nfs/dbraw/zinc/35/71/87/813357187.db2.gz ZVZUFILCQXATGY-LJQANCHMSA-N 1 1 298.430 3.496 20 10 CGCDMO C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001206566342 813357197 /nfs/dbraw/zinc/35/71/97/813357197.db2.gz ZVZUFILCQXATGY-LJQANCHMSA-N 1 1 298.430 3.496 20 10 CGCDMO CC[N@H+](Cc1ncc2ccccn21)Cc1ccccc1O ZINC001207057692 813474467 /nfs/dbraw/zinc/47/44/67/813474467.db2.gz QKWLBOQLKFGSHW-UHFFFAOYSA-N 1 1 281.359 3.062 20 10 CGCDMO CC[N@@H+](Cc1ncc2ccccn21)Cc1ccccc1O ZINC001207057692 813474471 /nfs/dbraw/zinc/47/44/71/813474471.db2.gz QKWLBOQLKFGSHW-UHFFFAOYSA-N 1 1 281.359 3.062 20 10 CGCDMO Cc1cc(O)c(CN2CC[N@@H+](C)[C@@H](C(C)C)C2)c(Cl)c1 ZINC001207195631 813514165 /nfs/dbraw/zinc/51/41/65/813514165.db2.gz CBMVCCUSVZWSJV-OAHLLOKOSA-N 1 1 296.842 3.126 20 10 CGCDMO COc1ccc2c(c1)c1c(n2C)CC[N@H+](CCC2CC2)C1 ZINC001208684451 813795191 /nfs/dbraw/zinc/79/51/91/813795191.db2.gz BDYZLSQWUBBUHK-UHFFFAOYSA-N 1 1 284.403 3.345 20 10 CGCDMO CC[N@@H+](Cc1cn2cccc(C)c2n1)Cc1ccccc1O ZINC001209741000 814127660 /nfs/dbraw/zinc/12/76/60/814127660.db2.gz IFMHQIWDEFEHRS-UHFFFAOYSA-N 1 1 295.386 3.370 20 10 CGCDMO C[N@H+]1CC[C@H](OC2=CC(=O)C=CC2=NNc2ccccn2)C1 ZINC001227487792 817660397 /nfs/dbraw/zinc/66/03/97/817660397.db2.gz ZPSDZEWOTDVODV-HVCBDAARSA-N 1 1 298.346 3.286 20 10 CGCDMO C[N@@H+](CCC[NH+]1CCCC1)Cc1c(O)ccc2ccccc21 ZINC001231590280 818129255 /nfs/dbraw/zinc/12/92/55/818129255.db2.gz QAXOWBXXSWCBAC-UHFFFAOYSA-N 1 1 298.430 3.463 20 10 CGCDMO C[N@H+](CCC[NH+]1CCCC1)Cc1c([O-])ccc2ccccc21 ZINC001231590280 818129258 /nfs/dbraw/zinc/12/92/58/818129258.db2.gz QAXOWBXXSWCBAC-UHFFFAOYSA-N 1 1 298.430 3.463 20 10 CGCDMO C[N@@H+](CCC[NH+]1CCCC1)Cc1c([O-])ccc2ccccc21 ZINC001231590280 818129263 /nfs/dbraw/zinc/12/92/63/818129263.db2.gz QAXOWBXXSWCBAC-UHFFFAOYSA-N 1 1 298.430 3.463 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@H](Oc3cccnc3)C2)c1O ZINC001231592509 818131520 /nfs/dbraw/zinc/13/15/20/818131520.db2.gz NJNIUDJIQUOHOY-KRWDZBQOSA-N 1 1 298.386 3.139 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)c1O ZINC001231591155 818131950 /nfs/dbraw/zinc/13/19/50/818131950.db2.gz UPUYEEYWMZTLFR-LBPRGKRZSA-N 1 1 273.298 3.270 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c(O)cc1O ZINC001231636327 818143831 /nfs/dbraw/zinc/14/38/31/818143831.db2.gz SOHCQAOGQYJIEA-OCCSQVGLSA-N 1 1 291.391 3.261 20 10 CGCDMO Cc1cc(C)c(C[N@H+](C)Cc2cscn2)c(O)c1 ZINC001231846112 818187516 /nfs/dbraw/zinc/18/75/16/818187516.db2.gz GNLKPFQCUNGHLL-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO Cc1cc(C)c(C[N@@H+](C)Cc2cscn2)c(O)c1 ZINC001231846112 818187521 /nfs/dbraw/zinc/18/75/21/818187521.db2.gz GNLKPFQCUNGHLL-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO CCCC[N@@H+](CC)Cc1ccc(N(C)C)cc1OC ZINC001231849252 818189457 /nfs/dbraw/zinc/18/94/57/818189457.db2.gz QDVJMLOQSBOLBV-UHFFFAOYSA-N 1 1 264.413 3.383 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+](C)Cc1ccc(C)nc1 ZINC001231857443 818190019 /nfs/dbraw/zinc/19/00/19/818190019.db2.gz KFEPMHRIRZLJHQ-UHFFFAOYSA-N 1 1 299.418 3.097 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@@H+](C)Cc1ccc(C)nc1 ZINC001231857443 818190023 /nfs/dbraw/zinc/19/00/23/818190023.db2.gz KFEPMHRIRZLJHQ-UHFFFAOYSA-N 1 1 299.418 3.097 20 10 CGCDMO C[NH+](C)C1CCN(Cc2ccc3ccccc3c2O)CC1 ZINC001231878959 818198252 /nfs/dbraw/zinc/19/82/52/818198252.db2.gz WIJBGONDUSTXPK-UHFFFAOYSA-N 1 1 284.403 3.071 20 10 CGCDMO Cc1ncc(C[N@H+](C)Cc2ccc3ccccc3c2O)cn1 ZINC001231882029 818199874 /nfs/dbraw/zinc/19/98/74/818199874.db2.gz DQVSXYLBTRZNFF-UHFFFAOYSA-N 1 1 293.370 3.276 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CCCC[C@H](F)C1 ZINC001231909614 818209491 /nfs/dbraw/zinc/20/94/91/818209491.db2.gz GMBAZRPBTMSROD-NSHDSACASA-N 1 1 257.736 3.370 20 10 CGCDMO CC[N@@H+](Cc1cc2ncccc2[nH]1)Cc1ccccc1O ZINC001232065659 818242886 /nfs/dbraw/zinc/24/28/86/818242886.db2.gz DZCBMPYKAUPJPW-UHFFFAOYSA-N 1 1 281.359 3.291 20 10 CGCDMO C[C@]1(F)CCC[N@@H+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232261181 818295581 /nfs/dbraw/zinc/29/55/81/818295581.db2.gz WGZJWVPENHWORX-AWEZNQCLSA-N 1 1 287.762 3.465 20 10 CGCDMO Cc1ncc(F)cc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001232991508 818495371 /nfs/dbraw/zinc/49/53/71/818495371.db2.gz CMIOQSUTFNEAMU-UHFFFAOYSA-N 1 1 287.382 3.227 20 10 CGCDMO [O-]c1c(F)c(F)ccc1CN1CCc2ccsc2C1 ZINC001233076965 818518083 /nfs/dbraw/zinc/51/80/83/818518083.db2.gz AISNOTUYTWFIMC-UHFFFAOYSA-N 1 1 281.327 3.290 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+](CC2CC2)C2CC2)c1O ZINC001233290412 818570223 /nfs/dbraw/zinc/57/02/23/818570223.db2.gz AXSPXFHUPJTKPN-UHFFFAOYSA-N 1 1 281.783 3.429 20 10 CGCDMO Oc1ccc(F)c(F)c1C[NH+]1CCC2(CC(F)C2)CC1 ZINC001233332467 818584838 /nfs/dbraw/zinc/58/48/38/818584838.db2.gz MAUNVLSZGOSPSJ-UHFFFAOYSA-N 1 1 285.309 3.385 20 10 CGCDMO Oc1ccc(F)c(F)c1C[NH+]1CCC2(CCOCC2)CC1 ZINC001233334947 818586698 /nfs/dbraw/zinc/58/66/98/818586698.db2.gz ARDBYZFLGXYDJZ-UHFFFAOYSA-N 1 1 297.345 3.063 20 10 CGCDMO [O-]c1ccc(F)c(F)c1C[N@@H+](C1CCC1)C1CCOCC1 ZINC001233336364 818588043 /nfs/dbraw/zinc/58/80/43/818588043.db2.gz JJMGQHCCRNIFBE-UHFFFAOYSA-N 1 1 297.345 3.204 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@H+](C1CCC1)C1CCOCC1 ZINC001233336364 818588051 /nfs/dbraw/zinc/58/80/51/818588051.db2.gz JJMGQHCCRNIFBE-UHFFFAOYSA-N 1 1 297.345 3.204 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@@H+](C1CCC1)C1CCOCC1 ZINC001233336364 818588059 /nfs/dbraw/zinc/58/80/59/818588059.db2.gz JJMGQHCCRNIFBE-UHFFFAOYSA-N 1 1 297.345 3.204 20 10 CGCDMO COCC[N@H+](Cc1cccc(C(F)(F)F)c1O)C(C)C ZINC001233418191 818615211 /nfs/dbraw/zinc/61/52/11/818615211.db2.gz WWNVZXCGDQNWGM-UHFFFAOYSA-N 1 1 291.313 3.268 20 10 CGCDMO COCC[N@@H+](Cc1cccc(C(F)(F)F)c1O)C(C)C ZINC001233418191 818615213 /nfs/dbraw/zinc/61/52/13/818615213.db2.gz WWNVZXCGDQNWGM-UHFFFAOYSA-N 1 1 291.313 3.268 20 10 CGCDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1O)[C@H]1CCCOC1 ZINC001233455474 818622821 /nfs/dbraw/zinc/62/28/21/818622821.db2.gz MFKMNTSIANRZRN-LBPRGKRZSA-N 1 1 289.297 3.022 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CCC[C@@H](c3ccccc3)C2)cc1O ZINC001233484932 818624989 /nfs/dbraw/zinc/62/49/89/818624989.db2.gz CKFNEEZAMPXVLJ-CQSZACIVSA-N 1 1 299.370 3.183 20 10 CGCDMO Cc1nc(C)c(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)[nH]1 ZINC001234635660 818897505 /nfs/dbraw/zinc/89/75/05/818897505.db2.gz NMLYJTIAIRLZST-UHFFFAOYSA-N 1 1 298.434 3.259 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C[C@H]1O ZINC001235000917 818974935 /nfs/dbraw/zinc/97/49/35/818974935.db2.gz KXUILUPNMLIIHF-RDTXWAMCSA-N 1 1 297.398 3.262 20 10 CGCDMO Cc1ccnc(C[N@H+](C)Cc2ccccc2O)c1Cl ZINC001235588048 819124070 /nfs/dbraw/zinc/12/40/70/819124070.db2.gz MBLATVAZTQQNFC-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO Cc1ccnc(C[N@@H+](C)Cc2ccccc2O)c1Cl ZINC001235588048 819124077 /nfs/dbraw/zinc/12/40/77/819124077.db2.gz MBLATVAZTQQNFC-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO C[C@H]1CC[C@H](CO)C[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235676043 819136204 /nfs/dbraw/zinc/13/62/04/819136204.db2.gz OEWWALBZVOJAFP-KBPBESRZSA-N 1 1 291.435 3.283 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)CC[C@@H]1O ZINC001235675884 819136868 /nfs/dbraw/zinc/13/68/68/819136868.db2.gz LOIAZIKAQPBSJI-CJNGLKHVSA-N 1 1 291.435 3.283 20 10 CGCDMO Nc1ccc(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)cc1 ZINC001235689698 819141574 /nfs/dbraw/zinc/14/15/74/819141574.db2.gz BJXQKLJXHFXABN-SFHVURJKSA-N 1 1 282.387 3.312 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCNC3(CC3)C2)cc1 ZINC001235932391 819229525 /nfs/dbraw/zinc/22/95/25/819229525.db2.gz JFGPFKLNURXFPK-UHFFFAOYSA-N 1 1 295.430 3.032 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCNC3(CC3)C2)cc1 ZINC001235932391 819229531 /nfs/dbraw/zinc/22/95/31/819229531.db2.gz JFGPFKLNURXFPK-UHFFFAOYSA-N 1 1 295.430 3.032 20 10 CGCDMO CCC[C@@H]1CNCC[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236132397 819335609 /nfs/dbraw/zinc/33/56/09/819335609.db2.gz JHBSDHLUJIVEID-QGZVFWFLSA-N 1 1 284.403 3.119 20 10 CGCDMO CCC[C@@H]1CNCC[N@H+]1Cc1cc2ccccc2cc1O ZINC001236132397 819335615 /nfs/dbraw/zinc/33/56/15/819335615.db2.gz JHBSDHLUJIVEID-QGZVFWFLSA-N 1 1 284.403 3.119 20 10 CGCDMO Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3ccc(N)cc3)C2)c1 ZINC001236532624 819525032 /nfs/dbraw/zinc/52/50/32/819525032.db2.gz DLHXGZUTOUNLPA-QGZVFWFLSA-N 1 1 297.402 3.016 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H]2C)c1 ZINC001236662399 819565888 /nfs/dbraw/zinc/56/58/88/819565888.db2.gz DKKMIYLPARPRTC-SECBINFHSA-N 1 1 270.170 3.057 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H]2C)c1 ZINC001236662399 819565893 /nfs/dbraw/zinc/56/58/93/819565893.db2.gz DKKMIYLPARPRTC-SECBINFHSA-N 1 1 270.170 3.057 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)cc1OC ZINC001236750592 819589546 /nfs/dbraw/zinc/58/95/46/819589546.db2.gz TYFJZTHZUGCAIQ-CHWSQXEVSA-N 1 1 291.391 3.031 20 10 CGCDMO CCc1ccc(C[N@@H+](C)Cc2ccc(C)nc2)c(O)c1 ZINC001236787908 819595707 /nfs/dbraw/zinc/59/57/07/819595707.db2.gz MDDJOCKSCVCPEN-UHFFFAOYSA-N 1 1 270.376 3.290 20 10 CGCDMO CCc1ccc(C[N@@H+](C)Cc2cncs2)c(O)c1 ZINC001236792874 819596530 /nfs/dbraw/zinc/59/65/30/819596530.db2.gz SOUKZOIHEVAJPK-UHFFFAOYSA-N 1 1 262.378 3.043 20 10 CGCDMO CCc1ccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c(O)c1 ZINC001236792888 819597254 /nfs/dbraw/zinc/59/72/54/819597254.db2.gz TUFIBBWQJKOFAX-QGZVFWFLSA-N 1 1 298.386 3.003 20 10 CGCDMO CC[N@@H+](CCOC)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236794916 819597538 /nfs/dbraw/zinc/59/75/38/819597538.db2.gz WPXZALBLZVNWDM-UHFFFAOYSA-N 1 1 278.179 3.167 20 10 CGCDMO CC[N@H+](CCOC)Cc1cc(Cl)c(Cl)cc1O ZINC001236794916 819597541 /nfs/dbraw/zinc/59/75/41/819597541.db2.gz WPXZALBLZVNWDM-UHFFFAOYSA-N 1 1 278.179 3.167 20 10 CGCDMO CC[N@@H+](CCOC)Cc1cc(Cl)c(Cl)cc1O ZINC001236794916 819597546 /nfs/dbraw/zinc/59/75/46/819597546.db2.gz WPXZALBLZVNWDM-UHFFFAOYSA-N 1 1 278.179 3.167 20 10 CGCDMO CCc1ccc(C[N@H+](C)CC(=O)c2ccccc2)c(O)c1 ZINC001236793504 819598269 /nfs/dbraw/zinc/59/82/69/819598269.db2.gz XFLFJMMUSWRSOX-UHFFFAOYSA-N 1 1 283.371 3.269 20 10 CGCDMO CCc1ccc(C[N@@H+](C)CC(=O)c2ccccc2)c(O)c1 ZINC001236793504 819598271 /nfs/dbraw/zinc/59/82/71/819598271.db2.gz XFLFJMMUSWRSOX-UHFFFAOYSA-N 1 1 283.371 3.269 20 10 CGCDMO CC[N@@H+](Cc1c(O)cc(OC)cc1Cl)C1CCOCC1 ZINC001236800443 819600593 /nfs/dbraw/zinc/60/05/93/819600593.db2.gz WVAUTEOOSWVPLT-UHFFFAOYSA-N 1 1 299.798 3.055 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCCC[C@@H](F)C2)c(O)c1 ZINC001236808062 819602176 /nfs/dbraw/zinc/60/21/76/819602176.db2.gz LHLBYOWYUYOWJP-GFCCVEGCSA-N 1 1 267.344 3.033 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001236833954 819613932 /nfs/dbraw/zinc/61/39/32/819613932.db2.gz RHOMLBYTXPZCHO-RDJZCZTQSA-N 1 1 283.371 3.014 20 10 CGCDMO CCCCN1CC[NH+](Cc2cc3ccccc3cc2O)CC1 ZINC001236842490 819618212 /nfs/dbraw/zinc/61/82/12/819618212.db2.gz WAZLPLROQOKWIZ-UHFFFAOYSA-N 1 1 298.430 3.463 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCc3ccncc3C2)c(O)c1 ZINC001237049196 819651948 /nfs/dbraw/zinc/65/19/48/819651948.db2.gz MIMLRGSDOJVPAE-UHFFFAOYSA-N 1 1 282.387 3.469 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCNC2=CCCC[C@@H]21 ZINC001237224258 819703181 /nfs/dbraw/zinc/70/31/81/819703181.db2.gz CHXAUYZXUCQDCQ-SFHVURJKSA-N 1 1 294.398 3.387 20 10 CGCDMO CCn1cncc1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001237589213 819782987 /nfs/dbraw/zinc/78/29/87/819782987.db2.gz AAKQBIRJQGVKMB-UHFFFAOYSA-N 1 1 298.434 3.135 20 10 CGCDMO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001237617366 819787409 /nfs/dbraw/zinc/78/74/09/819787409.db2.gz PIGPZNGMTBNWNT-SCZZXKLOSA-N 1 1 291.700 3.272 20 10 CGCDMO CN(Cc1cncs1)Cc1cc(Cl)cc(F)c1[O-] ZINC001237622925 819788367 /nfs/dbraw/zinc/78/83/67/819788367.db2.gz FDLZNCUFJFTWRI-UHFFFAOYSA-N 1 1 286.759 3.273 20 10 CGCDMO COc1cc(C[N@H+]2CCC23CCCCC3)c(O)c(OC)c1 ZINC001237668909 819803231 /nfs/dbraw/zinc/80/32/31/819803231.db2.gz HWAOXFMRLFFHKZ-UHFFFAOYSA-N 1 1 291.391 3.318 20 10 CGCDMO CCCCC[N@@H+](C)Cc1cc(OC)cc(OC)c1O ZINC001237675297 819803341 /nfs/dbraw/zinc/80/33/41/819803341.db2.gz VNDXCHQISFMFDG-UHFFFAOYSA-N 1 1 267.369 3.031 20 10 CGCDMO CC[N@@H+](Cc1cc(Cl)cc(C)c1O)C1CCOCC1 ZINC001237687562 819805208 /nfs/dbraw/zinc/80/52/08/819805208.db2.gz MHNKPKFDXBCFPG-UHFFFAOYSA-N 1 1 283.799 3.355 20 10 CGCDMO COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)c(Cl)cc1O ZINC001237939269 819887975 /nfs/dbraw/zinc/88/79/75/819887975.db2.gz ALWFYZSPHFPZJD-FOSCPWQOSA-N 1 1 299.773 3.327 20 10 CGCDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)c(Cl)cc1O ZINC001237939269 819887981 /nfs/dbraw/zinc/88/79/81/819887981.db2.gz ALWFYZSPHFPZJD-FOSCPWQOSA-N 1 1 299.773 3.327 20 10 CGCDMO CC1(C)[C@@H]2C[N@@H+](Cc3cc(F)c(Cl)cc3O)C[C@@H]21 ZINC001237939362 819889229 /nfs/dbraw/zinc/88/92/29/819889229.db2.gz AYRFHQZNUDIPNR-AOOOYVTPSA-N 1 1 269.747 3.273 20 10 CGCDMO CC1(C)[C@@H]2C[N@H+](Cc3cc(F)c(Cl)cc3O)C[C@@H]21 ZINC001237939362 819889242 /nfs/dbraw/zinc/88/92/42/819889242.db2.gz AYRFHQZNUDIPNR-AOOOYVTPSA-N 1 1 269.747 3.273 20 10 CGCDMO CCO[C@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237935984 819889978 /nfs/dbraw/zinc/88/99/78/819889978.db2.gz HSDIEPDZDCEMKI-NSHDSACASA-N 1 1 287.762 3.186 20 10 CGCDMO CCO[C@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237935984 819889991 /nfs/dbraw/zinc/88/99/91/819889991.db2.gz HSDIEPDZDCEMKI-NSHDSACASA-N 1 1 287.762 3.186 20 10 CGCDMO COc1ncc(C2CC2)cc1C[N@@H+](C)Cc1ccccc1O ZINC001238029798 819917069 /nfs/dbraw/zinc/91/70/69/819917069.db2.gz AGJUNQABHLZJJP-UHFFFAOYSA-N 1 1 298.386 3.305 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)Cc2cc(F)cc(F)c2)c1 ZINC001339287738 936364786 /nfs/dbraw/zinc/36/47/86/936364786.db2.gz MURYTBCTXQIIPS-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CC[C@@H]1C1CC1 ZINC001344077653 936525600 /nfs/dbraw/zinc/52/56/00/936525600.db2.gz YTVQQISZPDHAMV-QGZVFWFLSA-N 1 1 256.393 3.271 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)cc1Cl ZINC001347394318 936882369 /nfs/dbraw/zinc/88/23/69/936882369.db2.gz IFQLYNWATGSUCY-OCCSQVGLSA-N 1 1 295.810 3.211 20 10 CGCDMO CC[C@]1(O)CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001352875108 937051726 /nfs/dbraw/zinc/05/17/26/937051726.db2.gz DIGNEJMDDVGVJL-SFHVURJKSA-N 1 1 288.435 3.024 20 10 CGCDMO C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(N)cc1 ZINC001356082889 937152936 /nfs/dbraw/zinc/15/29/36/937152936.db2.gz HFULZHFUEARBLN-GXFFZTMASA-N 1 1 272.314 3.432 20 10 CGCDMO Cc1cc(O)c(CN(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1Cl ZINC001474577026 937207016 /nfs/dbraw/zinc/20/70/16/937207016.db2.gz DZFFNUNINJIAJJ-CQSZACIVSA-N 1 1 296.842 3.269 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCN(C(C)C)C2)cc1Cl ZINC001474577026 937207018 /nfs/dbraw/zinc/20/70/18/937207018.db2.gz DZFFNUNINJIAJJ-CQSZACIVSA-N 1 1 296.842 3.269 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)[C@@H]2CCN(C(C)C)C2)cc1Cl ZINC001474577026 937207021 /nfs/dbraw/zinc/20/70/21/937207021.db2.gz DZFFNUNINJIAJJ-CQSZACIVSA-N 1 1 296.842 3.269 20 10 CGCDMO Cc1cc(Cl)nc(C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC001474123424 937203166 /nfs/dbraw/zinc/20/31/66/937203166.db2.gz WLMHXZVZFFITEO-UHFFFAOYSA-N 1 1 298.720 3.317 20 10 CGCDMO CC[C@]1(C)C[N@H+](Cc2c(O)cc(C)cc2Cl)CCO1 ZINC001462091849 937617566 /nfs/dbraw/zinc/61/75/66/937617566.db2.gz DJXKVDUBYISBQB-OAHLLOKOSA-N 1 1 283.799 3.355 20 10 CGCDMO CC[C@]1(C)C[N@@H+](Cc2c(O)cc(C)cc2Cl)CCO1 ZINC001462091849 937617568 /nfs/dbraw/zinc/61/75/68/937617568.db2.gz DJXKVDUBYISBQB-OAHLLOKOSA-N 1 1 283.799 3.355 20 10 CGCDMO CCc1ccc(C[N@H+]2Cc3cccc(O)c3C2)cc1 ZINC001462521687 937647189 /nfs/dbraw/zinc/64/71/89/937647189.db2.gz SANJBHNBRGEVAW-UHFFFAOYSA-N 1 1 253.345 3.470 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCOCC23CCCCC3)cc1 ZINC001307770444 932998683 /nfs/dbraw/zinc/99/86/83/932998683.db2.gz DCNKLCADCGRFLI-UHFFFAOYSA-N 1 1 288.435 3.288 20 10 CGCDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C)cc2O)C1(C)C ZINC001308567785 933134281 /nfs/dbraw/zinc/13/42/81/933134281.db2.gz OUZUUQNDYBJGAB-JKSUJKDBSA-N 1 1 277.408 3.336 20 10 CGCDMO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)c(F)cc1O ZINC001308716141 933164698 /nfs/dbraw/zinc/16/46/98/933164698.db2.gz QFLHFXTUIOUVNE-NXEZZACHSA-N 1 1 255.308 3.196 20 10 CGCDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001308728927 933165395 /nfs/dbraw/zinc/16/53/95/933165395.db2.gz CHONHKSBMHRJSU-APPZFPTMSA-N 1 1 295.251 3.443 20 10 CGCDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001308728927 933165397 /nfs/dbraw/zinc/16/53/97/933165397.db2.gz CHONHKSBMHRJSU-APPZFPTMSA-N 1 1 295.251 3.443 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC001308776404 933174789 /nfs/dbraw/zinc/17/47/89/933174789.db2.gz YDLJAAIUEINZEH-CYBMUJFWSA-N 1 1 283.824 3.373 20 10 CGCDMO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001308821947 933184689 /nfs/dbraw/zinc/18/46/89/933184689.db2.gz WPNRLDDCDIDUPO-SECBINFHSA-N 1 1 255.308 3.291 20 10 CGCDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1cc(F)c(F)cc1O ZINC001308821947 933184693 /nfs/dbraw/zinc/18/46/93/933184693.db2.gz WPNRLDDCDIDUPO-SECBINFHSA-N 1 1 255.308 3.291 20 10 CGCDMO O=c1[nH]c2ccccc2cc1C[NH2+]Cc1cccc(F)c1O ZINC001308987241 933222364 /nfs/dbraw/zinc/22/23/64/933222364.db2.gz SGYMNMQYVOUCKF-UHFFFAOYSA-N 1 1 298.317 3.075 20 10 CGCDMO C[C@@H]1CSCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001321090328 934148269 /nfs/dbraw/zinc/14/82/69/934148269.db2.gz JTWQPQMZTFLLTF-HNNXBMFYSA-N 1 1 290.476 3.472 20 10 CGCDMO CCC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC001324425488 934500728 /nfs/dbraw/zinc/50/07/28/934500728.db2.gz SYIZJNMQDMOQLW-OAHLLOKOSA-N 1 1 289.375 3.148 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001325290106 934901373 /nfs/dbraw/zinc/90/13/73/934901373.db2.gz SQLKXNZFDRCSGJ-FUHWJXTLSA-N 1 1 288.435 3.062 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1C=CCCC1 ZINC001326327559 934970366 /nfs/dbraw/zinc/97/03/66/934970366.db2.gz UZBHJWQYEAMBAI-JTQLQIEISA-N 1 1 255.720 3.383 20 10 CGCDMO CCCC[N@@H+](Cc1ccccc1[O-])CC1CC[NH+](C)CC1 ZINC001334270633 936093913 /nfs/dbraw/zinc/09/39/13/936093913.db2.gz KTKAXUGDROOZBI-UHFFFAOYSA-N 1 1 290.451 3.336 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1[O-])CC1CC[NH+](C)CC1 ZINC001334270633 936093917 /nfs/dbraw/zinc/09/39/17/936093917.db2.gz KTKAXUGDROOZBI-UHFFFAOYSA-N 1 1 290.451 3.336 20 10 CGCDMO Nc1ccc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC001336285074 936186269 /nfs/dbraw/zinc/18/62/69/936186269.db2.gz HMOWIDCRBIJWGO-GOSISDBHSA-N 1 1 281.403 3.345 20 10 CGCDMO CCC[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001337041761 936233994 /nfs/dbraw/zinc/23/39/94/936233994.db2.gz CBPMNMNFOOYXAN-GOSISDBHSA-N 1 1 288.435 3.288 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCCC(C)(C)C2)c(O)c1 ZINC001474445382 937860450 /nfs/dbraw/zinc/86/04/50/937860450.db2.gz CPCIAGUMDONFNT-UHFFFAOYSA-N 1 1 263.381 3.331 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)c1 ZINC001474504281 937863904 /nfs/dbraw/zinc/86/39/04/937863904.db2.gz FCYYVOWNDQYWDV-PBHICJAKSA-N 1 1 290.451 3.288 20 10 CGCDMO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1O)c1ccncc1 ZINC001474659046 937873337 /nfs/dbraw/zinc/87/33/37/937873337.db2.gz VPNGWHSTZMEGQD-NSHDSACASA-N 1 1 276.767 3.334 20 10 CGCDMO CC1=CCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001560790365 938275653 /nfs/dbraw/zinc/27/56/53/938275653.db2.gz AORCZFNVQKBHSN-UHFFFAOYSA-N 1 1 266.335 3.183 20 10 CGCDMO CC1=CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001560790365 938275654 /nfs/dbraw/zinc/27/56/54/938275654.db2.gz AORCZFNVQKBHSN-UHFFFAOYSA-N 1 1 266.335 3.183 20 10 CGCDMO CC[N@H+](Cc1cc(C(C)C)ccc1O)C[C@@H](C)OC ZINC001560846074 938279178 /nfs/dbraw/zinc/27/91/78/938279178.db2.gz YQFJXBRFIDXLAV-CYBMUJFWSA-N 1 1 265.397 3.372 20 10 CGCDMO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2F)C12CCCC2 ZINC001561016025 938289665 /nfs/dbraw/zinc/28/96/65/938289665.db2.gz MVWATKNKCBLCIV-HZPDHXFCSA-N 1 1 293.382 3.359 20 10 CGCDMO CCOCC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000057626097 345184391 /nfs/dbraw/zinc/18/43/91/345184391.db2.gz LZDVUTZJSVOGOX-UHFFFAOYSA-N 1 1 276.424 3.145 20 10 CGCDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cnccn1 ZINC000092590864 370098027 /nfs/dbraw/zinc/09/80/27/370098027.db2.gz MECFYZCCVXOSPE-UHFFFAOYSA-N 1 1 296.418 3.099 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cnccn1 ZINC000092590864 370098031 /nfs/dbraw/zinc/09/80/31/370098031.db2.gz MECFYZCCVXOSPE-UHFFFAOYSA-N 1 1 296.418 3.099 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)Cc1nc(C)ccc1O ZINC000092704967 370100164 /nfs/dbraw/zinc/10/01/64/370100164.db2.gz FCWIFUWQTVRCBW-UHFFFAOYSA-N 1 1 286.375 3.213 20 10 CGCDMO CCc1nc(NCc2ccc(N3CC=CC3)cc2)cc(C)[nH+]1 ZINC000287516690 371667884 /nfs/dbraw/zinc/66/78/84/371667884.db2.gz ZPSJCQBDGRADMQ-UHFFFAOYSA-N 1 1 294.402 3.336 20 10 CGCDMO CC[C@@H]([NH2+]C1CC(F)(F)C1)c1ccc(F)cc1O ZINC000287392600 371649095 /nfs/dbraw/zinc/64/90/95/371649095.db2.gz ITQPWZUKANETSW-LLVKDONJSA-N 1 1 259.271 3.370 20 10 CGCDMO Cc1cccnc1CC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000295051342 372688171 /nfs/dbraw/zinc/68/81/71/372688171.db2.gz POTWIXAMRAXVQY-UHFFFAOYSA-N 1 1 294.757 3.220 20 10 CGCDMO COC[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295415647 372772566 /nfs/dbraw/zinc/77/25/66/372772566.db2.gz RWOCHSZNWGMPOJ-JTQLQIEISA-N 1 1 287.762 3.043 20 10 CGCDMO COC[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000295415647 372772576 /nfs/dbraw/zinc/77/25/76/372772576.db2.gz RWOCHSZNWGMPOJ-JTQLQIEISA-N 1 1 287.762 3.043 20 10 CGCDMO Cn1c[nH+]c2cc(NCc3ccc(C(C)(C)O)cc3)ccc21 ZINC000295653025 372861560 /nfs/dbraw/zinc/86/15/60/372861560.db2.gz HNIIKNBIDMQCTG-UHFFFAOYSA-N 1 1 295.386 3.413 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+](C)[C@H]2CCSC2)c1O ZINC000179681419 373905938 /nfs/dbraw/zinc/90/59/38/373905938.db2.gz PLFQEURCGOYSCL-LBPRGKRZSA-N 1 1 271.813 3.291 20 10 CGCDMO COc1cccc(C[N@@H+](C)C[C@H](C)c2nccs2)c1O ZINC000183262543 374392953 /nfs/dbraw/zinc/39/29/53/374392953.db2.gz MZIKTHRYZIWOEF-NSHDSACASA-N 1 1 292.404 3.093 20 10 CGCDMO CCC(C)(C)[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000271764794 378503913 /nfs/dbraw/zinc/50/39/13/378503913.db2.gz ZWORTOWHNZRSJY-UHFFFAOYSA-N 1 1 267.369 3.030 20 10 CGCDMO COc1cc(O)c(C[N@H+]2C[C@@H](C)CC2(C)C)cc1OC ZINC000271903926 378511844 /nfs/dbraw/zinc/51/18/44/378511844.db2.gz ZVQCFVYXNWZSMT-NSHDSACASA-N 1 1 279.380 3.030 20 10 CGCDMO CC(C)C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2O)CCO1 ZINC000272674246 378686280 /nfs/dbraw/zinc/68/62/80/378686280.db2.gz UIGRJJKNFBBFEQ-KBPBESRZSA-N 1 1 281.371 3.215 20 10 CGCDMO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c(C)c2O)n[nH]1 ZINC000273354492 378742716 /nfs/dbraw/zinc/74/27/16/378742716.db2.gz CJILGRNWOCHUDT-RISCZKNCSA-N 1 1 287.407 3.322 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2(C3CC3)CC2)c1 ZINC000273463114 378748875 /nfs/dbraw/zinc/74/88/75/378748875.db2.gz IKQOENHTAIAGPM-LLVKDONJSA-N 1 1 289.375 3.020 20 10 CGCDMO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3c[nH]nc32)c(O)c1 ZINC000273494487 378750341 /nfs/dbraw/zinc/75/03/41/378750341.db2.gz OVMGHKSGLCFHCS-RISCZKNCSA-N 1 1 271.364 3.152 20 10 CGCDMO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)s1 ZINC000274173268 378787769 /nfs/dbraw/zinc/78/77/69/378787769.db2.gz HXRXISPLXUHJLI-UWVGGRQHSA-N 1 1 277.393 3.272 20 10 CGCDMO Cc1cc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2O)no1 ZINC000371536957 379167279 /nfs/dbraw/zinc/16/72/79/379167279.db2.gz WHXSJBGEBVFTRZ-CQSZACIVSA-N 1 1 276.311 3.165 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC[C@H]2C2CC2)c1O ZINC000371419507 379162556 /nfs/dbraw/zinc/16/25/56/379162556.db2.gz MWIVWSHNEVCCFF-AWEZNQCLSA-N 1 1 261.365 3.165 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1ccc(F)cc1O ZINC000278447608 379389103 /nfs/dbraw/zinc/38/91/03/379389103.db2.gz LDZCGPPVSLPZDR-DOMZBBRYSA-N 1 1 292.398 3.199 20 10 CGCDMO Cc1cccc(C[N@H+]2CCOC[C@@H]2c2ccccc2)c1O ZINC000374998515 379481461 /nfs/dbraw/zinc/48/14/61/379481461.db2.gz NRGRUQODMHAWNO-QGZVFWFLSA-N 1 1 283.371 3.274 20 10 CGCDMO CC[C@@H]([NH2+]CC1(C)CCOCC1)c1ccc(F)cc1O ZINC000286121937 380162805 /nfs/dbraw/zinc/16/28/05/380162805.db2.gz NSDGOQLPHSXTGD-CQSZACIVSA-N 1 1 281.371 3.389 20 10 CGCDMO CC[C@H]([NH2+]CCNc1ccccn1)c1ccc(F)cc1O ZINC000286152998 380167664 /nfs/dbraw/zinc/16/76/64/380167664.db2.gz PLMRFQGZKFYJRR-AWEZNQCLSA-N 1 1 289.354 3.079 20 10 CGCDMO CC[C@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(F)cc1O ZINC000286265267 380186061 /nfs/dbraw/zinc/18/60/61/380186061.db2.gz VCJFDSSZVWWRJD-ZFWWWQNUSA-N 1 1 295.379 3.367 20 10 CGCDMO COc1cccc(C[N@@H+](C)[C@H](C)c2cccc(O)c2)c1O ZINC000093315918 392237278 /nfs/dbraw/zinc/23/72/78/392237278.db2.gz FTZTVLWUPBVRFS-GFCCVEGCSA-N 1 1 287.359 3.299 20 10 CGCDMO CSCC[C@@H](C)[N@@H+](C)Cc1cc(C)ccc1O ZINC000093558904 392239183 /nfs/dbraw/zinc/23/91/83/392239183.db2.gz WCGJAQAQCBIFNJ-GFCCVEGCSA-N 1 1 253.411 3.274 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)[C@H](C)CCSC)c1O ZINC000093558732 392239490 /nfs/dbraw/zinc/23/94/90/392239490.db2.gz OVBXEWCTXRVOEX-GFCCVEGCSA-N 1 1 283.437 3.364 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@@H]2C2CCC2)c1O ZINC000092781093 392232843 /nfs/dbraw/zinc/23/28/43/392232843.db2.gz WJRCMUYEMUGKQX-CQSZACIVSA-N 1 1 261.365 3.165 20 10 CGCDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1O ZINC000109773534 392373036 /nfs/dbraw/zinc/37/30/36/392373036.db2.gz OVBXBDQCVSPLFG-GFCCVEGCSA-N 1 1 286.331 3.493 20 10 CGCDMO CC[N@H+](Cc1c(O)cccc1Cl)C[C@H]1CCCO1 ZINC000132664441 392461341 /nfs/dbraw/zinc/46/13/41/392461341.db2.gz IADGXTKVSHTUAF-LLVKDONJSA-N 1 1 269.772 3.047 20 10 CGCDMO Cc1ccc(O)c([C@H](C)NCC[NH+](C(C)C)C(C)C)c1 ZINC000035628506 172307205 /nfs/dbraw/zinc/30/72/05/172307205.db2.gz XDZRXUQFBOAGIJ-HNNXBMFYSA-N 1 1 278.440 3.470 20 10 CGCDMO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC000130162013 260393032 /nfs/dbraw/zinc/39/30/32/260393032.db2.gz PBWIGZJHVHVKLH-YXJHDRRASA-N 1 1 287.451 3.030 20 10 CGCDMO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC000130162013 260393034 /nfs/dbraw/zinc/39/30/34/260393034.db2.gz PBWIGZJHVHVKLH-YXJHDRRASA-N 1 1 287.451 3.030 20 10 CGCDMO Cc1n[nH]cc1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000155251170 261100066 /nfs/dbraw/zinc/10/00/66/261100066.db2.gz NCBKDTGJLWOWDG-UHFFFAOYSA-N 1 1 298.434 3.340 20 10 CGCDMO C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Cl)ccc1[O-] ZINC000363858951 261971905 /nfs/dbraw/zinc/97/19/05/261971905.db2.gz RWLRCNPBKKELEX-FPMFFAJLSA-N 1 1 294.826 3.323 20 10 CGCDMO C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Cl)ccc1[O-] ZINC000363858951 261971907 /nfs/dbraw/zinc/97/19/07/261971907.db2.gz RWLRCNPBKKELEX-FPMFFAJLSA-N 1 1 294.826 3.323 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC3(C2)CCOCC3)cc1C ZINC000363278851 267083785 /nfs/dbraw/zinc/08/37/85/267083785.db2.gz SNVFCXFRXUPFRO-UHFFFAOYSA-N 1 1 275.392 3.012 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000370720745 267342257 /nfs/dbraw/zinc/34/22/57/267342257.db2.gz ORGJUPXODGBZOW-CYBMUJFWSA-N 1 1 295.810 3.294 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2ccccc2O)c1OC ZINC000091956830 327187938 /nfs/dbraw/zinc/18/79/38/327187938.db2.gz JFZMWXDIYGHVON-UHFFFAOYSA-N 1 1 287.359 3.041 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](Cc2cccnc2)C2CC2)c1 ZINC000290338454 521142580 /nfs/dbraw/zinc/14/25/80/521142580.db2.gz FHICDJVTAMLGLQ-UHFFFAOYSA-N 1 1 298.386 3.351 20 10 CGCDMO CC[N@@H+](Cc1cccc(OC)c1O)[C@@H](C)c1cccnc1 ZINC000290338209 521355198 /nfs/dbraw/zinc/35/51/98/521355198.db2.gz FFGLDCFKFPNHJV-ZDUSSCGKSA-N 1 1 286.375 3.379 20 10 CGCDMO CC[N@H+]1CC[C@@H](N(C)Cc2c(O)cccc2Cl)[C@H](C)C1 ZINC000130492704 521713895 /nfs/dbraw/zinc/71/38/95/521713895.db2.gz PNWUFUDLQWQYJY-IUODEOHRSA-N 1 1 296.842 3.208 20 10 CGCDMO C[N@H+](Cc1cc(C(C)(C)C)on1)Cc1ccccc1O ZINC000278511139 523168821 /nfs/dbraw/zinc/16/88/21/523168821.db2.gz BJHINRGORLMXNI-UHFFFAOYSA-N 1 1 274.364 3.310 20 10 CGCDMO C[N@@H+](Cc1cc(C(C)(C)C)on1)Cc1ccccc1O ZINC000278511139 523168830 /nfs/dbraw/zinc/16/88/30/523168830.db2.gz BJHINRGORLMXNI-UHFFFAOYSA-N 1 1 274.364 3.310 20 10 CGCDMO Cc1cc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)ccc1N(C)C ZINC000293414709 524669253 /nfs/dbraw/zinc/66/92/53/524669253.db2.gz IHIGWFVWABFNEW-INIZCTEOSA-N 1 1 288.435 3.062 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000289843139 524743428 /nfs/dbraw/zinc/74/34/28/524743428.db2.gz PLALOWUYBVKEEB-MRXNPFEDSA-N 1 1 284.359 3.133 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)c1O ZINC000290343743 524863098 /nfs/dbraw/zinc/86/30/98/524863098.db2.gz FQORHXONPRIIBE-IUODEOHRSA-N 1 1 296.842 3.126 20 10 CGCDMO Cc1cc(NCc2ccc(N3CC=CC3)cc2)nc(C)[nH+]1 ZINC000265810875 525279189 /nfs/dbraw/zinc/27/91/89/525279189.db2.gz FMFKFPUDMDDWRW-UHFFFAOYSA-N 1 1 280.375 3.082 20 10 CGCDMO Cc1[nH+]ccn1CCN(C)c1ccc(OC(C)C)cc1 ZINC000277016191 527425360 /nfs/dbraw/zinc/42/53/60/527425360.db2.gz AADHWZUIHBINLX-UHFFFAOYSA-N 1 1 273.380 3.115 20 10 CGCDMO Cc1cnn(CC[N@@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000732204997 572451760 /nfs/dbraw/zinc/45/17/60/572451760.db2.gz XAMGYBLYSAXTHO-UHFFFAOYSA-N 1 1 299.418 3.342 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](CCOCC2CC2)C2CC2)cc1 ZINC000741804349 572531492 /nfs/dbraw/zinc/53/14/92/572531492.db2.gz FDYFIHGQKFUERS-UHFFFAOYSA-N 1 1 288.435 3.144 20 10 CGCDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000742155989 572556971 /nfs/dbraw/zinc/55/69/71/572556971.db2.gz VBXBTDUUDKSOQT-NWDGAFQWSA-N 1 1 277.364 3.131 20 10 CGCDMO COC[C@@H]1CC[N@@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000739873834 572595969 /nfs/dbraw/zinc/59/59/69/572595969.db2.gz JKPDTYCEVXZPRW-CQSZACIVSA-N 1 1 291.435 3.466 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCC(C)(C)O)cc1 ZINC000749795943 573039635 /nfs/dbraw/zinc/03/96/35/573039635.db2.gz NCMNOIAXEXEWHU-UHFFFAOYSA-N 1 1 278.440 3.126 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCCSC1)c1cc(F)cc(F)c1O ZINC000806177923 617818250 /nfs/dbraw/zinc/81/82/50/617818250.db2.gz ABEHEKYLEWRQJV-ZJUUUORDSA-N 1 1 287.375 3.464 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@@H](C)CC2)c(O)c1OC ZINC000891822239 618318803 /nfs/dbraw/zinc/31/88/03/618318803.db2.gz UMWNFXJGDIFXNW-GFCCVEGCSA-N 1 1 279.380 3.031 20 10 CGCDMO COc1ccc(C[N@@H+](C)CC2CCCC2)c(O)c1OC ZINC000891846879 618337470 /nfs/dbraw/zinc/33/74/70/618337470.db2.gz PSBMNNXXQYZTKQ-UHFFFAOYSA-N 1 1 279.380 3.031 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@H]2C(C)(C)C)c(O)c1OC ZINC000891914227 618381185 /nfs/dbraw/zinc/38/11/85/618381185.db2.gz VKMSBZBBXLOHBO-AWEZNQCLSA-N 1 1 293.407 3.420 20 10 CGCDMO Cc1cccc(CNCCC[N@@H+](C)C2CCCCC2)c1O ZINC000158078662 618729188 /nfs/dbraw/zinc/72/91/88/618729188.db2.gz WUFZUGAVLUPTHH-UHFFFAOYSA-N 1 1 290.451 3.445 20 10 CGCDMO Cc1cccc(CNCCC[N@H+](C)C2CCCCC2)c1O ZINC000158078662 618729190 /nfs/dbraw/zinc/72/91/90/618729190.db2.gz WUFZUGAVLUPTHH-UHFFFAOYSA-N 1 1 290.451 3.445 20 10 CGCDMO COc1ccc(C[NH2+]Cc2csc(C)n2)cc1C ZINC000040443885 618964394 /nfs/dbraw/zinc/96/43/94/618964394.db2.gz OBEMAHZCCXWOGQ-UHFFFAOYSA-N 1 1 262.378 3.058 20 10 CGCDMO CC[C@H](C)[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000181116322 619022388 /nfs/dbraw/zinc/02/23/88/619022388.db2.gz SLSKABZNNCWZPX-AWEZNQCLSA-N 1 1 262.397 3.006 20 10 CGCDMO CO[C@@H](C)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000182333801 619035472 /nfs/dbraw/zinc/03/54/72/619035472.db2.gz PWVVEHZSUAQLJW-ZDUSSCGKSA-N 1 1 275.348 3.022 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000840940598 619232618 /nfs/dbraw/zinc/23/26/18/619232618.db2.gz HPBLLUGLXTYXDF-MAUKXSAKSA-N 1 1 290.451 3.186 20 10 CGCDMO CCN(CC)c1ccc(CN[C@H](C)C[N@H+](C)C(C)C)cc1 ZINC000314951434 619238938 /nfs/dbraw/zinc/23/89/38/619238938.db2.gz NWNIIBMLPBKALG-MRXNPFEDSA-N 1 1 291.483 3.351 20 10 CGCDMO CCN(CC)c1ccc(CN[C@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000314951434 619238940 /nfs/dbraw/zinc/23/89/40/619238940.db2.gz NWNIIBMLPBKALG-MRXNPFEDSA-N 1 1 291.483 3.351 20 10 CGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c1[O-] ZINC000925880396 619306097 /nfs/dbraw/zinc/30/60/97/619306097.db2.gz QYGIMGKCQWGLSQ-WZRBSPASSA-N 1 1 282.815 3.132 20 10 CGCDMO COc1cc(C)cc(C[N@@H+]2CCn3cccc3[C@@H]2C)c1O ZINC000893879738 619326512 /nfs/dbraw/zinc/32/65/12/619326512.db2.gz IMQSAJGDOXKMCH-ZDUSSCGKSA-N 1 1 286.375 3.088 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCn3cccc3[C@@H]2C)c1O ZINC000893879738 619326514 /nfs/dbraw/zinc/32/65/14/619326514.db2.gz IMQSAJGDOXKMCH-ZDUSSCGKSA-N 1 1 286.375 3.088 20 10 CGCDMO CSc1ccc(C[N@@H+](C)Cc2ccccc2O)o1 ZINC000893961643 619337593 /nfs/dbraw/zinc/33/75/93/619337593.db2.gz HTFFJLJQWNSMBV-UHFFFAOYSA-N 1 1 263.362 3.339 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](C)Cc2cccc(N(C)C)c2)c1 ZINC000093863594 619648116 /nfs/dbraw/zinc/64/81/16/619648116.db2.gz RMVLLEQNKQEGJE-UHFFFAOYSA-N 1 1 284.403 3.399 20 10 CGCDMO C[C@H](CCNCc1ccc(N2CCCCC2)cc1)[NH+](C)C ZINC000895300363 619800117 /nfs/dbraw/zinc/80/01/17/619800117.db2.gz UYUJINZLHPYFDT-MRXNPFEDSA-N 1 1 289.467 3.107 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH+]1CCC(CCF)CC1 ZINC000895440273 619830028 /nfs/dbraw/zinc/83/00/28/619830028.db2.gz SHMYZQIPWBDHRH-UHFFFAOYSA-N 1 1 273.298 3.242 20 10 CGCDMO COc1ccc(C[NH2+]Cc2c(O)cccc2F)cc1C ZINC000896642539 620040001 /nfs/dbraw/zinc/04/00/01/620040001.db2.gz ZQESMNKKJDSLPP-UHFFFAOYSA-N 1 1 275.323 3.138 20 10 CGCDMO C[C@@H](CCC(F)(F)F)[NH2+]Cc1c(O)cccc1F ZINC000896638591 620041336 /nfs/dbraw/zinc/04/13/36/620041336.db2.gz VZZIEOBQLPZMCF-QMMMGPOBSA-N 1 1 265.250 3.352 20 10 CGCDMO CS[C@H]1CCC[C@@H]([NH2+]Cc2c(O)cccc2F)C1 ZINC000896640057 620041518 /nfs/dbraw/zinc/04/15/18/620041518.db2.gz OQHCHSXGHVXNPT-MNOVXSKESA-N 1 1 269.385 3.295 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c1 ZINC000896793642 620064224 /nfs/dbraw/zinc/06/42/24/620064224.db2.gz DLYZLIUEPOJPDW-ROUUACIJSA-N 1 1 294.398 3.164 20 10 CGCDMO CCCCC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000072981070 625399656 /nfs/dbraw/zinc/39/96/56/625399656.db2.gz ASYXSXXMCAZFDK-UHFFFAOYSA-N 1 1 276.424 3.145 20 10 CGCDMO CC[C@@H]([NH2+]CCOC(F)(F)F)c1ccc(F)cc1O ZINC000796960378 620170506 /nfs/dbraw/zinc/17/05/06/620170506.db2.gz GCTFDLIIWGYWJD-SNVBAGLBSA-N 1 1 281.249 3.108 20 10 CGCDMO CCCC[N@H+](C)CCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000163500814 620403447 /nfs/dbraw/zinc/40/34/47/620403447.db2.gz ZYSGBSXCAMOJRV-HNNXBMFYSA-N 1 1 277.456 3.135 20 10 CGCDMO CCCC[N@@H+](C)CCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000163500814 620403448 /nfs/dbraw/zinc/40/34/48/620403448.db2.gz ZYSGBSXCAMOJRV-HNNXBMFYSA-N 1 1 277.456 3.135 20 10 CGCDMO Oc1ccc(F)cc1CNc1ccc(C2CC2)c[nH+]1 ZINC000897712786 620422355 /nfs/dbraw/zinc/42/23/55/620422355.db2.gz UKDVGZIWBMTVEZ-UHFFFAOYSA-N 1 1 258.296 3.416 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@]3(CCOC3)C2)cc1C(C)C ZINC000151284736 622762423 /nfs/dbraw/zinc/76/24/23/622762423.db2.gz VBJWMLAAQIEAFN-GOSISDBHSA-N 1 1 289.419 3.436 20 10 CGCDMO CCOC[C@H]1CCC[N@@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164332944 622828112 /nfs/dbraw/zinc/82/81/12/622828112.db2.gz QZIIDVAASJWJLH-HNNXBMFYSA-N 1 1 277.408 3.258 20 10 CGCDMO CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)cc(C)c2O)C1 ZINC000164424369 622834985 /nfs/dbraw/zinc/83/49/85/622834985.db2.gz BVLVDDZUVNTWKS-MRXNPFEDSA-N 1 1 290.451 3.173 20 10 CGCDMO CC[N@@H+](Cc1ccccn1)Cc1cc(C)cc(C)c1O ZINC000164471736 622836979 /nfs/dbraw/zinc/83/69/79/622836979.db2.gz PZFOHGOVMYEPAU-UHFFFAOYSA-N 1 1 270.376 3.426 20 10 CGCDMO Cc1cc(C[N@@H+]2CCOC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000046477895 622976118 /nfs/dbraw/zinc/97/61/18/622976118.db2.gz AQTVQAZHNCFBIF-CYBMUJFWSA-N 1 1 277.408 3.219 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(OC)n1 ZINC000171859295 623194244 /nfs/dbraw/zinc/19/42/44/623194244.db2.gz MNSKQCFDEPTCJF-UHFFFAOYSA-N 1 1 299.418 3.178 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)Cc2cccc(F)c2)c1O ZINC000915808526 624032972 /nfs/dbraw/zinc/03/29/72/624032972.db2.gz XZIDYNBQNQFTGY-UHFFFAOYSA-N 1 1 289.350 3.480 20 10 CGCDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C1CCOCC1 ZINC000154919959 624393036 /nfs/dbraw/zinc/39/30/36/624393036.db2.gz IROUJUVJBVXBGR-UHFFFAOYSA-N 1 1 276.424 3.142 20 10 CGCDMO COCCC[N@@H+](C)Cc1cc(C(C)C)c(C)cc1O ZINC000921187377 624571925 /nfs/dbraw/zinc/57/19/25/624571925.db2.gz OKRLENSBIRFYTH-UHFFFAOYSA-N 1 1 265.397 3.292 20 10 CGCDMO C[N@H+](Cc1cc(F)ccc1O)Cc1ccccc1[N+](=O)[O-] ZINC000179933422 624697789 /nfs/dbraw/zinc/69/77/89/624697789.db2.gz KJKVDZCDSSXFOI-UHFFFAOYSA-N 1 1 290.294 3.072 20 10 CGCDMO C[N@@H+](Cc1cc(F)ccc1O)Cc1ccccc1[N+](=O)[O-] ZINC000179933422 624697790 /nfs/dbraw/zinc/69/77/90/624697790.db2.gz KJKVDZCDSSXFOI-UHFFFAOYSA-N 1 1 290.294 3.072 20 10 CGCDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000124573368 634428781 /nfs/dbraw/zinc/42/87/81/634428781.db2.gz GFZVNZNTYVLOJA-QMTHXVAHSA-N 1 1 279.355 3.497 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000184247167 625213203 /nfs/dbraw/zinc/21/32/03/625213203.db2.gz GSDQKDUPSVDMCT-SFHVURJKSA-N 1 1 297.398 3.226 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000840818951 626329901 /nfs/dbraw/zinc/32/99/01/626329901.db2.gz DPGXIFSFBMCOAS-IDTSFGKNSA-N 1 1 289.375 3.018 20 10 CGCDMO CCC[C@@H](C)[N@@H+](C)Cc1cc(C)cc(OC)c1O ZINC000754726523 626585057 /nfs/dbraw/zinc/58/50/57/626585057.db2.gz QJUTWZVHYTWWOE-GFCCVEGCSA-N 1 1 251.370 3.330 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)CC(C)(C)COC ZINC000756078727 626675218 /nfs/dbraw/zinc/67/52/18/626675218.db2.gz IOYUHYCUTIQOST-UHFFFAOYSA-N 1 1 265.397 3.277 20 10 CGCDMO CCCCOCC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756503424 626710564 /nfs/dbraw/zinc/71/05/64/626710564.db2.gz LJEQJRMZJRKDQJ-JTQLQIEISA-N 1 1 273.323 3.138 20 10 CGCDMO CC[N@H+](CCN[C@@H](C)c1cc(C)ccc1O)C(C)C ZINC000756526173 626712112 /nfs/dbraw/zinc/71/21/12/626712112.db2.gz SYTSFKOTQMFBNO-AWEZNQCLSA-N 1 1 264.413 3.082 20 10 CGCDMO CC[N@@H+](CCN[C@@H](C)c1cc(C)ccc1O)C(C)C ZINC000756526173 626712114 /nfs/dbraw/zinc/71/21/14/626712114.db2.gz SYTSFKOTQMFBNO-AWEZNQCLSA-N 1 1 264.413 3.082 20 10 CGCDMO Cc1ccnc(C[N@@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000756531079 626712554 /nfs/dbraw/zinc/71/25/54/626712554.db2.gz FMHKUDPFQCYZAU-UHFFFAOYSA-N 1 1 297.402 3.435 20 10 CGCDMO CC[NH+]1CCC(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000756535959 626713435 /nfs/dbraw/zinc/71/34/35/626713435.db2.gz SVIHRCMXHBXLTK-GFCCVEGCSA-N 1 1 296.842 3.428 20 10 CGCDMO C[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1cc(F)cc(F)c1O ZINC000756595913 626719289 /nfs/dbraw/zinc/71/92/89/626719289.db2.gz ZYFDTRIAPSBGAB-ISVAXAHUSA-N 1 1 299.342 3.116 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ccc[nH]1 ZINC000756784456 626731922 /nfs/dbraw/zinc/73/19/22/626731922.db2.gz NLITVJYYRRXMJA-DTWKUNHWSA-N 1 1 266.291 3.410 20 10 CGCDMO Cc1nnc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)s1 ZINC000757637205 626796314 /nfs/dbraw/zinc/79/63/14/626796314.db2.gz GJDFLDVKBSJNEQ-GMSGAONNSA-N 1 1 293.367 3.029 20 10 CGCDMO CCCCCC[C@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000759391382 626893577 /nfs/dbraw/zinc/89/35/77/626893577.db2.gz XTNSVEQYINLXTI-HNNXBMFYSA-N 1 1 265.397 3.155 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000768196425 627468338 /nfs/dbraw/zinc/46/83/38/627468338.db2.gz CYRRRXPNILNXJJ-OAHLLOKOSA-N 1 1 286.375 3.076 20 10 CGCDMO COc1cc(C[N@@H+](CC2CC2)C(C)C)c(O)cc1C ZINC000768440452 627480884 /nfs/dbraw/zinc/48/08/84/627480884.db2.gz WHGFVYKYXUGTLX-UHFFFAOYSA-N 1 1 263.381 3.330 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](CCOC)C2CCCC2)c1 ZINC000768580111 627487949 /nfs/dbraw/zinc/48/79/49/627487949.db2.gz IJKUUOROVQTZED-UHFFFAOYSA-N 1 1 293.407 3.182 20 10 CGCDMO CC[C@@H]1COCC[N@H+]1Cc1ccc(N(CC)CC)cc1 ZINC000768882157 627505984 /nfs/dbraw/zinc/50/59/84/627505984.db2.gz RJQUUMYJKNQYHK-MRXNPFEDSA-N 1 1 276.424 3.144 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)C2Cc3ccccc3C2)cc1F ZINC000769034448 627519027 /nfs/dbraw/zinc/51/90/27/627519027.db2.gz QCVSBKVJXCMJHY-UHFFFAOYSA-N 1 1 298.405 3.491 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC2(C)C)cc1F ZINC000769246266 627533224 /nfs/dbraw/zinc/53/32/24/627533224.db2.gz YWUXCNWPZKPZEE-UHFFFAOYSA-N 1 1 250.361 3.266 20 10 CGCDMO CCCC[N@@H+](CCOC)Cc1ccc(OCC)cc1O ZINC000769389196 627547568 /nfs/dbraw/zinc/54/75/68/627547568.db2.gz LCNOEVWSVNOHSC-UHFFFAOYSA-N 1 1 281.396 3.039 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCS[C@H](C)[C@H]2C)c(O)c1 ZINC000769445575 627552862 /nfs/dbraw/zinc/55/28/62/627552862.db2.gz GUFZBRUUUHZWOD-VXGBXAGGSA-N 1 1 281.421 3.117 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000769485675 627559515 /nfs/dbraw/zinc/55/95/15/627559515.db2.gz NNDNXRAEMNCQEU-INIZCTEOSA-N 1 1 295.810 3.438 20 10 CGCDMO CC[C@]1(C)CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000769519262 627562605 /nfs/dbraw/zinc/56/26/05/627562605.db2.gz NRJZAWSGENUKGS-GOSISDBHSA-N 1 1 288.435 3.145 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)CC12CCC2 ZINC000770671032 627636293 /nfs/dbraw/zinc/63/62/93/627636293.db2.gz WMBGPSCWTGMZHS-GFCCVEGCSA-N 1 1 289.375 3.133 20 10 CGCDMO CCC[N@H+](Cc1ccc(OCC)cc1O)CC1CC1 ZINC000771925067 627745037 /nfs/dbraw/zinc/74/50/37/627745037.db2.gz WFQYWUVNWRVQKJ-UHFFFAOYSA-N 1 1 263.381 3.413 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](OCC(C)C)C2)cc1 ZINC000773766737 627913639 /nfs/dbraw/zinc/91/36/39/627913639.db2.gz VBQHIWDZWPHEFH-GOSISDBHSA-N 1 1 290.451 3.390 20 10 CGCDMO COc1c(O)c(C[NH2+]C[C@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000775015678 628053886 /nfs/dbraw/zinc/05/38/86/628053886.db2.gz VKRXBXBEUKGJKG-JTQLQIEISA-N 1 1 296.367 3.081 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+](C)C[C@H]2CCCCO2)c1O ZINC000775661959 628122275 /nfs/dbraw/zinc/12/22/75/628122275.db2.gz SJFVAKNJDIGEEB-CQSZACIVSA-N 1 1 283.799 3.355 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCCC[C@H](C)C2)c1 ZINC000775998788 628156857 /nfs/dbraw/zinc/15/68/57/628156857.db2.gz SQBBMWVYBIPEFS-ZDUSSCGKSA-N 1 1 263.381 3.413 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCOCC3(CCCC3)C2)cc1 ZINC000776017228 628158407 /nfs/dbraw/zinc/15/84/07/628158407.db2.gz LKIBITVFXBFNFV-UHFFFAOYSA-N 1 1 288.435 3.145 20 10 CGCDMO C[N@@H+](Cc1ccsc1)Cc1cc(F)ccc1O ZINC000778994814 628381726 /nfs/dbraw/zinc/38/17/26/628381726.db2.gz NHOVGABIBWNCEM-UHFFFAOYSA-N 1 1 251.326 3.225 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000779026124 628384387 /nfs/dbraw/zinc/38/43/87/628384387.db2.gz TVBYIBIGVMCBGI-UHFFFAOYSA-N 1 1 293.382 3.457 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cnoc2C)cc1 ZINC000782475260 628649190 /nfs/dbraw/zinc/64/91/90/628649190.db2.gz YJEGFFDXTIRNSO-UHFFFAOYSA-N 1 1 287.407 3.461 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2CC(C)(C)C2)c1 ZINC000783310012 628702467 /nfs/dbraw/zinc/70/24/67/628702467.db2.gz KYRBLZGHDSPIAA-NSHDSACASA-N 1 1 291.391 3.266 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](CCO)C2CCC2)cc1F ZINC000784674362 628828997 /nfs/dbraw/zinc/82/89/97/628828997.db2.gz ZKGHNWYRRROOAT-UHFFFAOYSA-N 1 1 294.414 3.019 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@H]1CCC2(CCCC2)O1 ZINC000788494679 629059334 /nfs/dbraw/zinc/05/93/34/629059334.db2.gz REICYSXYLQFXNO-OAHLLOKOSA-N 1 1 275.392 3.316 20 10 CGCDMO C[C@@H]([NH2+]CCC(C)(C)O)c1cccc(C(F)(F)F)c1O ZINC000788753601 629078950 /nfs/dbraw/zinc/07/89/50/629078950.db2.gz LRDYTBDRNZPOHI-SECBINFHSA-N 1 1 291.313 3.223 20 10 CGCDMO C[C@@H]([NH2+]CCC[C@H](C)O)c1cccc(C(F)(F)F)c1O ZINC000788796287 629082822 /nfs/dbraw/zinc/08/28/22/629082822.db2.gz FBCOTCWYARCWBF-VHSXEESVSA-N 1 1 291.313 3.223 20 10 CGCDMO C[C@H]1CC[C@@H](C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)O1 ZINC000789310337 629122916 /nfs/dbraw/zinc/12/29/16/629122916.db2.gz QQANSLVRCLYVTH-KSSFIOAISA-N 1 1 288.435 3.285 20 10 CGCDMO CC1(C)C[C@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790959204 629243614 /nfs/dbraw/zinc/24/36/14/629243614.db2.gz XBSDYPHEVVTHKC-QMMMGPOBSA-N 1 1 257.736 3.320 20 10 CGCDMO CCC1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000790975073 629245008 /nfs/dbraw/zinc/24/50/08/629245008.db2.gz ZWGPWUQUNKQACB-UHFFFAOYSA-N 1 1 257.736 3.465 20 10 CGCDMO CC1(C)CC[C@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)O1 ZINC000790987433 629246904 /nfs/dbraw/zinc/24/69/04/629246904.db2.gz DNKZEFBUVAKVJW-SECBINFHSA-N 1 1 287.762 3.232 20 10 CGCDMO C[N@H+](CCC1CC1)Cc1c(O)ccc(Cl)c1F ZINC000792172612 629344095 /nfs/dbraw/zinc/34/40/95/629344095.db2.gz HMBURBUPABRIRJ-UHFFFAOYSA-N 1 1 257.736 3.417 20 10 CGCDMO C[N@@H+](CCC1CC1)Cc1c(O)ccc(Cl)c1F ZINC000792172612 629344101 /nfs/dbraw/zinc/34/41/01/629344101.db2.gz HMBURBUPABRIRJ-UHFFFAOYSA-N 1 1 257.736 3.417 20 10 CGCDMO COCC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CC[C@H](C)C1 ZINC000792192129 629346741 /nfs/dbraw/zinc/34/67/41/629346741.db2.gz DMHYNSICWAYVBD-MAUKXSAKSA-N 1 1 290.451 3.390 20 10 CGCDMO COCC[N@@H+](Cc1cccc(C)c1O)[C@@H]1CC[C@@H](C)C1 ZINC000792193160 629347913 /nfs/dbraw/zinc/34/79/13/629347913.db2.gz RJRSIYRTKQGJRG-CZUORRHYSA-N 1 1 277.408 3.338 20 10 CGCDMO COCC[N@@H+](Cc1cc(F)ccc1O)[C@@H]1CC[C@@H](C)C1 ZINC000792193369 629348023 /nfs/dbraw/zinc/34/80/23/629348023.db2.gz UGEMSEPBASZKTI-IUODEOHRSA-N 1 1 281.371 3.168 20 10 CGCDMO COC[C@@H]1CCCC[N@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862390130 629360082 /nfs/dbraw/zinc/36/00/82/629360082.db2.gz BDNURPLQWAWBAR-ZDUSSCGKSA-N 1 1 298.377 3.032 20 10 CGCDMO Cc1cccc(C[N@H+]2CCOc3cc(F)ccc3C2)c1O ZINC000862549589 629401227 /nfs/dbraw/zinc/40/12/27/629401227.db2.gz BAKKBKBVVKQHDS-UHFFFAOYSA-N 1 1 287.334 3.234 20 10 CGCDMO CC(C)[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000118964173 629408279 /nfs/dbraw/zinc/40/82/79/629408279.db2.gz WKZDMIYSQNAEOI-ZDUSSCGKSA-N 1 1 277.364 3.131 20 10 CGCDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCC(C)(C)C1 ZINC000793352749 629446766 /nfs/dbraw/zinc/44/67/66/629446766.db2.gz NFESZUAOSKOOQF-GFCCVEGCSA-N 1 1 277.364 3.131 20 10 CGCDMO Cc1cc(Cn2cc[nH+]c2C2CC2)ccc1N(C)C ZINC000863384897 629555371 /nfs/dbraw/zinc/55/53/71/629555371.db2.gz DSGGFFFRSQSXOM-UHFFFAOYSA-N 1 1 255.365 3.183 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CC[C@@H](C)NC1)c1cc2c(cc1O)CCCC2 ZINC000863546681 629603948 /nfs/dbraw/zinc/60/39/48/629603948.db2.gz MVRVIHNMCHEBDS-DVOMOZLQSA-N 1 1 288.435 3.062 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCCC[C@H]1c1cc[nH]n1)CCC2 ZINC000795673051 629708506 /nfs/dbraw/zinc/70/85/06/629708506.db2.gz RAZFZHREJKVXNH-KRWDZBQOSA-N 1 1 297.402 3.331 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CCC[C@@H]1OC)c1ccc(F)cc1O ZINC000796856712 629849161 /nfs/dbraw/zinc/84/91/61/629849161.db2.gz WSLFGFFDMAMPND-WPGHFRTFSA-N 1 1 281.371 3.387 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC000798965609 630131589 /nfs/dbraw/zinc/13/15/89/630131589.db2.gz VJSGHRNLOMHNPD-AWEZNQCLSA-N 1 1 298.386 3.175 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)CCCO1 ZINC000799161553 630151182 /nfs/dbraw/zinc/15/11/82/630151182.db2.gz ASVWOXKZXJZMTO-QGZVFWFLSA-N 1 1 289.419 3.272 20 10 CGCDMO CCCC[N@@H+](CCC[C@H](C)O)Cc1ccccc1O ZINC000801595153 630346329 /nfs/dbraw/zinc/34/63/29/630346329.db2.gz WNQFDIVJCBLEKG-AWEZNQCLSA-N 1 1 265.397 3.155 20 10 CGCDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@H](F)C3)c2c1 ZINC000840103779 630595006 /nfs/dbraw/zinc/59/50/06/630595006.db2.gz FOSAHVFEUAIDBB-LBPRGKRZSA-N 1 1 275.323 3.098 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H](O)C(C)(C)C)cc1 ZINC000808706746 630667927 /nfs/dbraw/zinc/66/79/27/630667927.db2.gz STMGGDJLKSVUHC-KRWDZBQOSA-N 1 1 292.467 3.372 20 10 CGCDMO Cc1noc([C@@H]2CCCC[N@H+]2Cc2cccc(C)c2O)n1 ZINC000809718885 630791269 /nfs/dbraw/zinc/79/12/69/630791269.db2.gz QZJNJEPTZNVLKW-AWEZNQCLSA-N 1 1 287.363 3.119 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@@H](CO)CC(C)C)cc1 ZINC000809766921 630801874 /nfs/dbraw/zinc/80/18/74/630801874.db2.gz CBAHNDZYUSPMDY-GOSISDBHSA-N 1 1 292.467 3.372 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000809786931 630809030 /nfs/dbraw/zinc/80/90/30/630809030.db2.gz OQPDAJUJGHTTGM-AWEZNQCLSA-N 1 1 275.392 3.413 20 10 CGCDMO CCC[N@H+](CC)C[C@@H](C)N[C@@H](C)c1ccc(C)cc1O ZINC000810261277 630861081 /nfs/dbraw/zinc/86/10/81/630861081.db2.gz IUAKAQZYUWNTLT-CABCVRRESA-N 1 1 278.440 3.472 20 10 CGCDMO CCC[N@@H+](CC)C[C@@H](C)N[C@@H](C)c1ccc(C)cc1O ZINC000810261277 630861084 /nfs/dbraw/zinc/86/10/84/630861084.db2.gz IUAKAQZYUWNTLT-CABCVRRESA-N 1 1 278.440 3.472 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC(F)(F)[C@H](C)C2)c(O)c1 ZINC000811512278 631080443 /nfs/dbraw/zinc/08/04/43/631080443.db2.gz JZEYRWNBAJZUKK-LLVKDONJSA-N 1 1 285.334 3.268 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC(F)(F)[C@H](C)C2)c1 ZINC000811781132 631119682 /nfs/dbraw/zinc/11/96/82/631119682.db2.gz UZKBRLCYARXNCS-GFCCVEGCSA-N 1 1 269.335 3.486 20 10 CGCDMO CC1(C)[C@@H](O)CC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000812778066 631307167 /nfs/dbraw/zinc/30/71/67/631307167.db2.gz AQBOEEIGXXNSIV-SFHVURJKSA-N 1 1 297.398 3.404 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)CC1(COC)CCC1 ZINC000812822788 631320171 /nfs/dbraw/zinc/32/01/71/631320171.db2.gz FPPUNOIKBQCYTB-UHFFFAOYSA-N 1 1 290.451 3.391 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000876534902 634853047 /nfs/dbraw/zinc/85/30/47/634853047.db2.gz HZBSMTYADMJNCC-LLVKDONJSA-N 1 1 273.298 3.475 20 10 CGCDMO CC[C@]1(C)COCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815078805 631712448 /nfs/dbraw/zinc/71/24/48/631712448.db2.gz GYIHTWDHIIMAME-QGZVFWFLSA-N 1 1 276.424 3.062 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@H](OC(F)F)C2)ccc1N(C)C ZINC000815085896 631713626 /nfs/dbraw/zinc/71/36/26/631713626.db2.gz FDSWPONGARNZBD-AWEZNQCLSA-N 1 1 298.377 3.265 20 10 CGCDMO COc1ccc(F)c(CNc2ccc3c(c2)[nH+]cn3C)c1 ZINC000815132389 631726475 /nfs/dbraw/zinc/72/64/75/631726475.db2.gz VQMCEGNYAHHJFQ-UHFFFAOYSA-N 1 1 285.322 3.333 20 10 CGCDMO Cc1n[nH]cc1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815595169 631802169 /nfs/dbraw/zinc/80/21/69/631802169.db2.gz JFCUVEKFWFUZJR-SECBINFHSA-N 1 1 299.296 3.293 20 10 CGCDMO C[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815615871 631807008 /nfs/dbraw/zinc/80/70/08/631807008.db2.gz ZPUJCFOPUWFXEC-UTLUCORTSA-N 1 1 291.313 3.221 20 10 CGCDMO CC[C@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)OC ZINC000815628060 631808641 /nfs/dbraw/zinc/80/86/41/631808641.db2.gz QJWSQBVUZWCLFQ-NXEZZACHSA-N 1 1 291.313 3.487 20 10 CGCDMO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815627847 631808740 /nfs/dbraw/zinc/80/87/40/631808740.db2.gz LDNLDKZTKWTVFZ-UTLUCORTSA-N 1 1 291.313 3.485 20 10 CGCDMO C[N@@H+](Cc1ccc2ccccc2c1O)[C@@H]1CCSC1 ZINC000816485469 631991459 /nfs/dbraw/zinc/99/14/59/631991459.db2.gz NZVWHLZPNTUPAW-CQSZACIVSA-N 1 1 273.401 3.483 20 10 CGCDMO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc2ccccc2c1O ZINC000816513205 632001034 /nfs/dbraw/zinc/00/10/34/632001034.db2.gz JWKZZCFUQSCTMM-BBRMVZONSA-N 1 1 285.387 3.281 20 10 CGCDMO C[C@@H](Cc1ccco1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816532812 632006013 /nfs/dbraw/zinc/00/60/13/632006013.db2.gz WFYSKOLHXBGIIC-VIFPVBQESA-N 1 1 283.730 3.499 20 10 CGCDMO C[C@@H]1CSC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816609311 632023767 /nfs/dbraw/zinc/02/37/67/632023767.db2.gz XMBUIURXGDZJEI-HQJQHLMTSA-N 1 1 275.776 3.026 20 10 CGCDMO CC(C)(C)C1CC([NH2+]Cc2cccc(F)c2O)C1 ZINC000816641713 632030702 /nfs/dbraw/zinc/03/07/02/632030702.db2.gz CPGKRJADVFFYJG-UHFFFAOYSA-N 1 1 251.345 3.446 20 10 CGCDMO Cc1cc(Br)cc(C[N@@H+]2C[C@H](C)[C@@H]2C)c1O ZINC000816649143 632038125 /nfs/dbraw/zinc/03/81/25/632038125.db2.gz UXEJVHGBRYHYJZ-UWVGGRQHSA-N 1 1 284.197 3.303 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](CCO)CC2)cc1 ZINC000817297706 632118811 /nfs/dbraw/zinc/11/88/11/632118811.db2.gz VEQBSGONWVCLBR-MRXNPFEDSA-N 1 1 290.451 3.127 20 10 CGCDMO COc1cccc(C[N@@H+](C)C2CC(OC(C)(C)C)C2)c1O ZINC000817415918 632146921 /nfs/dbraw/zinc/14/69/21/632146921.db2.gz AISMUGRLRLBBIK-UHFFFAOYSA-N 1 1 293.407 3.179 20 10 CGCDMO Cc1ccccc1[C@@H](C)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938288 632237168 /nfs/dbraw/zinc/23/71/68/632237168.db2.gz IIMNJBXDQSZODJ-BEFAXECRSA-N 1 1 297.446 3.412 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@H]1CCC[NH2+]C1 ZINC000817948343 632245434 /nfs/dbraw/zinc/24/54/34/632245434.db2.gz YFEWNZIYISPAFW-WOPDTQHZSA-N 1 1 282.815 3.084 20 10 CGCDMO CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1cccc(Cl)c1[O-] ZINC000817968187 632261731 /nfs/dbraw/zinc/26/17/31/632261731.db2.gz HEIGYIBZZVSCBQ-SWHYSGLUSA-N 1 1 282.815 3.084 20 10 CGCDMO C[C@@H](N[C@@H](C)c1ccc(N2CCCCCC2)cc1)[C@H](C)[NH3+] ZINC000817977416 632268859 /nfs/dbraw/zinc/26/88/59/632268859.db2.gz JXKAGNRYEMMINW-XHSDSOJGSA-N 1 1 289.467 3.453 20 10 CGCDMO Cc1cccc(C[N@H+](C)C[C@](C)(O)c2ccccc2)c1O ZINC000822516812 632954835 /nfs/dbraw/zinc/95/48/35/632954835.db2.gz QLIGTZSVJTZQIG-SFHVURJKSA-N 1 1 285.387 3.040 20 10 CGCDMO C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cc(F)ccc1[O-] ZINC000866517790 633171136 /nfs/dbraw/zinc/17/11/36/633171136.db2.gz MUNRPRBJMUQRMI-RFSCMCKOSA-N 1 1 294.414 3.445 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000824696970 633274360 /nfs/dbraw/zinc/27/43/60/633274360.db2.gz WKDPZERVEBFOEC-JFIYKMOQSA-N 1 1 289.419 3.216 20 10 CGCDMO COc1cccc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c1O ZINC000824941362 633308983 /nfs/dbraw/zinc/30/89/83/633308983.db2.gz MSMRTWKOTJUFLN-ZBFHGGJFSA-N 1 1 273.376 3.021 20 10 CGCDMO CCOc1ccc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c(O)c1 ZINC000824941147 633309068 /nfs/dbraw/zinc/30/90/68/633309068.db2.gz JSRPWJGGZBDIKI-AEFFLSMTSA-N 1 1 287.403 3.411 20 10 CGCDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C)c2O)C12CCC2 ZINC000825104336 633329363 /nfs/dbraw/zinc/32/93/63/633329363.db2.gz UHMCHVYQKFAOOO-HUUCEWRRSA-N 1 1 275.392 3.090 20 10 CGCDMO Cc1cc([O-])c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000825122064 633330860 /nfs/dbraw/zinc/33/08/60/633330860.db2.gz WKZDEKJXNSVPCH-KGLIPLIRSA-N 1 1 294.826 3.070 20 10 CGCDMO Cc1cc([O-])c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000825122064 633330863 /nfs/dbraw/zinc/33/08/63/633330863.db2.gz WKZDEKJXNSVPCH-KGLIPLIRSA-N 1 1 294.826 3.070 20 10 CGCDMO Cc1cc(C)c(C[NH2+]Cc2c(O)ccc(Cl)c2F)cn1 ZINC000825221377 633336771 /nfs/dbraw/zinc/33/67/71/633336771.db2.gz KGEOKRSPXLCSAH-UHFFFAOYSA-N 1 1 294.757 3.486 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c1O ZINC000825331541 633347208 /nfs/dbraw/zinc/34/72/08/633347208.db2.gz IMLXIUUHECXXEF-KGLIPLIRSA-N 1 1 295.810 3.211 20 10 CGCDMO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000826910509 633443308 /nfs/dbraw/zinc/44/33/08/633443308.db2.gz JHTKREDALPESQD-SNVBAGLBSA-N 1 1 296.367 3.223 20 10 CGCDMO C[C@@]12COC[C@H]1C[N@@H+](Cc1ccc3ccccc3c1O)C2 ZINC000827284941 633478691 /nfs/dbraw/zinc/47/86/91/633478691.db2.gz WZDFZJHZOVXGCH-CRAIPNDOSA-N 1 1 283.371 3.014 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000827377134 633487404 /nfs/dbraw/zinc/48/74/04/633487404.db2.gz QIIRNKIGZBRFTL-NVXWUHKLSA-N 1 1 275.392 3.173 20 10 CGCDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCC2(COC2)C1 ZINC000827644820 633505875 /nfs/dbraw/zinc/50/58/75/633505875.db2.gz RXKJLNITEPIRBP-UHFFFAOYSA-N 1 1 295.382 3.282 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@@H](c3cccnc3)C2)ccc1N(C)C ZINC000829522363 633746665 /nfs/dbraw/zinc/74/66/65/633746665.db2.gz FHGDCVSYEXKMNW-GOSISDBHSA-N 1 1 295.430 3.446 20 10 CGCDMO CC[N@@H+](Cc1ccc(N2CCCCC2)c(C)c1)[C@H](C)CO ZINC000829985448 633814309 /nfs/dbraw/zinc/81/43/09/633814309.db2.gz PKNJBRSGXMQZQB-MRXNPFEDSA-N 1 1 290.451 3.188 20 10 CGCDMO C[C@H]1Cc2[nH+]cn(Cc3ccc(N(C)C)cc3)c2C[C@@H]1C ZINC000830918589 633897972 /nfs/dbraw/zinc/89/79/72/633897972.db2.gz GCMLVKDJKUHDHM-KBPBESRZSA-N 1 1 283.419 3.368 20 10 CGCDMO COc1cccc([C@H](C)[NH2+]Cc2ncc(Cl)s2)c1O ZINC000872112096 634037071 /nfs/dbraw/zinc/03/70/71/634037071.db2.gz HKRMTDYSVGSDJK-QMMMGPOBSA-N 1 1 298.795 3.362 20 10 CGCDMO CCn1cc([C@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2O)cn1 ZINC000834904076 634281418 /nfs/dbraw/zinc/28/14/18/634281418.db2.gz MQMVXYJZJMAMDX-VHSXEESVSA-N 1 1 295.333 3.299 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cc(N)cc(F)c1)c1ccc(F)cc1O ZINC000873291525 634323189 /nfs/dbraw/zinc/32/31/89/634323189.db2.gz WUFIQNXRLZQILJ-OAHLLOKOSA-N 1 1 292.329 3.494 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)Cc2ccccn2)cc1 ZINC000835048528 634334633 /nfs/dbraw/zinc/33/46/33/634334633.db2.gz TZLQYKBDTYZSCN-SREVYHEPSA-N 1 1 281.403 3.293 20 10 CGCDMO CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)CCC[NH+](C)C ZINC000835054148 634337839 /nfs/dbraw/zinc/33/78/39/634337839.db2.gz RLCCEBQXGVDCRK-CLFYSBASSA-N 1 1 289.467 3.039 20 10 CGCDMO CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)CCC[NH+](C)C ZINC000835054148 634337846 /nfs/dbraw/zinc/33/78/46/634337846.db2.gz RLCCEBQXGVDCRK-CLFYSBASSA-N 1 1 289.467 3.039 20 10 CGCDMO CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)CCCN(C)C ZINC000835054148 634337852 /nfs/dbraw/zinc/33/78/52/634337852.db2.gz RLCCEBQXGVDCRK-CLFYSBASSA-N 1 1 289.467 3.039 20 10 CGCDMO CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)CCCN(C)C ZINC000835054148 634337858 /nfs/dbraw/zinc/33/78/58/634337858.db2.gz RLCCEBQXGVDCRK-CLFYSBASSA-N 1 1 289.467 3.039 20 10 CGCDMO Cc1ccc(C[N@H+]2CCc3sccc3C2)c(O)c1 ZINC000876559035 634857137 /nfs/dbraw/zinc/85/71/37/634857137.db2.gz SELJLKXXNFCMJY-UHFFFAOYSA-N 1 1 259.374 3.320 20 10 CGCDMO Cc1cccc(O)c1C[N@H+](Cc1ccccc1)C[C@H](C)O ZINC000876618761 634868424 /nfs/dbraw/zinc/86/84/24/634868424.db2.gz FDGGCGKTFPKSFJ-HNNXBMFYSA-N 1 1 285.387 3.084 20 10 CGCDMO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2c(C)cccc2O)no1 ZINC000876627958 634871129 /nfs/dbraw/zinc/87/11/29/634871129.db2.gz MBSHDCCZHCLPCU-AWEZNQCLSA-N 1 1 287.363 3.119 20 10 CGCDMO Cc1nc([C@@H]2CCCC[N@H+]2Cc2c(C)cccc2O)no1 ZINC000876627958 634871132 /nfs/dbraw/zinc/87/11/32/634871132.db2.gz MBSHDCCZHCLPCU-AWEZNQCLSA-N 1 1 287.363 3.119 20 10 CGCDMO Cc1ccc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)c(O)c1 ZINC000876657510 634876742 /nfs/dbraw/zinc/87/67/42/634876742.db2.gz GEQCWSRWNKWADW-CQSZACIVSA-N 1 1 271.364 3.151 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(O)c1 ZINC000877496343 635060416 /nfs/dbraw/zinc/06/04/16/635060416.db2.gz PJIDMTUMOWLWAJ-UHFFFAOYSA-N 1 1 288.435 3.008 20 10 CGCDMO CCC[N@@H+]1CC[C@@H](CNCc2c(O)cc(C)cc2Cl)C1 ZINC000840884105 635073151 /nfs/dbraw/zinc/07/31/51/635073151.db2.gz IWCCTOQIROABJM-ZDUSSCGKSA-N 1 1 296.842 3.176 20 10 CGCDMO CCC[N@H+]1CC[C@@H](CNCc2c(O)cc(C)cc2Cl)C1 ZINC000840884105 635073154 /nfs/dbraw/zinc/07/31/54/635073154.db2.gz IWCCTOQIROABJM-ZDUSSCGKSA-N 1 1 296.842 3.176 20 10 CGCDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(C)cc1O ZINC000877530414 635074659 /nfs/dbraw/zinc/07/46/59/635074659.db2.gz DEXFLKVQLNHOIG-OAHLLOKOSA-N 1 1 285.391 3.378 20 10 CGCDMO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(C3CC3)s2)c(O)c1 ZINC000840891686 635076278 /nfs/dbraw/zinc/07/62/78/635076278.db2.gz SNPVVPQDIAPPHU-SNVBAGLBSA-N 1 1 289.404 3.280 20 10 CGCDMO CSC[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1C ZINC000840916993 635082756 /nfs/dbraw/zinc/08/27/56/635082756.db2.gz MRLSCDWRBAHGGV-MRXNPFEDSA-N 1 1 278.465 3.388 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]3COCC[C@H]32)c(Cl)c1 ZINC000840919355 635083055 /nfs/dbraw/zinc/08/30/55/635083055.db2.gz CSBIPMAQIZSZBI-SWLSCSKDSA-N 1 1 295.810 3.355 20 10 CGCDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840946452 635089876 /nfs/dbraw/zinc/08/98/76/635089876.db2.gz KPPSVZIVSPOOOT-GOSISDBHSA-N 1 1 290.451 3.046 20 10 CGCDMO CCn1ccnc1[C@H](C)[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840951422 635091228 /nfs/dbraw/zinc/09/12/28/635091228.db2.gz XYPASFUJHQPSFJ-NSHDSACASA-N 1 1 293.798 3.421 20 10 CGCDMO CC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@@H](O)C(C)C ZINC000840968275 635095666 /nfs/dbraw/zinc/09/56/66/635095666.db2.gz PYTUAFRSHICSHB-JSGCOSHPSA-N 1 1 289.778 3.070 20 10 CGCDMO Cc1cccc(O)c1C[N@H+](Cc1cnn(C)c1)CC(C)C ZINC000877579235 635100512 /nfs/dbraw/zinc/10/05/12/635100512.db2.gz PDRCWXWKHRWOLU-UHFFFAOYSA-N 1 1 287.407 3.092 20 10 CGCDMO Oc1ccccc1C[N@@H+]1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC000877673798 635141367 /nfs/dbraw/zinc/14/13/67/635141367.db2.gz RMDGFCSRZMCDRX-SJORKVTESA-N 1 1 283.371 3.090 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000877805497 635209405 /nfs/dbraw/zinc/20/94/05/635209405.db2.gz KBRDNONUXUYRJV-BPYAMOTFSA-N 1 1 299.773 3.232 20 10 CGCDMO CC[C@@H](O)CCC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841747395 635223662 /nfs/dbraw/zinc/22/36/62/635223662.db2.gz ASOJBCWYMCYUQT-CMPLNLGQSA-N 1 1 271.788 3.247 20 10 CGCDMO C[C@@H]([NH2+]CC[C@@H]1CCOC1)c1ccc(Cl)cc1O ZINC000841752723 635227619 /nfs/dbraw/zinc/22/76/19/635227619.db2.gz GOFOLYLSWSNWFW-GHMZBOCLSA-N 1 1 269.772 3.123 20 10 CGCDMO C[C@@H](CCCO)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841757143 635231196 /nfs/dbraw/zinc/23/11/96/635231196.db2.gz MLXGFDWDPGHTIC-QWRGUYRKSA-N 1 1 271.788 3.105 20 10 CGCDMO CC[C@H](C[N@@H+](Cc1ccco1)Cc1ccccc1O)OC ZINC000842152862 635296057 /nfs/dbraw/zinc/29/60/57/635296057.db2.gz JCQYMHFZXUXYCD-OAHLLOKOSA-N 1 1 289.375 3.412 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC000842621385 635419836 /nfs/dbraw/zinc/41/98/36/635419836.db2.gz DBTDALRNJAVLHD-MRXNPFEDSA-N 1 1 282.387 3.394 20 10 CGCDMO C[C@H]1SCC[C@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000842778561 635469764 /nfs/dbraw/zinc/46/97/64/635469764.db2.gz GYYVCTHWJNRVAX-GMSGAONNSA-N 1 1 275.776 3.168 20 10 CGCDMO CCC[N@@H+](Cc1cc(Cl)ccc1[O-])C1CC[NH2+]CC1 ZINC000843044988 635549822 /nfs/dbraw/zinc/54/98/22/635549822.db2.gz OWVQGVZFNBOPQZ-UHFFFAOYSA-N 1 1 282.815 3.010 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc3c2NCC3)cc1 ZINC000843059012 635555638 /nfs/dbraw/zinc/55/56/38/635555638.db2.gz CICPJBFCXSMMJB-UHFFFAOYSA-N 1 1 295.430 3.353 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](OC(C)C)C2)c(Cl)c1 ZINC000843414211 635661884 /nfs/dbraw/zinc/66/18/84/635661884.db2.gz XAFVWABZZBOYRO-GFCCVEGCSA-N 1 1 283.799 3.353 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000843419740 635665282 /nfs/dbraw/zinc/66/52/82/635665282.db2.gz RUVPWYSAUREUHM-CYBMUJFWSA-N 1 1 288.778 3.430 20 10 CGCDMO CCCC[C@@](C)(CO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000843425937 635669601 /nfs/dbraw/zinc/66/96/01/635669601.db2.gz KPJCVEDVQCQYJX-AWEZNQCLSA-N 1 1 289.778 3.216 20 10 CGCDMO CC[C@H](C)C[C@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000843427336 635671027 /nfs/dbraw/zinc/67/10/27/635671027.db2.gz LQNUNVDOIGNTKY-GXSJLCMTSA-N 1 1 289.778 3.071 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)c1 ZINC000843435917 635676455 /nfs/dbraw/zinc/67/64/55/635676455.db2.gz ZQWQSPVYMQZYES-CQSZACIVSA-N 1 1 275.392 3.234 20 10 CGCDMO C[NH2+]Cc1ccccc1C[NH2+]Cc1c([O-])cccc1Cl ZINC000844904328 635980822 /nfs/dbraw/zinc/98/08/22/635980822.db2.gz IBTPWQKRDGNBNN-UHFFFAOYSA-N 1 1 290.794 3.055 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H]2C(C)C)c1O ZINC000211578048 636107435 /nfs/dbraw/zinc/10/74/35/636107435.db2.gz BQZUUQUWWCKSSQ-CQSZACIVSA-N 1 1 263.381 3.411 20 10 CGCDMO COCCC1(C[NH2+]Cc2cc(F)cc(F)c2O)CCCC1 ZINC000883042662 636518360 /nfs/dbraw/zinc/51/83/60/636518360.db2.gz GTRZSVULCZMLLD-UHFFFAOYSA-N 1 1 299.361 3.357 20 10 CGCDMO CC1(C)COCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000130863320 636523540 /nfs/dbraw/zinc/52/35/40/636523540.db2.gz XODGPTORLZKRMB-UHFFFAOYSA-N 1 1 288.435 3.288 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCC[C@@H]1CCCCO1 ZINC000883087808 636537468 /nfs/dbraw/zinc/53/74/68/636537468.db2.gz JNIZFSRYRNXPSN-ZDUSSCGKSA-N 1 1 285.334 3.109 20 10 CGCDMO CCOC1CC2(C1)CC[N@@H+](Cc1cccc(CC)c1O)C2 ZINC000848911803 636686492 /nfs/dbraw/zinc/68/64/92/636686492.db2.gz ZKYMVVXSKLMYMB-UHFFFAOYSA-N 1 1 289.419 3.346 20 10 CGCDMO Cc1cc(Cl)cc(C[NH+]2CC3(CC3(F)F)C2)c1O ZINC000848922294 636691111 /nfs/dbraw/zinc/69/11/11/636691111.db2.gz QCOGRXRHYPVOKQ-UHFFFAOYSA-N 1 1 273.710 3.195 20 10 CGCDMO COc1cccc(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)c1O ZINC000132746059 636834449 /nfs/dbraw/zinc/83/44/49/636834449.db2.gz GQIMMXLXVFUHAN-GXTWGEPZSA-N 1 1 263.381 3.411 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[NH2+]Cc1nccn1C(C)C ZINC000850137823 636966277 /nfs/dbraw/zinc/96/62/77/636966277.db2.gz TUGOLPXZXTXQRD-UHFFFAOYSA-N 1 1 286.423 3.128 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H]1C[C@@]12CCOC2 ZINC000886192452 637453488 /nfs/dbraw/zinc/45/34/88/637453488.db2.gz XBFGJQJYIPGOIP-FUHWJXTLSA-N 1 1 289.419 3.421 20 10 CGCDMO C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1c(O)cccc1F ZINC000886489142 637539012 /nfs/dbraw/zinc/53/90/12/637539012.db2.gz AWLRNROHOVEQJX-AAEUAGOBSA-N 1 1 292.354 3.078 20 10 CGCDMO C[C@H]([NH2+]CC1(N(C)C)CCCC1)c1c(O)cccc1F ZINC000886493396 637541665 /nfs/dbraw/zinc/54/16/65/637541665.db2.gz JIEXEHKKUUCULM-LBPRGKRZSA-N 1 1 280.387 3.056 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1c(O)cccc1F ZINC000886508580 637544455 /nfs/dbraw/zinc/54/44/55/637544455.db2.gz FNZVIUSJRUPNHP-MEBBXXQBSA-N 1 1 293.313 3.055 20 10 CGCDMO C[C@@H]([NH2+]CCOC1CCCC1)c1c(O)cccc1F ZINC000886516309 637549630 /nfs/dbraw/zinc/54/96/30/637549630.db2.gz BWWSKUGBLNWVTM-LLVKDONJSA-N 1 1 267.344 3.141 20 10 CGCDMO C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1c(O)cccc1F ZINC000886522738 637551064 /nfs/dbraw/zinc/55/10/64/637551064.db2.gz PZXWGYKLXMXBRG-XHDPSFHLSA-N 1 1 281.371 3.123 20 10 CGCDMO CS[C@@H]1CC[C@H]([NH2+][C@H](C)c2c(O)cccc2F)C1 ZINC000886532668 637558146 /nfs/dbraw/zinc/55/81/46/637558146.db2.gz MPYBLEICHYNUSJ-OUAUKWLOSA-N 1 1 269.385 3.466 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1c(O)cccc1F ZINC000886536412 637561702 /nfs/dbraw/zinc/56/17/02/637561702.db2.gz HBJWSDVPLVJELG-NWDGAFQWSA-N 1 1 274.339 3.208 20 10 CGCDMO Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2c(O)cccc2F)c1 ZINC000886551076 637575612 /nfs/dbraw/zinc/57/56/12/637575612.db2.gz AWDWRDFWLOBTRH-WBMJQRKESA-N 1 1 289.350 3.224 20 10 CGCDMO Cc1cnccc1CC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886556659 637580068 /nfs/dbraw/zinc/58/00/68/637580068.db2.gz HHPGGFNQVGPHIZ-GFCCVEGCSA-N 1 1 274.339 3.128 20 10 CGCDMO C[C@H](CCO)C1(C[NH2+][C@@H](C)c2c(O)cccc2F)CCC1 ZINC000886562085 637583161 /nfs/dbraw/zinc/58/31/61/637583161.db2.gz QHHJCERBSMTTNI-OLZOCXBDSA-N 1 1 295.398 3.371 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1c(O)cccc1F ZINC000886610480 637603449 /nfs/dbraw/zinc/60/34/49/637603449.db2.gz BYTQTGALUNTKGC-NEPJUHHUSA-N 1 1 287.334 3.358 20 10 CGCDMO COCC1CCC([NH2+][C@H](C)c2c(O)cccc2F)CC1 ZINC000886627015 637615783 /nfs/dbraw/zinc/61/57/83/637615783.db2.gz QVPXKMXUVZZGGL-PNESKVBLSA-N 1 1 281.371 3.387 20 10 CGCDMO CO[C@@](C)([C@H](C)[NH2+][C@@H](C)c1c(O)cccc1F)C1CC1 ZINC000886625620 637616586 /nfs/dbraw/zinc/61/65/86/637616586.db2.gz WAUAGUGRDJCGSQ-MMPTUQATSA-N 1 1 281.371 3.386 20 10 CGCDMO Cc1cc(C[N@@H+]2CC3(CCC3)OC[C@H]2C)ccc1N(C)C ZINC000852442507 637652951 /nfs/dbraw/zinc/65/29/51/637652951.db2.gz FGQVQOJWQQFRLQ-OAHLLOKOSA-N 1 1 288.435 3.204 20 10 CGCDMO C[C@H]([NH2+]CC[C@H]1CC(C)(C)CO1)c1c(O)cccc1F ZINC000886720318 637673241 /nfs/dbraw/zinc/67/32/41/637673241.db2.gz ZTABLBBFFNXIFA-RYUDHWBXSA-N 1 1 281.371 3.387 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000853578244 637868760 /nfs/dbraw/zinc/86/87/60/637868760.db2.gz JOUDLNAJJJNBHG-KBPBESRZSA-N 1 1 253.345 3.387 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000853584773 637869834 /nfs/dbraw/zinc/86/98/34/637869834.db2.gz BMBKLPTXOVADMU-LSDHHAIUSA-N 1 1 283.371 3.014 20 10 CGCDMO COc1ccc(N2CC[C@H](Nc3cc(C)cc[nH+]3)C2)cc1 ZINC000853759248 637911694 /nfs/dbraw/zinc/91/16/94/637911694.db2.gz QDMXVNFRGSHNQF-AWEZNQCLSA-N 1 1 283.375 3.089 20 10 CGCDMO Cc1nccnc1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000857012512 638426505 /nfs/dbraw/zinc/42/65/05/638426505.db2.gz LETLKTFZUWKNBA-UHFFFAOYSA-N 1 1 296.418 3.016 20 10 CGCDMO Cc1cc(C[NH2+]Cc2ncc[nH]2)c(C)n1-c1cccc(C)c1 ZINC000858293057 638674654 /nfs/dbraw/zinc/67/46/54/638674654.db2.gz IYQZDXNVSYALQE-UHFFFAOYSA-N 1 1 294.402 3.415 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(Cl)ccc1[O-] ZINC000858490440 638741205 /nfs/dbraw/zinc/74/12/05/638741205.db2.gz HJQOQOXKQHKBRV-OLZOCXBDSA-N 1 1 296.842 3.428 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(Cl)ccc1[O-] ZINC000858490440 638741207 /nfs/dbraw/zinc/74/12/07/638741207.db2.gz HJQOQOXKQHKBRV-OLZOCXBDSA-N 1 1 296.842 3.428 20 10 CGCDMO CCC[C@H](O)CC[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000927013896 638831507 /nfs/dbraw/zinc/83/15/07/638831507.db2.gz AKTXGKHOACLJFA-JSGCOSHPSA-N 1 1 269.360 3.123 20 10 CGCDMO CCC[C@@H](O)CC[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000927013901 638831569 /nfs/dbraw/zinc/83/15/69/638831569.db2.gz AKTXGKHOACLJFA-TZMCWYRMSA-N 1 1 269.360 3.123 20 10 CGCDMO C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1ccc(F)cc1O ZINC000927070794 638837815 /nfs/dbraw/zinc/83/78/15/638837815.db2.gz VEAQKVSKODNADF-XTQGRXLLSA-N 1 1 293.382 3.387 20 10 CGCDMO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1cnn(C)c1 ZINC000927071409 638838475 /nfs/dbraw/zinc/83/84/75/638838475.db2.gz SIWDGWUHOJZEPT-MEDUHNTESA-N 1 1 291.370 3.313 20 10 CGCDMO Cc1cc(C)nc(C[N@H+](C)Cc2ccccc2O)c1 ZINC000929978192 638965875 /nfs/dbraw/zinc/96/58/75/638965875.db2.gz ZEQCGIVEDIAKHH-UHFFFAOYSA-N 1 1 256.349 3.036 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)NCC[N@H+](C)C(C)C)cc1 ZINC000155746178 639947346 /nfs/dbraw/zinc/94/73/46/639947346.db2.gz HZBDFCBZTNAZNI-OAHLLOKOSA-N 1 1 277.456 3.134 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)NCC[N@@H+](C)C(C)C)cc1 ZINC000155746178 639947352 /nfs/dbraw/zinc/94/73/52/639947352.db2.gz HZBDFCBZTNAZNI-OAHLLOKOSA-N 1 1 277.456 3.134 20 10 CGCDMO C[C@H]([NH2+]Cc1cccc(F)c1O)c1cccc(O)c1 ZINC000158715844 640016066 /nfs/dbraw/zinc/01/60/66/640016066.db2.gz UPMRGDXNWMGUDQ-JTQLQIEISA-N 1 1 261.296 3.088 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccc(F)cc1O ZINC000187868078 640102069 /nfs/dbraw/zinc/10/20/69/640102069.db2.gz NVKPHNQTXYUWQK-PWSUYJOCSA-N 1 1 267.344 3.140 20 10 CGCDMO c1cc(N2CCCC2)ccc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000193013340 640426163 /nfs/dbraw/zinc/42/61/63/640426163.db2.gz DNSCSTPWNSWFFA-PKOBYXMFSA-N 1 1 299.462 3.003 20 10 CGCDMO c1cc(N2CCCC2)ccc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000193013340 640426166 /nfs/dbraw/zinc/42/61/66/640426166.db2.gz DNSCSTPWNSWFFA-PKOBYXMFSA-N 1 1 299.462 3.003 20 10 CGCDMO Cc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2ccccc2O)o1 ZINC000091956565 640728150 /nfs/dbraw/zinc/72/81/50/640728150.db2.gz RAQLINVDKFTHQW-UHFFFAOYSA-N 1 1 297.358 3.316 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC000093480863 640772810 /nfs/dbraw/zinc/77/28/10/640772810.db2.gz GMOOHUUEBIRNQQ-CVEARBPZSA-N 1 1 288.435 3.001 20 10 CGCDMO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2O)CCS1 ZINC000093504425 640773754 /nfs/dbraw/zinc/77/37/54/640773754.db2.gz CXVXEUWEWUCQFL-UHFFFAOYSA-N 1 1 271.813 3.373 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H]1CC[C@@H](C)O1 ZINC000248867960 640783986 /nfs/dbraw/zinc/78/39/86/640783986.db2.gz CIAVHKPQWHLXQF-UKRRQHHQSA-N 1 1 263.381 3.172 20 10 CGCDMO CC(C)CCO[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000272269112 640987996 /nfs/dbraw/zinc/98/79/96/640987996.db2.gz LALJYVORTOHMDY-CQSZACIVSA-N 1 1 281.371 3.168 20 10 CGCDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000272269112 640988001 /nfs/dbraw/zinc/98/80/01/640988001.db2.gz LALJYVORTOHMDY-CQSZACIVSA-N 1 1 281.371 3.168 20 10 CGCDMO CCOC(=O)C[N@@H+](Cc1cc(C)ccc1O)C1CCCC1 ZINC000093687081 798966421 /nfs/dbraw/zinc/96/64/21/798966421.db2.gz DBJPJBZLZCCGGX-UHFFFAOYSA-N 1 1 291.391 3.008 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c1O ZINC000381145449 799373306 /nfs/dbraw/zinc/37/33/06/799373306.db2.gz RGHKGGQAJJPROF-NHYWBVRUSA-N 1 1 277.339 3.108 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)c1O ZINC000381145449 799373311 /nfs/dbraw/zinc/37/33/11/799373311.db2.gz RGHKGGQAJJPROF-NHYWBVRUSA-N 1 1 277.339 3.108 20 10 CGCDMO CCC[N@H+](Cc1cccc(OC)c1O)CC(C)C ZINC000381437917 799380413 /nfs/dbraw/zinc/38/04/13/799380413.db2.gz KHZCOKGAHCYBIR-UHFFFAOYSA-N 1 1 251.370 3.269 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH2+]CC[C@H](C)F)c1 ZINC000382279801 799395004 /nfs/dbraw/zinc/39/50/04/799395004.db2.gz IRQDSWIVCJZZHO-VIFPVBQESA-N 1 1 290.176 3.301 20 10 CGCDMO C[N@H+](Cc1cc(F)ccc1O)CC1CC(F)(F)C1 ZINC000383506865 799404199 /nfs/dbraw/zinc/40/41/99/799404199.db2.gz IQGKRYXHUNUCKS-UHFFFAOYSA-N 1 1 259.271 3.008 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000385468759 799426294 /nfs/dbraw/zinc/42/62/94/799426294.db2.gz FMOKXLHCGOYHDQ-SECBINFHSA-N 1 1 279.689 3.430 20 10 CGCDMO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCCC1(F)F ZINC000398147053 799526786 /nfs/dbraw/zinc/52/67/86/799526786.db2.gz OGFXGGFYKOBKLA-NSHDSACASA-N 1 1 261.699 3.323 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(C)ccc2O)[C@@H](CC)CO1 ZINC000403805130 799571920 /nfs/dbraw/zinc/57/19/20/799571920.db2.gz IIKNRKXJQFEAGI-LSDHHAIUSA-N 1 1 263.381 3.090 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1ccc(F)cc1O ZINC000690398469 799776149 /nfs/dbraw/zinc/77/61/49/799776149.db2.gz VGUZIZRGLKKZMW-DGCLKSJQSA-N 1 1 280.387 3.055 20 10 CGCDMO C[C@@H]([NH2+]CC[C@@H]1CCSC1)c1ccc(F)cc1O ZINC000704791465 799941192 /nfs/dbraw/zinc/94/11/92/799941192.db2.gz UVIIJNBVRCLKBX-GHMZBOCLSA-N 1 1 269.385 3.325 20 10 CGCDMO CCOC1(C[NH2+]Cc2cc(F)cc(F)c2O)CCCC1 ZINC000708393294 799988823 /nfs/dbraw/zinc/98/88/23/799988823.db2.gz BWBZUYYNRPRQFM-UHFFFAOYSA-N 1 1 285.334 3.109 20 10 CGCDMO CC1(C[NH2+]Cc2cc(F)cc(F)c2O)CC(F)(F)C1 ZINC000708494416 799990087 /nfs/dbraw/zinc/99/00/87/799990087.db2.gz JAYOWZSYWNIFDR-UHFFFAOYSA-N 1 1 277.261 3.195 20 10 CGCDMO CS[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708553408 799991552 /nfs/dbraw/zinc/99/15/52/799991552.db2.gz BVVOFWMCSUHGFS-NWDGAFQWSA-N 1 1 287.375 3.434 20 10 CGCDMO C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)c1nccs1 ZINC000708550091 799992789 /nfs/dbraw/zinc/99/27/89/799992789.db2.gz WCWRKNDWBQHORI-QMMMGPOBSA-N 1 1 284.331 3.020 20 10 CGCDMO CCOc1cccc(C[NH2+]Cc2ncc(Cl)s2)c1O ZINC000719429077 800239044 /nfs/dbraw/zinc/23/90/44/800239044.db2.gz GCKGZEFNWBUYLK-UHFFFAOYSA-N 1 1 298.795 3.191 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCO[C@@H](C3CCC3)C2)c1 ZINC000840174728 800497340 /nfs/dbraw/zinc/49/73/40/800497340.db2.gz BXBCXZVBQRYISH-MRXNPFEDSA-N 1 1 275.392 3.010 20 10 CGCDMO COc1ccc(C[N@@H+](C)C2CC(C)(C)C2)c(O)c1OC ZINC000894861428 800578517 /nfs/dbraw/zinc/57/85/17/800578517.db2.gz UDPKXFJLKZLVAM-UHFFFAOYSA-N 1 1 279.380 3.030 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1ccc(F)cc1[O-] ZINC001117139603 802437062 /nfs/dbraw/zinc/43/70/62/802437062.db2.gz OHCNBLOHMNLOPY-CJNGLKHVSA-N 1 1 294.414 3.304 20 10 CGCDMO C[N@@H+](Cc1cccn1C1CC1)Cc1ccccc1O ZINC001117783368 802493923 /nfs/dbraw/zinc/49/39/23/802493923.db2.gz HHKLMFJDAWBMNG-UHFFFAOYSA-N 1 1 256.349 3.161 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1ccc(N3CCCC3)o1)CC2 ZINC001137070085 803678980 /nfs/dbraw/zinc/67/89/80/803678980.db2.gz ZCABSDBSRJYXQV-UHFFFAOYSA-N 1 1 298.386 3.144 20 10 CGCDMO COc1ccc2c(c1)CC[N@@H+](Cc1c(O)cccc1F)C2 ZINC001137832036 803776896 /nfs/dbraw/zinc/77/68/96/803776896.db2.gz XWLZOXKPOYONGZ-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO COc1ccc2c(c1)CC[N@H+](Cc1c(O)cccc1F)C2 ZINC001137832036 803776902 /nfs/dbraw/zinc/77/69/02/803776902.db2.gz XWLZOXKPOYONGZ-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO Cc1cccc2c1CC[N@H+](Cc1c(O)cccc1F)C2 ZINC001137831755 803778072 /nfs/dbraw/zinc/77/80/72/803778072.db2.gz MGGNNAOFCCBIPF-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO Cc1cccc2c1CC[N@@H+](Cc1c(O)cccc1F)C2 ZINC001137831755 803778076 /nfs/dbraw/zinc/77/80/76/803778076.db2.gz MGGNNAOFCCBIPF-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1CCc2ccsc2C1 ZINC001137837874 803779658 /nfs/dbraw/zinc/77/96/58/803779658.db2.gz XYJDVTLNDKCYOD-UHFFFAOYSA-N 1 1 263.337 3.151 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1CCc2ccsc2C1 ZINC001137837874 803779664 /nfs/dbraw/zinc/77/96/64/803779664.db2.gz XYJDVTLNDKCYOD-UHFFFAOYSA-N 1 1 263.337 3.151 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001137837848 803780668 /nfs/dbraw/zinc/78/06/68/803780668.db2.gz WZNJHWGFJRWLCD-VIFPVBQESA-N 1 1 277.261 3.306 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001137837848 803780674 /nfs/dbraw/zinc/78/06/74/803780674.db2.gz WZNJHWGFJRWLCD-VIFPVBQESA-N 1 1 277.261 3.306 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CCOC[C@H]1C1CCCCC1 ZINC001138131270 803865141 /nfs/dbraw/zinc/86/51/41/803865141.db2.gz UWQLLCZDXCTFKO-INIZCTEOSA-N 1 1 293.382 3.312 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CCOC[C@H]1C1CCCCC1 ZINC001138131270 803865149 /nfs/dbraw/zinc/86/51/49/803865149.db2.gz UWQLLCZDXCTFKO-INIZCTEOSA-N 1 1 293.382 3.312 20 10 CGCDMO Cc1c(C[N@H+]2CC[C@]3(CCCO3)C2)c2ccccc2n1C ZINC001138252576 803880579 /nfs/dbraw/zinc/88/05/79/803880579.db2.gz MIMZSHPZSCJRHD-GOSISDBHSA-N 1 1 284.403 3.242 20 10 CGCDMO Cc1c(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c2ccccc2n1C ZINC001138254512 803883203 /nfs/dbraw/zinc/88/32/03/803883203.db2.gz ZZLLQHVTCCBQSW-OKILXGFUSA-N 1 1 282.387 3.183 20 10 CGCDMO Cc1c(C[N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c2ccccc2n1C ZINC001138257946 803883849 /nfs/dbraw/zinc/88/38/49/803883849.db2.gz FHPJNXPCCJPEJW-XHVUQVIVSA-N 1 1 296.414 3.096 20 10 CGCDMO Oc1c(C[N@H+]2CCC[C@@H]3C[C@@H]32)cc2c3c1CCCN3CCC2 ZINC001138342663 803898598 /nfs/dbraw/zinc/89/85/98/803898598.db2.gz VNFGJEIZOUCTTL-DYVFJYSZSA-N 1 1 298.430 3.075 20 10 CGCDMO Oc1c(C[N@H+]2CCC[C@H]3C[C@H]32)cc2c3c1CCCN3CCC2 ZINC001138342665 803899132 /nfs/dbraw/zinc/89/91/32/803899132.db2.gz VNFGJEIZOUCTTL-SUMWQHHRSA-N 1 1 298.430 3.075 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CCC(C)(C)C3)ccc21 ZINC001138358741 803902546 /nfs/dbraw/zinc/90/25/46/803902546.db2.gz YXVBXKBSCFQENY-UHFFFAOYSA-N 1 1 258.409 3.301 20 10 CGCDMO CC[C@@H]1CC(NCc2ccc3c(c2)CCO3)C[C@@H](CC)[NH2+]1 ZINC001246201468 804205808 /nfs/dbraw/zinc/20/58/08/804205808.db2.gz VMCZVWRMNMWTBR-HZPDHXFCSA-N 1 1 288.435 3.020 20 10 CGCDMO CC[C@@H]1CC(NCc2ccc(OC)c(C)c2)C[C@@H](CC)[NH2+]1 ZINC001246345782 804295822 /nfs/dbraw/zinc/29/58/22/804295822.db2.gz KRIJMCWIOSQKGB-HZPDHXFCSA-N 1 1 290.451 3.402 20 10 CGCDMO CC[C@H]1CC(NCc2ccc(OC)c(C)c2)C[C@H](CC)[NH2+]1 ZINC001246345779 804296490 /nfs/dbraw/zinc/29/64/90/804296490.db2.gz KRIJMCWIOSQKGB-HOTGVXAUSA-N 1 1 290.451 3.402 20 10 CGCDMO CC[C@@H]1C[C@@H](NCc2ccc(OC)c(C)c2)C[C@H](CC)[NH2+]1 ZINC001246345773 804297101 /nfs/dbraw/zinc/29/71/01/804297101.db2.gz KRIJMCWIOSQKGB-BJWYYQGGSA-N 1 1 290.451 3.402 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@@H](COCC3CC3)C2)c1O ZINC001140183329 804396060 /nfs/dbraw/zinc/39/60/60/804396060.db2.gz CDXYTTARBIGOEG-MRXNPFEDSA-N 1 1 289.419 3.258 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140181445 804396348 /nfs/dbraw/zinc/39/63/48/804396348.db2.gz BQEBVKZNGGNODH-AWEZNQCLSA-N 1 1 263.381 3.010 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@H](c3ccncc3)C2)c1O ZINC001140180461 804396592 /nfs/dbraw/zinc/39/65/92/804396592.db2.gz XCTXOFUZCBDBNH-INIZCTEOSA-N 1 1 282.387 3.394 20 10 CGCDMO CC[N@H+](CC(=O)OC(C)(C)C)Cc1c(C)ccc(C)c1O ZINC001140182345 804396653 /nfs/dbraw/zinc/39/66/53/804396653.db2.gz POULHWQOIANCJN-UHFFFAOYSA-N 1 1 293.407 3.173 20 10 CGCDMO CC[N@@H+](CC(=O)OC(C)(C)C)Cc1c(C)ccc(C)c1O ZINC001140182345 804396658 /nfs/dbraw/zinc/39/66/58/804396658.db2.gz POULHWQOIANCJN-UHFFFAOYSA-N 1 1 293.407 3.173 20 10 CGCDMO CCCCC[NH+]1CCN(Cc2c(C)ccc(C)c2O)CC1 ZINC001140180378 804396826 /nfs/dbraw/zinc/39/68/26/804396826.db2.gz VVDOWRJMGXHZQF-UHFFFAOYSA-N 1 1 290.451 3.317 20 10 CGCDMO Cc1cc(C[N@H+]2CCc3cccc(O)c3C2)c(C)cc1O ZINC001140201874 804400743 /nfs/dbraw/zinc/40/07/43/804400743.db2.gz DUDOFGVSXZCWDD-UHFFFAOYSA-N 1 1 283.371 3.273 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCC[C@@]1(C)O ZINC001140337894 804417637 /nfs/dbraw/zinc/41/76/37/804417637.db2.gz LMYUGBUEHBSYCW-XHDPSFHLSA-N 1 1 283.799 3.029 20 10 CGCDMO CC[N@H+](Cc1cccnc1)Cc1c(O)cccc1Cl ZINC001140341479 804419726 /nfs/dbraw/zinc/41/97/26/804419726.db2.gz QBUIVXZMMAMZMU-UHFFFAOYSA-N 1 1 276.767 3.463 20 10 CGCDMO CC[N@@H+](Cc1cccnc1)Cc1c(O)cccc1Cl ZINC001140341479 804419730 /nfs/dbraw/zinc/41/97/30/804419730.db2.gz QBUIVXZMMAMZMU-UHFFFAOYSA-N 1 1 276.767 3.463 20 10 CGCDMO CC(C)[N@@H+](Cc1c(O)cccc1Cl)C1CCN(C)CC1 ZINC001140342782 804420601 /nfs/dbraw/zinc/42/06/01/804420601.db2.gz YIDWQVPVRQITEV-UHFFFAOYSA-N 1 1 296.842 3.350 20 10 CGCDMO Cc1cnc2c(c1)C[N@@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001140464639 804441358 /nfs/dbraw/zinc/44/13/58/804441358.db2.gz YHZLVLFWBBMEKQ-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1cnc2c(c1)C[N@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001140464639 804441361 /nfs/dbraw/zinc/44/13/61/804441361.db2.gz YHZLVLFWBBMEKQ-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001140466470 804443414 /nfs/dbraw/zinc/44/34/14/804443414.db2.gz GSLDUQDFZUMSFS-LBPRGKRZSA-N 1 1 273.710 3.277 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2ccc(O)c(C)c2O)cc1 ZINC001140745318 804502653 /nfs/dbraw/zinc/50/26/53/804502653.db2.gz FORQMYRRDKQLIE-UHFFFAOYSA-N 1 1 271.360 3.347 20 10 CGCDMO Cc1c(O)ccc(C[N@@H+](C)CCC(=O)c2ccccc2)c1O ZINC001140749027 804504325 /nfs/dbraw/zinc/50/43/25/804504325.db2.gz OWPHFBMNSMVRBQ-UHFFFAOYSA-N 1 1 299.370 3.111 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2C)c(O)c1 ZINC001140851859 804533203 /nfs/dbraw/zinc/53/32/03/804533203.db2.gz RRCOCZQFJCHDPB-ZDUSSCGKSA-N 1 1 262.397 3.223 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c(Cl)c1 ZINC001140924018 804551039 /nfs/dbraw/zinc/55/10/39/804551039.db2.gz AUWJTBZOZCVXHL-WHOFXGATSA-N 1 1 282.790 3.338 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c(O)c1 ZINC001140948347 804555707 /nfs/dbraw/zinc/55/57/07/804555707.db2.gz GBGJQQKRDACQOR-GOSISDBHSA-N 1 1 296.414 3.189 20 10 CGCDMO COc1ccc2c(c1)CC[N@H+](Cc1ccc(C)cc1O)C2 ZINC001140947880 804556404 /nfs/dbraw/zinc/55/64/04/804556404.db2.gz JGLVNSSYZCHOHT-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](C)[C@H]2C)c(OC)c1 ZINC001141028204 804574987 /nfs/dbraw/zinc/57/49/87/804574987.db2.gz FUWZJNUALPNFFK-NWDGAFQWSA-N 1 1 279.380 3.030 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC[C@H](C)C[C@@H]2C)c(OC)c1 ZINC001141028067 804575305 /nfs/dbraw/zinc/57/53/05/804575305.db2.gz AACJKJZHJPCNIQ-RYUDHWBXSA-N 1 1 279.380 3.030 20 10 CGCDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141139085 804596414 /nfs/dbraw/zinc/59/64/14/804596414.db2.gz ILGMRQCESGKTAP-OKILXGFUSA-N 1 1 274.408 3.278 20 10 CGCDMO C[C@@H]1CCCCC[N@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141143067 804596571 /nfs/dbraw/zinc/59/65/71/804596571.db2.gz LZZPBPQVJMICJL-CQSZACIVSA-N 1 1 274.408 3.280 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCN3C)[C@@H]1C ZINC001141142831 804596592 /nfs/dbraw/zinc/59/65/92/804596592.db2.gz BYUPMMYIJMEKPQ-ZIAGYGMSSA-N 1 1 274.408 3.136 20 10 CGCDMO Cc1cccc2c1C[N@@H+](Cc1ccc3c(c1)OCCN3C)C2 ZINC001141141453 804596698 /nfs/dbraw/zinc/59/66/98/804596698.db2.gz YXBPRQFZHNYVLF-UHFFFAOYSA-N 1 1 294.398 3.339 20 10 CGCDMO Cc1ccccc1O[C@H]1CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141158449 804600327 /nfs/dbraw/zinc/60/03/27/804600327.db2.gz ACDXKUATRKXNAC-INIZCTEOSA-N 1 1 299.370 3.060 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001142513071 804729179 /nfs/dbraw/zinc/72/91/79/804729179.db2.gz VZXABMQNVKHLTQ-GHMZBOCLSA-N 1 1 267.319 3.292 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001142513071 804729183 /nfs/dbraw/zinc/72/91/83/804729183.db2.gz VZXABMQNVKHLTQ-GHMZBOCLSA-N 1 1 267.319 3.292 20 10 CGCDMO COCC[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142520062 804730763 /nfs/dbraw/zinc/73/07/63/804730763.db2.gz AYDTZYJXDHDADT-LBPRGKRZSA-N 1 1 285.334 3.061 20 10 CGCDMO COCC[C@@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142520062 804730765 /nfs/dbraw/zinc/73/07/65/804730765.db2.gz AYDTZYJXDHDADT-LBPRGKRZSA-N 1 1 285.334 3.061 20 10 CGCDMO CC[N@@H+](CCN(C)C)Cc1cccc(C(C)(C)C)c1O ZINC001143103912 804801000 /nfs/dbraw/zinc/80/10/00/804801000.db2.gz MXQGTOGQNIZOAE-UHFFFAOYSA-N 1 1 278.440 3.073 20 10 CGCDMO CCN(CC[NH+](C)C)Cc1cccc(C(C)(C)C)c1O ZINC001143103912 804801002 /nfs/dbraw/zinc/80/10/02/804801002.db2.gz MXQGTOGQNIZOAE-UHFFFAOYSA-N 1 1 278.440 3.073 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CCC(=O)[C@@H](F)CC2)c1O ZINC001143104722 804801104 /nfs/dbraw/zinc/80/11/04/804801104.db2.gz YKQAVXUZYFZNJQ-AWEZNQCLSA-N 1 1 293.382 3.193 20 10 CGCDMO CC(C)(C)c1cccc(C[N@@H+]2CCC(=O)[C@@H](F)CC2)c1O ZINC001143104722 804801108 /nfs/dbraw/zinc/80/11/08/804801108.db2.gz YKQAVXUZYFZNJQ-AWEZNQCLSA-N 1 1 293.382 3.193 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143103616 804801278 /nfs/dbraw/zinc/80/12/78/804801278.db2.gz HKHKFWILNJXQQL-AWEZNQCLSA-N 1 1 277.408 3.301 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CC[C@@]3(CCCO3)C2)c1O ZINC001143104736 804801489 /nfs/dbraw/zinc/80/14/89/804801489.db2.gz YUPLFEYFPJJOIO-SFHVURJKSA-N 1 1 289.419 3.445 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CCC[C@H](O)CC2)c1O ZINC001143103783 804801808 /nfs/dbraw/zinc/80/18/08/804801808.db2.gz KEBJIWWVTZNVQA-AWEZNQCLSA-N 1 1 277.408 3.037 20 10 CGCDMO C[C@H]1C[C@H](O)CC[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143111478 804803667 /nfs/dbraw/zinc/80/36/67/804803667.db2.gz BYOBOSKMLLTJMT-GXTWGEPZSA-N 1 1 277.408 3.035 20 10 CGCDMO C[N@@H+](Cc1cccc(C(C)(C)C)c1O)[C@@H]1CCCOC1 ZINC001143117220 804806520 /nfs/dbraw/zinc/80/65/20/804806520.db2.gz XWNPLODNOPDYTI-CQSZACIVSA-N 1 1 277.408 3.301 20 10 CGCDMO Cc1nc(C[N@@H+]2CCc3cccc(O)c3C2)sc1C ZINC001144378597 804979966 /nfs/dbraw/zinc/97/99/66/804979966.db2.gz SMAPZHDJEUQEIK-UHFFFAOYSA-N 1 1 274.389 3.024 20 10 CGCDMO Cc1nc(C[N@H+]2CCc3cccc(O)c3C2)sc1C ZINC001144378597 804979970 /nfs/dbraw/zinc/97/99/70/804979970.db2.gz SMAPZHDJEUQEIK-UHFFFAOYSA-N 1 1 274.389 3.024 20 10 CGCDMO Oc1cccc2c1C[N@H+](Cc1nc(C3CC3)cs1)CC2 ZINC001249529935 805168190 /nfs/dbraw/zinc/16/81/90/805168190.db2.gz NYPJGDPACMNBKM-UHFFFAOYSA-N 1 1 286.400 3.284 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1nc(C3CC3)cs1)CC2 ZINC001249529935 805168195 /nfs/dbraw/zinc/16/81/95/805168195.db2.gz NYPJGDPACMNBKM-UHFFFAOYSA-N 1 1 286.400 3.284 20 10 CGCDMO Cc1cc(C[N@@H+]2CCC[C@@H]2C)c(O)cc1Br ZINC001250116931 805425627 /nfs/dbraw/zinc/42/56/27/805425627.db2.gz ISRJHDOQJSADKJ-JTQLQIEISA-N 1 1 284.197 3.447 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCO[C@@H](C)C1 ZINC001168138593 807320065 /nfs/dbraw/zinc/32/00/65/807320065.db2.gz AKSAMAIIFKALCR-YOEHRIQHSA-N 1 1 276.424 3.142 20 10 CGCDMO CCCCc1nc(NCc2ccc(O)c(O)c2)cc(C)[nH+]1 ZINC001169990227 807734336 /nfs/dbraw/zinc/73/43/36/807734336.db2.gz CQBGFJIDJAPEBJ-UHFFFAOYSA-N 1 1 287.363 3.151 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c(Cl)c1 ZINC001261366865 807739844 /nfs/dbraw/zinc/73/98/44/807739844.db2.gz IIHBQQIVEBGMQS-MLGOLLRUSA-N 1 1 295.810 3.355 20 10 CGCDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(N)cc1 ZINC001262488027 807867703 /nfs/dbraw/zinc/86/77/03/807867703.db2.gz NNCYNUQYOOPZCK-CYBMUJFWSA-N 1 1 270.376 3.037 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@@H](C)CCOC(C)C ZINC001172458095 808328912 /nfs/dbraw/zinc/32/89/12/808328912.db2.gz YEWSZNUDDHEYOL-AWEZNQCLSA-N 1 1 265.397 3.418 20 10 CGCDMO CC[N@H+]1C[C@H](C)N(Cc2cc(Cl)c(C)cc2O)C[C@@H]1C ZINC001180141337 809977368 /nfs/dbraw/zinc/97/73/68/809977368.db2.gz GEWQCMGWZPMMFY-STQMWFEESA-N 1 1 296.842 3.269 20 10 CGCDMO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC001180531761 810009384 /nfs/dbraw/zinc/00/93/84/810009384.db2.gz JQJXVFLBBDGIFR-DGCLKSJQSA-N 1 1 283.799 3.353 20 10 CGCDMO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC001180531761 810009390 /nfs/dbraw/zinc/00/93/90/810009390.db2.gz JQJXVFLBBDGIFR-DGCLKSJQSA-N 1 1 283.799 3.353 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](C3CCC3)C2)cc1 ZINC001195146367 811214663 /nfs/dbraw/zinc/21/46/63/811214663.db2.gz CONNOIAYVWTKAS-MRXNPFEDSA-N 1 1 258.409 3.375 20 10 CGCDMO CCC[N@@H+](Cc1ccc(OC)cc1O)[C@H](C)CC ZINC001203617030 812407988 /nfs/dbraw/zinc/40/79/88/812407988.db2.gz GNLANHAAXLAVAD-GFCCVEGCSA-N 1 1 251.370 3.411 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c(O)c1 ZINC001203620853 812409466 /nfs/dbraw/zinc/40/94/66/812409466.db2.gz JYTXZFGMVLXZFA-MRXNPFEDSA-N 1 1 284.359 3.133 20 10 CGCDMO C[N@@H+](Cc1cc(Cl)ccc1O)C1CC(F)(F)C1 ZINC001203648838 812415920 /nfs/dbraw/zinc/41/59/20/812415920.db2.gz WZBFPCQRMZVKJU-UHFFFAOYSA-N 1 1 261.699 3.275 20 10 CGCDMO CC[N@H+](CCN1CCCCC1)Cc1ccc(N(C)C)cc1 ZINC001203937641 812498133 /nfs/dbraw/zinc/49/81/33/812498133.db2.gz IJIJGPOUZNZCII-UHFFFAOYSA-N 1 1 289.467 3.060 20 10 CGCDMO CC[N@@H+](CCN1CCCCC1)Cc1ccc(N(C)C)cc1 ZINC001203937641 812498136 /nfs/dbraw/zinc/49/81/36/812498136.db2.gz IJIJGPOUZNZCII-UHFFFAOYSA-N 1 1 289.467 3.060 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCOC[C@H]2C(C)C)cc1 ZINC001203942908 812499284 /nfs/dbraw/zinc/49/92/84/812499284.db2.gz YDWXFDQONMANIO-SFHVURJKSA-N 1 1 290.451 3.390 20 10 CGCDMO C[N@H+](Cc1cccc(O)c1)Cc1cc(F)cc(F)c1O ZINC001204145404 812558299 /nfs/dbraw/zinc/55/82/99/812558299.db2.gz MZKWANYGQUSFJC-UHFFFAOYSA-N 1 1 279.286 3.008 20 10 CGCDMO C[N@@H+](Cc1cccc(O)c1)Cc1cc(F)cc(F)c1O ZINC001204145404 812558306 /nfs/dbraw/zinc/55/83/06/812558306.db2.gz MZKWANYGQUSFJC-UHFFFAOYSA-N 1 1 279.286 3.008 20 10 CGCDMO O=C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001204322593 812612831 /nfs/dbraw/zinc/61/28/31/812612831.db2.gz SZFSDLATRCVEGC-HDICACEKSA-N 1 1 298.430 3.373 20 10 CGCDMO O=C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001204322593 812612833 /nfs/dbraw/zinc/61/28/33/812612833.db2.gz SZFSDLATRCVEGC-HDICACEKSA-N 1 1 298.430 3.373 20 10 CGCDMO COc1cc(C[N@@H+]2CCc3ccccc3[C@H]2C)cc(O)c1O ZINC001204344659 812615986 /nfs/dbraw/zinc/61/59/86/812615986.db2.gz WQLDEBBCESAVOT-GFCCVEGCSA-N 1 1 299.370 3.226 20 10 CGCDMO COc1cc(C[N@H+]2CCc3ccccc3[C@H]2C)cc(O)c1O ZINC001204344659 812615990 /nfs/dbraw/zinc/61/59/90/812615990.db2.gz WQLDEBBCESAVOT-GFCCVEGCSA-N 1 1 299.370 3.226 20 10 CGCDMO C[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@H]1CCCOC1 ZINC001207467467 813569137 /nfs/dbraw/zinc/56/91/37/813569137.db2.gz FRHMYEKCTCSTGI-QGZVFWFLSA-N 1 1 288.435 3.145 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)CCCc2ccncc2)cc1 ZINC001209189702 813959310 /nfs/dbraw/zinc/95/93/10/813959310.db2.gz QFLYUAUPRNVXON-UHFFFAOYSA-N 1 1 283.419 3.212 20 10 CGCDMO CC[N@@H+](CCOc1ccccc1)Cc1ccccc1O ZINC001209301309 813996506 /nfs/dbraw/zinc/99/65/06/813996506.db2.gz QMKCSHSINAIONQ-UHFFFAOYSA-N 1 1 271.360 3.293 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC001209517171 814070561 /nfs/dbraw/zinc/07/05/61/814070561.db2.gz ABTBEXULWLWTHG-MSOLQXFVSA-N 1 1 282.387 3.067 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC001209517171 814070566 /nfs/dbraw/zinc/07/05/66/814070566.db2.gz ABTBEXULWLWTHG-MSOLQXFVSA-N 1 1 282.387 3.067 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)cc1 ZINC001209516170 814071661 /nfs/dbraw/zinc/07/16/61/814071661.db2.gz BOUUDOPPTLAOHE-AUUYWEPGSA-N 1 1 298.430 3.297 20 10 CGCDMO Cn1ccc2c1cc[nH+]c2-c1cnc(N2CCCCC2)nc1 ZINC001222095395 816346844 /nfs/dbraw/zinc/34/68/44/816346844.db2.gz OBGIOUCURUHFTH-UHFFFAOYSA-N 1 1 293.374 3.021 20 10 CGCDMO Cc1cccc(C[N@H+]2CCCC[C@@](C)(F)C2)c1O ZINC001231590636 818131428 /nfs/dbraw/zinc/13/14/28/818131428.db2.gz CNKBHTGQVRTNFT-OAHLLOKOSA-N 1 1 251.345 3.415 20 10 CGCDMO Cc1cccc(C[N@@H+](C)CCC(=O)c2cccs2)c1O ZINC001231594416 818131441 /nfs/dbraw/zinc/13/14/41/818131441.db2.gz GQJJKUKQEOTFBH-UHFFFAOYSA-N 1 1 289.400 3.467 20 10 CGCDMO CCCCCCN1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC001231593260 818131740 /nfs/dbraw/zinc/13/17/40/818131740.db2.gz SFYHBUHFUVMCAZ-UHFFFAOYSA-N 1 1 290.451 3.399 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@H]2Cc2ccccn2)c1O ZINC001231591925 818132257 /nfs/dbraw/zinc/13/22/57/818132257.db2.gz COAOTFQHHPWBLX-KRWDZBQOSA-N 1 1 282.387 3.303 20 10 CGCDMO COc1cc2c(cc1OC)C[NH+](Cc1cccc(C)c1O)C2 ZINC001231595141 818133362 /nfs/dbraw/zinc/13/33/62/818133362.db2.gz PABWJPGHPBPKGZ-UHFFFAOYSA-N 1 1 299.370 3.234 20 10 CGCDMO COc1cc(C[N@@H+](C)[C@H]2CCc3ccccc32)c(O)cc1O ZINC001231640734 818143576 /nfs/dbraw/zinc/14/35/76/818143576.db2.gz UKPZBQOCIWLENT-HNNXBMFYSA-N 1 1 299.370 3.226 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@H](c3ccccc3)C2)c(O)cc1O ZINC001231634323 818143752 /nfs/dbraw/zinc/14/37/52/818143752.db2.gz LHFVYYPDFKWQHA-AWEZNQCLSA-N 1 1 299.370 3.096 20 10 CGCDMO CCCO[C@@H]1CC[N@@H+](Cc2c(C)cc(C)cc2O)C1 ZINC001231844018 818186440 /nfs/dbraw/zinc/18/64/40/818186440.db2.gz DVGKLDXPJOBEGO-CQSZACIVSA-N 1 1 263.381 3.010 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)c(O)c1 ZINC001231844511 818187896 /nfs/dbraw/zinc/18/78/96/818187896.db2.gz LRVPXHJHKBJIRF-RHSMWYFYSA-N 1 1 275.392 3.010 20 10 CGCDMO COc1cc(N(C)C)ccc1C[NH+]1Cc2ccccc2C1 ZINC001231849238 818188456 /nfs/dbraw/zinc/18/84/56/818188456.db2.gz PLYIILXCSCLGPF-UHFFFAOYSA-N 1 1 282.387 3.277 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](F)CC1 ZINC001231849803 818188793 /nfs/dbraw/zinc/18/87/93/818188793.db2.gz ZLXCUGFEEYXZRA-AWEZNQCLSA-N 1 1 280.387 3.085 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)cc1Cl ZINC001231871978 818193889 /nfs/dbraw/zinc/19/38/89/818193889.db2.gz TWZUEPIIZGQQTI-AAEUAGOBSA-N 1 1 293.794 3.155 20 10 CGCDMO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc2ccccc2c1O ZINC001231879338 818200289 /nfs/dbraw/zinc/20/02/89/818200289.db2.gz BSEKUBYWFUZMCE-BXUZGUMPSA-N 1 1 259.324 3.478 20 10 CGCDMO CCCCN1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC001231882754 818201524 /nfs/dbraw/zinc/20/15/24/818201524.db2.gz UOWFNZTXVKTLDS-UHFFFAOYSA-N 1 1 298.430 3.463 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001231909405 818209257 /nfs/dbraw/zinc/20/92/57/818209257.db2.gz CJFHXIWVMQHNDM-OAHLLOKOSA-N 1 1 281.783 3.191 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232194497 818274455 /nfs/dbraw/zinc/27/44/55/818274455.db2.gz IQJXTHQOFMNXFJ-CYBMUJFWSA-N 1 1 294.826 3.018 20 10 CGCDMO CCC(CC)[N@@H+](C)Cc1ccc(N(C)C)cc1O ZINC001232839343 818452986 /nfs/dbraw/zinc/45/29/86/818452986.db2.gz HHJVJMLFWDYVKR-UHFFFAOYSA-N 1 1 250.386 3.079 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC3(CCC3)C2)c(O)c1 ZINC001232841717 818453640 /nfs/dbraw/zinc/45/36/40/818453640.db2.gz PNUVDNQSMZQBLP-UHFFFAOYSA-N 1 1 274.408 3.224 20 10 CGCDMO CCC[N@H+](Cc1ccc(N(C)C)cc1O)CC(C)C ZINC001232840477 818453748 /nfs/dbraw/zinc/45/37/48/818453748.db2.gz BEHPLLSGEVHNSE-UHFFFAOYSA-N 1 1 264.413 3.326 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c1 ZINC001233286880 818567211 /nfs/dbraw/zinc/56/72/11/818567211.db2.gz MRFCBVLVQHSVGO-MRXNPFEDSA-N 1 1 291.435 3.425 20 10 CGCDMO CCCOC1C[NH+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286521 818567341 /nfs/dbraw/zinc/56/73/41/818567341.db2.gz XFIMDBFIPLIBEO-UHFFFAOYSA-N 1 1 277.408 3.301 20 10 CGCDMO C[C@H]1CC[C@H](CO)C[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233284334 818567385 /nfs/dbraw/zinc/56/73/85/818567385.db2.gz QSUCJBKWZRSUSX-KBPBESRZSA-N 1 1 291.435 3.283 20 10 CGCDMO CC(=O)[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286603 818567756 /nfs/dbraw/zinc/56/77/56/818567756.db2.gz AOSIWDXTWGBRIK-CYBMUJFWSA-N 1 1 275.392 3.101 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@@]23CCOC3)c1 ZINC001233286798 818568354 /nfs/dbraw/zinc/56/83/54/818568354.db2.gz IZTHWNFIMUAQCM-KRWDZBQOSA-N 1 1 275.392 3.055 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCOCC23CC3)c1 ZINC001233286742 818568515 /nfs/dbraw/zinc/56/85/15/818568515.db2.gz HJMXBLGGTALCKO-UHFFFAOYSA-N 1 1 275.392 3.055 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCOCC23CC3)c1 ZINC001233286742 818568524 /nfs/dbraw/zinc/56/85/24/818568524.db2.gz HJMXBLGGTALCKO-UHFFFAOYSA-N 1 1 275.392 3.055 20 10 CGCDMO CC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233287565 818571166 /nfs/dbraw/zinc/57/11/66/818571166.db2.gz XCNHHRTYRFGMOV-HNNXBMFYSA-N 1 1 275.392 3.243 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2c([O-])ccc(F)c2F)C2(CC2)C1 ZINC001233336093 818589036 /nfs/dbraw/zinc/58/90/36/818589036.db2.gz YGEDKWMMQDKHNW-SECBINFHSA-N 1 1 253.292 3.045 20 10 CGCDMO C[C@H]1C[N@H+](Cc2c(O)ccc(F)c2F)C2(CC2)C1 ZINC001233336093 818589042 /nfs/dbraw/zinc/58/90/42/818589042.db2.gz YGEDKWMMQDKHNW-SECBINFHSA-N 1 1 253.292 3.045 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2c(O)ccc(F)c2F)C2(CC2)C1 ZINC001233336093 818589049 /nfs/dbraw/zinc/58/90/49/818589049.db2.gz YGEDKWMMQDKHNW-SECBINFHSA-N 1 1 253.292 3.045 20 10 CGCDMO Oc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H](F)C1 ZINC001233454445 818624012 /nfs/dbraw/zinc/62/40/12/818624012.db2.gz VJMVTALXIODWDE-LLVKDONJSA-N 1 1 277.261 3.345 20 10 CGCDMO Oc1c(C[N@H+]2CCCC23CC3)cccc1OC(F)(F)F ZINC001233727236 818692161 /nfs/dbraw/zinc/69/21/61/818692161.db2.gz KTVLLBCPDWPJSU-UHFFFAOYSA-N 1 1 287.281 3.419 20 10 CGCDMO OC[C@H]1CCCC[N@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234992261 818969371 /nfs/dbraw/zinc/96/93/71/818969371.db2.gz OEQMNOCJNDWYIU-QGZVFWFLSA-N 1 1 297.398 3.406 20 10 CGCDMO Oc1c(C[N@@H+]2CCC23COC3)cccc1-c1ccccc1 ZINC001234996876 818972807 /nfs/dbraw/zinc/97/28/07/818972807.db2.gz OGLCXTPHLACMAY-UHFFFAOYSA-N 1 1 281.355 3.034 20 10 CGCDMO Oc1c(C[N@H+]2CCC23COC3)cccc1-c1ccccc1 ZINC001234996876 818972814 /nfs/dbraw/zinc/97/28/14/818972814.db2.gz OGLCXTPHLACMAY-UHFFFAOYSA-N 1 1 281.355 3.034 20 10 CGCDMO CC(=O)C[N@H+](C)Cc1cccc(-c2ccccc2)c1O ZINC001235000428 818975078 /nfs/dbraw/zinc/97/50/78/818975078.db2.gz IHDLXVVOVHMTBE-UHFFFAOYSA-N 1 1 269.344 3.080 20 10 CGCDMO C[C@H]1CC[C@@H](CO)[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235674238 819134703 /nfs/dbraw/zinc/13/47/03/819134703.db2.gz DUSLZIJTXWPPIE-WFASDCNBSA-N 1 1 277.408 3.035 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCN[C@H](c3ccccc3)C2)c(O)c1 ZINC001235857485 819187609 /nfs/dbraw/zinc/18/76/09/819187609.db2.gz URGQSZCBRIGUIJ-SFHVURJKSA-N 1 1 296.414 3.156 20 10 CGCDMO CCc1ccc(C[N@H+]2CC[C@](C)(CF)C2)c(O)c1 ZINC001236783610 819593928 /nfs/dbraw/zinc/59/39/28/819593928.db2.gz NECRFVQWHOAEGD-OAHLLOKOSA-N 1 1 251.345 3.136 20 10 CGCDMO CCc1ccc(C[N@H+]2CCn3cccc3[C@H]2C)c(O)c1 ZINC001236786357 819595014 /nfs/dbraw/zinc/59/50/14/819595014.db2.gz AMYBUQAYJVYMCO-CYBMUJFWSA-N 1 1 270.376 3.333 20 10 CGCDMO CCc1ccc(C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C)c(O)c1 ZINC001236792486 819596473 /nfs/dbraw/zinc/59/64/73/819596473.db2.gz QQEORKBZLJULRF-LBPRGKRZSA-N 1 1 293.407 3.117 20 10 CGCDMO CCc1ccc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C)c(O)c1 ZINC001236792486 819596479 /nfs/dbraw/zinc/59/64/79/819596479.db2.gz QQEORKBZLJULRF-LBPRGKRZSA-N 1 1 293.407 3.117 20 10 CGCDMO CCC[N@H+](Cc1cc(Cl)cc(C)c1O)C[C@H]1CC[NH2+]C1 ZINC001236842686 819619275 /nfs/dbraw/zinc/61/92/75/819619275.db2.gz HJFGNGDGQXEBGW-ZDUSSCGKSA-N 1 1 296.842 3.176 20 10 CGCDMO CC[N@@H+](Cc1ccc(N2CCOCC2)cc1Cl)C1CC1 ZINC001236928117 819638434 /nfs/dbraw/zinc/63/84/34/819638434.db2.gz IALXWHYTAYPNAQ-UHFFFAOYSA-N 1 1 294.826 3.161 20 10 CGCDMO CC(C)c1ccc(C[NH+]2CCN(C(C)C)CC2)c(O)c1 ZINC001237047017 819650941 /nfs/dbraw/zinc/65/09/41/819650941.db2.gz YOROBKZZNUFMPT-UHFFFAOYSA-N 1 1 276.424 3.042 20 10 CGCDMO CC(C)c1ccc(C[N@@H+]2CCOC[C@@H]2C(C)C)c(O)c1 ZINC001237048394 819651983 /nfs/dbraw/zinc/65/19/83/819651983.db2.gz FBPQPTZPMWOWQX-MRXNPFEDSA-N 1 1 277.408 3.372 20 10 CGCDMO C[C@@H]1CCC[N@H+]1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237052398 819652860 /nfs/dbraw/zinc/65/28/60/819652860.db2.gz XGVBXAPGKYFXJT-SNVBAGLBSA-N 1 1 289.297 3.318 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c(O)c1 ZINC001237054370 819654419 /nfs/dbraw/zinc/65/44/19/819654419.db2.gz XCHZPNDPURQMJA-SOUVJXGZSA-N 1 1 263.356 3.448 20 10 CGCDMO Oc1ccc(F)c(Cl)c1C[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001237124210 819672511 /nfs/dbraw/zinc/67/25/11/819672511.db2.gz NCCKTDIFQFCZAK-HNNXBMFYSA-N 1 1 299.773 3.330 20 10 CGCDMO CC1(C)C[N@@H+](Cc2c(O)ccc(F)c2Cl)CCCO1 ZINC001237126623 819673362 /nfs/dbraw/zinc/67/33/62/819673362.db2.gz NVZIVDUDPZVXOT-UHFFFAOYSA-N 1 1 287.762 3.186 20 10 CGCDMO Oc1ccc(C(F)(F)F)cc1C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001237142329 819676784 /nfs/dbraw/zinc/67/67/84/819676784.db2.gz HNHJNYJDAVNDNC-CNDDSTCGSA-N 1 1 289.272 3.058 20 10 CGCDMO CN(C)c1ccc(C[N@H+](C)Cc2cc3ccccn3n2)cc1 ZINC001237451670 819754371 /nfs/dbraw/zinc/75/43/71/819754371.db2.gz MBYHCURRSRFIFM-UHFFFAOYSA-N 1 1 294.402 3.032 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cc3ccccn3n2)cc1 ZINC001237451670 819754374 /nfs/dbraw/zinc/75/43/74/819754374.db2.gz MBYHCURRSRFIFM-UHFFFAOYSA-N 1 1 294.402 3.032 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+](C)CCC(=O)c1ccccc1 ZINC001237488499 819762052 /nfs/dbraw/zinc/76/20/52/819762052.db2.gz ZBNCQZCBIUZUDP-UHFFFAOYSA-N 1 1 283.371 3.405 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+]1CCN(C)[C@H](c2ccccc2)C1 ZINC001237489095 819762119 /nfs/dbraw/zinc/76/21/19/819762119.db2.gz FGCBWBDDCLHVMR-SFHVURJKSA-N 1 1 296.414 3.189 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCCC(=O)[C@@H](C)C2)c1O ZINC001237681755 819806000 /nfs/dbraw/zinc/80/60/00/819806000.db2.gz QHRMPYNVZHSZLO-NSHDSACASA-N 1 1 281.783 3.155 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCCC(=O)[C@@H](C)C2)c1O ZINC001237681755 819806010 /nfs/dbraw/zinc/80/60/10/819806010.db2.gz QHRMPYNVZHSZLO-NSHDSACASA-N 1 1 281.783 3.155 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC001237938086 819889781 /nfs/dbraw/zinc/88/97/81/819889781.db2.gz XNPRNPWQLLJJQC-UHFFFAOYSA-N 1 1 299.773 3.187 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@H+]1CCC2(C1)CCOCC2 ZINC001237938086 819889791 /nfs/dbraw/zinc/88/97/91/819889791.db2.gz XNPRNPWQLLJJQC-UHFFFAOYSA-N 1 1 299.773 3.187 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CCCC[C@@H](F)C2)c1O ZINC001238057746 819919280 /nfs/dbraw/zinc/91/92/80/819919280.db2.gz MBUIOLCRKMMOOM-GFCCVEGCSA-N 1 1 255.308 3.164 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CCOc3ccccc3C2)c1O ZINC001238062243 819920571 /nfs/dbraw/zinc/92/05/71/819920571.db2.gz OEFZFAZHEVNGTJ-UHFFFAOYSA-N 1 1 287.334 3.234 20 10 CGCDMO Cc1cc(F)cc(C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)c1O ZINC001238064784 819921504 /nfs/dbraw/zinc/92/15/04/819921504.db2.gz QNVKBGZZZZUYPZ-JSGCOSHPSA-N 1 1 273.298 3.112 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CC[C@](C)(F)[C@@H](F)C2)c1O ZINC001238064784 819921514 /nfs/dbraw/zinc/92/15/14/819921514.db2.gz QNVKBGZZZZUYPZ-JSGCOSHPSA-N 1 1 273.298 3.112 20 10 CGCDMO Cc1cnc2c(c1)C[N@H+](Cc1cc(F)cc(C)c1O)CC2 ZINC001238066100 819923224 /nfs/dbraw/zinc/92/32/24/819923224.db2.gz HXECUKOKSUXOTF-UHFFFAOYSA-N 1 1 286.350 3.101 20 10 CGCDMO CC(C)Oc1cncc(C[N@H+]2CCc3cccc(O)c3C2)c1 ZINC001238472471 820012643 /nfs/dbraw/zinc/01/26/43/820012643.db2.gz YBBXWODIGAVFCQ-UHFFFAOYSA-N 1 1 298.386 3.133 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC001339605051 936379027 /nfs/dbraw/zinc/37/90/27/936379027.db2.gz OXMHBBLBNOWSNH-UHFFFAOYSA-N 1 1 298.342 3.433 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC001339605051 936379032 /nfs/dbraw/zinc/37/90/32/936379032.db2.gz OXMHBBLBNOWSNH-UHFFFAOYSA-N 1 1 298.342 3.433 20 10 CGCDMO Nc1ccc(C[N@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)cc1 ZINC001345159307 936804538 /nfs/dbraw/zinc/80/45/38/936804538.db2.gz FWQJRMPVQAMJMS-RBUKOAKNSA-N 1 1 296.414 3.357 20 10 CGCDMO [NH3+]C1(CNCc2ccc(N3CCCC3)cc2)CCCCC1 ZINC001348515056 936924509 /nfs/dbraw/zinc/92/45/09/936924509.db2.gz JIJKXTXGAPCJQD-UHFFFAOYSA-N 1 1 287.451 3.038 20 10 CGCDMO CC[C@H]([NH2+]CCCC[NH3+])c1ccc(C(F)(F)F)cc1[O-] ZINC001348854076 936936502 /nfs/dbraw/zinc/93/65/02/936936502.db2.gz XFQHSNMTOFOVSZ-LBPRGKRZSA-N 1 1 290.329 3.191 20 10 CGCDMO Nc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC001352789549 937049592 /nfs/dbraw/zinc/04/95/92/937049592.db2.gz KKDDYALLGFICAU-QGZVFWFLSA-N 1 1 268.360 3.312 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1O ZINC001140178223 926714864 /nfs/dbraw/zinc/71/48/64/926714864.db2.gz CZPFQPNUCHGXGX-HOCLYGCPSA-N 1 1 275.392 3.010 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCC[C@H](F)CC2)c1O ZINC001140178610 931957167 /nfs/dbraw/zinc/95/71/67/931957167.db2.gz QMEXNJYGQHTEQT-ZDUSSCGKSA-N 1 1 251.345 3.333 20 10 CGCDMO C[C@@H](COc1ccccc1)[NH2+]Cc1cc(F)cc(F)c1O ZINC001461118750 937564629 /nfs/dbraw/zinc/56/46/29/937564629.db2.gz YDAIKFYCWYJTCE-NSHDSACASA-N 1 1 293.313 3.228 20 10 CGCDMO COC1CCC([N@H+](C)Cc2cc(F)c(F)cc2O)CC1 ZINC001461958964 937609174 /nfs/dbraw/zinc/60/91/74/937609174.db2.gz DKQOIUMUYNISCD-UHFFFAOYSA-N 1 1 285.334 3.060 20 10 CGCDMO COC1CCC([N@@H+](C)Cc2cc(F)c(F)cc2O)CC1 ZINC001461958964 937609176 /nfs/dbraw/zinc/60/91/76/937609176.db2.gz DKQOIUMUYNISCD-UHFFFAOYSA-N 1 1 285.334 3.060 20 10 CGCDMO CCC[C@@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC001461963813 937609386 /nfs/dbraw/zinc/60/93/86/937609386.db2.gz WVAJAKNANPCBHH-LZCIBIBXSA-N 1 1 288.435 3.267 20 10 CGCDMO CCC[C@@H]1C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC001461963813 937609387 /nfs/dbraw/zinc/60/93/87/937609387.db2.gz WVAJAKNANPCBHH-LZCIBIBXSA-N 1 1 288.435 3.267 20 10 CGCDMO Cc1nnc([C@H](C)[NH2+]Cc2ccc(Cl)cc2O)s1 ZINC001308672701 933154594 /nfs/dbraw/zinc/15/45/94/933154594.db2.gz NMKXYQQUCDDQPC-ZETCQYMHSA-N 1 1 283.784 3.056 20 10 CGCDMO C[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)c(F)cc1O ZINC001308716145 933164340 /nfs/dbraw/zinc/16/43/40/933164340.db2.gz QFLHFXTUIOUVNE-VHSXEESVSA-N 1 1 255.308 3.196 20 10 CGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001326831628 935011794 /nfs/dbraw/zinc/01/17/94/935011794.db2.gz IINPLPZPZMFWQZ-SFHVURJKSA-N 1 1 288.435 3.288 20 10 CGCDMO CC(C)[C@@H](O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC001327499613 935064961 /nfs/dbraw/zinc/06/49/61/935064961.db2.gz QLHPLZCZZDPLCI-SFHVURJKSA-N 1 1 290.451 3.126 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC001327632683 935074446 /nfs/dbraw/zinc/07/44/46/935074446.db2.gz SMRKECQADLWPIO-UHFFFAOYSA-N 1 1 295.382 3.454 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N(C)C)c1c(O)cccc1F ZINC001331251131 935361344 /nfs/dbraw/zinc/36/13/44/935361344.db2.gz CAFBOKVWNPEHOA-IACUBPJLSA-N 1 1 280.387 3.055 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCC[C@H](F)C1 ZINC001331287850 935365456 /nfs/dbraw/zinc/36/54/56/935365456.db2.gz CHLMJDONDMKZGR-GXSJLCMTSA-N 1 1 259.271 3.041 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)c1c(O)cccc1F ZINC001332365921 935462806 /nfs/dbraw/zinc/46/28/06/935462806.db2.gz SEJHMWAMZYCLRO-HBNTYKKESA-N 1 1 255.308 3.463 20 10 CGCDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(N)cc2)C1 ZINC001334774152 936113034 /nfs/dbraw/zinc/11/30/34/936113034.db2.gz DVPHIOAREBBFQP-SUMWQHHRSA-N 1 1 267.376 3.247 20 10 CGCDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc(N)cc1 ZINC001336287090 936186109 /nfs/dbraw/zinc/18/61/09/936186109.db2.gz XJBAZYVKXREWML-CMPLNLGQSA-N 1 1 272.314 3.432 20 10 CGCDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc(N)cc1 ZINC001336287091 936186162 /nfs/dbraw/zinc/18/61/62/936186162.db2.gz XJBAZYVKXREWML-JQWIXIFHSA-N 1 1 272.314 3.432 20 10 CGCDMO Nc1ccc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)cc1 ZINC001336284731 936186295 /nfs/dbraw/zinc/18/62/95/936186295.db2.gz CEFROZHSZWFQEU-KRWDZBQOSA-N 1 1 274.408 3.192 20 10 CGCDMO Cc1ccc(C[N@@H+](C)CCOCc2ccccc2)c(O)c1 ZINC001474353946 937853541 /nfs/dbraw/zinc/85/35/41/937853541.db2.gz YDDJFYAVGVMGMX-UHFFFAOYSA-N 1 1 285.387 3.349 20 10 CGCDMO CCCCC[N@@H+](CCO)Cc1ccc(Cl)cc1O ZINC001474414084 937858062 /nfs/dbraw/zinc/85/80/62/937858062.db2.gz MTBUTDOKOQHNMW-UHFFFAOYSA-N 1 1 271.788 3.030 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C(=O)OC)[C@H](C)CC ZINC001559570941 938229732 /nfs/dbraw/zinc/22/97/32/938229732.db2.gz HGEINEUCSMUKGI-CJNGLKHVSA-N 1 1 293.407 3.192 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH2+]CCC(F)F)c1 ZINC001560617628 938265853 /nfs/dbraw/zinc/26/58/53/938265853.db2.gz BTKYMQOWLLBELH-UHFFFAOYSA-N 1 1 294.139 3.208 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCOC(C)(C)[C@@H]2C)cc1Cl ZINC001560688050 938270267 /nfs/dbraw/zinc/27/02/67/938270267.db2.gz WLXFQCUIOHATEH-NSHDSACASA-N 1 1 283.799 3.353 20 10 CGCDMO Cc1cc(O)c(C[N@H+](CCN(C)C)CC(C)C)cc1Cl ZINC001560816630 938277516 /nfs/dbraw/zinc/27/75/16/938277516.db2.gz ZDJKPLYBNXLTMX-UHFFFAOYSA-N 1 1 298.858 3.374 20 10 CGCDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CC1(C[NH3+])CCC1 ZINC001575690428 962411464 /nfs/dbraw/zinc/41/14/64/962411464.db2.gz WTIKUXGEBORZOR-UHFFFAOYSA-N 1 1 289.467 3.092 20 10 CGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)CC1(CN)CCC1 ZINC001575690428 962411470 /nfs/dbraw/zinc/41/14/70/962411470.db2.gz WTIKUXGEBORZOR-UHFFFAOYSA-N 1 1 289.467 3.092 20 10 CGCDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CC1(CN)CCC1 ZINC001575690428 962411475 /nfs/dbraw/zinc/41/14/75/962411475.db2.gz WTIKUXGEBORZOR-UHFFFAOYSA-N 1 1 289.467 3.092 20 10 CGCDMO CCCOc1ccc(CN[C@H]2C[C@H]([NH3+])C23CCC3)cc1C ZINC001577585729 962559571 /nfs/dbraw/zinc/55/95/71/962559571.db2.gz ACTIAFMOSQXYEE-IRXDYDNUSA-N 1 1 288.435 3.143 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CCSC1)c1ccc(F)cc1O ZINC000287746015 371700886 /nfs/dbraw/zinc/70/08/86/371700886.db2.gz ZABKQDWDMLYPDU-MFKMUULPSA-N 1 1 269.385 3.325 20 10 CGCDMO Cc1cccc(C[N@H+]2CCCC[C@@H](N3CCCC3)C2)c1O ZINC000179957247 373946927 /nfs/dbraw/zinc/94/69/27/373946927.db2.gz ZURDLVGXZUZGPY-QGZVFWFLSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1cccc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)c1O ZINC000179957247 373946931 /nfs/dbraw/zinc/94/69/31/373946931.db2.gz ZURDLVGXZUZGPY-QGZVFWFLSA-N 1 1 288.435 3.151 20 10 CGCDMO CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC000180524349 374016466 /nfs/dbraw/zinc/01/64/66/374016466.db2.gz VZWWBXLFGBWCDV-CYBMUJFWSA-N 1 1 296.842 3.209 20 10 CGCDMO CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180524349 374016470 /nfs/dbraw/zinc/01/64/70/374016470.db2.gz VZWWBXLFGBWCDV-CYBMUJFWSA-N 1 1 296.842 3.209 20 10 CGCDMO CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180524349 374016477 /nfs/dbraw/zinc/01/64/77/374016477.db2.gz VZWWBXLFGBWCDV-CYBMUJFWSA-N 1 1 296.842 3.209 20 10 CGCDMO CCC[N@H+](Cc1c(Cl)cnn1C)Cc1ccccc1O ZINC000187087274 374967924 /nfs/dbraw/zinc/96/79/24/374967924.db2.gz SYAXBPPYGVCHLX-UHFFFAOYSA-N 1 1 293.798 3.191 20 10 CGCDMO CCC[N@@H+](Cc1c(Cl)cnn1C)Cc1ccccc1O ZINC000187087274 374967929 /nfs/dbraw/zinc/96/79/29/374967929.db2.gz SYAXBPPYGVCHLX-UHFFFAOYSA-N 1 1 293.798 3.191 20 10 CGCDMO CCN1CC[C@@H]([NH2+]Cc2c(C)c3ccccc3n2C)[C@H](C)C1 ZINC000475200318 375131645 /nfs/dbraw/zinc/13/16/45/375131645.db2.gz ZXUNAAGWJWRSBP-RHSMWYFYSA-N 1 1 299.462 3.307 20 10 CGCDMO CC[N@@H+]1CC[C@@H](NCc2c(C)c3ccccc3n2C)[C@H](C)C1 ZINC000475200318 375131650 /nfs/dbraw/zinc/13/16/50/375131650.db2.gz ZXUNAAGWJWRSBP-RHSMWYFYSA-N 1 1 299.462 3.307 20 10 CGCDMO CC[N@H+]1CC[C@@H](NCc2c(C)c3ccccc3n2C)[C@H](C)C1 ZINC000475200318 375131654 /nfs/dbraw/zinc/13/16/54/375131654.db2.gz ZXUNAAGWJWRSBP-RHSMWYFYSA-N 1 1 299.462 3.307 20 10 CGCDMO C[C@@H]([NH2+]CC(C)(C)O)c1cc(Cl)c(Cl)cc1O ZINC000192850844 375795442 /nfs/dbraw/zinc/79/54/42/375795442.db2.gz IKHGXHWGIYLKLO-SSDOTTSWSA-N 1 1 278.179 3.121 20 10 CGCDMO C[C@H]([NH2+]CC1(C)COC1)c1cc(Cl)c(Cl)cc1O ZINC000192859736 375796022 /nfs/dbraw/zinc/79/60/22/375796022.db2.gz HADALDOKRZVELS-QMMMGPOBSA-N 1 1 290.190 3.386 20 10 CGCDMO COCCCC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000265414096 378001853 /nfs/dbraw/zinc/00/18/53/378001853.db2.gz VJAOMZHIZKLZPJ-UHFFFAOYSA-N 1 1 276.424 3.144 20 10 CGCDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000269795160 378267444 /nfs/dbraw/zinc/26/74/44/378267444.db2.gz BFMBOQOFVDHSKY-HIFRSBDPSA-N 1 1 285.387 3.281 20 10 CGCDMO COCC[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000271046577 378438535 /nfs/dbraw/zinc/43/85/35/378438535.db2.gz RMQTUMHGLHEFEV-UHFFFAOYSA-N 1 1 271.360 3.137 20 10 CGCDMO COc1cccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)c1O ZINC000271182820 378474721 /nfs/dbraw/zinc/47/47/21/378474721.db2.gz ICJTVKANBHWLDA-UHFFFAOYSA-N 1 1 287.281 3.095 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](COC)C2)cc1 ZINC000271214507 378483790 /nfs/dbraw/zinc/48/37/90/378483790.db2.gz ZKGSJUKPDAAGIH-MRXNPFEDSA-N 1 1 276.424 3.001 20 10 CGCDMO Cc1cccc(C[N@@H+](C)C2CCN(C(C)C)CC2)c1O ZINC000271790181 378504166 /nfs/dbraw/zinc/50/41/66/378504166.db2.gz IUCVTRRQEWVIOV-UHFFFAOYSA-N 1 1 276.424 3.005 20 10 CGCDMO Cc1cccc(C[N@H+](C)C2CCN(C(C)C)CC2)c1O ZINC000271790181 378504172 /nfs/dbraw/zinc/50/41/72/378504172.db2.gz IUCVTRRQEWVIOV-UHFFFAOYSA-N 1 1 276.424 3.005 20 10 CGCDMO C[N@@H+](CCc1ccncc1)Cc1c(O)cccc1Cl ZINC000273430552 378746471 /nfs/dbraw/zinc/74/64/71/378746471.db2.gz SXGHNBIJXRJMCP-UHFFFAOYSA-N 1 1 276.767 3.115 20 10 CGCDMO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3c[nH]nc32)c(O)c1 ZINC000273494506 378750393 /nfs/dbraw/zinc/75/03/93/378750393.db2.gz OVMGHKSGLCFHCS-SMDDNHRTSA-N 1 1 271.364 3.152 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@H](OCC3CC3)C2)c1O ZINC000373536275 379295937 /nfs/dbraw/zinc/29/59/37/379295937.db2.gz VJCBBLOLTIBEFQ-INIZCTEOSA-N 1 1 275.392 3.092 20 10 CGCDMO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2nccs2)c1 ZINC000375017387 379485667 /nfs/dbraw/zinc/48/56/67/379485667.db2.gz HGUDVVHULXXPHE-CYBMUJFWSA-N 1 1 290.388 3.194 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2nccs2)c1 ZINC000375017387 379485675 /nfs/dbraw/zinc/48/56/75/379485675.db2.gz HGUDVVHULXXPHE-CYBMUJFWSA-N 1 1 290.388 3.194 20 10 CGCDMO Cc1c[nH]nc1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000284273339 380137397 /nfs/dbraw/zinc/13/73/97/380137397.db2.gz SMBOLPGTSDQWIM-UHFFFAOYSA-N 1 1 298.434 3.340 20 10 CGCDMO Cc1c[nH]nc1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000284273339 380137400 /nfs/dbraw/zinc/13/74/00/380137400.db2.gz SMBOLPGTSDQWIM-UHFFFAOYSA-N 1 1 298.434 3.340 20 10 CGCDMO Cc1noc([C@@H]2CCC[N@H+]2Cc2cc(C)c(C)cc2O)n1 ZINC000285189193 380144474 /nfs/dbraw/zinc/14/44/74/380144474.db2.gz ROKUEFFMQPKOGL-AWEZNQCLSA-N 1 1 287.363 3.038 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc(F)cc1O ZINC000286078836 380159474 /nfs/dbraw/zinc/15/94/74/380159474.db2.gz LLHJSUNBTRVBCZ-ZANVPECISA-N 1 1 263.316 3.056 20 10 CGCDMO Cc1cc(Cl)cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1O ZINC000362238468 381914462 /nfs/dbraw/zinc/91/44/62/381914462.db2.gz QQKDKPZWUZRKID-LSDHHAIUSA-N 1 1 294.826 3.070 20 10 CGCDMO Cc1cc(Cl)cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1O ZINC000362238468 381914470 /nfs/dbraw/zinc/91/44/70/381914470.db2.gz QQKDKPZWUZRKID-LSDHHAIUSA-N 1 1 294.826 3.070 20 10 CGCDMO Cc1cc(NCc2ccc(N(C)C)cc2C)nc(C)[nH+]1 ZINC000301307747 392586862 /nfs/dbraw/zinc/58/68/62/392586862.db2.gz VWYCFNFAADCKLX-UHFFFAOYSA-N 1 1 270.380 3.080 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000372176459 392591114 /nfs/dbraw/zinc/59/11/14/392591114.db2.gz SESAFGJLLRIVJM-CVEARBPZSA-N 1 1 297.398 3.404 20 10 CGCDMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000173498964 392627130 /nfs/dbraw/zinc/62/71/30/392627130.db2.gz AEVVOTFCZFLBLI-AWEZNQCLSA-N 1 1 269.392 3.341 20 10 CGCDMO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1ccccc1O ZINC000179568493 392704125 /nfs/dbraw/zinc/70/41/25/392704125.db2.gz LNKBDYHLDPLBKZ-KSSFIOAISA-N 1 1 283.371 3.354 20 10 CGCDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1ccccc1O ZINC000179568504 392704944 /nfs/dbraw/zinc/70/49/44/392704944.db2.gz LNKBDYHLDPLBKZ-RDTXWAMCSA-N 1 1 283.371 3.354 20 10 CGCDMO COc1cccc(C[N@H+]2CCC3(CCCC3)C2)c1O ZINC000093336637 260275643 /nfs/dbraw/zinc/27/56/43/260275643.db2.gz AXTCXCCYHQNVQW-UHFFFAOYSA-N 1 1 261.365 3.167 20 10 CGCDMO CC[C@H](C)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000154225953 261089353 /nfs/dbraw/zinc/08/93/53/261089353.db2.gz UQSWUMIXSSUBFW-HNNXBMFYSA-N 1 1 276.424 3.001 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)Cc1cc(C)[nH]n1)c1ccccc1O ZINC000156770880 261131235 /nfs/dbraw/zinc/13/12/35/261131235.db2.gz RRIJQTZFEOSKKT-XHDPSFHLSA-N 1 1 273.380 3.096 20 10 CGCDMO C[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(F)cc1O ZINC000185162394 262044146 /nfs/dbraw/zinc/04/41/46/262044146.db2.gz ZSMRMEPXKCLCTK-HWPZZCPQSA-N 1 1 293.313 3.055 20 10 CGCDMO Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185501337 262056797 /nfs/dbraw/zinc/05/67/97/262056797.db2.gz NPPUOBAUXDUJSN-UWVGGRQHSA-N 1 1 292.354 3.418 20 10 CGCDMO C[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1ccc(F)cc1O ZINC000185644098 262063533 /nfs/dbraw/zinc/06/35/33/262063533.db2.gz QXHACFHGKZDFBT-KNXALSJPSA-N 1 1 281.371 3.123 20 10 CGCDMO CC[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccccc1O ZINC000186118519 262079889 /nfs/dbraw/zinc/07/98/89/262079889.db2.gz GXAHGBLPNKQFHA-KRWDZBQOSA-N 1 1 288.435 3.307 20 10 CGCDMO Cc1cccc(NCc2ccc(N(C)C)c(F)c2)[nH+]1 ZINC000131214632 264366888 /nfs/dbraw/zinc/36/68/88/264366888.db2.gz LDEXLBAKVLVVOY-UHFFFAOYSA-N 1 1 259.328 3.207 20 10 CGCDMO C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000368141839 267148833 /nfs/dbraw/zinc/14/88/33/267148833.db2.gz HAOAXZBIOIWCFP-BMIGLBTASA-N 1 1 273.307 3.143 20 10 CGCDMO COCC[C@H]1CCCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000368672558 267196267 /nfs/dbraw/zinc/19/62/67/267196267.db2.gz GBHCMIWYMNKZCU-CYBMUJFWSA-N 1 1 281.371 3.170 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000377195034 268055171 /nfs/dbraw/zinc/05/51/71/268055171.db2.gz CLAZEEINUWFCOZ-MNOVXSKESA-N 1 1 299.773 3.043 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000377195034 268055175 /nfs/dbraw/zinc/05/51/75/268055175.db2.gz CLAZEEINUWFCOZ-MNOVXSKESA-N 1 1 299.773 3.043 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](Cc3ccncc3)C2)cc1C ZINC000368060419 327233648 /nfs/dbraw/zinc/23/36/48/327233648.db2.gz MLORYQIGWYSSIW-QGZVFWFLSA-N 1 1 296.414 3.469 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1ccc(F)cc1O ZINC000528001682 330300128 /nfs/dbraw/zinc/30/01/28/330300128.db2.gz MQMJRSFNTDELAS-SWLSCSKDSA-N 1 1 292.398 3.199 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c1O ZINC000291562955 521336313 /nfs/dbraw/zinc/33/63/13/521336313.db2.gz NFUPCBSZVOSIJF-NSHDSACASA-N 1 1 285.334 3.268 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H]1CCSC1 ZINC000278523585 521690026 /nfs/dbraw/zinc/69/00/26/521690026.db2.gz YNBAHLFBXKXXMX-CYBMUJFWSA-N 1 1 265.422 3.357 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)[C@H](C)c1nc(CC)no1 ZINC000076074342 521691094 /nfs/dbraw/zinc/69/10/94/521691094.db2.gz XRUHUHYOOQCRST-GFCCVEGCSA-N 1 1 289.379 3.311 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)c1nc(CC)no1 ZINC000076074342 521691097 /nfs/dbraw/zinc/69/10/97/521691097.db2.gz XRUHUHYOOQCRST-GFCCVEGCSA-N 1 1 289.379 3.311 20 10 CGCDMO C[C@H]1C[N@H+](Cc2cccc(F)c2O)CCC1(F)F ZINC000291564674 524629790 /nfs/dbraw/zinc/62/97/90/524629790.db2.gz NIHQPZHRMSTTOP-VIFPVBQESA-N 1 1 259.271 3.008 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cccc(F)c2O)CCC1(F)F ZINC000291564674 524629796 /nfs/dbraw/zinc/62/97/96/524629796.db2.gz NIHQPZHRMSTTOP-VIFPVBQESA-N 1 1 259.271 3.008 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)C2CCC(F)(F)CC2)c1 ZINC000290229571 524733079 /nfs/dbraw/zinc/73/30/79/524733079.db2.gz SRHXHRDJQWQVHE-UHFFFAOYSA-N 1 1 285.334 3.411 20 10 CGCDMO CSC1(C[N@@H+](C)Cc2ccccc2O)CCC1 ZINC000290386188 525306597 /nfs/dbraw/zinc/30/65/97/525306597.db2.gz JAEGUIAOROVMMJ-UHFFFAOYSA-N 1 1 251.395 3.110 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](Cc2ccccn2)C2CC2)c1 ZINC000290320015 525338067 /nfs/dbraw/zinc/33/80/67/525338067.db2.gz CVRYZTGPWHZWHK-UHFFFAOYSA-N 1 1 268.360 3.260 20 10 CGCDMO C[C@H]([NH2+]CCc1cccs1)c1ccc(F)cc1O ZINC000062744898 525370269 /nfs/dbraw/zinc/37/02/69/525370269.db2.gz OHWFPAFTGVBNFA-JTQLQIEISA-N 1 1 265.353 3.486 20 10 CGCDMO C[C@@H]([NH2+]CCN(C)C1CCCC1)c1ccc(F)cc1O ZINC000071377131 525445104 /nfs/dbraw/zinc/44/51/04/525445104.db2.gz HPPJPYAXNSVCOC-GFCCVEGCSA-N 1 1 280.387 3.056 20 10 CGCDMO COc1cccc(C[N@H+]2CCC=C(c3ccco3)C2)c1O ZINC000289366940 525935051 /nfs/dbraw/zinc/93/50/51/525935051.db2.gz KXYKOKQZUMDMDI-UHFFFAOYSA-N 1 1 285.343 3.283 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278403510 526371974 /nfs/dbraw/zinc/37/19/74/526371974.db2.gz OQTCZWVZGHFCCU-JTQLQIEISA-N 1 1 259.271 3.167 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@H](CN(C)C)C2)cc1C(C)C ZINC000738225079 572366659 /nfs/dbraw/zinc/36/66/59/572366659.db2.gz QZAHCKZSDYOYBS-OAHLLOKOSA-N 1 1 290.451 3.208 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](CN(C)C)C2)cc1C(C)C ZINC000738225079 572366661 /nfs/dbraw/zinc/36/66/61/572366661.db2.gz QZAHCKZSDYOYBS-OAHLLOKOSA-N 1 1 290.451 3.208 20 10 CGCDMO COC(=O)CCC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000734852006 572688141 /nfs/dbraw/zinc/68/81/41/572688141.db2.gz IBTFTSQDXZCEMZ-UHFFFAOYSA-N 1 1 291.391 3.090 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCCOCC2)cc1C(C)C ZINC000748073341 572958951 /nfs/dbraw/zinc/95/89/51/572958951.db2.gz ZLKSEFRMKBVEOF-UHFFFAOYSA-N 1 1 263.381 3.046 20 10 CGCDMO COc1cc(C[N@@H+](C)CCc2cccs2)c(O)cc1C ZINC000160310024 617937811 /nfs/dbraw/zinc/93/78/11/617937811.db2.gz OFLNSFGLJOJYNP-UHFFFAOYSA-N 1 1 291.416 3.445 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@@H]2C(C)(C)C)c(O)c1OC ZINC000891914228 618382058 /nfs/dbraw/zinc/38/20/58/618382058.db2.gz VKMSBZBBXLOHBO-CQSZACIVSA-N 1 1 293.407 3.420 20 10 CGCDMO CC[C@@H]([NH2+]Cc1nnc(C)s1)c1ccc(N(C)C)cc1 ZINC000780745898 618680627 /nfs/dbraw/zinc/68/06/27/618680627.db2.gz SXEJSXHGHLGAQN-CQSZACIVSA-N 1 1 290.436 3.153 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000179401371 618781667 /nfs/dbraw/zinc/78/16/67/618781667.db2.gz YSAOEBCQEOFMNB-HNNXBMFYSA-N 1 1 276.424 3.144 20 10 CGCDMO Cc1ncsc1C[N@H+](C)Cc1cc(Cl)ccc1O ZINC000179427212 618784326 /nfs/dbraw/zinc/78/43/26/618784326.db2.gz RGQQTRWZCLEEDW-UHFFFAOYSA-N 1 1 282.796 3.443 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)C(C2CC2)C2CC2)c1 ZINC000092704112 619120538 /nfs/dbraw/zinc/12/05/38/619120538.db2.gz JILUPSJNYMIARI-UHFFFAOYSA-N 1 1 275.392 3.411 20 10 CGCDMO CC(C)[N@H+](Cc1cc2c(cc1O)OCO2)CC1CCC1 ZINC000195078991 619146442 /nfs/dbraw/zinc/14/64/42/619146442.db2.gz SNCKLPUGELORNI-UHFFFAOYSA-N 1 1 277.364 3.131 20 10 CGCDMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093498549 619200986 /nfs/dbraw/zinc/20/09/86/619200986.db2.gz DKZKOQGHIPRJDK-CVEARBPZSA-N 1 1 288.435 3.144 20 10 CGCDMO COC[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840953688 619257262 /nfs/dbraw/zinc/25/72/62/619257262.db2.gz WCONZXYGGXQTQS-INIZCTEOSA-N 1 1 290.451 3.310 20 10 CGCDMO CC(C)[N@H+](C)CCNCc1ccc(N2CCCCC2)cc1 ZINC000054111080 619264417 /nfs/dbraw/zinc/26/44/17/619264417.db2.gz LCEBUWLCHKTRBT-UHFFFAOYSA-N 1 1 289.467 3.107 20 10 CGCDMO CC(C)[N@@H+](C)CCNCc1ccc(N2CCCCC2)cc1 ZINC000054111080 619264419 /nfs/dbraw/zinc/26/44/19/619264419.db2.gz LCEBUWLCHKTRBT-UHFFFAOYSA-N 1 1 289.467 3.107 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1C ZINC000840957064 619270267 /nfs/dbraw/zinc/27/02/67/619270267.db2.gz IETOPSYYRYGCKG-QZTJIDSGSA-N 1 1 297.398 3.317 20 10 CGCDMO C[C@@H]1C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CS1 ZINC000840959828 619278344 /nfs/dbraw/zinc/27/83/44/619278344.db2.gz ZQRTZQJBBPWNQC-SFYZADRCSA-N 1 1 275.776 3.168 20 10 CGCDMO CC[N@@H+](Cc1cc2c(cc1O)OCO2)C1CCCCC1 ZINC000058590703 619278660 /nfs/dbraw/zinc/27/86/60/619278660.db2.gz QJLCSPWQPBMMCQ-UHFFFAOYSA-N 1 1 277.364 3.276 20 10 CGCDMO Cc1cccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C(C)C)c1O ZINC000840970357 619296175 /nfs/dbraw/zinc/29/61/75/619296175.db2.gz PYHYJZLMICGWDD-KRWDZBQOSA-N 1 1 289.419 3.338 20 10 CGCDMO CC[N@@H+](Cc1ocnc1C)Cc1ccc(N(C)C)cc1 ZINC000893870466 619325732 /nfs/dbraw/zinc/32/57/32/619325732.db2.gz AEFQSEOSSUDTFN-UHFFFAOYSA-N 1 1 273.380 3.071 20 10 CGCDMO C[C@H](c1ccncc1)[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000894448875 619541370 /nfs/dbraw/zinc/54/13/70/619541370.db2.gz KWYWPHYUQBDSHY-SNVBAGLBSA-N 1 1 278.302 3.258 20 10 CGCDMO C[C@H](c1ccncc1)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000894448875 619541376 /nfs/dbraw/zinc/54/13/76/619541376.db2.gz KWYWPHYUQBDSHY-SNVBAGLBSA-N 1 1 278.302 3.258 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+](C)CCC2CCOCC2)c1 ZINC000164486508 619704440 /nfs/dbraw/zinc/70/44/40/619704440.db2.gz DPKZKBYVIFPICI-UHFFFAOYSA-N 1 1 277.408 3.258 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@H](C)OC(C)(C)C2)cc1C ZINC000049176433 619707091 /nfs/dbraw/zinc/70/70/91/619707091.db2.gz VFVMFMKGFYZLDM-ZDUSSCGKSA-N 1 1 263.381 3.008 20 10 CGCDMO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185527900 625369988 /nfs/dbraw/zinc/36/99/88/625369988.db2.gz OPUXDWUKNPKDCE-MLGOLLRUSA-N 1 1 283.387 3.369 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH+]1CC(Cc2ccsc2)C1 ZINC000895375673 619817415 /nfs/dbraw/zinc/81/74/15/619817415.db2.gz CRYLHTUIUYUOCW-UHFFFAOYSA-N 1 1 295.354 3.406 20 10 CGCDMO Cc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)c(O)c1 ZINC000896423734 620006924 /nfs/dbraw/zinc/00/69/24/620006924.db2.gz KWDAPWQXDLCSGX-RHSMWYFYSA-N 1 1 287.334 3.262 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCS[C@H](C(F)(F)F)C2)c1 ZINC000896456008 620011823 /nfs/dbraw/zinc/01/18/23/620011823.db2.gz NGWPBIQUQIBVEL-LBPRGKRZSA-N 1 1 291.338 3.180 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000896585737 620031709 /nfs/dbraw/zinc/03/17/09/620031709.db2.gz WZFFEUVRCJJCMX-INIZCTEOSA-N 1 1 288.435 3.288 20 10 CGCDMO CCOc1cc(F)cc(C[NH2+]Cc2c(O)cccc2F)c1 ZINC000896644573 620040675 /nfs/dbraw/zinc/04/06/75/620040675.db2.gz XPHWLNBMUKZZFF-UHFFFAOYSA-N 1 1 293.313 3.359 20 10 CGCDMO CC(C)c1ncc(C[NH2+]Cc2c(O)cccc2F)s1 ZINC000896640620 620041786 /nfs/dbraw/zinc/04/17/86/620041786.db2.gz KCIDPTJLWMKGKO-UHFFFAOYSA-N 1 1 280.368 3.401 20 10 CGCDMO CN(C)c1ccc(C[NH2+]Cc2c(O)cccc2F)cc1F ZINC000896641095 620042154 /nfs/dbraw/zinc/04/21/54/620042154.db2.gz PFNGBSLQEBJYEL-UHFFFAOYSA-N 1 1 292.329 3.026 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000896791287 620063924 /nfs/dbraw/zinc/06/39/24/620063924.db2.gz ANOHDONQQLIEOL-IRXDYDNUSA-N 1 1 294.398 3.164 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](C3CCOCC3)C2)c1 ZINC000897269363 620175431 /nfs/dbraw/zinc/17/54/31/620175431.db2.gz CYWNDMLXPQCMRV-INIZCTEOSA-N 1 1 289.419 3.339 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000841745095 620351715 /nfs/dbraw/zinc/35/17/15/620351715.db2.gz NFKUIIUOAGJEEF-NWDGAFQWSA-N 1 1 294.826 3.181 20 10 CGCDMO CC(C)[C@H](O)C1(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)CC1 ZINC000841747476 620353369 /nfs/dbraw/zinc/35/33/69/620353369.db2.gz BMEXPNLQSDGFMK-NHYWBVRUSA-N 1 1 297.826 3.493 20 10 CGCDMO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2O)[nH]n1 ZINC000841752303 620376408 /nfs/dbraw/zinc/37/64/08/620376408.db2.gz SJUMCOKQHAKFRT-MWLCHTKSSA-N 1 1 293.798 3.359 20 10 CGCDMO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2O)n[nH]1 ZINC000841752303 620376414 /nfs/dbraw/zinc/37/64/14/620376414.db2.gz SJUMCOKQHAKFRT-MWLCHTKSSA-N 1 1 293.798 3.359 20 10 CGCDMO CC1(C)CCC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2O)O1 ZINC000898046089 620463390 /nfs/dbraw/zinc/46/33/90/620463390.db2.gz BYRSFEIBOKWCAN-LBPRGKRZSA-N 1 1 285.334 3.108 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](Cc3nccs3)C2)c1 ZINC000898071971 620477252 /nfs/dbraw/zinc/47/72/52/620477252.db2.gz WHCJFGBUWSFSBV-ZDUSSCGKSA-N 1 1 288.416 3.222 20 10 CGCDMO C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000898307830 620509653 /nfs/dbraw/zinc/50/96/53/620509653.db2.gz IALWYXGPCZJUON-UHFFFAOYSA-N 1 1 284.831 3.065 20 10 CGCDMO C[C@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)[C@@H](C)CO1 ZINC000249050529 620547729 /nfs/dbraw/zinc/54/77/29/620547729.db2.gz JCLSTNAQDAFEBJ-RYUDHWBXSA-N 1 1 293.407 3.005 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)[C@@H](C)CO1 ZINC000249050529 620547732 /nfs/dbraw/zinc/54/77/32/620547732.db2.gz JCLSTNAQDAFEBJ-RYUDHWBXSA-N 1 1 293.407 3.005 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H]3CSC[C@]3(C)C2)cc1C ZINC000898422390 620586281 /nfs/dbraw/zinc/58/62/81/620586281.db2.gz KJOOFGRFCFXSJA-ZBFHGGJFSA-N 1 1 277.433 3.194 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2csc(N)n2)cc1 ZINC000902488259 621355285 /nfs/dbraw/zinc/35/52/85/621355285.db2.gz GPLRCMZQJZAFTD-LLVKDONJSA-N 1 1 290.436 3.032 20 10 CGCDMO CN(C)c1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903060170 621548553 /nfs/dbraw/zinc/54/85/53/621548553.db2.gz SKOQLXXYPWZYMZ-QNBRMCRTSA-N 1 1 299.462 3.000 20 10 CGCDMO CN(C)c1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903060170 621548560 /nfs/dbraw/zinc/54/85/60/621548560.db2.gz SKOQLXXYPWZYMZ-QNBRMCRTSA-N 1 1 299.462 3.000 20 10 CGCDMO C[C@@H]([NH2+][C@H](c1ncccn1)C1CC1)c1cc(F)ccc1O ZINC000903327749 621701165 /nfs/dbraw/zinc/70/11/65/621701165.db2.gz YFOGBQACXZWURW-BMIGLBTASA-N 1 1 287.338 3.123 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCSC(C)(C)C2)c1O ZINC000164470779 622835623 /nfs/dbraw/zinc/83/56/23/622835623.db2.gz BPMCWCWOIKMPRB-UHFFFAOYSA-N 1 1 281.421 3.037 20 10 CGCDMO C[C@H]([NH2+]CC1(N(C)C)CCCCC1)c1ccc(F)cc1O ZINC000062744960 623265273 /nfs/dbraw/zinc/26/52/73/623265273.db2.gz NKHJLCFUBCNQBV-ZDUSSCGKSA-N 1 1 294.414 3.446 20 10 CGCDMO COc1ccc(C[NH2+]Cc2ncc(C)s2)cc1C ZINC000230687166 623265329 /nfs/dbraw/zinc/26/53/29/623265329.db2.gz IGLAYSLXOFVLEI-UHFFFAOYSA-N 1 1 262.378 3.058 20 10 CGCDMO [O-]c1ccc(Cl)cc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197824 623306471 /nfs/dbraw/zinc/30/64/71/623306471.db2.gz WQZZSWLJZGXCGF-HNNXBMFYSA-N 1 1 294.826 3.010 20 10 CGCDMO COc1cccc(C[N@H+]2Cc3ccccc3C[C@@H]2C)c1O ZINC000179910599 624696141 /nfs/dbraw/zinc/69/61/41/624696141.db2.gz MDASHZONKWHTQQ-ZDUSSCGKSA-N 1 1 283.371 3.348 20 10 CGCDMO Cc1ccc([C@@H](C)[NH2+]CC2(CN(C)C)CCCC2)c(O)c1 ZINC000183950067 625180309 /nfs/dbraw/zinc/18/03/09/625180309.db2.gz BYVRIBYOUNUBDR-OAHLLOKOSA-N 1 1 290.451 3.473 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000922692025 626032727 /nfs/dbraw/zinc/03/27/27/626032727.db2.gz INUKAGKPXRQIRJ-UKRRQHHQSA-N 1 1 299.773 3.234 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCCC2(CCC2)O1 ZINC000922813806 626048636 /nfs/dbraw/zinc/04/86/36/626048636.db2.gz USDWLUUOJHEEJH-ZDUSSCGKSA-N 1 1 297.345 3.252 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@H](C)OC(C)(C)C2)c1 ZINC000164206200 626085741 /nfs/dbraw/zinc/08/57/41/626085741.db2.gz MTEACKHEFIKHFH-ZDUSSCGKSA-N 1 1 263.381 3.008 20 10 CGCDMO C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc(Cl)ccc1O ZINC000840809654 626196452 /nfs/dbraw/zinc/19/64/52/626196452.db2.gz MODNLYFWRDPGRD-QWHCGFSZSA-N 1 1 296.842 3.428 20 10 CGCDMO C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cc(Cl)ccc1[O-] ZINC000840809654 626196455 /nfs/dbraw/zinc/19/64/55/626196455.db2.gz MODNLYFWRDPGRD-QWHCGFSZSA-N 1 1 296.842 3.428 20 10 CGCDMO C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc(Cl)ccc1[O-] ZINC000840809654 626196456 /nfs/dbraw/zinc/19/64/56/626196456.db2.gz MODNLYFWRDPGRD-QWHCGFSZSA-N 1 1 296.842 3.428 20 10 CGCDMO C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc(Cl)ccc1O ZINC000840809656 626196484 /nfs/dbraw/zinc/19/64/84/626196484.db2.gz MODNLYFWRDPGRD-STQMWFEESA-N 1 1 296.842 3.428 20 10 CGCDMO C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cc(Cl)ccc1[O-] ZINC000840809656 626196487 /nfs/dbraw/zinc/19/64/87/626196487.db2.gz MODNLYFWRDPGRD-STQMWFEESA-N 1 1 296.842 3.428 20 10 CGCDMO C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc(Cl)ccc1[O-] ZINC000840809656 626196490 /nfs/dbraw/zinc/19/64/90/626196490.db2.gz MODNLYFWRDPGRD-STQMWFEESA-N 1 1 296.842 3.428 20 10 CGCDMO Cc1cc(Cl)cc(C[NH+]2CC(C(F)F)C2)c1O ZINC000839140852 626323186 /nfs/dbraw/zinc/32/31/86/626323186.db2.gz JKOSBYHQABMBMW-UHFFFAOYSA-N 1 1 261.699 3.051 20 10 CGCDMO CO[C@H]1C[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C12CCC2 ZINC000839182618 626326325 /nfs/dbraw/zinc/32/63/25/626326325.db2.gz ODXFHBBILPESPN-OLZOCXBDSA-N 1 1 299.773 3.232 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)[C@H](C)C2(C)CC2)c1O ZINC000754738936 626585763 /nfs/dbraw/zinc/58/57/63/626585763.db2.gz IKKLYFRZXJKSLL-GFCCVEGCSA-N 1 1 263.381 3.330 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000754739617 626585966 /nfs/dbraw/zinc/58/59/66/626585966.db2.gz FZAKXMFXSPYRTK-HZPDHXFCSA-N 1 1 289.419 3.258 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1cccnc1 ZINC000756355652 626695342 /nfs/dbraw/zinc/69/53/42/626695342.db2.gz QFIJFJGBLIUYOA-ZJUUUORDSA-N 1 1 278.302 3.477 20 10 CGCDMO CC[N@H+](CCN[C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C(C)C ZINC000756527564 626712751 /nfs/dbraw/zinc/71/27/51/626712751.db2.gz ZVXLZVVTWBKQTC-TZMCWYRMSA-N 1 1 294.414 3.400 20 10 CGCDMO CC[N@@H+](CCN[C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C(C)C ZINC000756527564 626712752 /nfs/dbraw/zinc/71/27/52/626712752.db2.gz ZVXLZVVTWBKQTC-TZMCWYRMSA-N 1 1 294.414 3.400 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](C)C(C)C)c1 ZINC000756595087 626719424 /nfs/dbraw/zinc/71/94/24/626719424.db2.gz TUSYQDKQIRKBKU-RYUDHWBXSA-N 1 1 279.380 3.122 20 10 CGCDMO C[C@H](Cc1ccncc1)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000756637014 626722620 /nfs/dbraw/zinc/72/26/20/626722620.db2.gz YTOSZGXEBDRJNJ-NEPJUHHUSA-N 1 1 274.339 3.208 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C2CCC2)c1 ZINC000756769808 626730894 /nfs/dbraw/zinc/73/08/94/626730894.db2.gz NRUZVUWJIBRUNM-WDEREUQCSA-N 1 1 277.364 3.018 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)[C@H](C)c2ccncc2)c(O)c1 ZINC000757882388 626812051 /nfs/dbraw/zinc/81/20/51/626812051.db2.gz NXAIYLOURFJAHZ-CYBMUJFWSA-N 1 1 286.375 3.379 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)[C@H](C)c2cccnc2)c(O)c1 ZINC000757891191 626812808 /nfs/dbraw/zinc/81/28/08/626812808.db2.gz LXVMREVAUOJOOK-CYBMUJFWSA-N 1 1 286.375 3.379 20 10 CGCDMO CCOc1ccc(C[N@@H+](CC)CCC2CC2)c(O)c1 ZINC000761226832 627027149 /nfs/dbraw/zinc/02/71/49/627027149.db2.gz VTTZRLJOBFNREJ-UHFFFAOYSA-N 1 1 263.381 3.413 20 10 CGCDMO Cc1cccc2c1C[N@@H+](Cc1ccccc1O)CC2 ZINC000763507312 627161706 /nfs/dbraw/zinc/16/17/06/627161706.db2.gz SDDUOXMMCAMPTN-UHFFFAOYSA-N 1 1 253.345 3.259 20 10 CGCDMO CCCC[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000768290875 627472926 /nfs/dbraw/zinc/47/29/26/627472926.db2.gz JLHUCLYOBGGEQZ-UHFFFAOYSA-N 1 1 288.435 3.288 20 10 CGCDMO CCOc1ccc(C[N@@H+](CC)CC(C)C)c(O)c1 ZINC000768334330 627473364 /nfs/dbraw/zinc/47/33/64/627473364.db2.gz FLWFWZBYDNURSX-UHFFFAOYSA-N 1 1 251.370 3.269 20 10 CGCDMO COCC[C@@H]1CCCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000768541717 627485174 /nfs/dbraw/zinc/48/51/74/627485174.db2.gz QQPKBKQTAMABBO-INIZCTEOSA-N 1 1 290.451 3.391 20 10 CGCDMO CCOc1ccc(C[N@H+]2C[C@H](C)CC[C@H]2C)c(O)c1 ZINC000769445664 627552682 /nfs/dbraw/zinc/55/26/82/627552682.db2.gz JZBUSCIDFDXMFJ-CHWSQXEVSA-N 1 1 263.381 3.411 20 10 CGCDMO C[C@]1(O)CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000769469456 627556483 /nfs/dbraw/zinc/55/64/83/627556483.db2.gz YOSZGGVVVMQVTH-IBGZPJMESA-N 1 1 297.398 3.406 20 10 CGCDMO C[N@@H+](Cc1ccc[nH]1)Cc1cc(Cl)ccc1O ZINC000769541506 627564465 /nfs/dbraw/zinc/56/44/65/627564465.db2.gz CEINWBIKEUMUNR-UHFFFAOYSA-N 1 1 250.729 3.006 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCS[C@@H](C(C)C)C2)c(O)c1 ZINC000769548012 627565173 /nfs/dbraw/zinc/56/51/73/627565173.db2.gz GBKMMWMABCQGNK-MRXNPFEDSA-N 1 1 295.448 3.364 20 10 CGCDMO Cc1cc(C[NH2+][C@@H](C)c2cscn2)ccc1N(C)C ZINC000772999567 627839662 /nfs/dbraw/zinc/83/96/62/627839662.db2.gz MQCVRAMWRPRDHA-LBPRGKRZSA-N 1 1 275.421 3.368 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C[C@H](C)OC)C(C)C)cc1 ZINC000773750708 627910442 /nfs/dbraw/zinc/91/04/42/627910442.db2.gz DZSGVNZRLKDPOP-HNNXBMFYSA-N 1 1 278.440 3.388 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC000773821115 627916758 /nfs/dbraw/zinc/91/67/58/627916758.db2.gz SGBOIHVMGBIDJZ-MRXNPFEDSA-N 1 1 258.409 3.375 20 10 CGCDMO CCC[NH+](CCC)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775639501 628118487 /nfs/dbraw/zinc/11/84/87/628118487.db2.gz XRQJBQRKHFZQAB-UHFFFAOYSA-N 1 1 289.467 3.060 20 10 CGCDMO CCc1nc(C[N@H+](C)Cc2cccc(C)c2O)cs1 ZINC000775663718 628121971 /nfs/dbraw/zinc/12/19/71/628121971.db2.gz OARWFEKBCCMHTJ-UHFFFAOYSA-N 1 1 276.405 3.352 20 10 CGCDMO CCc1nc(C[N@@H+](C)Cc2cccc(C)c2O)cs1 ZINC000775663718 628121974 /nfs/dbraw/zinc/12/19/74/628121974.db2.gz OARWFEKBCCMHTJ-UHFFFAOYSA-N 1 1 276.405 3.352 20 10 CGCDMO CCC(C)(C)[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775689816 628126154 /nfs/dbraw/zinc/12/61/54/628126154.db2.gz LNJMHGJUPDKKJZ-UHFFFAOYSA-N 1 1 289.467 3.059 20 10 CGCDMO CCC(C)(C)[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775689816 628126158 /nfs/dbraw/zinc/12/61/58/628126158.db2.gz LNJMHGJUPDKKJZ-UHFFFAOYSA-N 1 1 289.467 3.059 20 10 CGCDMO COC(C)(C)C[N@@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000775737060 628130913 /nfs/dbraw/zinc/13/09/13/628130913.db2.gz ACJZIEHATBLRBU-UHFFFAOYSA-N 1 1 271.788 3.211 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000777440154 628271120 /nfs/dbraw/zinc/27/11/20/628271120.db2.gz VPSNNQVXDANZBS-OAHLLOKOSA-N 1 1 295.810 3.437 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000778984612 628381136 /nfs/dbraw/zinc/38/11/36/628381136.db2.gz HFSYEKYFVNHEAG-HNNXBMFYSA-N 1 1 257.308 3.478 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H]1F ZINC000779147676 628390266 /nfs/dbraw/zinc/39/02/66/628390266.db2.gz AYSOVHJRSGAGNU-RISCZKNCSA-N 1 1 268.351 3.072 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H]1F ZINC000779147676 628390269 /nfs/dbraw/zinc/39/02/69/628390269.db2.gz AYSOVHJRSGAGNU-RISCZKNCSA-N 1 1 268.351 3.072 20 10 CGCDMO C[N@H+](Cc1c(O)cccc1Cl)C[C@H]1CCCC[C@@H]1O ZINC000779152510 628390744 /nfs/dbraw/zinc/39/07/44/628390744.db2.gz BBSJGTUWQZBJJG-RISCZKNCSA-N 1 1 283.799 3.029 20 10 CGCDMO C[N@H+](Cc1c(O)cccc1Cl)C[C@H]1CCCC[C@H]1O ZINC000779152506 628391195 /nfs/dbraw/zinc/39/11/95/628391195.db2.gz BBSJGTUWQZBJJG-BXUZGUMPSA-N 1 1 283.799 3.029 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)c1O ZINC000781931617 628606031 /nfs/dbraw/zinc/60/60/31/628606031.db2.gz ZMLFEDLPTNEVFS-DYVFJYSZSA-N 1 1 275.392 3.413 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000781930410 628606142 /nfs/dbraw/zinc/60/61/42/628606142.db2.gz WSERUMOJDXJCHE-DYVFJYSZSA-N 1 1 275.392 3.413 20 10 CGCDMO CC[C@@]1(C)C[N@H+](Cc2cc(Cl)cc(C)c2O)CCO1 ZINC000785986746 628905981 /nfs/dbraw/zinc/90/59/81/628905981.db2.gz XFFRQZGCFAHDAQ-HNNXBMFYSA-N 1 1 283.799 3.355 20 10 CGCDMO CC[C@@]1(C)C[N@@H+](Cc2cc(Cl)cc(C)c2O)CCO1 ZINC000785986746 628905984 /nfs/dbraw/zinc/90/59/84/628905984.db2.gz XFFRQZGCFAHDAQ-HNNXBMFYSA-N 1 1 283.799 3.355 20 10 CGCDMO CO[C@H](CC[NH2+][C@@H](C)c1ccc(F)cc1O)C(F)(F)F ZINC000786953563 628972246 /nfs/dbraw/zinc/97/22/46/628972246.db2.gz MCUWIFPJKOLDEC-QPUJVOFHSA-N 1 1 295.276 3.149 20 10 CGCDMO COc1cc(O)c(C[N@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)cc1OC ZINC000789586381 629148057 /nfs/dbraw/zinc/14/80/57/629148057.db2.gz NGHSHBJAHVDBQA-UPJWGTAASA-N 1 1 293.407 3.276 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC=C(C)C)c1 ZINC000790683022 629225141 /nfs/dbraw/zinc/22/51/41/629225141.db2.gz LDIRDVHDFNANFE-GFCCVEGCSA-N 1 1 277.364 3.186 20 10 CGCDMO Cc1ncc(C[NH2+]Cc2c(O)ccc(Cl)c2F)s1 ZINC000790959499 629243557 /nfs/dbraw/zinc/24/35/57/629243557.db2.gz GUTCKLKODFIVEM-UHFFFAOYSA-N 1 1 286.759 3.239 20 10 CGCDMO C[C@H](Cc1ccncc1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790972143 629244828 /nfs/dbraw/zinc/24/48/28/629244828.db2.gz FAMZETYVYRWTSN-SNVBAGLBSA-N 1 1 294.757 3.301 20 10 CGCDMO Cc1c(F)nccc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000862210561 629322895 /nfs/dbraw/zinc/32/28/95/629322895.db2.gz PCNQXUZXLWEZRA-UHFFFAOYSA-N 1 1 287.382 3.227 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)[C@@H](C)C1 ZINC000862353847 629347472 /nfs/dbraw/zinc/34/74/72/629347472.db2.gz CAGIPUNHJGFAST-AAEUAGOBSA-N 1 1 298.377 3.030 20 10 CGCDMO CCC[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)OCC ZINC000862435265 629371639 /nfs/dbraw/zinc/37/16/39/629371639.db2.gz TWERWGVALORLNN-LLVKDONJSA-N 1 1 289.778 3.480 20 10 CGCDMO Oc1ccccc1C[N@H+](Cc1ccco1)CC1(F)CC1 ZINC000792761151 629379361 /nfs/dbraw/zinc/37/93/61/629379361.db2.gz JSSBQBXSLJJSDL-UHFFFAOYSA-N 1 1 275.323 3.490 20 10 CGCDMO Oc1ccccc1C[N@@H+](Cc1ccco1)CC1(F)CC1 ZINC000792761151 629379363 /nfs/dbraw/zinc/37/93/63/629379363.db2.gz JSSBQBXSLJJSDL-UHFFFAOYSA-N 1 1 275.323 3.490 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCCC(F)(F)CC2)c1 ZINC000862467309 629383105 /nfs/dbraw/zinc/38/31/05/629383105.db2.gz RUVZRUBHZGGPHU-UHFFFAOYSA-N 1 1 285.334 3.412 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000793620063 629491073 /nfs/dbraw/zinc/49/10/73/629491073.db2.gz KHLKBZMLZMFNFV-OAHLLOKOSA-N 1 1 281.783 3.048 20 10 CGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000794653267 629563775 /nfs/dbraw/zinc/56/37/75/629563775.db2.gz DIHYISYSUXCCAR-INIZCTEOSA-N 1 1 263.381 3.010 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c1 ZINC000794656276 629564279 /nfs/dbraw/zinc/56/42/79/629564279.db2.gz SRVHAIWJMGNHLF-BBRMVZONSA-N 1 1 275.392 3.008 20 10 CGCDMO CO[C@H]1CC[C@H](C)[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000864054542 629749639 /nfs/dbraw/zinc/74/96/39/629749639.db2.gz URRKRUCOJSNPLX-AAEUAGOBSA-N 1 1 298.377 3.030 20 10 CGCDMO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000796758237 629827286 /nfs/dbraw/zinc/82/72/86/629827286.db2.gz BTBAWGRSCYNBOC-HZUKXOBISA-N 1 1 283.387 3.369 20 10 CGCDMO CC[C@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(F)cc1O ZINC000796798311 629836378 /nfs/dbraw/zinc/83/63/78/629836378.db2.gz KZUJMOZYZQUGLD-UGWHAMFMSA-N 1 1 281.371 3.266 20 10 CGCDMO CN(Cc1ccccc1O)c1cc[nH+]cc1Br ZINC000798395829 630053649 /nfs/dbraw/zinc/05/36/49/630053649.db2.gz KMXLECYBWYHIDW-UHFFFAOYSA-N 1 1 293.164 3.186 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2C)c1 ZINC000798937064 630127688 /nfs/dbraw/zinc/12/76/88/630127688.db2.gz JPGPDNWGCYODHR-OBJOEFQTSA-N 1 1 291.391 3.266 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(C)c(C)cc2O)CCCO1 ZINC000798965262 630131693 /nfs/dbraw/zinc/13/16/93/630131693.db2.gz VJPXPWCQOWSTTM-OAHLLOKOSA-N 1 1 263.381 3.010 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](OC(F)F)C1)CCCC2 ZINC000802747301 630407588 /nfs/dbraw/zinc/40/75/88/630407588.db2.gz JEAYKOQKQPAHJC-AWEZNQCLSA-N 1 1 297.345 3.085 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC2(F)CCC2)c1 ZINC000806174519 630553125 /nfs/dbraw/zinc/55/31/25/630553125.db2.gz XWYNUXZKNQWKNI-NSHDSACASA-N 1 1 295.354 3.112 20 10 CGCDMO CS[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000840114365 630598910 /nfs/dbraw/zinc/59/89/10/630598910.db2.gz RFPVUAIZOHHRDT-OAHLLOKOSA-N 1 1 277.433 3.208 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(O)cc2)c(O)c1 ZINC000809753457 630800473 /nfs/dbraw/zinc/80/04/73/630800473.db2.gz KRCFFLXSKLLCAS-UHFFFAOYSA-N 1 1 287.359 3.129 20 10 CGCDMO CCCC[N@@H+](CCCO)Cc1c(O)cccc1Cl ZINC000809752613 630800822 /nfs/dbraw/zinc/80/08/22/630800822.db2.gz TXKFODZABYCILE-UHFFFAOYSA-N 1 1 271.788 3.030 20 10 CGCDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000809767100 630802293 /nfs/dbraw/zinc/80/22/93/630802293.db2.gz GFOCFPADGJVUMT-ZDUSSCGKSA-N 1 1 284.444 3.465 20 10 CGCDMO CCC[N@H+](CC)C[C@H](C)NCc1ccc(OCC)cc1O ZINC000810180592 630850667 /nfs/dbraw/zinc/85/06/67/630850667.db2.gz CRACJQVDHZZPCK-AWEZNQCLSA-N 1 1 294.439 3.001 20 10 CGCDMO CCC[N@@H+](CC)C[C@H](C)NCc1ccc(OCC)cc1O ZINC000810180592 630850671 /nfs/dbraw/zinc/85/06/71/630850671.db2.gz CRACJQVDHZZPCK-AWEZNQCLSA-N 1 1 294.439 3.001 20 10 CGCDMO CO[C@@](C)(C[NH2+]Cc1c(O)ccc(Cl)c1F)C1CC1 ZINC000812772724 631305953 /nfs/dbraw/zinc/30/59/53/631305953.db2.gz OGSCAHSKTFKGEY-AWEZNQCLSA-N 1 1 287.762 3.089 20 10 CGCDMO Cc1ccoc1C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000813882570 631476424 /nfs/dbraw/zinc/47/64/24/631476424.db2.gz CPERANXIGIWIQO-VIFPVBQESA-N 1 1 267.275 3.423 20 10 CGCDMO COCC(C)(C)[N@@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000814178583 631540502 /nfs/dbraw/zinc/54/05/02/631540502.db2.gz WAIBGAKEIJSPIF-UHFFFAOYSA-N 1 1 271.788 3.211 20 10 CGCDMO COCC[N@@H+](Cc1ccc(N(C)C)c(C)c1)C1CCCC1 ZINC000815022886 631704957 /nfs/dbraw/zinc/70/49/57/631704957.db2.gz CANJVPBYAKJITI-UHFFFAOYSA-N 1 1 290.451 3.452 20 10 CGCDMO Cc1cc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)ccc1N(C)C ZINC000815087746 631713507 /nfs/dbraw/zinc/71/35/07/631713507.db2.gz NMSPNIAGZKVPMR-WMZOPIPTSA-N 1 1 290.451 3.044 20 10 CGCDMO Cc1cc(C[N@H+]([C@H](C)CO)C2CCCC2)ccc1N(C)C ZINC000815098200 631716860 /nfs/dbraw/zinc/71/68/60/631716860.db2.gz CRFYNGFAHYAODM-OAHLLOKOSA-N 1 1 290.451 3.186 20 10 CGCDMO CCC[N@@H+](Cc1cnn(C)c1Cl)Cc1ccccc1O ZINC000816499253 631994503 /nfs/dbraw/zinc/99/45/03/631994503.db2.gz JTOJTYQZXBQEIV-UHFFFAOYSA-N 1 1 293.798 3.191 20 10 CGCDMO CC1(C)CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816509022 631998301 /nfs/dbraw/zinc/99/83/01/631998301.db2.gz BNMHMTAQFXXHHD-UHFFFAOYSA-N 1 1 257.736 3.417 20 10 CGCDMO CC1(C)CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816509022 631998306 /nfs/dbraw/zinc/99/83/06/631998306.db2.gz BNMHMTAQFXXHHD-UHFFFAOYSA-N 1 1 257.736 3.417 20 10 CGCDMO COC(C)(C)C[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816520214 632002010 /nfs/dbraw/zinc/00/20/10/632002010.db2.gz IPCJKNIRSSRFNZ-UHFFFAOYSA-N 1 1 275.751 3.042 20 10 CGCDMO COC(C)(C)C[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816520214 632002012 /nfs/dbraw/zinc/00/20/12/632002012.db2.gz IPCJKNIRSSRFNZ-UHFFFAOYSA-N 1 1 275.751 3.042 20 10 CGCDMO Oc1ccc(F)cc1C[NH2+]Cc1c(F)cc(F)cc1F ZINC000816650954 632037579 /nfs/dbraw/zinc/03/75/79/632037579.db2.gz KVXNJFBTIDYHFK-UHFFFAOYSA-N 1 1 285.240 3.238 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000816666666 632040481 /nfs/dbraw/zinc/04/04/81/632040481.db2.gz SROANKNXTXHFIH-HZPDHXFCSA-N 1 1 293.794 3.189 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000816666666 632040487 /nfs/dbraw/zinc/04/04/87/632040487.db2.gz SROANKNXTXHFIH-HZPDHXFCSA-N 1 1 293.794 3.189 20 10 CGCDMO C[C@@H]([NH2+]CCCC1(O)CCC1)c1ccc(Cl)cc1O ZINC000817585829 632191395 /nfs/dbraw/zinc/19/13/95/632191395.db2.gz IVEATJXIVXLPCU-LLVKDONJSA-N 1 1 283.799 3.391 20 10 CGCDMO Cc1ccccc1[C@H](C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938290 632238942 /nfs/dbraw/zinc/23/89/42/632238942.db2.gz IIMNJBXDQSZODJ-HNAYVOBHSA-N 1 1 297.446 3.412 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817946082 632243763 /nfs/dbraw/zinc/24/37/63/632243763.db2.gz RCXDCGOETBECCR-BXUZGUMPSA-N 1 1 282.815 3.086 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817952097 632247843 /nfs/dbraw/zinc/24/78/43/632247843.db2.gz NEIVBXQZJAYNHB-IUCAKERBSA-N 1 1 289.206 3.102 20 10 CGCDMO CC[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000817968450 632261999 /nfs/dbraw/zinc/26/19/99/632261999.db2.gz UPAWXOFITFIBQY-CQSZACIVSA-N 1 1 280.799 3.006 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000817969195 632262817 /nfs/dbraw/zinc/26/28/17/632262817.db2.gz RNNAAADUOZYDRU-JSGCOSHPSA-N 1 1 282.815 3.228 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000817971795 632264000 /nfs/dbraw/zinc/26/40/00/632264000.db2.gz QDIKJXCJENJBIL-JKOKRWQUSA-N 1 1 282.815 3.227 20 10 CGCDMO C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc2ccccc2c1[O-] ZINC000817983733 632272815 /nfs/dbraw/zinc/27/28/15/632272815.db2.gz JPDCZUJJFUNHIS-ZDUSSCGKSA-N 1 1 284.403 3.338 20 10 CGCDMO CN1C[C@@H]2CCC[N@@H+](Cc3ccc4ccccc4c3O)[C@@H]2C1 ZINC000822521130 632959016 /nfs/dbraw/zinc/95/90/16/632959016.db2.gz XAKFIVVCNWCTIG-MAUKXSAKSA-N 1 1 296.414 3.071 20 10 CGCDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000120890851 632997520 /nfs/dbraw/zinc/99/75/20/632997520.db2.gz WRELWQNSBZUSGF-QGZVFWFLSA-N 1 1 289.419 3.128 20 10 CGCDMO Cc1cc(O)c(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000824855940 633301204 /nfs/dbraw/zinc/30/12/04/633301204.db2.gz SGMXKTMFMUAWAS-KGLIPLIRSA-N 1 1 294.826 3.023 20 10 CGCDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000825091410 633327547 /nfs/dbraw/zinc/32/75/47/633327547.db2.gz ZKJXLCZSIOGOTP-ZDUSSCGKSA-N 1 1 283.799 3.029 20 10 CGCDMO Cc1cc([O-])c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000825122067 633331000 /nfs/dbraw/zinc/33/10/00/633331000.db2.gz WKZDEKJXNSVPCH-UONOGXRCSA-N 1 1 294.826 3.070 20 10 CGCDMO Cc1cc([O-])c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000825122067 633331001 /nfs/dbraw/zinc/33/10/01/633331001.db2.gz WKZDEKJXNSVPCH-UONOGXRCSA-N 1 1 294.826 3.070 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000825215273 633336372 /nfs/dbraw/zinc/33/63/72/633336372.db2.gz KRNYQXILWWMEDA-HNNXBMFYSA-N 1 1 281.396 3.250 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000825215273 633336375 /nfs/dbraw/zinc/33/63/75/633336375.db2.gz KRNYQXILWWMEDA-HNNXBMFYSA-N 1 1 281.396 3.250 20 10 CGCDMO C[C@H]1CCC[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2O)O1 ZINC000827252121 633476018 /nfs/dbraw/zinc/47/60/18/633476018.db2.gz XDSREUHMVYGNAD-ONGXEEELSA-N 1 1 287.762 3.232 20 10 CGCDMO Cc1cc(C[N@@H+]2CCO[C@@H](C)C2)ccc1N1CCCCC1 ZINC000827288502 633478488 /nfs/dbraw/zinc/47/84/88/633478488.db2.gz YDIIOYPAPBZLMS-INIZCTEOSA-N 1 1 288.435 3.206 20 10 CGCDMO Cc1cc(C[N@H+]2CCO[C@@H](C)C2)ccc1N1CCCCC1 ZINC000827288502 633478492 /nfs/dbraw/zinc/47/84/92/633478492.db2.gz YDIIOYPAPBZLMS-INIZCTEOSA-N 1 1 288.435 3.206 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2[C@H](C)CC[C@@H]2C)c1O ZINC000123407795 633672173 /nfs/dbraw/zinc/67/21/73/633672173.db2.gz HUTDJKOSUKUDFZ-AOOOYVTPSA-N 1 1 265.328 3.107 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H]3CSC[C@H]3C1)CCC2 ZINC000872722111 634196044 /nfs/dbraw/zinc/19/60/44/634196044.db2.gz NRRWUJPOLHFDRJ-GOEBONIOSA-N 1 1 289.444 3.066 20 10 CGCDMO CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CCc2cccc(O)c21 ZINC000834807928 634245614 /nfs/dbraw/zinc/24/56/14/634245614.db2.gz UXPKNZVWGMAALX-UKRRQHHQSA-N 1 1 276.424 3.090 20 10 CGCDMO CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CCc2cccc(O)c21 ZINC000834807928 634245618 /nfs/dbraw/zinc/24/56/18/634245618.db2.gz UXPKNZVWGMAALX-UKRRQHHQSA-N 1 1 276.424 3.090 20 10 CGCDMO CCCOc1ccc(C[NH2+]Cc2ccn(CC)n2)cc1C ZINC000873130469 634252764 /nfs/dbraw/zinc/25/27/64/634252764.db2.gz DQAWJAOYHYDJOP-UHFFFAOYSA-N 1 1 287.407 3.290 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873156456 634264507 /nfs/dbraw/zinc/26/45/07/634264507.db2.gz KDXRGXWJPBMMMD-PKFCDNJMSA-N 1 1 299.773 3.232 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)[C@H](C)O ZINC000834889022 634268497 /nfs/dbraw/zinc/26/84/97/634268497.db2.gz TXYDDCICLFQABZ-PTRXPTGYSA-N 1 1 291.313 3.221 20 10 CGCDMO CC1(C)CCc2onc(C[NH2+]Cc3ccccc3O)c2C1 ZINC000873174993 634271060 /nfs/dbraw/zinc/27/10/60/634271060.db2.gz CUUQAYYBGLDITQ-UHFFFAOYSA-N 1 1 286.375 3.185 20 10 CGCDMO CCn1cc([C@@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2O)cn1 ZINC000834904070 634280957 /nfs/dbraw/zinc/28/09/57/634280957.db2.gz MQMVXYJZJMAMDX-NXEZZACHSA-N 1 1 295.333 3.299 20 10 CGCDMO C[C@H](C1CC1)[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835025789 634323891 /nfs/dbraw/zinc/32/38/91/634323891.db2.gz NJHFBHGMMJCJPI-VBROQKIQSA-N 1 1 258.409 3.496 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)C[C@H]2CCCOC2)cc1 ZINC000835029683 634325465 /nfs/dbraw/zinc/32/54/65/634325465.db2.gz YUGKYUSQLJCBLW-UKINESCASA-N 1 1 288.435 3.124 20 10 CGCDMO CCc1nc(C[N@H+](C)Cc2ccc(C)cc2O)cs1 ZINC000876641663 634873391 /nfs/dbraw/zinc/87/33/91/634873391.db2.gz MCJINIOEEUJGBE-UHFFFAOYSA-N 1 1 276.405 3.352 20 10 CGCDMO CCc1nc(C[N@@H+](C)Cc2ccc(C)cc2O)cs1 ZINC000876641663 634873395 /nfs/dbraw/zinc/87/33/95/634873395.db2.gz MCJINIOEEUJGBE-UHFFFAOYSA-N 1 1 276.405 3.352 20 10 CGCDMO CCC[N@@H+](Cc1ccns1)Cc1ccccc1O ZINC000876655283 634875228 /nfs/dbraw/zinc/87/52/28/634875228.db2.gz YPAMMMIYTCPUID-UHFFFAOYSA-N 1 1 262.378 3.261 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@H](c3ccco3)C2)c(O)c1 ZINC000876723962 634886433 /nfs/dbraw/zinc/88/64/33/634886433.db2.gz JQULGGPPNXZAIH-AWEZNQCLSA-N 1 1 257.333 3.283 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)c(O)c1 ZINC000876750131 634892169 /nfs/dbraw/zinc/89/21/69/634892169.db2.gz OGQQYQNWQKHIEW-NWDGAFQWSA-N 1 1 251.395 3.026 20 10 CGCDMO CCc1cnc(C[N@H+](C)Cc2c(C)cccc2O)s1 ZINC000876779357 634898125 /nfs/dbraw/zinc/89/81/25/634898125.db2.gz BUWJEHOPCQEJTD-UHFFFAOYSA-N 1 1 276.405 3.352 20 10 CGCDMO CCc1cnc(C[N@@H+](C)Cc2c(C)cccc2O)s1 ZINC000876779357 634898128 /nfs/dbraw/zinc/89/81/28/634898128.db2.gz BUWJEHOPCQEJTD-UHFFFAOYSA-N 1 1 276.405 3.352 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[NH2+]Cc1nc2ccccc2o1 ZINC000877031669 634955648 /nfs/dbraw/zinc/95/56/48/634955648.db2.gz SVOLXYNSBZBTLQ-UHFFFAOYSA-N 1 1 295.386 3.492 20 10 CGCDMO Cc1ccc(C[N@H+](C)[C@H](C)c2ccccn2)c(O)c1 ZINC000877170585 635006149 /nfs/dbraw/zinc/00/61/49/635006149.db2.gz QQIRBNNPHHOGPD-CYBMUJFWSA-N 1 1 256.349 3.289 20 10 CGCDMO CCn1ccc(C[N@@H+](C)Cc2ccc(C)cc2O)c1 ZINC000877472067 635050353 /nfs/dbraw/zinc/05/03/53/635050353.db2.gz IXFUUKQVUJDQRR-UHFFFAOYSA-N 1 1 258.365 3.154 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)c1ccn(C)n1)c1ccc(F)cc1O ZINC000840816674 635057523 /nfs/dbraw/zinc/05/75/23/635057523.db2.gz XHPHARVPFZFABH-MFKMUULPSA-N 1 1 277.343 3.067 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H](C)CCOC)c1ccc(F)cc1O ZINC000840836228 635060826 /nfs/dbraw/zinc/06/08/26/635060826.db2.gz WCFGSVISOKFNNA-FZMZJTMJSA-N 1 1 269.360 3.245 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)c(O)c1 ZINC000877497444 635061479 /nfs/dbraw/zinc/06/14/79/635061479.db2.gz QDOCSVFMKPMOOA-MRXNPFEDSA-N 1 1 285.391 3.161 20 10 CGCDMO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1csnn1 ZINC000840886186 635074218 /nfs/dbraw/zinc/07/42/18/635074218.db2.gz QYBGWSXPLUKTMB-MRTMQBJTSA-N 1 1 293.367 3.282 20 10 CGCDMO Cc1cc(N(C)C)ccc1CN[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000840935289 635085069 /nfs/dbraw/zinc/08/50/69/635085069.db2.gz KRUZGBBXQMGRFJ-IRXDYDNUSA-N 1 1 289.467 3.023 20 10 CGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840940796 635088675 /nfs/dbraw/zinc/08/86/75/635088675.db2.gz GAVNBAYQHBCIPI-SFHVURJKSA-N 1 1 290.451 3.452 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000840959612 635094339 /nfs/dbraw/zinc/09/43/39/635094339.db2.gz YYKSOMCEGIZBEH-IRXDYDNUSA-N 1 1 283.371 3.009 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000877575487 635099060 /nfs/dbraw/zinc/09/90/60/635099060.db2.gz WHEBJKXTFSAHKF-INIZCTEOSA-N 1 1 277.433 3.420 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@]3(CCSC3)C2)c(O)c1 ZINC000877575191 635099107 /nfs/dbraw/zinc/09/91/07/635099107.db2.gz JZOIFHPOXUDROO-INIZCTEOSA-N 1 1 277.433 3.420 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000877604956 635108429 /nfs/dbraw/zinc/10/84/29/635108429.db2.gz SNWZNXTYUANEHG-OAHLLOKOSA-N 1 1 268.360 3.085 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c(O)c1 ZINC000877633832 635123792 /nfs/dbraw/zinc/12/37/92/635123792.db2.gz RZBXVJUYQNJGAH-WMZOPIPTSA-N 1 1 289.419 3.482 20 10 CGCDMO C[C@H]([NH2+]Cc1coc(C2CC2)n1)c1ccccc1O ZINC000877757195 635185675 /nfs/dbraw/zinc/18/56/75/635185675.db2.gz NDELGKYLTXNRIN-JTQLQIEISA-N 1 1 258.321 3.108 20 10 CGCDMO C[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(Cl)cc1O ZINC000841743993 635221888 /nfs/dbraw/zinc/22/18/88/635221888.db2.gz DVAKCUPCJQZEGZ-IINYFYTJSA-N 1 1 282.815 3.036 20 10 CGCDMO C[C@H]([NH2+]CC1(CCO)CCC1)c1ccc(Cl)cc1O ZINC000841751938 635225385 /nfs/dbraw/zinc/22/53/85/635225385.db2.gz OWDHSDRZPDCXMA-NSHDSACASA-N 1 1 283.799 3.249 20 10 CGCDMO COCC[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841754965 635229026 /nfs/dbraw/zinc/22/90/26/635229026.db2.gz DYKIXSCOIIDVEP-MNOVXSKESA-N 1 1 271.788 3.369 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(Cl)nc2)cc1 ZINC000126950798 635393672 /nfs/dbraw/zinc/39/36/72/635393672.db2.gz DVZWCMLEXKNRCX-UHFFFAOYSA-N 1 1 289.810 3.433 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)CCC(C)(C)C)cc1OC ZINC000842630663 635423854 /nfs/dbraw/zinc/42/38/54/635423854.db2.gz HFNABHWVUDHQQK-UHFFFAOYSA-N 1 1 281.396 3.277 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cccc(C(F)(F)F)c1O ZINC000842926732 635513609 /nfs/dbraw/zinc/51/36/09/635513609.db2.gz BFSGBHUFTFUJNC-BBBLOLIVSA-N 1 1 289.297 3.239 20 10 CGCDMO C[C@@]1(C[N@H+](Cc2ccccc2[O-])C2CCCC2)CC[NH2+]C1 ZINC000843064874 635554991 /nfs/dbraw/zinc/55/49/91/635554991.db2.gz ZPTPJXJNXROANO-GOSISDBHSA-N 1 1 288.435 3.136 20 10 CGCDMO C[C@@]1(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CC[NH2+]C1 ZINC000843064874 635554994 /nfs/dbraw/zinc/55/49/94/635554994.db2.gz ZPTPJXJNXROANO-GOSISDBHSA-N 1 1 288.435 3.136 20 10 CGCDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000844717656 635956870 /nfs/dbraw/zinc/95/68/70/635956870.db2.gz AJDRAHFDSBHLMA-QGZVFWFLSA-N 1 1 289.419 3.270 20 10 CGCDMO C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc2ccccc2c1[O-] ZINC000844921516 635984189 /nfs/dbraw/zinc/98/41/89/635984189.db2.gz KMUYXUOQFLJPCE-CYBMUJFWSA-N 1 1 284.403 3.325 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](CC)OC[C@@H]2CC)c1 ZINC000846028011 636132334 /nfs/dbraw/zinc/13/23/34/636132334.db2.gz UCMZECVAGSYDIW-GJZGRUSLSA-N 1 1 293.407 3.180 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCCNc1ccccc1 ZINC000883011742 636505235 /nfs/dbraw/zinc/50/52/35/636505235.db2.gz HVPJUPOIIBTGOT-UHFFFAOYSA-N 1 1 292.329 3.262 20 10 CGCDMO CCc1cnccc1[C@H](C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883082828 636534434 /nfs/dbraw/zinc/53/44/34/636534434.db2.gz SCRTYPHDTWCIDU-JTQLQIEISA-N 1 1 292.329 3.479 20 10 CGCDMO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000883140451 636553952 /nfs/dbraw/zinc/55/39/52/636553952.db2.gz UEZLWULDBHKABV-ZIAGYGMSSA-N 1 1 285.334 3.108 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1F ZINC000883146528 636554968 /nfs/dbraw/zinc/55/49/68/636554968.db2.gz PIPVMCUYOBEPLI-ZYHUDNBSSA-N 1 1 259.271 3.041 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@H](C1CC1)[C@H]1CCCCO1 ZINC000883161049 636559232 /nfs/dbraw/zinc/55/92/32/636559232.db2.gz IREGCVHFNRXUTQ-HUUCEWRRSA-N 1 1 297.345 3.108 20 10 CGCDMO Oc1ccc(Cl)cc1C[NH2+]C1(c2ncccn2)CCC1 ZINC000883307111 636659763 /nfs/dbraw/zinc/65/97/63/636659763.db2.gz MHSIGBWWUZWIIQ-UHFFFAOYSA-N 1 1 289.766 3.005 20 10 CGCDMO CCc1cccc(C[N@H+]2CCS[C@@H](CC)C2)c1O ZINC000848887431 636674950 /nfs/dbraw/zinc/67/49/50/636674950.db2.gz WIEOVFDWOKWKFR-AWEZNQCLSA-N 1 1 265.422 3.282 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@]2(C)CCCO)c1O ZINC000848912163 636687681 /nfs/dbraw/zinc/68/76/81/636687681.db2.gz NKGVBHZTIWLFRK-KRWDZBQOSA-N 1 1 277.408 3.082 20 10 CGCDMO CCc1cccc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c1O ZINC000848914794 636688572 /nfs/dbraw/zinc/68/85/72/636688572.db2.gz SPYHCOVETABACB-QZTJIDSGSA-N 1 1 287.403 3.098 20 10 CGCDMO CCc1cccc(C[N@H+]2C[C@@H](C)OCC23CCC3)c1O ZINC000848919919 636690865 /nfs/dbraw/zinc/69/08/65/636690865.db2.gz VSPKXVJZOWOJAX-CYBMUJFWSA-N 1 1 275.392 3.098 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1O ZINC000848919219 636691092 /nfs/dbraw/zinc/69/10/92/636691092.db2.gz IBJRURLGYXWNEZ-IAGOWNOFSA-N 1 1 289.419 3.346 20 10 CGCDMO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC(C)(C)O1 ZINC000133102566 636872782 /nfs/dbraw/zinc/87/27/82/636872782.db2.gz VHVHKZBAHPSMGR-JTQLQIEISA-N 1 1 269.772 3.045 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CC(C)(C)O1 ZINC000133102566 636872783 /nfs/dbraw/zinc/87/27/83/636872783.db2.gz VHVHKZBAHPSMGR-JTQLQIEISA-N 1 1 269.772 3.045 20 10 CGCDMO C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cc(F)cc(F)c1O ZINC000850536538 637112676 /nfs/dbraw/zinc/11/26/76/637112676.db2.gz KZMVBLBPNFZSOP-JMCQJSRRSA-N 1 1 277.261 3.366 20 10 CGCDMO C[N@@H+](Cc1nc2ccccc2o1)Cc1ccccc1O ZINC000109770092 637267637 /nfs/dbraw/zinc/26/76/37/637267637.db2.gz KUSZOSRSTLNOFO-UHFFFAOYSA-N 1 1 268.316 3.165 20 10 CGCDMO CCCC[N@@H+](Cc1ccccc1O)C[C@@](C)(O)C(F)F ZINC000886192403 637453367 /nfs/dbraw/zinc/45/33/67/637453367.db2.gz UYRXWDFNJLZRSI-OAHLLOKOSA-N 1 1 287.350 3.010 20 10 CGCDMO Oc1ccccc1C[N@@H+](CCOC(F)F)C1CCCC1 ZINC000851770268 637496335 /nfs/dbraw/zinc/49/63/35/637496335.db2.gz NYTORCJOCAFYDO-UHFFFAOYSA-N 1 1 285.334 3.376 20 10 CGCDMO C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1c(O)cccc1F ZINC000886508565 637545832 /nfs/dbraw/zinc/54/58/32/637545832.db2.gz FMPCUPIADIHCIF-SNVBAGLBSA-N 1 1 289.306 3.111 20 10 CGCDMO C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886516803 637550025 /nfs/dbraw/zinc/55/00/25/637550025.db2.gz YUABHCHQDLUCDE-IUCAKERBSA-N 1 1 295.276 3.149 20 10 CGCDMO CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886534852 637560067 /nfs/dbraw/zinc/56/00/67/637560067.db2.gz QBYQIOYSJHCVFZ-QWHCGFSZSA-N 1 1 283.387 3.227 20 10 CGCDMO CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2c(O)cccc2F)CCO1 ZINC000886542559 637567159 /nfs/dbraw/zinc/56/71/59/637567159.db2.gz BQYPAMGVMPUGLC-SLEUVZQESA-N 1 1 281.371 3.386 20 10 CGCDMO C[C@@H]([NH2+]CCc1ccc(Cl)nc1)c1c(O)cccc1F ZINC000886541508 637567171 /nfs/dbraw/zinc/56/71/71/637567171.db2.gz XHHYKKNZEYPTDH-SNVBAGLBSA-N 1 1 294.757 3.473 20 10 CGCDMO C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1c(O)cccc1F ZINC000886610462 637602855 /nfs/dbraw/zinc/60/28/55/637602855.db2.gz BRLHRVAOQOBUMS-PRXAMGSTSA-N 1 1 289.350 3.304 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1c(O)cccc1F ZINC000886631665 637619401 /nfs/dbraw/zinc/61/94/01/637619401.db2.gz SYYZLXRFJKWKMC-DIFFPNOSSA-N 1 1 293.382 3.387 20 10 CGCDMO C[C@H](Cc1ccccn1)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886635168 637621957 /nfs/dbraw/zinc/62/19/57/637621957.db2.gz XSJLMPCHJWTXLO-VXGBXAGGSA-N 1 1 274.339 3.208 20 10 CGCDMO CCSC1(C[NH2+][C@@H](C)c2c(O)cccc2F)CC1 ZINC000886637987 637623496 /nfs/dbraw/zinc/62/34/96/637623496.db2.gz JUPYZSPZEGUMCB-JTQLQIEISA-N 1 1 269.385 3.468 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1c(O)cccc1F ZINC000886703212 637665929 /nfs/dbraw/zinc/66/59/29/637665929.db2.gz PEGFKOYUGCZNBL-VXGBXAGGSA-N 1 1 279.355 3.141 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](CCF)C2)c1O ZINC000852533141 637674924 /nfs/dbraw/zinc/67/49/24/637674924.db2.gz PIAHODBBPVDMNH-LBPRGKRZSA-N 1 1 297.345 3.306 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)CCn2cccn2)cc1C(C)C ZINC000111169479 637783427 /nfs/dbraw/zinc/78/34/27/637783427.db2.gz KYGJFOZWRGSBGE-UHFFFAOYSA-N 1 1 287.407 3.153 20 10 CGCDMO CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000854230296 638029083 /nfs/dbraw/zinc/02/90/83/638029083.db2.gz MBLCLZZXMUXTGX-GXFFZTMASA-N 1 1 270.804 3.070 20 10 CGCDMO CCN(C)c1ccc(C[NH2+][C@H](c2ncccn2)C2CC2)cc1 ZINC000932355761 639320448 /nfs/dbraw/zinc/32/04/48/639320448.db2.gz ZKRXOQHLTIIHPL-KRWDZBQOSA-N 1 1 296.418 3.174 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)cc1OC ZINC000159781050 640069111 /nfs/dbraw/zinc/06/91/11/640069111.db2.gz GUQNCZFLGHLIDB-TZMCWYRMSA-N 1 1 293.407 3.420 20 10 CGCDMO CS[C@@H](C)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000191466814 640312920 /nfs/dbraw/zinc/31/29/20/640312920.db2.gz BFIFMQFBAFTAMY-ZETCQYMHSA-N 1 1 263.765 3.026 20 10 CGCDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000193470522 640462349 /nfs/dbraw/zinc/46/23/49/640462349.db2.gz UZCPOBIPQBUPIV-CQSZACIVSA-N 1 1 266.454 3.326 20 10 CGCDMO C[N@@H+](CCC1CC1)Cc1cccc(Br)c1[O-] ZINC000092067162 640730697 /nfs/dbraw/zinc/73/06/97/640730697.db2.gz JIIZTEAMNWFZRA-UHFFFAOYSA-N 1 1 284.197 3.387 20 10 CGCDMO C[NH+](C)CCC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000092381104 640736622 /nfs/dbraw/zinc/73/66/22/640736622.db2.gz ARRCNHPROXFAAB-UHFFFAOYSA-N 1 1 296.842 3.209 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCS[C@@H](CC)C2)c1 ZINC000093502362 640773733 /nfs/dbraw/zinc/77/37/33/640773733.db2.gz OYOSGYFXTKXGHL-AWEZNQCLSA-N 1 1 281.421 3.118 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H](C)C(C)C)c1O ZINC000037328736 798866286 /nfs/dbraw/zinc/86/62/86/798866286.db2.gz ZXSGDBIVDCJGSR-SNVBAGLBSA-N 1 1 267.344 3.210 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)[C@H](C)C(C)C)c1O ZINC000037328736 798866292 /nfs/dbraw/zinc/86/62/92/798866292.db2.gz ZXSGDBIVDCJGSR-SNVBAGLBSA-N 1 1 267.344 3.210 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@H]2C)c1O ZINC000380690383 799365498 /nfs/dbraw/zinc/36/54/98/799365498.db2.gz BREIUXNSBRKLSI-VHSXEESVSA-N 1 1 281.783 3.479 20 10 CGCDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000384314621 799415926 /nfs/dbraw/zinc/41/59/26/799415926.db2.gz RVNPQZGFRNDZOB-BONVTDFDSA-N 1 1 279.355 3.354 20 10 CGCDMO [NH3+]C[C@@H]1CCCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000387441872 799446944 /nfs/dbraw/zinc/44/69/44/799446944.db2.gz KCSROJAFEDMNIK-AWEZNQCLSA-N 1 1 284.403 3.106 20 10 CGCDMO [NH3+]C[C@@H]1CCCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000387441872 799446947 /nfs/dbraw/zinc/44/69/47/799446947.db2.gz KCSROJAFEDMNIK-AWEZNQCLSA-N 1 1 284.403 3.106 20 10 CGCDMO C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccc(F)cc1O ZINC000689225084 799763049 /nfs/dbraw/zinc/76/30/49/799763049.db2.gz NBDMCFFXUGOEST-PRHODGIISA-N 1 1 259.271 3.227 20 10 CGCDMO CCSC1(C[NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000691799924 799786717 /nfs/dbraw/zinc/78/67/17/799786717.db2.gz IGVQMQBQLYADEP-SNVBAGLBSA-N 1 1 269.385 3.468 20 10 CGCDMO C[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1ccc(F)cc1O ZINC000701933961 799899821 /nfs/dbraw/zinc/89/98/21/799899821.db2.gz CMHRSZNKZWHOQA-BDAKNGLRSA-N 1 1 259.271 3.227 20 10 CGCDMO C[N@H+](CCCOc1ccc(F)cc1)c1ccc(N)cc1 ZINC000702055687 799902589 /nfs/dbraw/zinc/90/25/89/799902589.db2.gz KGUBUWHJEBNVCM-UHFFFAOYSA-N 1 1 274.339 3.313 20 10 CGCDMO C[N@@H+](CCCOc1ccc(F)cc1)c1ccc(N)cc1 ZINC000702055687 799902592 /nfs/dbraw/zinc/90/25/92/799902592.db2.gz KGUBUWHJEBNVCM-UHFFFAOYSA-N 1 1 274.339 3.313 20 10 CGCDMO CCC[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)OCC ZINC000705312112 799947094 /nfs/dbraw/zinc/94/70/94/799947094.db2.gz RZKLFHCEBUIIDU-WCQYABFASA-N 1 1 269.360 3.387 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)c1O ZINC000706825991 799967430 /nfs/dbraw/zinc/96/74/30/799967430.db2.gz KGWUGTCQUKXTCA-NHYWBVRUSA-N 1 1 277.339 3.108 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@]12C[C@H]1CCCC2 ZINC000708495429 799991088 /nfs/dbraw/zinc/99/10/88/799991088.db2.gz AWPUCSQBMYKKEA-ABAIWWIYSA-N 1 1 267.319 3.340 20 10 CGCDMO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(N)cc2)C1 ZINC000709622011 800010700 /nfs/dbraw/zinc/01/07/00/800010700.db2.gz NSQNTYZPFJIFOM-LBPRGKRZSA-N 1 1 258.287 3.043 20 10 CGCDMO Cc1cc(Br)cc(C[N@@H+](C)CCCF)c1O ZINC000716640777 800177638 /nfs/dbraw/zinc/17/76/38/800177638.db2.gz YDXALBKWBUQHHL-UHFFFAOYSA-N 1 1 290.176 3.255 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)[C@H]1CCCOC1 ZINC000724013651 800353853 /nfs/dbraw/zinc/35/38/53/800353853.db2.gz QZMONXRAJRZAQX-HUBLWGQQSA-N 1 1 281.371 3.387 20 10 CGCDMO COC(=O)CC[N@H+](Cc1ccc(Cl)cc1O)CC(C)C ZINC001180275091 809987944 /nfs/dbraw/zinc/98/79/44/809987944.db2.gz GIJNDSNAUCPECF-UHFFFAOYSA-N 1 1 299.798 3.067 20 10 CGCDMO CC(C)C[N@@H+](Cc1ccc(N)cc1)Cc1ccccn1 ZINC001120371366 802742237 /nfs/dbraw/zinc/74/22/37/802742237.db2.gz DMWAUDSJYFYELR-UHFFFAOYSA-N 1 1 269.392 3.322 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCc3ncc(C)cc3C2)c1O ZINC001203614915 812406768 /nfs/dbraw/zinc/40/67/68/812406768.db2.gz GMXBBQDDHURLCQ-UHFFFAOYSA-N 1 1 298.386 3.053 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)Cc2cccnc2C)c1O ZINC001203615706 812407145 /nfs/dbraw/zinc/40/71/45/812407145.db2.gz XWGADPPSYJRFOX-UHFFFAOYSA-N 1 1 286.375 3.126 20 10 CGCDMO Cc1cccc2c(C[N@H+](C)Cc3ccccc3O)[nH]nc21 ZINC001137149458 803689230 /nfs/dbraw/zinc/68/92/30/803689230.db2.gz UWHZPIILTYWMAD-UHFFFAOYSA-N 1 1 281.359 3.209 20 10 CGCDMO C[N@@H+](CCc1ccccc1F)Cc1c([O-])cccc1F ZINC001137839707 803779730 /nfs/dbraw/zinc/77/97/30/803779730.db2.gz HKBDQRWENBKFGT-UHFFFAOYSA-N 1 1 277.314 3.345 20 10 CGCDMO C[N@H+](CCc1ccccc1F)Cc1c(O)cccc1F ZINC001137839707 803779734 /nfs/dbraw/zinc/77/97/34/803779734.db2.gz HKBDQRWENBKFGT-UHFFFAOYSA-N 1 1 277.314 3.345 20 10 CGCDMO C[N@@H+](CCc1ccccc1F)Cc1c(O)cccc1F ZINC001137839707 803779741 /nfs/dbraw/zinc/77/97/41/803779741.db2.gz HKBDQRWENBKFGT-UHFFFAOYSA-N 1 1 277.314 3.345 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2c([O-])cccc2F)cc1 ZINC001137839974 803780887 /nfs/dbraw/zinc/78/08/87/803780887.db2.gz OJWMACIYNISXBX-UHFFFAOYSA-N 1 1 288.366 3.229 20 10 CGCDMO CN(C)c1ccc(C[N@H+](C)Cc2c(O)cccc2F)cc1 ZINC001137839974 803780893 /nfs/dbraw/zinc/78/08/93/803780893.db2.gz OJWMACIYNISXBX-UHFFFAOYSA-N 1 1 288.366 3.229 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2c(O)cccc2F)cc1 ZINC001137839974 803780896 /nfs/dbraw/zinc/78/08/96/803780896.db2.gz OJWMACIYNISXBX-UHFFFAOYSA-N 1 1 288.366 3.229 20 10 CGCDMO FC[C@H]1[C@@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]12 ZINC001138220937 803874205 /nfs/dbraw/zinc/87/42/05/803874205.db2.gz SYODNXZZTRYDCX-NNZMDNLPSA-N 1 1 288.410 3.324 20 10 CGCDMO Cc1c(C[N@@H+]2C[C@H](CO)CC[C@H]2C)c2ccccc2n1C ZINC001138252675 803882246 /nfs/dbraw/zinc/88/22/46/803882246.db2.gz PQYSPEKSZKSYKG-UKRRQHHQSA-N 1 1 286.419 3.080 20 10 CGCDMO Cc1c(C[N@@H+](C)C[C@H]2CCCCO2)c2ccccc2n1C ZINC001138256863 803882975 /nfs/dbraw/zinc/88/29/75/803882975.db2.gz NLNRDSARRWSCCL-OAHLLOKOSA-N 1 1 286.419 3.488 20 10 CGCDMO Cc1c(C[N@H+]2C[C@H]3CC[C@@H]2C3)c2ccccc2n1C ZINC001138258064 803885183 /nfs/dbraw/zinc/88/51/83/803885183.db2.gz KBBJOMOFEBZMHA-UONOGXRCSA-N 1 1 254.377 3.471 20 10 CGCDMO Cc1c(C[N@@H+]2CC[C@H](N(C)C3CC3)C2)c2ccccc2n1C ZINC001138259882 803885277 /nfs/dbraw/zinc/88/52/77/803885277.db2.gz POGQTDHXRMDHCD-INIZCTEOSA-N 1 1 297.446 3.155 20 10 CGCDMO Cc1c(CN2CC[C@H]([N@H+](C)C3CC3)C2)c2ccccc2n1C ZINC001138259882 803885282 /nfs/dbraw/zinc/88/52/82/803885282.db2.gz POGQTDHXRMDHCD-INIZCTEOSA-N 1 1 297.446 3.155 20 10 CGCDMO Cc1c(CN2CC[C@H]([N@@H+](C)C3CC3)C2)c2ccccc2n1C ZINC001138259882 803885289 /nfs/dbraw/zinc/88/52/89/803885289.db2.gz POGQTDHXRMDHCD-INIZCTEOSA-N 1 1 297.446 3.155 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138353518 803900057 /nfs/dbraw/zinc/90/00/57/803900057.db2.gz DSKYWTXLYYFDKW-AWEZNQCLSA-N 1 1 258.409 3.301 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CCC[C@@H]3CF)ccc21 ZINC001138359593 803902108 /nfs/dbraw/zinc/90/21/08/803902108.db2.gz VCUOZVYLDLABJS-OAHLLOKOSA-N 1 1 262.372 3.003 20 10 CGCDMO [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC001139684532 804252914 /nfs/dbraw/zinc/25/29/14/804252914.db2.gz YFAYQJRZRSKAFL-GFCCVEGCSA-N 1 1 290.313 3.055 20 10 CGCDMO COc1ccc(CN[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc1C ZINC001246343937 804296179 /nfs/dbraw/zinc/29/61/79/804296179.db2.gz CUYKRXFMWAPGPJ-DOTOQJQBSA-N 1 1 290.451 3.260 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001140057597 804364831 /nfs/dbraw/zinc/36/48/31/804364831.db2.gz HJHRGZPIJQIYFL-GFCCVEGCSA-N 1 1 295.251 3.255 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCOC[C@H]1C1CCCCC1 ZINC001140060503 804365184 /nfs/dbraw/zinc/36/51/84/804365184.db2.gz ZAMWUFNJUQQCOI-INIZCTEOSA-N 1 1 293.382 3.312 20 10 CGCDMO COCC[C@@H]1CCCC[N@H+]1Cc1c(O)cccc1Cl ZINC001140344732 804419710 /nfs/dbraw/zinc/41/97/10/804419710.db2.gz KWESVPBSISAMRE-LBPRGKRZSA-N 1 1 283.799 3.437 20 10 CGCDMO Oc1cccc(Cl)c1C[N@@H+]1CCc2occc2C1 ZINC001140341822 804420535 /nfs/dbraw/zinc/42/05/35/804420535.db2.gz IZQASRMTWZVXKH-UHFFFAOYSA-N 1 1 263.724 3.197 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCc2occc2C1 ZINC001140341822 804420538 /nfs/dbraw/zinc/42/05/38/804420538.db2.gz IZQASRMTWZVXKH-UHFFFAOYSA-N 1 1 263.724 3.197 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C[C@H]1F ZINC001140462289 804440890 /nfs/dbraw/zinc/44/08/90/804440890.db2.gz DOJVGXSFTZEVAG-BXKDBHETSA-N 1 1 257.736 3.226 20 10 CGCDMO C[N@@H+](CCc1cccnc1)Cc1ccc(Cl)cc1O ZINC001140466978 804444085 /nfs/dbraw/zinc/44/40/85/804444085.db2.gz OKAYOWJJVOECAI-UHFFFAOYSA-N 1 1 276.767 3.115 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CCC[C@H]2c2cccnc2)c1O ZINC001140742648 804502610 /nfs/dbraw/zinc/50/26/10/804502610.db2.gz TXRHQXVTFPOOAR-HNNXBMFYSA-N 1 1 284.359 3.138 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2c(N)cccc2F)cc1 ZINC001140876845 804539535 /nfs/dbraw/zinc/53/95/35/804539535.db2.gz NXVNZHSQAHVGQN-UHFFFAOYSA-N 1 1 287.382 3.106 20 10 CGCDMO CCCCCCN1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC001140949720 804555870 /nfs/dbraw/zinc/55/58/70/804555870.db2.gz JMQJMPHNVPHQJD-UHFFFAOYSA-N 1 1 290.451 3.399 20 10 CGCDMO Cc1ccc(C[N@@H+](C)Cc2ccc(F)cc2)c(O)c1 ZINC001140948298 804556003 /nfs/dbraw/zinc/55/60/03/804556003.db2.gz BYUPXEKHDVHVOY-UHFFFAOYSA-N 1 1 259.324 3.472 20 10 CGCDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(C)cc1O ZINC001140954447 804558543 /nfs/dbraw/zinc/55/85/43/804558543.db2.gz RVLLYAVVEBHVQB-UHFFFAOYSA-N 1 1 299.370 3.451 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H]2c2ccccc2)c(OC)c1 ZINC001141029022 804575454 /nfs/dbraw/zinc/57/54/54/804575454.db2.gz HTTCHRPTRABKLW-MRXNPFEDSA-N 1 1 299.370 3.356 20 10 CGCDMO Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141158450 804600084 /nfs/dbraw/zinc/60/00/84/804600084.db2.gz ACDXKUATRKXNAC-MRXNPFEDSA-N 1 1 299.370 3.060 20 10 CGCDMO Oc1ccc(O)c(C[N@@H+]2CCc3cc(Cl)ccc3C2)c1 ZINC001141160674 804602230 /nfs/dbraw/zinc/60/22/30/804602230.db2.gz GZCQDBQJYSXQTH-UHFFFAOYSA-N 1 1 289.762 3.310 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CCc3cc(Cl)ccc3C2)c1 ZINC001141160674 804602235 /nfs/dbraw/zinc/60/22/35/804602235.db2.gz GZCQDBQJYSXQTH-UHFFFAOYSA-N 1 1 289.762 3.310 20 10 CGCDMO COc1ccsc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001141327075 804630863 /nfs/dbraw/zinc/63/08/63/804630863.db2.gz IISCTBPZGVKMAW-UHFFFAOYSA-N 1 1 275.373 3.021 20 10 CGCDMO CC[N@H+](Cc1ccncc1)Cc1cc(F)c(F)cc1O ZINC001142502729 804726819 /nfs/dbraw/zinc/72/68/19/804726819.db2.gz VVFXTIGDDIQDQO-UHFFFAOYSA-N 1 1 278.302 3.088 20 10 CGCDMO CC[N@@H+](Cc1ccncc1)Cc1cc(F)c(F)cc1O ZINC001142502729 804726822 /nfs/dbraw/zinc/72/68/22/804726822.db2.gz VVFXTIGDDIQDQO-UHFFFAOYSA-N 1 1 278.302 3.088 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC001142520472 804729980 /nfs/dbraw/zinc/72/99/80/804729980.db2.gz KCTOUYWOUCEQIH-HNNXBMFYSA-N 1 1 290.313 3.403 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC001142520472 804729983 /nfs/dbraw/zinc/72/99/83/804729983.db2.gz KCTOUYWOUCEQIH-HNNXBMFYSA-N 1 1 290.313 3.403 20 10 CGCDMO C[C@H]1CCCCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142520458 804730205 /nfs/dbraw/zinc/73/02/05/804730205.db2.gz JXSVTAFKYMGIQD-JTQLQIEISA-N 1 1 255.308 3.435 20 10 CGCDMO C[C@H]1CCCCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142520458 804730212 /nfs/dbraw/zinc/73/02/12/804730212.db2.gz JXSVTAFKYMGIQD-JTQLQIEISA-N 1 1 255.308 3.435 20 10 CGCDMO [O-]c1cc(F)c(F)cc1CN1CCc2cc(F)ccc2C1 ZINC001142527203 804733848 /nfs/dbraw/zinc/73/38/48/804733848.db2.gz OFIHRQASJXRACY-UHFFFAOYSA-N 1 1 293.288 3.368 20 10 CGCDMO C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143104007 804801591 /nfs/dbraw/zinc/80/15/91/804801591.db2.gz NZEDGZZFIRCCCV-ZIAGYGMSSA-N 1 1 291.435 3.283 20 10 CGCDMO C[N@H+](CCN1CCCC1)Cc1cccc(C(C)(C)C)c1O ZINC001143111870 804803069 /nfs/dbraw/zinc/80/30/69/804803069.db2.gz GXVGTXUUCSAKNM-UHFFFAOYSA-N 1 1 290.451 3.217 20 10 CGCDMO C[N@@H+](CCN1CCCC1)Cc1cccc(C(C)(C)C)c1O ZINC001143111870 804803078 /nfs/dbraw/zinc/80/30/78/804803078.db2.gz GXVGTXUUCSAKNM-UHFFFAOYSA-N 1 1 290.451 3.217 20 10 CGCDMO CC(C)[N@@H+](CCCO)Cc1cccc(C(C)(C)C)c1O ZINC001143110319 804803090 /nfs/dbraw/zinc/80/30/90/804803090.db2.gz CQVJWAQJRIJVLJ-UHFFFAOYSA-N 1 1 279.424 3.283 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)c1O ZINC001143111925 804803111 /nfs/dbraw/zinc/80/31/11/804803111.db2.gz IJGNHURTQHSCEB-CZUORRHYSA-N 1 1 289.419 3.301 20 10 CGCDMO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cccc(C(C)(C)C)c1O)C2 ZINC001143112293 804803786 /nfs/dbraw/zinc/80/37/86/804803786.db2.gz OYFWWBMBNIYFCJ-KSSFIOAISA-N 1 1 289.419 3.443 20 10 CGCDMO C[C@H]1CC[N@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249223322 805114736 /nfs/dbraw/zinc/11/47/36/805114736.db2.gz DLQTVSTVIDBVKQ-NSHDSACASA-N 1 1 259.349 3.171 20 10 CGCDMO C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC001257101409 807053305 /nfs/dbraw/zinc/05/33/05/807053305.db2.gz HDCDCJFLRWPDEQ-XOIINTDNSA-N 1 1 276.424 3.140 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170004125 807737634 /nfs/dbraw/zinc/73/76/34/807737634.db2.gz CKNVFLBKYTVPME-UHFFFAOYSA-N 1 1 292.423 3.235 20 10 CGCDMO CC[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCCOC1 ZINC001261509197 807753406 /nfs/dbraw/zinc/75/34/06/807753406.db2.gz LZZBZALLGJBPTP-GOSISDBHSA-N 1 1 288.435 3.288 20 10 CGCDMO CC[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)CCO1 ZINC001170237215 807799424 /nfs/dbraw/zinc/79/94/24/807799424.db2.gz HRVKBJVAYCSSIQ-IRXDYDNUSA-N 1 1 276.424 3.142 20 10 CGCDMO Oc1cc(F)c(F)cc1Nc1cc[nH+]c2ccccc12 ZINC001174040172 808840243 /nfs/dbraw/zinc/84/02/43/808840243.db2.gz WDWZLSLORAUMIF-UHFFFAOYSA-N 1 1 272.254 3.384 20 10 CGCDMO CN(c1ccc(N)cc1)C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001174395078 808993505 /nfs/dbraw/zinc/99/35/05/808993505.db2.gz QODOKIRZLMRIBC-UHFFFAOYSA-N 1 1 293.414 3.495 20 10 CGCDMO C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2ccccc2c1O ZINC001276374230 809004611 /nfs/dbraw/zinc/00/46/11/809004611.db2.gz SKNCEZUXGSUTHH-ALOPSCKCSA-N 1 1 296.414 3.260 20 10 CGCDMO C[N@H+]1CCC=C(Nc2ccc(Cc3ccc(N)cc3)cc2)C1 ZINC001175580989 809461157 /nfs/dbraw/zinc/46/11/57/809461157.db2.gz VXPOWWRZZFBIPS-UHFFFAOYSA-N 1 1 293.414 3.491 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCc1ccc(Cl)nc1 ZINC001177981831 809837784 /nfs/dbraw/zinc/83/77/84/809837784.db2.gz SCNYNEWUHZUEBG-UHFFFAOYSA-N 1 1 298.720 3.051 20 10 CGCDMO CC(C)[C@H]1CC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001180326370 809993658 /nfs/dbraw/zinc/99/36/58/809993658.db2.gz KNCVIRRRAYITIL-KEGWNNHHSA-N 1 1 258.409 3.496 20 10 CGCDMO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC001180531754 810008885 /nfs/dbraw/zinc/00/88/85/810008885.db2.gz JQJXVFLBBDGIFR-AAEUAGOBSA-N 1 1 283.799 3.353 20 10 CGCDMO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC001180531754 810008888 /nfs/dbraw/zinc/00/88/88/810008888.db2.gz JQJXVFLBBDGIFR-AAEUAGOBSA-N 1 1 283.799 3.353 20 10 CGCDMO CO[C@@]1(C)CCC[N@H+](Cc2cc(F)c(F)cc2O)CC1 ZINC001181428121 810051921 /nfs/dbraw/zinc/05/19/21/810051921.db2.gz SACLKSNQXKJTFF-HNNXBMFYSA-N 1 1 285.334 3.061 20 10 CGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc(F)c(F)cc2O)CC1 ZINC001181428121 810051923 /nfs/dbraw/zinc/05/19/23/810051923.db2.gz SACLKSNQXKJTFF-HNNXBMFYSA-N 1 1 285.334 3.061 20 10 CGCDMO Cc1ccc(C[NH2+]CC(F)(F)C(C)(C)C)c(O)c1 ZINC001183025391 810134493 /nfs/dbraw/zinc/13/44/93/810134493.db2.gz RYXIVAYOGSHSOU-UHFFFAOYSA-N 1 1 257.324 3.472 20 10 CGCDMO CC[C@@]1(O)CCC[N@@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001183279806 810143594 /nfs/dbraw/zinc/14/35/94/810143594.db2.gz DPCHAZRGGPVKRB-QGZVFWFLSA-N 1 1 277.408 3.253 20 10 CGCDMO CC(C)(C[NH2+]Cc1cc(F)c(F)cc1O)C1=CCOCC1 ZINC001184336617 810193377 /nfs/dbraw/zinc/19/33/77/810193377.db2.gz BXTTWZSXHDALRL-UHFFFAOYSA-N 1 1 297.345 3.133 20 10 CGCDMO CCc1cc(NCc2ccc3cccnc3c2O)nc(C)[nH+]1 ZINC001186746858 810358813 /nfs/dbraw/zinc/35/88/13/810358813.db2.gz DDZHWGYBMZPPAQ-UHFFFAOYSA-N 1 1 294.358 3.213 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](C3CCC3)C2)cc1 ZINC001195146365 811215302 /nfs/dbraw/zinc/21/53/02/811215302.db2.gz CONNOIAYVWTKAS-INIZCTEOSA-N 1 1 258.409 3.375 20 10 CGCDMO Oc1cccc2c1C[N@@H+](CCCc1ccccc1)CC2 ZINC001201672565 811933903 /nfs/dbraw/zinc/93/39/03/811933903.db2.gz SWAMERZWFJIVQM-UHFFFAOYSA-N 1 1 267.372 3.383 20 10 CGCDMO COc1cccc(C[N@@H+](C)CCc2cccc(F)c2)c1O ZINC001203600222 812405567 /nfs/dbraw/zinc/40/55/67/812405567.db2.gz YCIAZCHSCYZFOZ-UHFFFAOYSA-N 1 1 289.350 3.214 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1ccc(OC)cc1O ZINC001203628923 812411112 /nfs/dbraw/zinc/41/11/12/812411112.db2.gz KWMFHZWCFCYRSQ-UHFFFAOYSA-N 1 1 287.359 3.129 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)CC[C@]1(C)O ZINC001203651776 812414946 /nfs/dbraw/zinc/41/49/46/812414946.db2.gz UOYGQOCHHIBVRJ-NHYWBVRUSA-N 1 1 283.799 3.029 20 10 CGCDMO Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001203650601 812415329 /nfs/dbraw/zinc/41/53/29/812415329.db2.gz XKMXSMXSPVCJGK-SKDRFNHKSA-N 1 1 282.181 3.139 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001203650814 812415763 /nfs/dbraw/zinc/41/57/63/812415763.db2.gz DJSIXPSDZXTSKV-HNNXBMFYSA-N 1 1 281.783 3.191 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCCC[C@@](C)(F)C2)c1 ZINC001203669429 812425573 /nfs/dbraw/zinc/42/55/73/812425573.db2.gz BWNGSWSMUOSOHW-OAHLLOKOSA-N 1 1 267.344 3.115 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@](C)(F)C2)cc1 ZINC001203931867 812495115 /nfs/dbraw/zinc/49/51/15/812495115.db2.gz XOYRNWLSKSSBOR-INIZCTEOSA-N 1 1 264.388 3.467 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCCC[C@@H]2C(C)=O)cc1 ZINC001203941695 812497383 /nfs/dbraw/zinc/49/73/83/812497383.db2.gz FJBOHLWWVPRGDT-GOSISDBHSA-N 1 1 288.435 3.476 20 10 CGCDMO CC[N@@H+](Cc1ccc(O)cc1)Cc1ccccc1O ZINC001204097180 812549627 /nfs/dbraw/zinc/54/96/27/812549627.db2.gz SSLAUWLLSMMRCP-UHFFFAOYSA-N 1 1 257.333 3.120 20 10 CGCDMO C[C@H]1CC(=O)CC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204233342 812579894 /nfs/dbraw/zinc/57/98/94/812579894.db2.gz QFRWMFKBFIETBQ-AWEZNQCLSA-N 1 1 296.414 3.459 20 10 CGCDMO C[C@H]1CC(=O)CC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204233342 812579898 /nfs/dbraw/zinc/57/98/98/812579898.db2.gz QFRWMFKBFIETBQ-AWEZNQCLSA-N 1 1 296.414 3.459 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCOC3(CC3)C2)c2ccccc21 ZINC001204240143 812581097 /nfs/dbraw/zinc/58/10/97/812581097.db2.gz IYRHIYKRUKRDNX-UHFFFAOYSA-N 1 1 296.414 3.271 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)CC[C@@H]1O ZINC001204234158 812581957 /nfs/dbraw/zinc/58/19/57/812581957.db2.gz XRHWZGRCYOEVFM-KUHUBIRLSA-N 1 1 298.430 3.109 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@](C)(O)C2)c2ccccc21 ZINC001204242813 812583807 /nfs/dbraw/zinc/58/38/07/812583807.db2.gz SFRCWGBYKMOOHJ-LJQANCHMSA-N 1 1 298.430 3.253 20 10 CGCDMO Oc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2)c(O)c1 ZINC001204274707 812592986 /nfs/dbraw/zinc/59/29/86/812592986.db2.gz GZFHRXJCRSWOJP-MRXNPFEDSA-N 1 1 269.344 3.435 20 10 CGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001204322665 812612404 /nfs/dbraw/zinc/61/24/04/812612404.db2.gz VGHFTYLGJPSYCV-DOTOQJQBSA-N 1 1 256.393 3.271 20 10 CGCDMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204328023 812614274 /nfs/dbraw/zinc/61/42/74/812614274.db2.gz AWPNHMKPONWSPT-QGZVFWFLSA-N 1 1 288.435 3.022 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CC[C@@H](C(C)C)C2)c(O)c1 ZINC001204388400 812626362 /nfs/dbraw/zinc/62/63/62/812626362.db2.gz BUTCMAATPIJSFX-CYBMUJFWSA-N 1 1 263.381 3.187 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1O ZINC001204892075 812766836 /nfs/dbraw/zinc/76/68/36/812766836.db2.gz UVQSMCLMMBEVAP-DZGCQCFKSA-N 1 1 275.392 3.474 20 10 CGCDMO CC(C)[C@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC001204974781 812803603 /nfs/dbraw/zinc/80/36/03/812803603.db2.gz BOEKOQPGYWUPLV-OOFWQKGWSA-N 1 1 288.435 3.123 20 10 CGCDMO CC(C)[C@H]1C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC001204974781 812803612 /nfs/dbraw/zinc/80/36/12/812803612.db2.gz BOEKOQPGYWUPLV-OOFWQKGWSA-N 1 1 288.435 3.123 20 10 CGCDMO C[C@@H]1CC[C@@H](CN)[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001205840882 813104700 /nfs/dbraw/zinc/10/47/00/813104700.db2.gz INJTUKCXMNTNPO-CJNGLKHVSA-N 1 1 290.451 3.249 20 10 CGCDMO C[C@@H]1CC[C@@H](CN)[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001205840882 813104703 /nfs/dbraw/zinc/10/47/03/813104703.db2.gz INJTUKCXMNTNPO-CJNGLKHVSA-N 1 1 290.451 3.249 20 10 CGCDMO C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC001205913890 813130677 /nfs/dbraw/zinc/13/06/77/813130677.db2.gz KLYXUCPOSNTVOB-DZGCQCFKSA-N 1 1 284.403 3.105 20 10 CGCDMO C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC001205913890 813130680 /nfs/dbraw/zinc/13/06/80/813130680.db2.gz KLYXUCPOSNTVOB-DZGCQCFKSA-N 1 1 284.403 3.105 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@@H+](C)[C@@H]2CN3CCC2CC3)c1 ZINC001207252699 813521611 /nfs/dbraw/zinc/52/16/11/813521611.db2.gz RSOYQQISXVWLKH-QGZVFWFLSA-N 1 1 288.435 3.042 20 10 CGCDMO CC(C)c1ccc(O)c(CN(C)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001207252699 813521614 /nfs/dbraw/zinc/52/16/14/813521614.db2.gz RSOYQQISXVWLKH-QGZVFWFLSA-N 1 1 288.435 3.042 20 10 CGCDMO Cc1cccc(CC[N@H+]2CCc3cccc(O)c3C2)c1 ZINC001207537248 813590543 /nfs/dbraw/zinc/59/05/43/813590543.db2.gz ZCLSTQQMZBYRFR-UHFFFAOYSA-N 1 1 267.372 3.301 20 10 CGCDMO CC[N@@H+](CCC(C)(C)OC)Cc1ccccc1O ZINC001209409965 814017962 /nfs/dbraw/zinc/01/79/62/814017962.db2.gz GFYKHBKQDIXCMM-UHFFFAOYSA-N 1 1 251.370 3.029 20 10 CGCDMO C[C@@H]1C[C@H]1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001209421452 814022155 /nfs/dbraw/zinc/02/21/55/814022155.db2.gz PUAVGDOGMFBYAY-ZBFHGGJFSA-N 1 1 258.409 3.375 20 10 CGCDMO CC(C)[C@@H]([NH3+])c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217693886 815939374 /nfs/dbraw/zinc/93/93/74/815939374.db2.gz BLPRGUFLSUWCKY-CQSZACIVSA-N 1 1 282.347 3.183 20 10 CGCDMO Cc1cccc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1O ZINC001231591706 818131254 /nfs/dbraw/zinc/13/12/54/818131254.db2.gz KOMFNZMNGVUJLT-BETUJISGSA-N 1 1 267.319 3.178 20 10 CGCDMO Cc1cccc(C[N@@H+]2CCCCC(F)(F)C2)c1O ZINC001231591033 818131432 /nfs/dbraw/zinc/13/14/32/818131432.db2.gz QOTRXKJQSSTCSA-UHFFFAOYSA-N 1 1 255.308 3.322 20 10 CGCDMO Cc1cccc(C[N@H+]2CCCCC(F)(F)C2)c1O ZINC001231591033 818131435 /nfs/dbraw/zinc/13/14/35/818131435.db2.gz QOTRXKJQSSTCSA-UHFFFAOYSA-N 1 1 255.308 3.322 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)c1O ZINC001231590978 818132447 /nfs/dbraw/zinc/13/24/47/818132447.db2.gz MXYPOMCJUHGLKF-CABCVRRESA-N 1 1 273.376 3.034 20 10 CGCDMO COc1cc(F)ccc1C[N@@H+](C)Cc1ccccc1O ZINC001231606880 818137268 /nfs/dbraw/zinc/13/72/68/818137268.db2.gz UBMALTPBWGSZGN-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(O)c1 ZINC001231841459 818185778 /nfs/dbraw/zinc/18/57/78/818185778.db2.gz BDBPRYUFECLRQR-PBHICJAKSA-N 1 1 275.392 3.010 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)c(O)c1 ZINC001231843015 818186428 /nfs/dbraw/zinc/18/64/28/818186428.db2.gz SCTGKEVDBJRNTE-HOCLYGCPSA-N 1 1 287.403 3.343 20 10 CGCDMO Cc1cc(C)c(C[N@H+](C(C)C)C2CCOCC2)c(O)c1 ZINC001231847787 818187284 /nfs/dbraw/zinc/18/72/84/818187284.db2.gz DHHREBHQVNYTMO-UHFFFAOYSA-N 1 1 277.408 3.398 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@@H+](C)CC1CC(F)(F)C1 ZINC001231853936 818188519 /nfs/dbraw/zinc/18/85/19/818188519.db2.gz VAGOKUSURTVVKN-UHFFFAOYSA-N 1 1 298.377 3.238 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@]3(CCO3)C2)cc1Cl ZINC001231870569 818194038 /nfs/dbraw/zinc/19/40/38/818194038.db2.gz JXAVDFVZUARRIB-HNNXBMFYSA-N 1 1 281.783 3.109 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1cnc(F)cc1C ZINC001231984050 818223314 /nfs/dbraw/zinc/22/33/14/818223314.db2.gz LOEOZVUEHUGAMS-UHFFFAOYSA-N 1 1 274.339 3.257 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1ccc(O)c2ncccc12 ZINC001232277834 818302680 /nfs/dbraw/zinc/30/26/80/818302680.db2.gz VPXOOVQMBHDVCR-UHFFFAOYSA-N 1 1 294.354 3.278 20 10 CGCDMO C[N@@H+](Cc1ccc(OC(F)F)nc1)Cc1ccccc1O ZINC001232957940 818483983 /nfs/dbraw/zinc/48/39/83/818483983.db2.gz QWYRMWXIQXVKBD-UHFFFAOYSA-N 1 1 294.301 3.021 20 10 CGCDMO Cc1cc(C)c(C[N@@H+](C)Cc2ccccc2O)cn1 ZINC001233008094 818500600 /nfs/dbraw/zinc/50/06/00/818500600.db2.gz AJZGRPGNTZTZNN-UHFFFAOYSA-N 1 1 256.349 3.036 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H](F)C2)c1O ZINC001233288105 818570439 /nfs/dbraw/zinc/57/04/39/818570439.db2.gz WTQCFHIXJZVFAG-GFCCVEGCSA-N 1 1 287.762 3.378 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CCCC[C@@H](F)C2)c1O ZINC001233288105 818570444 /nfs/dbraw/zinc/57/04/44/818570444.db2.gz WTQCFHIXJZVFAG-GFCCVEGCSA-N 1 1 287.762 3.378 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001233332173 818586154 /nfs/dbraw/zinc/58/61/54/818586154.db2.gz BFDZXOOSIXOJRO-DTORHVGOSA-N 1 1 289.272 3.148 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001233332173 818586162 /nfs/dbraw/zinc/58/61/62/818586162.db2.gz BFDZXOOSIXOJRO-DTORHVGOSA-N 1 1 289.272 3.148 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001233332490 818586968 /nfs/dbraw/zinc/58/69/68/818586968.db2.gz MRRVLFZSCLZFER-MNOVXSKESA-N 1 1 267.319 3.292 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001233332490 818586976 /nfs/dbraw/zinc/58/69/76/818586976.db2.gz MRRVLFZSCLZFER-MNOVXSKESA-N 1 1 267.319 3.292 20 10 CGCDMO C[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233416172 818615226 /nfs/dbraw/zinc/61/52/26/818615226.db2.gz YNWNNUQOEBJZBP-VIFPVBQESA-N 1 1 259.271 3.253 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233416172 818615228 /nfs/dbraw/zinc/61/52/28/818615228.db2.gz YNWNNUQOEBJZBP-VIFPVBQESA-N 1 1 259.271 3.253 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)C[C@H](C)O1 ZINC001233451347 818623336 /nfs/dbraw/zinc/62/33/36/818623336.db2.gz HHRKKADTWCRDAE-AOOOYVTPSA-N 1 1 289.297 3.020 20 10 CGCDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455634 818624848 /nfs/dbraw/zinc/62/48/48/818624848.db2.gz SGBLRPFOVOZJNE-GFCCVEGCSA-N 1 1 289.297 3.022 20 10 CGCDMO CC[N@@H+](Cc1ccc(C)cc1)Cc1cc(O)c(O)cc1O ZINC001233487012 818625215 /nfs/dbraw/zinc/62/52/15/818625215.db2.gz LMLVVQCNEJTNJG-UHFFFAOYSA-N 1 1 287.359 3.134 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1)Cc1cc(O)c(O)cc1O ZINC001233485293 818625798 /nfs/dbraw/zinc/62/57/98/818625798.db2.gz PUAGBFOTOYLXAZ-UHFFFAOYSA-N 1 1 287.359 3.216 20 10 CGCDMO COc1ccc2ccc(O)c(C[N@H+]3C[C@@H](C)[C@@H](F)C3)c2c1 ZINC001234525898 818874491 /nfs/dbraw/zinc/87/44/91/818874491.db2.gz MYECSWHSCKZZDG-BZNIZROVSA-N 1 1 289.350 3.344 20 10 CGCDMO COC(=O)[C@H](C)[N@H+](C)Cc1cccc(-c2ccccc2)c1O ZINC001234996439 818972509 /nfs/dbraw/zinc/97/25/09/818972509.db2.gz HNPKXFCEXMDUAQ-ZDUSSCGKSA-N 1 1 299.370 3.053 20 10 CGCDMO COC(=O)[C@H](C)[N@@H+](C)Cc1cccc(-c2ccccc2)c1O ZINC001234996439 818972512 /nfs/dbraw/zinc/97/25/12/818972512.db2.gz HNPKXFCEXMDUAQ-ZDUSSCGKSA-N 1 1 299.370 3.053 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CCCC[C@H]2CO)c(O)c1 ZINC001235674918 819135332 /nfs/dbraw/zinc/13/53/32/819135332.db2.gz IXMSBAPZXHWLHQ-HNNXBMFYSA-N 1 1 277.408 3.037 20 10 CGCDMO C[N@@H+](Cc1ccc(C(C)(C)C)cc1O)[C@@H]1CCCOC1 ZINC001235679435 819138711 /nfs/dbraw/zinc/13/87/11/819138711.db2.gz FGCXQOYKSFRPJP-OAHLLOKOSA-N 1 1 277.408 3.301 20 10 CGCDMO Nc1ccc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC001235933633 819230827 /nfs/dbraw/zinc/23/08/27/819230827.db2.gz IDXKTMNUIOWJDR-HNNXBMFYSA-N 1 1 270.351 3.397 20 10 CGCDMO Nc1ccc2c(c1)C[N@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001236232003 819393589 /nfs/dbraw/zinc/39/35/89/819393589.db2.gz KJOQFGCQTTUEFD-UHFFFAOYSA-N 1 1 288.778 3.186 20 10 CGCDMO CCc1ccc(C[N@@H+](CC)CCN2CCCCC2)c(O)c1 ZINC001236792332 819595829 /nfs/dbraw/zinc/59/58/29/819595829.db2.gz PIJSVBZCKMFXBE-UHFFFAOYSA-N 1 1 290.451 3.262 20 10 CGCDMO CCc1ccc(CN(CC)CC[NH+]2CCCCC2)c(O)c1 ZINC001236792332 819595835 /nfs/dbraw/zinc/59/58/35/819595835.db2.gz PIJSVBZCKMFXBE-UHFFFAOYSA-N 1 1 290.451 3.262 20 10 CGCDMO O=C1CC[N@@H+](Cc2cc3ccccc3cc2O)CC[C@@H]1F ZINC001236826207 819608591 /nfs/dbraw/zinc/60/85/91/819608591.db2.gz IKFKWGRKAWFZCY-HNNXBMFYSA-N 1 1 287.334 3.048 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC001236826459 819609315 /nfs/dbraw/zinc/60/93/15/819609315.db2.gz KCRFETJGPHFTJH-GOSISDBHSA-N 1 1 283.371 3.158 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@@H+]1Cc2cccnc2C1 ZINC001236835067 819615738 /nfs/dbraw/zinc/61/57/38/819615738.db2.gz DJZJJYICSXTRRX-UHFFFAOYSA-N 1 1 276.339 3.456 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@H+]1Cc2cccnc2C1 ZINC001236835067 819615741 /nfs/dbraw/zinc/61/57/41/819615741.db2.gz DJZJJYICSXTRRX-UHFFFAOYSA-N 1 1 276.339 3.456 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CO)c(O)c1 ZINC001237046180 819649843 /nfs/dbraw/zinc/64/98/43/819649843.db2.gz RASTYKPKKPKCDJ-CJNGLKHVSA-N 1 1 277.408 3.108 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCCC[C@@](O)(CF)C2)c(O)c1 ZINC001237046129 819651052 /nfs/dbraw/zinc/65/10/52/819651052.db2.gz PYSMQSGZRXXAHO-QGZVFWFLSA-N 1 1 295.398 3.202 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCN3CCCC[C@H]3C2)c(O)c1 ZINC001237052883 819652058 /nfs/dbraw/zinc/65/20/58/819652058.db2.gz DXPDLGAQIROSHT-KRWDZBQOSA-N 1 1 288.435 3.186 20 10 CGCDMO CC(C)c1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)c(O)c1 ZINC001237052883 819652064 /nfs/dbraw/zinc/65/20/64/819652064.db2.gz DXPDLGAQIROSHT-KRWDZBQOSA-N 1 1 288.435 3.186 20 10 CGCDMO CC(C)c1ccc(CN2CC[N@H+]3CCCC[C@H]3C2)c(O)c1 ZINC001237052883 819652066 /nfs/dbraw/zinc/65/20/66/819652066.db2.gz DXPDLGAQIROSHT-KRWDZBQOSA-N 1 1 288.435 3.186 20 10 CGCDMO CC(C)c1ccc(C[N@H+](CCCO)C(C)C)c(O)c1 ZINC001237052929 819652137 /nfs/dbraw/zinc/65/21/37/819652137.db2.gz FJNIRSOBHJQYFT-UHFFFAOYSA-N 1 1 265.397 3.108 20 10 CGCDMO CC(C)c1ccc(C[NH+]2CCC(N3CCC3)CC2)c(O)c1 ZINC001237051356 819652667 /nfs/dbraw/zinc/65/26/67/819652667.db2.gz KYIPYNKNUIPOPV-UHFFFAOYSA-N 1 1 288.435 3.186 20 10 CGCDMO COCC[N@@H+](Cc1ccc(C(C)C)cc1O)C(C)C ZINC001237053907 819654969 /nfs/dbraw/zinc/65/49/69/819654969.db2.gz QWTMGNHFBIRPAJ-UHFFFAOYSA-N 1 1 265.397 3.372 20 10 CGCDMO C[N@H+](Cc1c(O)ccc(Cl)c1Cl)CC1(C)COC1 ZINC001237083052 819664089 /nfs/dbraw/zinc/66/40/89/819664089.db2.gz XMZNHPAKTGCOBD-UHFFFAOYSA-N 1 1 290.190 3.167 20 10 CGCDMO C[N@@H+](Cc1c(O)ccc(Cl)c1Cl)CC1(C)COC1 ZINC001237083052 819664095 /nfs/dbraw/zinc/66/40/95/819664095.db2.gz XMZNHPAKTGCOBD-UHFFFAOYSA-N 1 1 290.190 3.167 20 10 CGCDMO CC(C)C[N@@H+](C)Cc1cc(C(F)(F)F)ccc1O ZINC001237135558 819675462 /nfs/dbraw/zinc/67/54/62/819675462.db2.gz KAOYVCIOFUOMCS-UHFFFAOYSA-N 1 1 261.287 3.499 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237155297 819681484 /nfs/dbraw/zinc/68/14/84/819681484.db2.gz IFGMRYSNSZHMFR-AWEZNQCLSA-N 1 1 294.826 3.152 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+]1CCC(=O)[C@@H](C)C12CCCC2 ZINC001237495208 819764078 /nfs/dbraw/zinc/76/40/78/819764078.db2.gz NGPMYKIKDIVQOQ-CQSZACIVSA-N 1 1 287.403 3.424 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@H](C)C[C@H]2C)c(O)c(OC)c1 ZINC001237677070 819804085 /nfs/dbraw/zinc/80/40/85/819804085.db2.gz WPAGCYAGWHOLFF-NWDGAFQWSA-N 1 1 279.380 3.030 20 10 CGCDMO COc1cc(C[N@H+]2CCCC3(CCC3)C2)c(O)c(OC)c1 ZINC001237682786 819806741 /nfs/dbraw/zinc/80/67/41/819806741.db2.gz DDIBOCURLDOJPN-UHFFFAOYSA-N 1 1 291.391 3.176 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)c1O ZINC001237679953 819807238 /nfs/dbraw/zinc/80/72/38/819807238.db2.gz MSZPULHEGAOTGH-WFASDCNBSA-N 1 1 295.810 3.355 20 10 CGCDMO C[C@H]1SCC[N@@H+](Cc2ccc(Cl)cc2O)[C@H]1C ZINC001474369535 937855250 /nfs/dbraw/zinc/85/52/50/937855250.db2.gz MNPIWEDAZZRZJP-VHSXEESVSA-N 1 1 271.813 3.371 20 10 CGCDMO C[C@@H]1COc2ccccc2C[N@H+]1Cc1ccc(N)cc1 ZINC001352790624 937049286 /nfs/dbraw/zinc/04/92/86/937049286.db2.gz SKVYMARRXIAJMD-CYBMUJFWSA-N 1 1 268.360 3.052 20 10 CGCDMO Nc1ccc(C[N@@H+]2CCc3c(F)cc(F)cc3C2)cc1 ZINC001356083415 937152703 /nfs/dbraw/zinc/15/27/03/937152703.db2.gz PCPAYRURXSIFPZ-UHFFFAOYSA-N 1 1 274.314 3.105 20 10 CGCDMO Nc1ccc(C[N@H+]2CCc3c(F)cc(F)cc3C2)cc1 ZINC001356083415 937152704 /nfs/dbraw/zinc/15/27/04/937152704.db2.gz PCPAYRURXSIFPZ-UHFFFAOYSA-N 1 1 274.314 3.105 20 10 CGCDMO COc1nscc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC001459978046 937509373 /nfs/dbraw/zinc/50/93/73/937509373.db2.gz BDVGCOVDLROHBI-LLVKDONJSA-N 1 1 291.420 3.069 20 10 CGCDMO COc1ccc(N2CCC[N@@H+](CC3CC(C)C3)CC2)cc1 ZINC001307424532 932951066 /nfs/dbraw/zinc/95/10/66/932951066.db2.gz STSPMEJRQBSFOX-UHFFFAOYSA-N 1 1 288.435 3.253 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+]Cc1cccc2[nH]ccc21 ZINC001462537131 937648440 /nfs/dbraw/zinc/64/84/40/937648440.db2.gz YADNUUZYYYPJQQ-UHFFFAOYSA-N 1 1 288.297 3.442 20 10 CGCDMO Fc1cccnc1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001308393470 933104934 /nfs/dbraw/zinc/10/49/34/933104934.db2.gz VTDYEWWDAQEVOE-UHFFFAOYSA-N 1 1 285.366 3.111 20 10 CGCDMO CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2[O-])[C@H](C)C1 ZINC001308569549 933134992 /nfs/dbraw/zinc/13/49/92/933134992.db2.gz YHRVJXGRIKOGHA-DOMZBBRYSA-N 1 1 296.842 3.208 20 10 CGCDMO CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2[O-])[C@H](C)C1 ZINC001308569549 933134994 /nfs/dbraw/zinc/13/49/94/933134994.db2.gz YHRVJXGRIKOGHA-DOMZBBRYSA-N 1 1 296.842 3.208 20 10 CGCDMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2[O-])[C@H](C)C1 ZINC001308569549 933134998 /nfs/dbraw/zinc/13/49/98/933134998.db2.gz YHRVJXGRIKOGHA-DOMZBBRYSA-N 1 1 296.842 3.208 20 10 CGCDMO CC(C)c1ccc(O)c(C[NH+]2CCN(C(C)C)CC2)c1 ZINC001308661454 933152320 /nfs/dbraw/zinc/15/23/20/933152320.db2.gz BALVWMXTHOHUTD-UHFFFAOYSA-N 1 1 276.424 3.042 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)c1O ZINC001308805338 933180400 /nfs/dbraw/zinc/18/04/00/933180400.db2.gz WRQFKMUHDSIQOV-INIZCTEOSA-N 1 1 275.392 3.330 20 10 CGCDMO CS[C@H]1CC[C@H]([N@@H+](C)Cc2cc(C)ccc2O)C1 ZINC001324753486 934564290 /nfs/dbraw/zinc/56/42/90/934564290.db2.gz VZWUVEJXRXOIPM-KBPBESRZSA-N 1 1 265.422 3.417 20 10 CGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@H](CF)C2)c1 ZINC001331035929 935343911 /nfs/dbraw/zinc/34/39/11/935343911.db2.gz IQEVKOARQVHTIO-LLVKDONJSA-N 1 1 281.371 3.187 20 10 CGCDMO C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC001331831987 935412901 /nfs/dbraw/zinc/41/29/01/935412901.db2.gz CKVZPRNRFKALBB-QWHCGFSZSA-N 1 1 272.392 3.052 20 10 CGCDMO C[N@@H+](Cc1ccc(N)cc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC001336118001 936176921 /nfs/dbraw/zinc/17/69/21/936176921.db2.gz ULLUJRBFOUAFKV-LJQANCHMSA-N 1 1 295.430 3.370 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCS[C@H](C)[C@H]1C ZINC001474368938 937854824 /nfs/dbraw/zinc/85/48/24/937854824.db2.gz CUIGGPPTAIIYCW-ZIAGYGMSSA-N 1 1 278.465 3.387 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)CCS1 ZINC001474443570 937860003 /nfs/dbraw/zinc/86/00/03/937860003.db2.gz XVWOEKWCLMAITI-SNVBAGLBSA-N 1 1 271.813 3.373 20 10 CGCDMO COc1cc(C)c(C[N@@H+](CC2CC2)C2CCC2)c(O)c1 ZINC001474474139 937862011 /nfs/dbraw/zinc/86/20/11/937862011.db2.gz CZWAGKVBBFPCMO-UHFFFAOYSA-N 1 1 275.392 3.474 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001474717040 937876696 /nfs/dbraw/zinc/87/66/96/937876696.db2.gz WQFOESPTXJUGSA-CYBMUJFWSA-N 1 1 285.362 3.426 20 10 CGCDMO CCC1(CC)[C@H]([NH2+]Cc2c(O)cccc2F)C[C@H]1OC ZINC001474716232 937876782 /nfs/dbraw/zinc/87/67/82/937876782.db2.gz FYZWBKIDTXVCMO-HUUCEWRRSA-N 1 1 281.371 3.215 20 10 CGCDMO C[C@@H]1CCC[C@@H](C[NH2+]Cc2c(O)cccc2F)C1 ZINC001561015577 938289640 /nfs/dbraw/zinc/28/96/40/938289640.db2.gz AGYZKQPMJFCBNC-VXGBXAGGSA-N 1 1 251.345 3.447 20 10 CGCDMO Cc1cccc(C[N@H+]2CCc3nc(C(C)C)ncc3C2)c1O ZINC000143365415 346113041 /nfs/dbraw/zinc/11/30/41/346113041.db2.gz CUPBIHLNLCXJBD-UHFFFAOYSA-N 1 1 297.402 3.172 20 10 CGCDMO CCCC[N@H+](C)C[C@H](C)N[C@H](C)c1cc(OC)ccc1O ZINC000289820182 371832736 /nfs/dbraw/zinc/83/27/36/371832736.db2.gz OYLMHUSBDIDCCX-UONOGXRCSA-N 1 1 294.439 3.172 20 10 CGCDMO CCCC[N@@H+](C)C[C@H](C)N[C@H](C)c1cc(OC)ccc1O ZINC000289820182 371832741 /nfs/dbraw/zinc/83/27/41/371832741.db2.gz OYLMHUSBDIDCCX-UONOGXRCSA-N 1 1 294.439 3.172 20 10 CGCDMO CC[C@H](CSC)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000168862588 372621209 /nfs/dbraw/zinc/62/12/09/372621209.db2.gz BYDBDKGRPORQTP-GXSJLCMTSA-N 1 1 257.374 3.324 20 10 CGCDMO CCCOc1ccc(C[N@H+]2CC[C@@](C)(COC)C2)c(O)c1 ZINC000294298650 372642134 /nfs/dbraw/zinc/64/21/34/372642134.db2.gz UVWHBLRJAKZPHR-QGZVFWFLSA-N 1 1 293.407 3.039 20 10 CGCDMO CCCC[N@H+](Cc1cnns1)Cc1ccccc1O ZINC000295482488 372798265 /nfs/dbraw/zinc/79/82/65/372798265.db2.gz YUUMWOXRMNDKMK-UHFFFAOYSA-N 1 1 277.393 3.046 20 10 CGCDMO CCCC[N@@H+](Cc1cnns1)Cc1ccccc1O ZINC000295482488 372798266 /nfs/dbraw/zinc/79/82/66/372798266.db2.gz YUUMWOXRMNDKMK-UHFFFAOYSA-N 1 1 277.393 3.046 20 10 CGCDMO Cc1cccc(C[N@@H+](C)CCc2cccs2)c1O ZINC000180476550 374012203 /nfs/dbraw/zinc/01/22/03/374012203.db2.gz PVCOUCLAVGBSKJ-UHFFFAOYSA-N 1 1 261.390 3.437 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC3(CCCC3)C2)c1 ZINC000180196738 373976855 /nfs/dbraw/zinc/97/68/55/373976855.db2.gz HRGKMWOQXRABMH-UHFFFAOYSA-N 1 1 261.365 3.167 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000245848068 376918870 /nfs/dbraw/zinc/91/88/70/376918870.db2.gz LSHQUSAVYIGHFI-SMDDNHRTSA-N 1 1 281.783 3.047 20 10 CGCDMO COc1ccc2c(c1)C[N@H+](Cc1cccc(F)c1[O-])CC2 ZINC000272231887 378591480 /nfs/dbraw/zinc/59/14/80/378591480.db2.gz FAAJQXPHDBLILN-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO COc1ccc2c(c1)C[N@@H+](Cc1cccc(F)c1O)CC2 ZINC000272231887 378591484 /nfs/dbraw/zinc/59/14/84/378591484.db2.gz FAAJQXPHDBLILN-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1cccc(F)c1O ZINC000272240535 378593199 /nfs/dbraw/zinc/59/31/99/378593199.db2.gz GMRXMTNWFZFHDS-LLVKDONJSA-N 1 1 275.323 3.430 20 10 CGCDMO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1cccc(F)c1O ZINC000272240535 378593203 /nfs/dbraw/zinc/59/32/03/378593203.db2.gz GMRXMTNWFZFHDS-LLVKDONJSA-N 1 1 275.323 3.430 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000272335025 378615769 /nfs/dbraw/zinc/61/57/69/378615769.db2.gz XHZRWWLDNXHMAE-AWEZNQCLSA-N 1 1 260.312 3.197 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000272335025 378615773 /nfs/dbraw/zinc/61/57/73/378615773.db2.gz XHZRWWLDNXHMAE-AWEZNQCLSA-N 1 1 260.312 3.197 20 10 CGCDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000272477523 378646247 /nfs/dbraw/zinc/64/62/47/378646247.db2.gz BNMMFUOCVGFBRF-YOEHRIQHSA-N 1 1 297.398 3.262 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1ccc(F)cc1O ZINC000273361055 378742622 /nfs/dbraw/zinc/74/26/22/378742622.db2.gz AJKGUONSVRLRAQ-DTWKUNHWSA-N 1 1 295.276 3.149 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000373224274 379244764 /nfs/dbraw/zinc/24/47/64/379244764.db2.gz RJTGPDBGQIEQPD-CYBMUJFWSA-N 1 1 295.810 3.294 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375304157 379489680 /nfs/dbraw/zinc/48/96/80/379489680.db2.gz RJMFZUHOASSDIQ-HNNXBMFYSA-N 1 1 281.783 3.048 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)cc1 ZINC000376030273 379520113 /nfs/dbraw/zinc/52/01/13/379520113.db2.gz CGCZZACDZSKFOO-FUHWJXTLSA-N 1 1 288.435 3.144 20 10 CGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)c1nnc(C)o1 ZINC000282472598 379926648 /nfs/dbraw/zinc/92/66/48/379926648.db2.gz NYZYJDQDKMQMRC-LBPRGKRZSA-N 1 1 289.379 3.447 20 10 CGCDMO CCCC[N@@H+](Cc1ccnn1CC)Cc1ccccc1O ZINC000282817809 379996060 /nfs/dbraw/zinc/99/60/60/379996060.db2.gz ANLONXJOFLYHGX-UHFFFAOYSA-N 1 1 287.407 3.411 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H](C)SC)c1ccc(F)cc1O ZINC000286170340 380171609 /nfs/dbraw/zinc/17/16/09/380171609.db2.gz PTULTAOPXXQSDJ-SKDRFNHKSA-N 1 1 257.374 3.324 20 10 CGCDMO CCC[C@@H](CCO)C[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000286275230 380187941 /nfs/dbraw/zinc/18/79/41/380187941.db2.gz VNWRNSWIEAYTPS-SWLSCSKDSA-N 1 1 283.387 3.371 20 10 CGCDMO CCC[C@H](CCO)C[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000286275225 380188226 /nfs/dbraw/zinc/18/82/26/380188226.db2.gz VNWRNSWIEAYTPS-IUODEOHRSA-N 1 1 283.387 3.371 20 10 CGCDMO COCC[N@@H+](Cc1ccc(C)o1)Cc1cc(C)ccc1O ZINC000093707265 392239593 /nfs/dbraw/zinc/23/95/93/392239593.db2.gz FQQVVZJDXFZHER-UHFFFAOYSA-N 1 1 289.375 3.251 20 10 CGCDMO CCOC[C@@H]1CC[N@@H+](Cc2ccc(N(CC)CC)cc2)C1 ZINC000093839389 392240624 /nfs/dbraw/zinc/24/06/24/392240624.db2.gz FULDLUBOVHBZHO-QGZVFWFLSA-N 1 1 290.451 3.391 20 10 CGCDMO CCCOc1ccc(C[N@H+]2CC[C@H](COCC)C2)c(O)c1 ZINC000093839222 392240872 /nfs/dbraw/zinc/24/08/72/392240872.db2.gz HSUNYKZZOAZPNM-AWEZNQCLSA-N 1 1 293.407 3.039 20 10 CGCDMO CO[C@H](C)C[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000285034221 392317599 /nfs/dbraw/zinc/31/75/99/392317599.db2.gz GILBOHNXTAJGTH-GFCCVEGCSA-N 1 1 259.349 3.012 20 10 CGCDMO CCc1nc(NCc2c(C)c3ccccc3n2C)cc(C)[nH+]1 ZINC000343086018 393017875 /nfs/dbraw/zinc/01/78/75/393017875.db2.gz RQCCWBZMWCHSLZ-UHFFFAOYSA-N 1 1 294.402 3.182 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(F)cc1O ZINC000290029018 286923920 /nfs/dbraw/zinc/92/39/20/286923920.db2.gz CTFGCLAKVYNPIW-CABCVRRESA-N 1 1 281.371 3.123 20 10 CGCDMO CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)C1CCCC1 ZINC000037323383 173123836 /nfs/dbraw/zinc/12/38/36/173123836.db2.gz LQYJOYQOQVEPIF-UHFFFAOYSA-N 1 1 279.355 3.498 20 10 CGCDMO CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)C1CCCC1 ZINC000037323383 173123839 /nfs/dbraw/zinc/12/38/39/173123839.db2.gz LQYJOYQOQVEPIF-UHFFFAOYSA-N 1 1 279.355 3.498 20 10 CGCDMO CC[C@@H](C)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000154225860 261089293 /nfs/dbraw/zinc/08/92/93/261089293.db2.gz UQSWUMIXSSUBFW-OAHLLOKOSA-N 1 1 276.424 3.001 20 10 CGCDMO CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000185112195 262042083 /nfs/dbraw/zinc/04/20/83/262042083.db2.gz WAVAKRBVLNVCMD-QWHCGFSZSA-N 1 1 296.842 3.428 20 10 CGCDMO CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000185112195 262042084 /nfs/dbraw/zinc/04/20/84/262042084.db2.gz WAVAKRBVLNVCMD-QWHCGFSZSA-N 1 1 296.842 3.428 20 10 CGCDMO Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185501353 262056853 /nfs/dbraw/zinc/05/68/53/262056853.db2.gz NPPUOBAUXDUJSN-NXEZZACHSA-N 1 1 292.354 3.418 20 10 CGCDMO C[C@H](CO)[N@H+](Cc1cccc(Cl)c1[O-])CC1CCC1 ZINC000283832230 263084680 /nfs/dbraw/zinc/08/46/80/263084680.db2.gz CQYSYJWCRMRBIZ-LLVKDONJSA-N 1 1 283.799 3.029 20 10 CGCDMO C[N@H+](CCc1ccccn1)Cc1cc(Cl)c(F)cc1O ZINC000293610888 263144236 /nfs/dbraw/zinc/14/42/36/263144236.db2.gz LTEATICFSJZYBR-UHFFFAOYSA-N 1 1 294.757 3.254 20 10 CGCDMO C[N@@H+](CCc1ccccn1)Cc1cc(Cl)c(F)cc1O ZINC000293610888 263144237 /nfs/dbraw/zinc/14/42/37/263144237.db2.gz LTEATICFSJZYBR-UHFFFAOYSA-N 1 1 294.757 3.254 20 10 CGCDMO CCC[C@@](C)(O)C[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000285986975 328248701 /nfs/dbraw/zinc/24/87/01/328248701.db2.gz HXFILXQVDILEAX-UKRRQHHQSA-N 1 1 269.360 3.123 20 10 CGCDMO CC[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1ccc(F)cc1O ZINC000528004382 330300360 /nfs/dbraw/zinc/30/03/60/330300360.db2.gz FXXCSRZPUNJRHF-CXFMUKIQSA-N 1 1 281.371 3.384 20 10 CGCDMO CCCC[C@@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000291000930 521001506 /nfs/dbraw/zinc/00/15/06/521001506.db2.gz VZFQUPJEXSWAPJ-GFCCVEGCSA-N 1 1 281.396 3.420 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](CSC)C2)c1 ZINC000292874161 521143114 /nfs/dbraw/zinc/14/31/14/521143114.db2.gz WTTXNKMUDSLSNP-CYBMUJFWSA-N 1 1 295.448 3.366 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1 ZINC000292884149 521148605 /nfs/dbraw/zinc/14/86/05/521148605.db2.gz YBMFJVFPUAQRST-LSDHHAIUSA-N 1 1 297.345 3.268 20 10 CGCDMO CC[N@@H+](Cc1cc(OC)ccc1O)[C@@H](C)c1cccnc1 ZINC000290468386 521292665 /nfs/dbraw/zinc/29/26/65/521292665.db2.gz NIGAMKLQDAKBSJ-ZDUSSCGKSA-N 1 1 286.375 3.379 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1O ZINC000127479116 521341671 /nfs/dbraw/zinc/34/16/71/521341671.db2.gz XSIHMBRPTNCSAC-HNNXBMFYSA-N 1 1 286.375 3.456 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(C)cc1O ZINC000280011067 522857359 /nfs/dbraw/zinc/85/73/59/522857359.db2.gz GRTHFTUIVGWWEJ-WMLDXEAASA-N 1 1 288.435 3.226 20 10 CGCDMO CC[C@H](c1ccncc1)[N@@H+](C)Cc1cccc(OC)c1O ZINC000290400020 522965182 /nfs/dbraw/zinc/96/51/82/522965182.db2.gz JIBKUGABVVDFDU-OAHLLOKOSA-N 1 1 286.375 3.379 20 10 CGCDMO C[N@H+](Cc1c(O)ccc2ccccc21)C[C@@H]1CCCO1 ZINC000096810767 523158538 /nfs/dbraw/zinc/15/85/38/523158538.db2.gz POSZXQAJUOWQEP-AWEZNQCLSA-N 1 1 271.360 3.156 20 10 CGCDMO COc1ccc(N(C)CCCn2cc[nH+]c2C)cc1Cl ZINC000127403619 524351343 /nfs/dbraw/zinc/35/13/43/524351343.db2.gz OMLNCOGLZYMSKX-UHFFFAOYSA-N 1 1 293.798 3.380 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CCC1(F)F ZINC000289759936 524620335 /nfs/dbraw/zinc/62/03/35/524620335.db2.gz KPPXRVPJLPIUEG-LBPRGKRZSA-N 1 1 268.351 3.230 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)c1 ZINC000289945238 525344036 /nfs/dbraw/zinc/34/40/36/525344036.db2.gz YMRVTEIYQWWVKT-HOCLYGCPSA-N 1 1 277.408 3.216 20 10 CGCDMO C[C@@H]([NH2+]CCc1ccsc1)c1ccc(F)cc1O ZINC000062748198 525465154 /nfs/dbraw/zinc/46/51/54/525465154.db2.gz YMFDJENFZIIXEW-SNVBAGLBSA-N 1 1 265.353 3.486 20 10 CGCDMO CSC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000292527606 525649347 /nfs/dbraw/zinc/64/93/47/525649347.db2.gz WTMXEFHCGUBTKR-OAHLLOKOSA-N 1 1 278.465 3.328 20 10 CGCDMO CC(C)=CC[NH2+]Cc1cccc(Br)c1O ZINC000191631406 527442757 /nfs/dbraw/zinc/44/27/57/527442757.db2.gz HRKJBFIOUBFFMZ-UHFFFAOYSA-N 1 1 270.170 3.211 20 10 CGCDMO COC(=O)C[N@@H+](CCC(C)C)Cc1cc(Cl)ccc1O ZINC000731845228 572429159 /nfs/dbraw/zinc/42/91/59/572429159.db2.gz SGFLVLXCCJSJKL-UHFFFAOYSA-N 1 1 299.798 3.067 20 10 CGCDMO Oc1ccccc1C[N@@H+](CCn1cccn1)C1CCCC1 ZINC000732204529 572451715 /nfs/dbraw/zinc/45/17/15/572451715.db2.gz MHEKBZMTXLAUOS-UHFFFAOYSA-N 1 1 285.391 3.034 20 10 CGCDMO CC[C@]1(C)CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000743386124 572656605 /nfs/dbraw/zinc/65/66/05/572656605.db2.gz BNDYBJWLTDAZDP-MRXNPFEDSA-N 1 1 277.364 3.133 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCOC1)c1cc(Cl)c(Cl)cc1O ZINC000774269213 627970310 /nfs/dbraw/zinc/97/03/10/627970310.db2.gz JVTBDXSYKCJWBZ-HTQZYQBOSA-N 1 1 276.163 3.139 20 10 CGCDMO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccc(N(C)C)cc1 ZINC000093513454 618205010 /nfs/dbraw/zinc/20/50/10/618205010.db2.gz DTUSHTKYDGZMDX-RDJZCZTQSA-N 1 1 289.467 3.153 20 10 CGCDMO CCCC[N@@H+](CC)Cc1ccc(OC)c(OC)c1O ZINC000891457266 618226914 /nfs/dbraw/zinc/22/69/14/618226914.db2.gz QZTBCTRJYOUBAA-UHFFFAOYSA-N 1 1 267.369 3.031 20 10 CGCDMO COc1ccc(C[N@H+]2CCCC[C@@H]2C(C)C)c(O)c1OC ZINC000892052823 618505427 /nfs/dbraw/zinc/50/54/27/618505427.db2.gz QPAYOLOJJGGPBI-CQSZACIVSA-N 1 1 293.407 3.420 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)CC2CCCCC2)cc1OC ZINC000179436070 618784052 /nfs/dbraw/zinc/78/40/52/618784052.db2.gz PXJSOKCSZQDZRE-UHFFFAOYSA-N 1 1 293.407 3.422 20 10 CGCDMO Cn1cncc1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000177067086 618785649 /nfs/dbraw/zinc/78/56/49/618785649.db2.gz YHJVOSUQRJBIJY-UHFFFAOYSA-N 1 1 285.391 3.071 20 10 CGCDMO COCC[N@@H+](Cc1ccccc1)Cc1ccccc1O ZINC000179552992 618795684 /nfs/dbraw/zinc/79/56/84/618795684.db2.gz FMRBZXQXZLMQLE-UHFFFAOYSA-N 1 1 271.360 3.041 20 10 CGCDMO CCCN1CCC([N@H+](C)Cc2cc(C)ccc2O)CC1 ZINC000092165804 618872776 /nfs/dbraw/zinc/87/27/76/618872776.db2.gz VPKHIYJAQXUFIJ-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO CCCN1CCC([N@@H+](C)Cc2cc(C)ccc2O)CC1 ZINC000092165804 618872778 /nfs/dbraw/zinc/87/27/78/618872778.db2.gz VPKHIYJAQXUFIJ-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO CCCC[C@@H](C)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000311772061 618917591 /nfs/dbraw/zinc/91/75/91/618917591.db2.gz HMAQXUBLCCCNLP-LLVKDONJSA-N 1 1 265.353 3.131 20 10 CGCDMO CCC[C@]1(COC)CCC[N@H+]1Cc1cc(C)ccc1O ZINC000775205223 619010322 /nfs/dbraw/zinc/01/03/22/619010322.db2.gz REUWKBRPEOVJEF-QGZVFWFLSA-N 1 1 277.408 3.482 20 10 CGCDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000093500521 619202328 /nfs/dbraw/zinc/20/23/28/619202328.db2.gz GFMYWZMJYBOLPD-ZJUUUORDSA-N 1 1 271.813 3.371 20 10 CGCDMO CC(=O)c1cc(F)cc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c1O ZINC000314262715 619223498 /nfs/dbraw/zinc/22/34/98/619223498.db2.gz HTVKRYYHQNKDDD-CHWSQXEVSA-N 1 1 291.366 3.356 20 10 CGCDMO Cc1ccncc1C[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840941236 619232904 /nfs/dbraw/zinc/23/29/04/619232904.db2.gz SLDTZWUMWKISHY-UHFFFAOYSA-N 1 1 283.419 3.396 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCSC2(CCC2)CC1 ZINC000840954083 619257546 /nfs/dbraw/zinc/25/75/46/619257546.db2.gz CVTFAVBQOWYBCC-UHFFFAOYSA-N 1 1 293.432 3.262 20 10 CGCDMO COc1ccc(C[N@H+]2CCCC[C@H](C)C2)c(O)c1OC ZINC000893679666 619278033 /nfs/dbraw/zinc/27/80/33/619278033.db2.gz WLHBYLKVJYGTEM-LBPRGKRZSA-N 1 1 279.380 3.031 20 10 CGCDMO CSC[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894852397 619652088 /nfs/dbraw/zinc/65/20/88/619652088.db2.gz PPXFFXZMHGGCLQ-SNVBAGLBSA-N 1 1 287.375 3.245 20 10 CGCDMO CSC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894852397 619652093 /nfs/dbraw/zinc/65/20/93/619652093.db2.gz PPXFFXZMHGGCLQ-SNVBAGLBSA-N 1 1 287.375 3.245 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c1O ZINC000894904937 619679594 /nfs/dbraw/zinc/67/95/94/619679594.db2.gz BLOSSAGVEPIJKC-RDJZCZTQSA-N 1 1 287.403 3.330 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1 ZINC000164495739 619704738 /nfs/dbraw/zinc/70/47/38/619704738.db2.gz CLMPPNWQURMGDB-WMLDXEAASA-N 1 1 299.418 3.289 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1cccc3c1NCCC3)C2 ZINC000895450441 619831783 /nfs/dbraw/zinc/83/17/83/619831783.db2.gz YYSPWWXFXKNJCC-UHFFFAOYSA-N 1 1 280.371 3.266 20 10 CGCDMO COC(=O)c1ccc(C[N@H+]2Cc3cccc(O)c3C2)cc1C ZINC000895785143 619885404 /nfs/dbraw/zinc/88/54/04/619885404.db2.gz ORSWSGIEUQASIG-UHFFFAOYSA-N 1 1 297.354 3.003 20 10 CGCDMO CCC1([NH+]2CCC2)CCN(Cc2cccc(C)c2O)CC1 ZINC000895828018 619889749 /nfs/dbraw/zinc/88/97/49/619889749.db2.gz RNYQBZFZFHVIFT-UHFFFAOYSA-N 1 1 288.435 3.151 20 10 CGCDMO COC(C)(C)[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000896609139 620036971 /nfs/dbraw/zinc/03/69/71/620036971.db2.gz WUMNDAZDUUKKNT-MRVPVSSYSA-N 1 1 275.751 3.088 20 10 CGCDMO CC(C)[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2F)CS1 ZINC000896638639 620041346 /nfs/dbraw/zinc/04/13/46/620041346.db2.gz WZIRGFSRNBVHRT-QMTHXVAHSA-N 1 1 269.385 3.151 20 10 CGCDMO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2O)[nH]n1 ZINC000841752304 620377149 /nfs/dbraw/zinc/37/71/49/620377149.db2.gz SJUMCOKQHAKFRT-ONGXEEELSA-N 1 1 293.798 3.359 20 10 CGCDMO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2O)n[nH]1 ZINC000841752304 620377152 /nfs/dbraw/zinc/37/71/52/620377152.db2.gz SJUMCOKQHAKFRT-ONGXEEELSA-N 1 1 293.798 3.359 20 10 CGCDMO C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cc(Cl)c(Cl)cc1O ZINC000841757791 620404565 /nfs/dbraw/zinc/40/45/65/620404565.db2.gz APCSDUIDVMCALH-RBDZCENOSA-N 1 1 290.190 3.263 20 10 CGCDMO C[C@H](CCCCO)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841758761 620405531 /nfs/dbraw/zinc/40/55/31/620405531.db2.gz VGYLYXQBIRTONT-GHMZBOCLSA-N 1 1 271.788 3.247 20 10 CGCDMO Cc1ccc(C[NH2+]Cc2nc(C(C)(C)C)co2)c(O)c1 ZINC000897943205 620452983 /nfs/dbraw/zinc/45/29/83/620452983.db2.gz ZPIOLUMUPHHVEV-UHFFFAOYSA-N 1 1 274.364 3.276 20 10 CGCDMO Nc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(F)c1O ZINC000841058951 620548381 /nfs/dbraw/zinc/54/83/81/620548381.db2.gz XGTPBNOJZMXRIR-MRXNPFEDSA-N 1 1 286.350 3.281 20 10 CGCDMO C[C@@H]([NH2+]CC1(C2(O)CCC2)CC1)c1ccc(Cl)cc1O ZINC000903257605 621645524 /nfs/dbraw/zinc/64/55/24/621645524.db2.gz IHKXUWMAXNDQHD-LLVKDONJSA-N 1 1 295.810 3.391 20 10 CGCDMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1cncs1 ZINC000903311370 621683811 /nfs/dbraw/zinc/68/38/11/621683811.db2.gz OUMDDVLIZDHPII-IUCAKERBSA-N 1 1 266.341 3.400 20 10 CGCDMO Cc1cc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)no1 ZINC000044692502 622817821 /nfs/dbraw/zinc/81/78/21/622817821.db2.gz SWDVUCGSUNKBDG-UHFFFAOYSA-N 1 1 285.391 3.263 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H]2CSC)c1O ZINC000164526241 622836824 /nfs/dbraw/zinc/83/68/24/622836824.db2.gz JLJIYAKCHDINNN-CYBMUJFWSA-N 1 1 281.421 3.037 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C[C@@H]2CCCCO2)C2CC2)cc1 ZINC000917073912 624232754 /nfs/dbraw/zinc/23/27/54/624232754.db2.gz HOXXDDLKYTXHQW-SFHVURJKSA-N 1 1 288.435 3.286 20 10 CGCDMO CC[N@@H+](CCOC)Cc1cc(C(C)C)c(C)cc1O ZINC000921046137 624565032 /nfs/dbraw/zinc/56/50/32/624565032.db2.gz JRJSJRJPEXBVKM-UHFFFAOYSA-N 1 1 265.397 3.292 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2C(C)C)c1 ZINC000180276763 624732581 /nfs/dbraw/zinc/73/25/81/624732581.db2.gz UORCCDHWAILIRO-OAHLLOKOSA-N 1 1 263.381 3.411 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)c1 ZINC000180763180 624770949 /nfs/dbraw/zinc/77/09/49/624770949.db2.gz ZDTOCLVRQXSXHO-MAZHCROVSA-N 1 1 275.392 3.411 20 10 CGCDMO CN(C)c1ccc(CNc2[nH+]c3cc(F)ccc3n2C)cc1 ZINC000184255056 625216010 /nfs/dbraw/zinc/21/60/10/625216010.db2.gz WKUYDZHLKFADNU-UHFFFAOYSA-N 1 1 298.365 3.391 20 10 CGCDMO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)C[C@H](C)O1 ZINC000184683820 625262674 /nfs/dbraw/zinc/26/26/74/625262674.db2.gz BMAVKIBXYXVWOC-GXFFZTMASA-N 1 1 299.798 3.054 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2O)C[C@H](C)O1 ZINC000184683820 625262689 /nfs/dbraw/zinc/26/26/89/625262689.db2.gz BMAVKIBXYXVWOC-GXFFZTMASA-N 1 1 299.798 3.054 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@H]2C)c1O ZINC000184702067 626181672 /nfs/dbraw/zinc/18/16/72/626181672.db2.gz PCBPNONWJAXJQQ-VHSXEESVSA-N 1 1 269.772 3.285 20 10 CGCDMO CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1[O-] ZINC000840808755 626190023 /nfs/dbraw/zinc/19/00/23/626190023.db2.gz DTOAAMXSDQHGDB-XJKSGUPXSA-N 1 1 294.414 3.304 20 10 CGCDMO CC[C@H]([NH2+]Cc1cnc(C)o1)c1ccc(F)cc1O ZINC000840795172 626252520 /nfs/dbraw/zinc/25/25/20/626252520.db2.gz VIVRCCFAFKJMPH-ZDUSSCGKSA-N 1 1 264.300 3.069 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCCS1)c1c(O)cccc1F ZINC000886539326 626362213 /nfs/dbraw/zinc/36/22/13/626362213.db2.gz XYVRUSXEMUSNLU-VHSXEESVSA-N 1 1 255.358 3.078 20 10 CGCDMO CC(C)[N@H+]1CCCC[C@H]1CSc1nccs1 ZINC000752931288 626442166 /nfs/dbraw/zinc/44/21/66/626442166.db2.gz NNHSWUOEKGLATP-NSHDSACASA-N 1 1 256.440 3.498 20 10 CGCDMO C[C@@H]1C[C@@H]1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000754099164 626475614 /nfs/dbraw/zinc/47/56/14/626475614.db2.gz BTTIVVDXDSOQJX-BMFZPTHFSA-N 1 1 275.392 3.029 20 10 CGCDMO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(C)C2)c2c1c(F)ccc2O ZINC000756550566 626713994 /nfs/dbraw/zinc/71/39/94/626713994.db2.gz IYLPKEIKYHQCAZ-MBNYWOFBSA-N 1 1 292.398 3.011 20 10 CGCDMO C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)c2c1c(F)ccc2[O-] ZINC000756546872 626714207 /nfs/dbraw/zinc/71/42/07/626714207.db2.gz TZLJTFGEHAYXNZ-RISCZKNCSA-N 1 1 292.398 3.011 20 10 CGCDMO C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)c1ccc[nH]1 ZINC000756784461 626732176 /nfs/dbraw/zinc/73/21/76/626732176.db2.gz NLITVJYYRRXMJA-RKDXNWHRSA-N 1 1 266.291 3.410 20 10 CGCDMO C[N@@H+](Cc1nc2cc(F)ccc2o1)Cc1ccccc1O ZINC000756861177 626738274 /nfs/dbraw/zinc/73/82/74/626738274.db2.gz SEUPNMWVRQOZHG-UHFFFAOYSA-N 1 1 286.306 3.305 20 10 CGCDMO CCC[N@@H+](CCN1CCCCC1)Cc1cc(F)ccc1O ZINC000809704816 626814950 /nfs/dbraw/zinc/81/49/50/626814950.db2.gz HVARYHBHCQDSRS-UHFFFAOYSA-N 1 1 294.414 3.229 20 10 CGCDMO CCCN(CC[NH+]1CCCCC1)Cc1cc(F)ccc1O ZINC000809704816 626814952 /nfs/dbraw/zinc/81/49/52/626814952.db2.gz HVARYHBHCQDSRS-UHFFFAOYSA-N 1 1 294.414 3.229 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CC23CCCC3)c1 ZINC000760040389 626937396 /nfs/dbraw/zinc/93/73/96/626937396.db2.gz JWIWISKFOIYEGQ-NHYWBVRUSA-N 1 1 289.375 3.162 20 10 CGCDMO CCCC[N@@H+](CC)Cc1cc(OCC)ccc1O ZINC000768139151 627463054 /nfs/dbraw/zinc/46/30/54/627463054.db2.gz BXSZODRQNAUTPG-UHFFFAOYSA-N 1 1 251.370 3.413 20 10 CGCDMO CC[N@@H+](Cc1cccs1)Cc1c(O)cccc1OC ZINC000768197196 627468063 /nfs/dbraw/zinc/46/80/63/627468063.db2.gz IUKVMFHAPILDDB-UHFFFAOYSA-N 1 1 277.389 3.484 20 10 CGCDMO COc1cccc(O)c1C[N@H+](C)Cc1ccc(F)cc1F ZINC000768233021 627470147 /nfs/dbraw/zinc/47/01/47/627470147.db2.gz IOBJPRYNLBTMHE-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)Cc1ccc(F)cc1F ZINC000768233021 627470149 /nfs/dbraw/zinc/47/01/49/627470149.db2.gz IOBJPRYNLBTMHE-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)C[C@@H](C)O1 ZINC000768448625 627480558 /nfs/dbraw/zinc/48/05/58/627480558.db2.gz UFSSLPWJVFWLSH-CXAGYDPISA-N 1 1 289.419 3.270 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)c(O)cc1C ZINC000768465009 627481465 /nfs/dbraw/zinc/48/14/65/627481465.db2.gz JAJTUVAKTDWWJI-AAEUAGOBSA-N 1 1 263.381 3.187 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)Cc2ccoc2C)c(O)c1 ZINC000769055590 627520449 /nfs/dbraw/zinc/52/04/49/627520449.db2.gz CLADQSNBMANWCC-UHFFFAOYSA-N 1 1 275.348 3.324 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCN(C)c3ccccc3C2)cc1 ZINC000769320867 627541319 /nfs/dbraw/zinc/54/13/19/627541319.db2.gz ZAGMKAGHRWLHPU-UHFFFAOYSA-N 1 1 295.430 3.205 20 10 CGCDMO C[C@H]1SCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)[C@@H]1C ZINC000769446244 627552790 /nfs/dbraw/zinc/55/27/90/627552790.db2.gz LAZWJSBXBOLHCV-VXGBXAGGSA-N 1 1 282.428 3.218 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC(C)(C)OCC2(C)C)c1 ZINC000769444716 627552978 /nfs/dbraw/zinc/55/29/78/627552978.db2.gz CHIFZPBHWOHUEH-UHFFFAOYSA-N 1 1 263.381 3.090 20 10 CGCDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2c(O)cccc2OC)C1(C)C ZINC000769474119 627557886 /nfs/dbraw/zinc/55/78/86/627557886.db2.gz RTZIHBOSAKCTEC-HOTGVXAUSA-N 1 1 293.407 3.036 20 10 CGCDMO Cc1cccc(C[N@H+](C)Cc2cc(C)c(C)cc2O)n1 ZINC000769480357 627558586 /nfs/dbraw/zinc/55/85/86/627558586.db2.gz NGQAPFYNSSQRFH-UHFFFAOYSA-N 1 1 270.376 3.344 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000769518750 627562126 /nfs/dbraw/zinc/56/21/26/627562126.db2.gz BIGVBAOAGLVBMG-CYBMUJFWSA-N 1 1 295.810 3.294 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@](C)(CC)C2)c1 ZINC000769519089 627562320 /nfs/dbraw/zinc/56/23/20/627562320.db2.gz JWTNGMSMNOUOMK-INIZCTEOSA-N 1 1 263.381 3.413 20 10 CGCDMO CSC[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000769517869 627562586 /nfs/dbraw/zinc/56/25/86/627562586.db2.gz YPOFPFFGTRYUTN-ZDUSSCGKSA-N 1 1 282.428 3.219 20 10 CGCDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CCS1 ZINC000769547947 627564630 /nfs/dbraw/zinc/56/46/30/627564630.db2.gz FNVWRNXEPLIBMP-MRXNPFEDSA-N 1 1 278.465 3.326 20 10 CGCDMO CCN(Cc1ccc(N(C)C)cc1)c1[nH+]cnc2[nH]ccc21 ZINC000770473575 627620898 /nfs/dbraw/zinc/62/08/98/627620898.db2.gz WFARGHCYYYBKLU-UHFFFAOYSA-N 1 1 295.390 3.050 20 10 CGCDMO C[N@H+](Cc1cccc(O)c1)Cc1c(O)cccc1Cl ZINC000771934503 627746237 /nfs/dbraw/zinc/74/62/37/627746237.db2.gz ALMPDLULESYEND-UHFFFAOYSA-N 1 1 277.751 3.383 20 10 CGCDMO C[N@@H+](Cc1cccc(O)c1)Cc1c(O)cccc1Cl ZINC000771934503 627746241 /nfs/dbraw/zinc/74/62/41/627746241.db2.gz ALMPDLULESYEND-UHFFFAOYSA-N 1 1 277.751 3.383 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H]2CSC)cc1 ZINC000773765962 627913981 /nfs/dbraw/zinc/91/39/81/627913981.db2.gz PGCFYXNMWWWPMO-INIZCTEOSA-N 1 1 278.465 3.470 20 10 CGCDMO CCC(CC)(CC)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775014760 628054219 /nfs/dbraw/zinc/05/42/19/628054219.db2.gz NWGURLRYNQLVJZ-UHFFFAOYSA-N 1 1 296.367 3.367 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2C(C)(C)C)cc1OC ZINC000775678625 628124670 /nfs/dbraw/zinc/12/46/70/628124670.db2.gz HEBRQXXDRDGEHG-MRXNPFEDSA-N 1 1 293.407 3.420 20 10 CGCDMO Cc1cccc(C[N@H+](C)Cc2cccc(C)c2O)n1 ZINC000775715788 628128208 /nfs/dbraw/zinc/12/82/08/628128208.db2.gz KQBRETSPSIJMTQ-UHFFFAOYSA-N 1 1 256.349 3.036 20 10 CGCDMO CC[C@]1(C)COCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000775982004 628155669 /nfs/dbraw/zinc/15/56/69/628155669.db2.gz XDUAHLYGLODNQR-MRXNPFEDSA-N 1 1 263.381 3.010 20 10 CGCDMO C[N@@H+](CCNCc1c(O)cccc1Cl)C1CCCCC1 ZINC000776089482 628164482 /nfs/dbraw/zinc/16/44/82/628164482.db2.gz WEUJLHPELXHUGF-UHFFFAOYSA-N 1 1 296.842 3.400 20 10 CGCDMO CN(CC[NH2+]Cc1c(O)cccc1Cl)C1CCCCC1 ZINC000776089482 628164484 /nfs/dbraw/zinc/16/44/84/628164484.db2.gz WEUJLHPELXHUGF-UHFFFAOYSA-N 1 1 296.842 3.400 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)c1 ZINC000777969483 628316599 /nfs/dbraw/zinc/31/65/99/628316599.db2.gz SUPPSCFTFTWVSR-BXUZGUMPSA-N 1 1 251.345 3.189 20 10 CGCDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2cc(F)ccc2O)C1(C)C ZINC000779032537 628384810 /nfs/dbraw/zinc/38/48/10/628384810.db2.gz JVILBRPSSQGUIA-GDBMZVCRSA-N 1 1 281.371 3.167 20 10 CGCDMO CC[C@@H]1C[C@H](C[N@@H+](C)Cc2ccccc2O)CCO1 ZINC000780756084 628514818 /nfs/dbraw/zinc/51/48/18/628514818.db2.gz BHEXRVNCFNTFKZ-UKRRQHHQSA-N 1 1 263.381 3.029 20 10 CGCDMO C[C@H]([NH2+]CCCCO)c1cc(Cl)c(Cl)cc1O ZINC000786939184 628971666 /nfs/dbraw/zinc/97/16/66/628971666.db2.gz BRBVCJAHMUNCLC-QMMMGPOBSA-N 1 1 278.179 3.122 20 10 CGCDMO CO[C@@H](CC[NH2+][C@@H](C)c1ccc(F)cc1O)C(F)(F)F ZINC000786953564 628972194 /nfs/dbraw/zinc/97/21/94/628972194.db2.gz MCUWIFPJKOLDEC-UFBFGSQYSA-N 1 1 295.276 3.149 20 10 CGCDMO CO[C@H](C)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788754260 629078998 /nfs/dbraw/zinc/07/89/98/629078998.db2.gz AWBXVWYWRXUZFC-RKDXNWHRSA-N 1 1 277.286 3.097 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCC[C@H](C)O)cc1 ZINC000789306707 629122894 /nfs/dbraw/zinc/12/28/94/629122894.db2.gz RPMFFYIDSPDPDL-HNNXBMFYSA-N 1 1 278.440 3.126 20 10 CGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000789508833 629141581 /nfs/dbraw/zinc/14/15/81/629141581.db2.gz SDPGQDCRBGQTIO-WMZOPIPTSA-N 1 1 298.386 3.084 20 10 CGCDMO C[C@]1(CO)CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000789557057 629144961 /nfs/dbraw/zinc/14/49/61/629144961.db2.gz FGMFWZIJIJAEKY-LJQANCHMSA-N 1 1 297.398 3.406 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)cc1F ZINC000790930678 629241207 /nfs/dbraw/zinc/24/12/07/629241207.db2.gz GWMVBWMBCWMREM-INIZCTEOSA-N 1 1 294.414 3.139 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)cc1F ZINC000790930678 629241211 /nfs/dbraw/zinc/24/12/11/629241211.db2.gz GWMVBWMBCWMREM-INIZCTEOSA-N 1 1 294.414 3.139 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1CCCSC1 ZINC000790973604 629244691 /nfs/dbraw/zinc/24/46/91/629244691.db2.gz OOZAIIPKJIMDKD-QMMMGPOBSA-N 1 1 275.776 3.170 20 10 CGCDMO CN(C)c1cc(F)c(C[N@H+](C)C[C@H]2CCCCO2)cc1F ZINC000862231728 629327766 /nfs/dbraw/zinc/32/77/66/629327766.db2.gz KNTVGXDRJQTOQC-CYBMUJFWSA-N 1 1 298.377 3.032 20 10 CGCDMO CN(C)c1cc(F)c(C[N@@H+](C)C[C@H]2CCCCO2)cc1F ZINC000862231728 629327770 /nfs/dbraw/zinc/32/77/70/629327770.db2.gz KNTVGXDRJQTOQC-CYBMUJFWSA-N 1 1 298.377 3.032 20 10 CGCDMO CCn1ccc(C[N@@H+](C)Cc2cccc(C)c2O)c1 ZINC000792182338 629346079 /nfs/dbraw/zinc/34/60/79/629346079.db2.gz CLIOFZQAOKKIIW-UHFFFAOYSA-N 1 1 258.365 3.154 20 10 CGCDMO CC[C@@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)CCCO1 ZINC000862353964 629347338 /nfs/dbraw/zinc/34/73/38/629347338.db2.gz HBQDEOFBPJFVKZ-CYBMUJFWSA-N 1 1 298.377 3.032 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(F)c(N(C)C)cc2F)CCCO1 ZINC000862353964 629347340 /nfs/dbraw/zinc/34/73/40/629347340.db2.gz HBQDEOFBPJFVKZ-CYBMUJFWSA-N 1 1 298.377 3.032 20 10 CGCDMO COCC[N@@H+](Cc1cc(C)ccc1O)[C@@H]1CC[C@H](C)C1 ZINC000792193005 629347507 /nfs/dbraw/zinc/34/75/07/629347507.db2.gz PNNIQZQQIZNEML-GOEBONIOSA-N 1 1 277.408 3.338 20 10 CGCDMO CCCC[N@@H+](Cc1cnc(C)o1)Cc1ccccc1O ZINC000862356431 629349122 /nfs/dbraw/zinc/34/91/22/629349122.db2.gz XJWWZKCBOMHUGJ-UHFFFAOYSA-N 1 1 274.364 3.491 20 10 CGCDMO CC[N@@H+](Cc1cc(F)c(N(C)C)cc1F)[C@H]1CCCOC1 ZINC000862403225 629365009 /nfs/dbraw/zinc/36/50/09/629365009.db2.gz NENVPKAZJRPLTE-ZDUSSCGKSA-N 1 1 298.377 3.032 20 10 CGCDMO CO[C@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000793216556 629429559 /nfs/dbraw/zinc/42/95/59/629429559.db2.gz IMBXOGDKAAVOKB-OAHLLOKOSA-N 1 1 283.799 3.355 20 10 CGCDMO CC[N@H+](Cc1ccc(N(C)C)c(F)c1)CC1CC1 ZINC000125640549 634741956 /nfs/dbraw/zinc/74/19/56/634741956.db2.gz RPSQZRDCIXWIDY-UHFFFAOYSA-N 1 1 250.361 3.124 20 10 CGCDMO C[C@@H]1CSC[C@@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000796482028 629788644 /nfs/dbraw/zinc/78/86/44/629788644.db2.gz JXOLVIYQZRHKIH-XCBNKYQSSA-N 1 1 275.776 3.026 20 10 CGCDMO CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccc(F)cc1[O-] ZINC000796676158 629813958 /nfs/dbraw/zinc/81/39/58/629813958.db2.gz DPBMSVIHFJLHQB-HNNXBMFYSA-N 1 1 282.403 3.302 20 10 CGCDMO CC[C@H]([NH2+]Cc1cccc(C)n1)c1ccc(F)cc1O ZINC000796703872 629817638 /nfs/dbraw/zinc/81/76/38/629817638.db2.gz YUAXPSQEPVRNFF-HNNXBMFYSA-N 1 1 274.339 3.476 20 10 CGCDMO CC[C@@H](C)N(C)CC[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000796745953 629823925 /nfs/dbraw/zinc/82/39/25/629823925.db2.gz UJEGUIHKGXAGIN-DOMZBBRYSA-N 1 1 282.403 3.302 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CCCS1)c1ccc(F)cc1O ZINC000796792618 629835094 /nfs/dbraw/zinc/83/50/94/629835094.db2.gz JYQZVKAGZNXFSS-YPMHNXCESA-N 1 1 269.385 3.468 20 10 CGCDMO COc1cccc(CNc2ccc3c(c2)[nH+]cn3C)c1F ZINC000800248575 630255994 /nfs/dbraw/zinc/25/59/94/630255994.db2.gz SNGGLRQYBSWEHP-UHFFFAOYSA-N 1 1 285.322 3.333 20 10 CGCDMO CCCC[N@@H+](CCOCC(F)F)Cc1ccccc1O ZINC000801599434 630347720 /nfs/dbraw/zinc/34/77/20/630347720.db2.gz NRGNEBYYQNNTFG-UHFFFAOYSA-N 1 1 287.350 3.276 20 10 CGCDMO CC1(C)SC[C@@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000801735546 630354273 /nfs/dbraw/zinc/35/42/73/630354273.db2.gz KNMZCKOQRGXHDZ-JTQLQIEISA-N 1 1 275.776 3.168 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@](C)(F)C2)c1 ZINC000840101266 630593200 /nfs/dbraw/zinc/59/32/00/630593200.db2.gz RHYRHMAMYDAGCX-HNNXBMFYSA-N 1 1 251.345 3.333 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@H](C3CC3)C2)c(O)cc1C ZINC000808230569 630631388 /nfs/dbraw/zinc/63/13/88/630631388.db2.gz LBAVCXRRBXQGMH-AWEZNQCLSA-N 1 1 275.392 3.331 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+](CC2CCC2)[C@H](C)CO)c1O ZINC000809664370 630778231 /nfs/dbraw/zinc/77/82/31/630778231.db2.gz DXMSPRJTFWACHC-GFCCVEGCSA-N 1 1 297.826 3.337 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)[C@H](CC)CSC)c(O)c1 ZINC000809767014 630802209 /nfs/dbraw/zinc/80/22/09/630802209.db2.gz FDCUYYBWGGDDAJ-CYBMUJFWSA-N 1 1 283.437 3.364 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CC(C)(C)C[C@@H]2C)c1O ZINC000840184448 630802408 /nfs/dbraw/zinc/80/24/08/630802408.db2.gz RYPSYCAYQPTZCX-LBPRGKRZSA-N 1 1 263.381 3.330 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000810026970 630830141 /nfs/dbraw/zinc/83/01/41/630830141.db2.gz IHXYRTFNRVLWHS-IRXDYDNUSA-N 1 1 288.435 3.142 20 10 CGCDMO Cc1cc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)no1 ZINC000810219702 630855920 /nfs/dbraw/zinc/85/59/20/630855920.db2.gz VSNIWTSEMCKTBZ-CYBMUJFWSA-N 1 1 273.380 3.208 20 10 CGCDMO CCC[N@H+](CC)C[C@@H](C)N[C@H](C)c1cc(C)ccc1O ZINC000810262585 630862226 /nfs/dbraw/zinc/86/22/26/630862226.db2.gz SWXJDSHYOTWFKT-HUUCEWRRSA-N 1 1 278.440 3.472 20 10 CGCDMO CCC[N@@H+](CC)C[C@@H](C)N[C@H](C)c1cc(C)ccc1O ZINC000810262585 630862230 /nfs/dbraw/zinc/86/22/30/630862230.db2.gz SWXJDSHYOTWFKT-HUUCEWRRSA-N 1 1 278.440 3.472 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)cc1 ZINC000811513230 631080627 /nfs/dbraw/zinc/08/06/27/631080627.db2.gz DWUBGSQZDOXGEN-INIZCTEOSA-N 1 1 258.409 3.373 20 10 CGCDMO CC(C)[N@H+](Cc1c(O)ccc(Cl)c1F)[C@@H]1CCOC1 ZINC000812777218 631306725 /nfs/dbraw/zinc/30/67/25/631306725.db2.gz ZLKPINQPHDSNEZ-SNVBAGLBSA-N 1 1 287.762 3.184 20 10 CGCDMO CC(C)[N@@H+](Cc1c(O)ccc(Cl)c1F)[C@@H]1CCOC1 ZINC000812777218 631306729 /nfs/dbraw/zinc/30/67/29/631306729.db2.gz ZLKPINQPHDSNEZ-SNVBAGLBSA-N 1 1 287.762 3.184 20 10 CGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](C)CN(C)C)c1O ZINC000813877371 631475428 /nfs/dbraw/zinc/47/54/28/631475428.db2.gz UDHCNTHSPFGRTH-CMPLNLGQSA-N 1 1 284.831 3.202 20 10 CGCDMO COc1cccc(C[N@H+]2CC3(CCC3)[C@@H]2C(C)C)c1O ZINC000814171835 631536622 /nfs/dbraw/zinc/53/66/22/631536622.db2.gz VNPMZBWKUHXHLX-INIZCTEOSA-N 1 1 275.392 3.411 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000814178208 631538040 /nfs/dbraw/zinc/53/80/40/631538040.db2.gz HJNLMBRACCJSIW-ZDUSSCGKSA-N 1 1 295.810 3.294 20 10 CGCDMO Cc1cccc(C[N@H+]2Cc3ccccc3O[C@H](C)C2)c1O ZINC000814177770 631538529 /nfs/dbraw/zinc/53/85/29/631538529.db2.gz OKQQNEXLSIBSCQ-CQSZACIVSA-N 1 1 283.371 3.484 20 10 CGCDMO Cc1cc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)ccc1N(C)C ZINC000815100814 631718056 /nfs/dbraw/zinc/71/80/56/631718056.db2.gz XNOFKKSRZFFIPH-JCKWVBRZSA-N 1 1 290.451 3.042 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(F)cc1O ZINC000815642538 631810861 /nfs/dbraw/zinc/81/08/61/631810861.db2.gz FKRXBIMTCZSZRD-VHSXEESVSA-N 1 1 276.311 3.044 20 10 CGCDMO C[NH+](C)CC1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816485874 631992527 /nfs/dbraw/zinc/99/25/27/631992527.db2.gz DBZFNENATCZTSN-UHFFFAOYSA-N 1 1 298.430 3.319 20 10 CGCDMO C[N@@H+](Cc1ccc2ccccc2c1O)[C@H]1CCN(C2CC2)C1 ZINC000816504273 631996297 /nfs/dbraw/zinc/99/62/97/631996297.db2.gz GOQKFPGABFTPNG-KRWDZBQOSA-N 1 1 296.414 3.214 20 10 CGCDMO CN(Cc1ccc2ccccc2c1O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000816504273 631996301 /nfs/dbraw/zinc/99/63/01/631996301.db2.gz GOQKFPGABFTPNG-KRWDZBQOSA-N 1 1 296.414 3.214 20 10 CGCDMO CN(Cc1ccc2ccccc2c1O)[C@H]1CC[N@H+](C2CC2)C1 ZINC000816504273 631996313 /nfs/dbraw/zinc/99/63/13/631996313.db2.gz GOQKFPGABFTPNG-KRWDZBQOSA-N 1 1 296.414 3.214 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC(C)(C)[C@H]1C(C)C ZINC000816624688 632026937 /nfs/dbraw/zinc/02/69/37/632026937.db2.gz DGRKFQLAMTXJLQ-OAHLLOKOSA-N 1 1 263.381 3.267 20 10 CGCDMO Cc1cccc(C[N@H+](C)C2CC(OC(C)(C)C)C2)c1O ZINC000817415958 632146485 /nfs/dbraw/zinc/14/64/85/632146485.db2.gz CAEXQQKTOBUVQB-UHFFFAOYSA-N 1 1 277.408 3.479 20 10 CGCDMO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1 ZINC000817938071 632237299 /nfs/dbraw/zinc/23/72/99/632237299.db2.gz CUVGQCQCANHMHO-KBXCAEBGSA-N 1 1 283.419 3.103 20 10 CGCDMO CN(C)c1ccc([C@@H]([NH3+])CN[C@H]2CCc3ccccc32)cc1 ZINC000817938894 632238833 /nfs/dbraw/zinc/23/88/33/632238833.db2.gz VFBAKPXUFXFHIS-OALUTQOASA-N 1 1 295.430 3.030 20 10 CGCDMO CC[C@H]([NH2+]CC1CC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000817939690 632239377 /nfs/dbraw/zinc/23/93/77/632239377.db2.gz AREWHKJMIDELNN-AWEZNQCLSA-N 1 1 282.815 3.086 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CNCC[C@H]2C)c1O ZINC000817968031 632261931 /nfs/dbraw/zinc/26/19/31/632261931.db2.gz GHHLILGQETYSPG-OLUVUFQESA-N 1 1 282.815 3.003 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)CN)c1ccc(N2CCCCCC2)cc1 ZINC000817970366 632264847 /nfs/dbraw/zinc/26/48/47/632264847.db2.gz SJRGTCDUKDGFBR-LSDHHAIUSA-N 1 1 275.440 3.065 20 10 CGCDMO C[C@@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)[C@H](C)[NH3+] ZINC000817978112 632268879 /nfs/dbraw/zinc/26/88/79/632268879.db2.gz WETIXKIJQPTYIE-ZNMIVQPWSA-N 1 1 275.440 3.063 20 10 CGCDMO C[C@@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N(C)C)cc1 ZINC000817987154 632276148 /nfs/dbraw/zinc/27/61/48/632276148.db2.gz WTZFXDDKDTVAQT-GDBMZVCRSA-N 1 1 287.451 3.078 20 10 CGCDMO CCc1nc(N[C@H](C)c2ccccc2O)cc(C)[nH+]1 ZINC000866238087 633039848 /nfs/dbraw/zinc/03/98/48/633039848.db2.gz LYCOKQXDPPYLGS-LLVKDONJSA-N 1 1 257.337 3.226 20 10 CGCDMO C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cc(F)ccc1[O-] ZINC000866517789 633171080 /nfs/dbraw/zinc/17/10/80/633171080.db2.gz MUNRPRBJMUQRMI-MKQDKFQKSA-N 1 1 294.414 3.445 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC[C@@](C)(F)C2)c(O)c1 ZINC000824472888 633248633 /nfs/dbraw/zinc/24/86/33/633248633.db2.gz ZZIVSNVRYXBPQN-OAHLLOKOSA-N 1 1 267.344 3.115 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+]2CCC[C@](C)(F)C2)c1O ZINC000824471930 633248650 /nfs/dbraw/zinc/24/86/50/633248650.db2.gz JHJHUVMAYOEBJS-AWEZNQCLSA-N 1 1 287.762 3.378 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@](C)(F)C2)c1O ZINC000824471930 633248656 /nfs/dbraw/zinc/24/86/56/633248656.db2.gz JHJHUVMAYOEBJS-AWEZNQCLSA-N 1 1 287.762 3.378 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)CC2(O)CCCC2)cc1Cl ZINC000824829648 633297490 /nfs/dbraw/zinc/29/74/90/633297490.db2.gz JXASQFLAODTWFO-UHFFFAOYSA-N 1 1 283.799 3.091 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000876581961 634862158 /nfs/dbraw/zinc/86/21/58/634862158.db2.gz RWUWODRWXWFROD-UHFFFAOYSA-N 1 1 286.331 3.241 20 10 CGCDMO CCn1ccnc1[C@@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000825005345 633316643 /nfs/dbraw/zinc/31/66/43/633316643.db2.gz HXQGHKRGRBAXQH-SNVBAGLBSA-N 1 1 279.771 3.113 20 10 CGCDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2cccc(C)c2O)C12CCC2 ZINC000825104335 633329175 /nfs/dbraw/zinc/32/91/75/633329175.db2.gz UHMCHVYQKFAOOO-GJZGRUSLSA-N 1 1 275.392 3.090 20 10 CGCDMO Cc1nnc([C@@H](C)[NH2+]Cc2cc(Cl)c(C)cc2O)s1 ZINC000825515257 633361393 /nfs/dbraw/zinc/36/13/93/633361393.db2.gz ZOXIMTXRGHSPDH-MRVPVSSYSA-N 1 1 297.811 3.365 20 10 CGCDMO Cc1cc(O)c(C[NH+]2CC(C(F)F)C2)cc1Cl ZINC000826113923 633406098 /nfs/dbraw/zinc/40/60/98/633406098.db2.gz RAIOOZXENRJKIK-UHFFFAOYSA-N 1 1 261.699 3.051 20 10 CGCDMO C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccn1 ZINC000826802621 633433977 /nfs/dbraw/zinc/43/39/77/633433977.db2.gz IDSCTAHXQHLCOM-JTQLQIEISA-N 1 1 294.757 3.473 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000826877928 633439874 /nfs/dbraw/zinc/43/98/74/633439874.db2.gz OJLPFCXRKBKDHA-GOSISDBHSA-N 1 1 288.435 3.062 20 10 CGCDMO CCC(O)(CC)C(C)(C)C[NH2+]Cc1cccc(F)c1O ZINC000826903651 633442243 /nfs/dbraw/zinc/44/22/43/633442243.db2.gz SEGCYGXAQKATSD-UHFFFAOYSA-N 1 1 283.387 3.198 20 10 CGCDMO COCC[N@H+](CCF)Cc1ccc(N2CCCCC2)cc1 ZINC000827061276 633454027 /nfs/dbraw/zinc/45/40/27/633454027.db2.gz OHZCHJOUSOCLEV-UHFFFAOYSA-N 1 1 294.414 3.095 20 10 CGCDMO COCC[N@@H+](CCF)Cc1ccc(N2CCCCC2)cc1 ZINC000827061276 633454034 /nfs/dbraw/zinc/45/40/34/633454034.db2.gz OHZCHJOUSOCLEV-UHFFFAOYSA-N 1 1 294.414 3.095 20 10 CGCDMO C[C@@H]1CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000827371452 633485684 /nfs/dbraw/zinc/48/56/84/633485684.db2.gz VCTBRGULNUMXNZ-OKQSBHACSA-N 1 1 288.435 3.265 20 10 CGCDMO C[C@H]([NH2+]CCC1(CO)CCC1)c1ccc(Cl)cc1O ZINC000846210229 636159521 /nfs/dbraw/zinc/15/95/21/636159521.db2.gz LTLKZBSRYPERPA-NSHDSACASA-N 1 1 283.799 3.249 20 10 CGCDMO COC[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000832620709 634075506 /nfs/dbraw/zinc/07/55/06/634075506.db2.gz LIXHWCAIPXETPQ-MRXNPFEDSA-N 1 1 276.424 3.062 20 10 CGCDMO CCCOc1ccc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)cc1C ZINC000873126991 634251160 /nfs/dbraw/zinc/25/11/60/634251160.db2.gz GBXOWCIOYPXFMA-OAHLLOKOSA-N 1 1 299.418 3.154 20 10 CGCDMO CCc1nc(C[NH2+][C@H](C)c2ccc(C)cc2O)co1 ZINC000834897471 634274628 /nfs/dbraw/zinc/27/46/28/634274628.db2.gz GTWBYASJIPPKQR-LLVKDONJSA-N 1 1 260.337 3.102 20 10 CGCDMO CC[C@H]([NH2+]CCC[C@@H]1CCOC1)c1ccc(F)cc1O ZINC000834905098 634281493 /nfs/dbraw/zinc/28/14/93/634281493.db2.gz QVSMKBZCDKPCKG-DOMZBBRYSA-N 1 1 281.371 3.389 20 10 CGCDMO CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000873224260 634291900 /nfs/dbraw/zinc/29/19/00/634291900.db2.gz YQVKCIWIVDRARE-INIZCTEOSA-N 1 1 296.842 3.243 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCCSCC2)cc1 ZINC000835045361 634332720 /nfs/dbraw/zinc/33/27/20/634332720.db2.gz VILSWGITXLYWJO-HWKANZROSA-N 1 1 276.449 3.205 20 10 CGCDMO CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)C[C@H](C)OC ZINC000835055746 634339034 /nfs/dbraw/zinc/33/90/34/634339034.db2.gz OGQRHLFECVNODJ-KIUWMYQTSA-N 1 1 276.424 3.123 20 10 CGCDMO COCC(C)(C)[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835055774 634339086 /nfs/dbraw/zinc/33/90/86/634339086.db2.gz OLENEVFQGWJCRH-BQYQJAHWSA-N 1 1 276.424 3.123 20 10 CGCDMO CCC(C)(C)OCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000835085696 634349632 /nfs/dbraw/zinc/34/96/32/634349632.db2.gz YZBSDOHLLIQZIO-UHFFFAOYSA-N 1 1 289.778 3.480 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000877194658 635011876 /nfs/dbraw/zinc/01/18/76/635011876.db2.gz BKDFNOHMXZHGKJ-MRXNPFEDSA-N 1 1 282.387 3.160 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)c(O)c1 ZINC000877524409 635071857 /nfs/dbraw/zinc/07/18/57/635071857.db2.gz XHHMQVZBXJAXHV-INIZCTEOSA-N 1 1 268.360 3.433 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000840938891 635087269 /nfs/dbraw/zinc/08/72/69/635087269.db2.gz HRGSRUJKZFOBSD-UHFFFAOYSA-N 1 1 288.435 3.064 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000840941162 635087911 /nfs/dbraw/zinc/08/79/11/635087911.db2.gz POWLNVCIUQWSCD-KBXCAEBGSA-N 1 1 288.435 3.060 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000877603025 635107849 /nfs/dbraw/zinc/10/78/49/635107849.db2.gz CANUCXPBLFKODE-ZBFHGGJFSA-N 1 1 275.392 3.092 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000877604955 635108163 /nfs/dbraw/zinc/10/81/63/635108163.db2.gz SNWZNXTYUANEHG-HNNXBMFYSA-N 1 1 268.360 3.085 20 10 CGCDMO CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CC[NH2+][C@H](C)C1 ZINC000841020555 635108562 /nfs/dbraw/zinc/10/85/62/635108562.db2.gz YRLBCTOTXTVSHA-CVEARBPZSA-N 1 1 290.451 3.382 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CC[NH2+][C@H](C)C1 ZINC000841020555 635108564 /nfs/dbraw/zinc/10/85/64/635108564.db2.gz YRLBCTOTXTVSHA-CVEARBPZSA-N 1 1 290.451 3.382 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000877610894 635111450 /nfs/dbraw/zinc/11/14/50/635111450.db2.gz LPGMAJKPWOFFHP-AWEZNQCLSA-N 1 1 263.381 3.090 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)c1O ZINC000877672504 635140893 /nfs/dbraw/zinc/14/08/93/635140893.db2.gz GFFLXNOUFMTRFH-MSOLQXFVSA-N 1 1 297.398 3.399 20 10 CGCDMO Cc1ccc(CC[N@H+]2Cc3cccc(O)c3C2)cc1 ZINC000877703251 635154982 /nfs/dbraw/zinc/15/49/82/635154982.db2.gz YGLZEFROEKYPBG-UHFFFAOYSA-N 1 1 253.345 3.259 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000877704003 635155343 /nfs/dbraw/zinc/15/53/43/635155343.db2.gz VQGVFBKRKNYJRA-HZGVNTEJSA-N 1 1 283.652 3.225 20 10 CGCDMO Cc1ccc(C[N@@H+]2Cc3ccccc3NC(=O)[C@H]2C)c(O)c1 ZINC000877706634 635157518 /nfs/dbraw/zinc/15/75/18/635157518.db2.gz PFNQRWIEKQZDPW-CYBMUJFWSA-N 1 1 296.370 3.043 20 10 CGCDMO Cc1ccc(C[N@H+]2Cc3ccccc3NC(=O)[C@H]2C)c(O)c1 ZINC000877706634 635157526 /nfs/dbraw/zinc/15/75/26/635157526.db2.gz PFNQRWIEKQZDPW-CYBMUJFWSA-N 1 1 296.370 3.043 20 10 CGCDMO C[C@@H]([NH2+]CCc1cccnc1)c1ccc(Cl)cc1O ZINC000841744364 635221524 /nfs/dbraw/zinc/22/15/24/635221524.db2.gz HDPKOESLNAKKMH-LLVKDONJSA-N 1 1 276.767 3.334 20 10 CGCDMO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841743936 635221712 /nfs/dbraw/zinc/22/17/12/635221712.db2.gz DLWKSTNHGBJIAX-GHMZBOCLSA-N 1 1 298.814 3.001 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc(Cl)cc1O ZINC000841743843 635223026 /nfs/dbraw/zinc/22/30/26/635223026.db2.gz CIEUGSLXFWZFAH-GLQYFDAESA-N 1 1 294.826 3.323 20 10 CGCDMO C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc(Cl)cc1O ZINC000841748337 635224421 /nfs/dbraw/zinc/22/44/21/635224421.db2.gz KSXRHXDYPPIVFJ-SNVBAGLBSA-N 1 1 298.814 3.001 20 10 CGCDMO CS[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841751149 635225290 /nfs/dbraw/zinc/22/52/90/635225290.db2.gz LNVLEGMTOYEBMS-RKDXNWHRSA-N 1 1 259.802 3.448 20 10 CGCDMO CCc1nc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)co1 ZINC000841759305 635233514 /nfs/dbraw/zinc/23/35/14/635233514.db2.gz YJUPMSHDWGIIDO-VIFPVBQESA-N 1 1 280.755 3.447 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1C ZINC000842612573 635418188 /nfs/dbraw/zinc/41/81/88/635418188.db2.gz JVQIVKQHIDVVKM-DOTOQJQBSA-N 1 1 289.419 3.400 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@@H]1CCCC(C)(C)O1 ZINC000878241479 635428948 /nfs/dbraw/zinc/42/89/48/635428948.db2.gz GEZNGQIEQDHSDI-AWEZNQCLSA-N 1 1 263.381 3.172 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1cccc(C(F)(F)F)c1O ZINC000842926736 635513447 /nfs/dbraw/zinc/51/34/47/635513447.db2.gz BFSGBHUFTFUJNC-OPRDCNLKSA-N 1 1 289.297 3.239 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)CCOc2ccccc2F)c1 ZINC000121525138 635546603 /nfs/dbraw/zinc/54/66/03/635546603.db2.gz QHFLCOISLMNUDS-UHFFFAOYSA-N 1 1 289.350 3.351 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)CCC(C)(C)C ZINC000843425815 635669926 /nfs/dbraw/zinc/66/99/26/635669926.db2.gz WUQCMSVTQDNWFS-UHFFFAOYSA-N 1 1 251.370 3.269 20 10 CGCDMO C[C@H]1CC2(C[N@H+]1Cc1c(O)cccc1Cl)CCOCC2 ZINC000843431592 635673326 /nfs/dbraw/zinc/67/33/26/635673326.db2.gz INYCPXWVQCTIQE-LBPRGKRZSA-N 1 1 295.810 3.437 20 10 CGCDMO C[C@H]1SCC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000843434931 635676652 /nfs/dbraw/zinc/67/66/52/635676652.db2.gz OJGLSAODHRPJQL-RDDDGLTNSA-N 1 1 275.776 3.168 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H](OC(C)C)C2)cc1C ZINC000844717713 635956828 /nfs/dbraw/zinc/95/68/28/635956828.db2.gz AXJJVRDSKSHKQE-INIZCTEOSA-N 1 1 277.408 3.398 20 10 CGCDMO C[C@@H](COCC1CC1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000846073360 636141326 /nfs/dbraw/zinc/14/13/26/636141326.db2.gz LTTSDSZRJDGFJQ-VIFPVBQESA-N 1 1 287.762 3.089 20 10 CGCDMO Cc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)c(O)c1 ZINC000846178430 636153811 /nfs/dbraw/zinc/15/38/11/636153811.db2.gz VDMFILJFUMMZAY-OAHLLOKOSA-N 1 1 278.440 3.329 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+]2CCC(=O)CC23CCC3)cc1 ZINC000846997350 636304892 /nfs/dbraw/zinc/30/48/92/636304892.db2.gz MAYANCMWBNVLBM-UHFFFAOYSA-N 1 1 286.419 3.230 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC(=O)CC23CCC3)cc1 ZINC000846997350 636304898 /nfs/dbraw/zinc/30/48/98/636304898.db2.gz MAYANCMWBNVLBM-UHFFFAOYSA-N 1 1 286.419 3.230 20 10 CGCDMO C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882880315 636444824 /nfs/dbraw/zinc/44/48/24/636444824.db2.gz MEZKGZBMTNPNTJ-GFCCVEGCSA-N 1 1 298.377 3.025 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCCOC1CCCC1 ZINC000882944326 636471653 /nfs/dbraw/zinc/47/16/53/636471653.db2.gz CFGHWUYCCASBQI-UHFFFAOYSA-N 1 1 285.334 3.109 20 10 CGCDMO CC(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000883029167 636513175 /nfs/dbraw/zinc/51/31/75/636513175.db2.gz IMNPYGIYIHCZOB-MEDUHNTESA-N 1 1 299.361 3.211 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCCc1cccs1 ZINC000883081144 636532650 /nfs/dbraw/zinc/53/26/50/636532650.db2.gz UZZRGIPMPRIMNM-UHFFFAOYSA-N 1 1 283.343 3.454 20 10 CGCDMO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1c(O)cccc1Cl ZINC000131501719 636670094 /nfs/dbraw/zinc/67/00/94/636670094.db2.gz JNBRIRGVTBBWHP-QWRGUYRKSA-N 1 1 269.772 3.045 20 10 CGCDMO CCc1cccc(C[N@@H+](CC)CCc2ccccn2)c1O ZINC000848883695 636673013 /nfs/dbraw/zinc/67/30/13/636673013.db2.gz RAFWLOKZOSIBTI-UHFFFAOYSA-N 1 1 284.403 3.414 20 10 CGCDMO CCc1cccc(C[N@H+]2CCOC[C@H](C3CCC3)C2)c1O ZINC000848913503 636687398 /nfs/dbraw/zinc/68/73/98/636687398.db2.gz YUAKKIVANKQZOQ-QGZVFWFLSA-N 1 1 289.419 3.203 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC(C)(C)O1 ZINC000133102335 636872882 /nfs/dbraw/zinc/87/28/82/636872882.db2.gz VHVHKZBAHPSMGR-SNVBAGLBSA-N 1 1 269.772 3.045 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CC(C)(C)O1 ZINC000133102335 636872884 /nfs/dbraw/zinc/87/28/84/636872884.db2.gz VHVHKZBAHPSMGR-SNVBAGLBSA-N 1 1 269.772 3.045 20 10 CGCDMO COc1cccc(C[NH2+]CC(F)(F)C(C)(C)C)c1O ZINC000850409591 637053108 /nfs/dbraw/zinc/05/31/08/637053108.db2.gz CBXUNXYBAPLTKF-UHFFFAOYSA-N 1 1 273.323 3.172 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1ccc(F)cc1O ZINC000850482262 637085991 /nfs/dbraw/zinc/08/59/91/637085991.db2.gz RBPAQMFVEUBUHF-DZGCQCFKSA-N 1 1 294.414 3.445 20 10 CGCDMO C[C@H]([NH2+]CCCc1ccco1)c1ccc(F)cc1O ZINC000850569620 637127994 /nfs/dbraw/zinc/12/79/94/637127994.db2.gz KSPBUZPOUQNSKI-NSHDSACASA-N 1 1 263.312 3.408 20 10 CGCDMO C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccccc1 ZINC000850583225 637133182 /nfs/dbraw/zinc/13/31/82/637133182.db2.gz JQCQDAARIGMSLZ-JKDFXYPNSA-N 1 1 289.350 3.304 20 10 CGCDMO CC[C@@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)CCS1 ZINC000135835393 637190338 /nfs/dbraw/zinc/19/03/38/637190338.db2.gz ADCPILFIDFVIIP-CYBMUJFWSA-N 1 1 297.395 3.061 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)CCS1 ZINC000135835393 637190341 /nfs/dbraw/zinc/19/03/41/637190341.db2.gz ADCPILFIDFVIIP-CYBMUJFWSA-N 1 1 297.395 3.061 20 10 CGCDMO C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1c(O)cccc1F ZINC000886531220 637557013 /nfs/dbraw/zinc/55/70/13/637557013.db2.gz YCWXPYROKYYEIF-ZUZCIYMTSA-N 1 1 295.379 3.151 20 10 CGCDMO Cc1nc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c(C)o1 ZINC000851951183 637558440 /nfs/dbraw/zinc/55/84/40/637558440.db2.gz VSEHMYYNULSVHT-NSHDSACASA-N 1 1 273.380 3.208 20 10 CGCDMO CCC1(C[NH2+][C@@H](C)c2c(O)cccc2F)CCOCC1 ZINC000886534799 637560635 /nfs/dbraw/zinc/56/06/35/637560635.db2.gz OSDJNJADMVULOW-LBPRGKRZSA-N 1 1 281.371 3.389 20 10 CGCDMO CC[C@H](C)[C@H](C[NH2+][C@H](C)c1c(O)cccc1F)OC ZINC000886617481 637609106 /nfs/dbraw/zinc/60/91/06/637609106.db2.gz PIPUWRABLOCPLD-WDMOLILDSA-N 1 1 269.360 3.243 20 10 CGCDMO CC[C@H](C)[C@@H](C[NH2+][C@@H](C)c1c(O)cccc1F)OC ZINC000886617478 637609321 /nfs/dbraw/zinc/60/93/21/637609321.db2.gz PIPUWRABLOCPLD-COPLHBTASA-N 1 1 269.360 3.243 20 10 CGCDMO C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1c(O)cccc1F ZINC000886634382 637621828 /nfs/dbraw/zinc/62/18/28/637621828.db2.gz CORVPURZGKRLCH-NWDGAFQWSA-N 1 1 274.339 3.381 20 10 CGCDMO C[C@@H]([NH2+]CC1(O)CCC(C)CC1)c1c(O)cccc1F ZINC000886640129 637624627 /nfs/dbraw/zinc/62/46/27/637624627.db2.gz SHQAVIRSKNMJRJ-BWBHSNQOSA-N 1 1 281.371 3.123 20 10 CGCDMO Cc1cc(C[N@H+](C)Cc2c[nH]cn2)ccc1N1CCCCC1 ZINC000852288197 637627402 /nfs/dbraw/zinc/62/74/02/637627402.db2.gz LEPMWCLYOCYGFE-UHFFFAOYSA-N 1 1 298.434 3.340 20 10 CGCDMO Cc1cc(C[N@@H+](C)Cc2c[nH]cn2)ccc1N1CCCCC1 ZINC000852288197 637627404 /nfs/dbraw/zinc/62/74/04/637627404.db2.gz LEPMWCLYOCYGFE-UHFFFAOYSA-N 1 1 298.434 3.340 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1c(O)cccc1F ZINC000886651544 637631499 /nfs/dbraw/zinc/63/14/99/637631499.db2.gz JEZCPNFIMPTXDE-PEYYIBSZSA-N 1 1 279.355 3.284 20 10 CGCDMO Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000924900132 638423214 /nfs/dbraw/zinc/42/32/14/638423214.db2.gz JWJLNTFKTCRQAY-CQSZACIVSA-N 1 1 284.359 3.085 20 10 CGCDMO C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccns1 ZINC000858317759 638680645 /nfs/dbraw/zinc/68/06/45/638680645.db2.gz BFRWOSMCPGVVIW-SECBINFHSA-N 1 1 297.374 3.338 20 10 CGCDMO CC1CC(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000929184618 638906329 /nfs/dbraw/zinc/90/63/29/638906329.db2.gz GUUDOXVOHHOUOE-UHFFFAOYSA-N 1 1 288.435 3.001 20 10 CGCDMO CCCC[N@@H+](CC)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000158976414 640025661 /nfs/dbraw/zinc/02/56/61/640025661.db2.gz KDFVQKVRAQWUGZ-UHFFFAOYSA-N 1 1 294.414 3.284 20 10 CGCDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1O ZINC000189288080 640183945 /nfs/dbraw/zinc/18/39/45/640183945.db2.gz ZCOHEAQSUFUPLC-CYBMUJFWSA-N 1 1 266.344 3.457 20 10 CGCDMO COc1cc(C[N@H+]2CCS[C@@H](C)CC2)c(O)cc1C ZINC000191672243 640327101 /nfs/dbraw/zinc/32/71/01/640327101.db2.gz JJDYXXUTSAMHNZ-LBPRGKRZSA-N 1 1 281.421 3.037 20 10 CGCDMO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C)C2)cc1 ZINC000248215283 640748203 /nfs/dbraw/zinc/74/82/03/640748203.db2.gz ZNSAIRQVKJEYQE-JKSUJKDBSA-N 1 1 289.467 3.135 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C[C@@H](C)O)C(C)C)cc1 ZINC000093145538 640758947 /nfs/dbraw/zinc/75/89/47/640758947.db2.gz HPVAPEFLWLSYFJ-OAHLLOKOSA-N 1 1 278.440 3.124 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)cc1 ZINC000093645844 640778733 /nfs/dbraw/zinc/77/87/33/640778733.db2.gz FUITVGLTRSFSBR-GOSISDBHSA-N 1 1 288.435 3.144 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC(C)(C)C2)c1O ZINC000094267499 640793491 /nfs/dbraw/zinc/79/34/91/640793491.db2.gz LBLLZRBZHGZJDW-UHFFFAOYSA-N 1 1 281.783 3.480 20 10 CGCDMO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)CC1CC(O)C1 ZINC000276715474 641029243 /nfs/dbraw/zinc/02/92/43/641029243.db2.gz HESFLMGBSHGHBM-UHFFFAOYSA-N 1 1 297.398 3.262 20 10 CGCDMO CCCC[C@H](O)C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001252090086 805988809 /nfs/dbraw/zinc/98/88/09/805988809.db2.gz GZIGQIRYNSYWIQ-SFHVURJKSA-N 1 1 290.451 3.270 20 10 CGCDMO Cc1cccc(CNc2nc(N3CCCC3)c(C)c[nH+]2)c1O ZINC001160764130 806300033 /nfs/dbraw/zinc/30/00/33/806300033.db2.gz CHMNGXJSIBGRNM-UHFFFAOYSA-N 1 1 298.390 3.011 20 10 CGCDMO Cc1cc(C)c(CNc2nc(NC3CC3)c(C)c[nH+]2)c(O)c1 ZINC001160807784 806303919 /nfs/dbraw/zinc/30/39/19/806303919.db2.gz DGVPLIKVCXDWOK-UHFFFAOYSA-N 1 1 298.390 3.294 20 10 CGCDMO CCc1nc(NCc2c(C)cc(C)cc2O)cc(C)[nH+]1 ZINC001160811508 806306605 /nfs/dbraw/zinc/30/66/05/806306605.db2.gz PJKGUENRSDXVNS-UHFFFAOYSA-N 1 1 271.364 3.282 20 10 CGCDMO CCCC[C@@H](C)[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001255332181 806617735 /nfs/dbraw/zinc/61/77/35/806617735.db2.gz KNJDEOTTZRJBCE-GFCCVEGCSA-N 1 1 263.381 3.425 20 10 CGCDMO Oc1cc2c(cc1C[N@@H+](C1CC1)C1CCCC1)OCO2 ZINC000029539874 798845147 /nfs/dbraw/zinc/84/51/47/798845147.db2.gz HBHCWBOBXIJIMA-UHFFFAOYSA-N 1 1 275.348 3.028 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1O ZINC000087778605 798947644 /nfs/dbraw/zinc/94/76/44/798947644.db2.gz FPYGXRLBWWGRPP-WBMJQRKESA-N 1 1 291.366 3.498 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1O ZINC000087778605 798947645 /nfs/dbraw/zinc/94/76/45/798947645.db2.gz FPYGXRLBWWGRPP-WBMJQRKESA-N 1 1 291.366 3.498 20 10 CGCDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(N)cc1 ZINC000311661880 799225909 /nfs/dbraw/zinc/22/59/09/799225909.db2.gz XFCPOPKBQQCYKW-LBPRGKRZSA-N 1 1 272.314 3.432 20 10 CGCDMO CC[C@@H]1C[N@H+](Cc2cc(C)ccc2O)C[C@H](CC)O1 ZINC000398779715 799533203 /nfs/dbraw/zinc/53/32/03/799533203.db2.gz LPRCRFDUKZVVCE-GASCZTMLSA-N 1 1 263.381 3.090 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@H](OC)CC[C@H]2C)c1O ZINC000687207172 799736841 /nfs/dbraw/zinc/73/68/41/799736841.db2.gz GEIOILOXJQAYFI-ZWNOBZJWSA-N 1 1 299.798 3.054 20 10 CGCDMO CC[N@@H+](CCC(F)(F)F)Cc1cc(F)ccc1O ZINC000688501893 799748466 /nfs/dbraw/zinc/74/84/66/799748466.db2.gz TXWXFQCBYXUGAQ-UHFFFAOYSA-N 1 1 265.250 3.306 20 10 CGCDMO CC(C)C[N@@H+](C)Cc1ccc(Br)cc1O ZINC000691733273 799786216 /nfs/dbraw/zinc/78/62/16/799786216.db2.gz JECJCSFYMGWYEF-UHFFFAOYSA-N 1 1 272.186 3.243 20 10 CGCDMO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)c1ccccn1 ZINC000692696330 799796825 /nfs/dbraw/zinc/79/68/25/799796825.db2.gz OXHHRVRVCDOVMM-RYUDHWBXSA-N 1 1 274.339 3.381 20 10 CGCDMO CO[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1O)C1CCCC1 ZINC000692985048 799805729 /nfs/dbraw/zinc/80/57/29/799805729.db2.gz ZMJFTFZDRMYXJS-BZNIZROVSA-N 1 1 281.371 3.387 20 10 CGCDMO C[C@H]([NH2+]CCSCC(F)(F)F)c1ccc(F)cc1O ZINC000698951619 799857909 /nfs/dbraw/zinc/85/79/09/799857909.db2.gz DKFOINMJSXLKRB-QMMMGPOBSA-N 1 1 297.317 3.477 20 10 CGCDMO CSCCCCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708466956 799987818 /nfs/dbraw/zinc/98/78/18/799987818.db2.gz VVMGWULBQACYQB-UHFFFAOYSA-N 1 1 275.364 3.293 20 10 CGCDMO CCC(O)(CC)C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001118942712 802619680 /nfs/dbraw/zinc/61/96/80/802619680.db2.gz UIBNNIFYACACCT-UHFFFAOYSA-N 1 1 290.451 3.270 20 10 CGCDMO Nc1ccc(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)cc1 ZINC001120268412 802737675 /nfs/dbraw/zinc/73/76/75/802737675.db2.gz DMEASZFZKZGPLN-IBGZPJMESA-N 1 1 296.414 3.102 20 10 CGCDMO Cc1cc(F)c(C[NH2+]Cc2cccc(F)c2O)c(F)c1 ZINC001183958150 810171631 /nfs/dbraw/zinc/17/16/31/810171631.db2.gz GUCJNAGFTSTCEG-UHFFFAOYSA-N 1 1 281.277 3.408 20 10 CGCDMO CCOc1cccc(C[N@H+](C)CC(=O)c2ccccc2)c1O ZINC001203614658 812407286 /nfs/dbraw/zinc/40/72/86/812407286.db2.gz DGOUMDIUBMQVBQ-UHFFFAOYSA-N 1 1 299.370 3.106 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)CC(=O)c2ccccc2)c1O ZINC001203614658 812407293 /nfs/dbraw/zinc/40/72/93/812407293.db2.gz DGOUMDIUBMQVBQ-UHFFFAOYSA-N 1 1 299.370 3.106 20 10 CGCDMO Cc1cc(C[N@@H+](C)C2(C)COC2)c(C)n1-c1ccccc1 ZINC001137859279 803787734 /nfs/dbraw/zinc/78/77/34/803787734.db2.gz RENHBHNVXPRXAZ-UHFFFAOYSA-N 1 1 284.403 3.315 20 10 CGCDMO Cc1cc(C[N@H+](C)C2(C)COC2)c(C)n1-c1ccccc1 ZINC001137859279 803787741 /nfs/dbraw/zinc/78/77/41/803787741.db2.gz RENHBHNVXPRXAZ-UHFFFAOYSA-N 1 1 284.403 3.315 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCc3cccc(O)c3C2)c1 ZINC001138100933 803855681 /nfs/dbraw/zinc/85/56/81/803855681.db2.gz AHHJQSYJRBRXMC-UHFFFAOYSA-N 1 1 283.371 3.349 20 10 CGCDMO O=C1CCC2(CC1)CC[NH+](Cc1cccc(F)c1O)CC2 ZINC001138129662 803864639 /nfs/dbraw/zinc/86/46/39/803864639.db2.gz PXONVZIBMBMWBP-UHFFFAOYSA-N 1 1 291.366 3.257 20 10 CGCDMO CCC[N@@H+](CCOC)Cc1c(C)n(C)c2ccccc21 ZINC001138252657 803882512 /nfs/dbraw/zinc/88/25/12/803882512.db2.gz OXYJPIWROOICIA-UHFFFAOYSA-N 1 1 274.408 3.345 20 10 CGCDMO CC(C)O[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138356092 803901118 /nfs/dbraw/zinc/90/11/18/803901118.db2.gz HHTZSBOMXAMKQV-KRWDZBQOSA-N 1 1 288.435 3.068 20 10 CGCDMO CCC[N@@H+](C)Cc1ccc(N(CC)CC)cc1OC ZINC001138387385 803912636 /nfs/dbraw/zinc/91/26/36/803912636.db2.gz DJPKEGRAYLUDHZ-UHFFFAOYSA-N 1 1 264.413 3.383 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H](C)C1 ZINC001138498922 803953924 /nfs/dbraw/zinc/95/39/24/803953924.db2.gz MXMMBFKBLDODAJ-CVEARBPZSA-N 1 1 288.435 3.144 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)Cc1cccc2ccnn21 ZINC001138808274 804045836 /nfs/dbraw/zinc/04/58/36/804045836.db2.gz PAWSLPSOEHHGRF-UHFFFAOYSA-N 1 1 281.359 3.062 20 10 CGCDMO Cc1cc(C[N@@H+](C)Cc2ccncc2)ccc1N(C)C ZINC001139669633 804245634 /nfs/dbraw/zinc/24/56/34/804245634.db2.gz FEDMTYRUHAERCH-UHFFFAOYSA-N 1 1 269.392 3.088 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)ccc1N(C)C ZINC001139671752 804248095 /nfs/dbraw/zinc/24/80/95/804248095.db2.gz ZHCSILIJDSYIDI-FUHWJXTLSA-N 1 1 288.435 3.062 20 10 CGCDMO Cc1cc(C[N@@H+]2CC[C@H](OC(C)C)C2)ccc1N(C)C ZINC001139674392 804248447 /nfs/dbraw/zinc/24/84/47/804248447.db2.gz XXVCFJRALAXDGD-INIZCTEOSA-N 1 1 276.424 3.060 20 10 CGCDMO CCCC[C@H]1C[C@H](NCc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC001246309376 804271677 /nfs/dbraw/zinc/27/16/77/804271677.db2.gz KJWYHQXHLUGYPV-DLBZAZTESA-N 1 1 289.467 3.153 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@H](F)CC1 ZINC001140337741 804417430 /nfs/dbraw/zinc/41/74/30/804417430.db2.gz BYKWGCPDBKUACN-JTQLQIEISA-N 1 1 257.736 3.370 20 10 CGCDMO CO[C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(O)cccc3Cl)C[C@@H]21 ZINC001140345550 804420823 /nfs/dbraw/zinc/42/08/23/804420823.db2.gz WFNCUXOSZNKASL-BFQNTYOBSA-N 1 1 295.810 3.293 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCC2(CCC2)C1 ZINC001140464724 804442273 /nfs/dbraw/zinc/44/22/73/804442273.db2.gz BBWZOCKEZRKTAN-UHFFFAOYSA-N 1 1 251.757 3.422 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001140623643 804476316 /nfs/dbraw/zinc/47/63/16/804476316.db2.gz NFOCTCOPZMENFU-UHFFFAOYSA-N 1 1 299.370 3.060 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](C)Cc2cnc(Cl)s2)c1 ZINC001140617460 804477028 /nfs/dbraw/zinc/47/70/28/804477028.db2.gz PKEIMWWIUDALCX-UHFFFAOYSA-N 1 1 282.796 3.443 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)Cc2cnc(Cl)s2)c1 ZINC001140617460 804477032 /nfs/dbraw/zinc/47/70/32/804477032.db2.gz PKEIMWWIUDALCX-UHFFFAOYSA-N 1 1 282.796 3.443 20 10 CGCDMO Cc1c(O)ccc(C[N@@H+](C)Cc2ccccc2)c1O ZINC001140741770 804503267 /nfs/dbraw/zinc/50/32/67/804503267.db2.gz BWTWXLXRVJRLEZ-UHFFFAOYSA-N 1 1 257.333 3.038 20 10 CGCDMO Cc1cccc(C[N@H+](C)Cc2ccc(O)c(C)c2O)c1 ZINC001140742040 804503304 /nfs/dbraw/zinc/50/33/04/804503304.db2.gz IBFQHHXFGNJISI-UHFFFAOYSA-N 1 1 271.360 3.347 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2ccc(O)c(C)c2O)c1 ZINC001140745989 804503725 /nfs/dbraw/zinc/50/37/25/804503725.db2.gz RPVVFCKADBTYNS-UHFFFAOYSA-N 1 1 287.359 3.047 20 10 CGCDMO Cc1c(O)ccc(C[N@@H+](C)CCc2ccc(F)cc2)c1O ZINC001140749034 804504920 /nfs/dbraw/zinc/50/49/20/804504920.db2.gz PIXBUDAQXNSWSW-UHFFFAOYSA-N 1 1 289.350 3.220 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCn3cccc3C2)c(O)c1 ZINC001140855042 804533050 /nfs/dbraw/zinc/53/30/50/804533050.db2.gz LMQBSYSGFIYRMN-UHFFFAOYSA-N 1 1 299.418 3.056 20 10 CGCDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1Cl ZINC001140922087 804549220 /nfs/dbraw/zinc/54/92/20/804549220.db2.gz HAPCARLDCFXQFC-HNNXBMFYSA-N 1 1 296.842 3.407 20 10 CGCDMO C[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1Cl ZINC001140921357 804549252 /nfs/dbraw/zinc/54/92/52/804549252.db2.gz BXUHMNXNDLQWGN-NSHDSACASA-N 1 1 252.789 3.390 20 10 CGCDMO CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140924634 804550158 /nfs/dbraw/zinc/55/01/58/804550158.db2.gz JUUIDBVBOHCUII-OAHLLOKOSA-N 1 1 296.842 3.405 20 10 CGCDMO Cc1ccc(C[N@@H+](C)Cc2nc3ccccc3o2)c(O)c1 ZINC001140950816 804557914 /nfs/dbraw/zinc/55/79/14/804557914.db2.gz JSMHUUZBLOGMIH-UHFFFAOYSA-N 1 1 282.343 3.474 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246860489 804565854 /nfs/dbraw/zinc/56/58/54/804565854.db2.gz IERTWQROUUAUMX-RDJZCZTQSA-N 1 1 290.451 3.381 20 10 CGCDMO CC[N@H+](Cc1ccccc1[O-])[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246860489 804565862 /nfs/dbraw/zinc/56/58/62/804565862.db2.gz IERTWQROUUAUMX-RDJZCZTQSA-N 1 1 290.451 3.381 20 10 CGCDMO CC[N@@H+](Cc1ccccc1[O-])[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246860489 804565867 /nfs/dbraw/zinc/56/58/67/804565867.db2.gz IERTWQROUUAUMX-RDJZCZTQSA-N 1 1 290.451 3.381 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](C)[C@@H]2C)c(OC)c1 ZINC001141028205 804575608 /nfs/dbraw/zinc/57/56/08/804575608.db2.gz FUWZJNUALPNFFK-RYUDHWBXSA-N 1 1 279.380 3.030 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCCC[C@@](C)(F)C2)c(OC)c1 ZINC001141032005 804575773 /nfs/dbraw/zinc/57/57/73/804575773.db2.gz PUOSFAAFYFEXKI-MRXNPFEDSA-N 1 1 297.370 3.124 20 10 CGCDMO C[C@@H]1CCCCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142520459 804730297 /nfs/dbraw/zinc/73/02/97/804730297.db2.gz JXSVTAFKYMGIQD-SNVBAGLBSA-N 1 1 255.308 3.435 20 10 CGCDMO C[C@@H]1CCCCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142520459 804730302 /nfs/dbraw/zinc/73/03/02/804730302.db2.gz JXSVTAFKYMGIQD-SNVBAGLBSA-N 1 1 255.308 3.435 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001142524639 804731903 /nfs/dbraw/zinc/73/19/03/804731903.db2.gz FFTKVMIGZIABHC-MRVPVSSYSA-N 1 1 277.261 3.148 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001142524639 804731907 /nfs/dbraw/zinc/73/19/07/804731907.db2.gz FFTKVMIGZIABHC-MRVPVSSYSA-N 1 1 277.261 3.148 20 10 CGCDMO [O-]c1cc(F)c(F)cc1C[N@H+]1CCCC2(CCC2)C1 ZINC001142530309 804733351 /nfs/dbraw/zinc/73/33/51/804733351.db2.gz CMHYAJCLSKOHSA-UHFFFAOYSA-N 1 1 267.319 3.437 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCCC2(CCC2)C1 ZINC001142530309 804733354 /nfs/dbraw/zinc/73/33/54/804733354.db2.gz CMHYAJCLSKOHSA-UHFFFAOYSA-N 1 1 267.319 3.437 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCCC2(CCC2)C1 ZINC001142530309 804733357 /nfs/dbraw/zinc/73/33/57/804733357.db2.gz CMHYAJCLSKOHSA-UHFFFAOYSA-N 1 1 267.319 3.437 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c1O ZINC001143112504 804804424 /nfs/dbraw/zinc/80/44/24/804804424.db2.gz UGBYXYKALIUZQR-GJZGRUSLSA-N 1 1 289.419 3.158 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CCC[C@@H](c3ccccc3)C2)c(O)c1 ZINC001144509278 804997887 /nfs/dbraw/zinc/99/78/87/804997887.db2.gz RNPPRLBGJQAUQD-CQSZACIVSA-N 1 1 299.370 3.183 20 10 CGCDMO Cc1cc(C(F)(F)F)cc(NCc2ccc(O)c(O)c2)[nH+]1 ZINC001169993468 807735320 /nfs/dbraw/zinc/73/53/20/807735320.db2.gz PZNBCOHJUYEPHL-UHFFFAOYSA-N 1 1 298.264 3.432 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC001261677659 807778281 /nfs/dbraw/zinc/77/82/81/807778281.db2.gz YENHJEVMYIVAIX-ZDUSSCGKSA-N 1 1 296.842 3.176 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC001261677659 807778283 /nfs/dbraw/zinc/77/82/83/807778283.db2.gz YENHJEVMYIVAIX-ZDUSSCGKSA-N 1 1 296.842 3.176 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC001261677658 807778558 /nfs/dbraw/zinc/77/85/58/807778558.db2.gz YENHJEVMYIVAIX-CYBMUJFWSA-N 1 1 296.842 3.176 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC001261677658 807778560 /nfs/dbraw/zinc/77/85/60/807778560.db2.gz YENHJEVMYIVAIX-CYBMUJFWSA-N 1 1 296.842 3.176 20 10 CGCDMO COc1ccc(C[NH2+]Cc2c(F)cccc2OC)cc1C ZINC001262366940 807858260 /nfs/dbraw/zinc/85/82/60/807858260.db2.gz BPBMXLZUABLRGG-UHFFFAOYSA-N 1 1 289.350 3.441 20 10 CGCDMO CC[C@H](C)OCC[C@H](C)[N@H+]1CCc2cccc(O)c2C1 ZINC001172345056 808244543 /nfs/dbraw/zinc/24/45/43/808244543.db2.gz DNXZTSIRPUZEQW-KBPBESRZSA-N 1 1 277.408 3.344 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCCC3(CN(C)C3)C2)c(O)c1 ZINC001276815780 809034355 /nfs/dbraw/zinc/03/43/55/809034355.db2.gz ZTZUALAQODWELZ-UHFFFAOYSA-N 1 1 288.435 3.043 20 10 CGCDMO CCOc1ccc(N2CCC3(CCC[N@@H+](C)C3)CC2)cc1 ZINC001276926126 809046062 /nfs/dbraw/zinc/04/60/62/809046062.db2.gz OAWBWZNVWHKDQD-UHFFFAOYSA-N 1 1 288.435 3.398 20 10 CGCDMO C[C@H]1C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CC(C)(C)O1 ZINC001180039095 809968865 /nfs/dbraw/zinc/96/88/65/809968865.db2.gz LHKHVBGYPRNPRB-XHPSBEMXSA-N 1 1 288.435 3.265 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CC[C@@H](c3ccco3)C2)c(O)c1 ZINC001180267104 809986666 /nfs/dbraw/zinc/98/66/66/809986666.db2.gz OGMMWDWLCGCOHS-CYBMUJFWSA-N 1 1 287.359 3.292 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)c(Cl)c1 ZINC001180332816 809994462 /nfs/dbraw/zinc/99/44/62/809994462.db2.gz UPZDKKZEXCVMGM-IUODEOHRSA-N 1 1 297.826 3.337 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC001180963363 810029557 /nfs/dbraw/zinc/02/95/57/810029557.db2.gz YDOFLAGYDQTCSP-MRXNPFEDSA-N 1 1 297.345 3.061 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)C[C@@H](C2CC2)O1 ZINC001181373936 810049039 /nfs/dbraw/zinc/04/90/39/810049039.db2.gz UUGUGVHLVIILAC-BMIGLBTASA-N 1 1 281.783 3.045 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2O)C[C@@H](C2CC2)O1 ZINC001181373936 810049042 /nfs/dbraw/zinc/04/90/42/810049042.db2.gz UUGUGVHLVIILAC-BMIGLBTASA-N 1 1 281.783 3.045 20 10 CGCDMO Cn1c[nH+]c2cc(NCc3c(F)cccc3F)ccc21 ZINC001201114820 811787928 /nfs/dbraw/zinc/78/79/28/811787928.db2.gz MMOIBEFOUMPQHG-UHFFFAOYSA-N 1 1 273.286 3.464 20 10 CGCDMO Oc1cccc2c1C[N@@H+](CCCC(F)(F)F)CC2 ZINC001202433470 812092672 /nfs/dbraw/zinc/09/26/72/812092672.db2.gz OSNUYUZCNJHZFX-UHFFFAOYSA-N 1 1 259.271 3.093 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC001202902047 812197454 /nfs/dbraw/zinc/19/74/54/812197454.db2.gz IXEZBZQYDZHZFL-JOYOIKCWSA-N 1 1 269.747 3.463 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1ccccc1F)CC2 ZINC001203357087 812322028 /nfs/dbraw/zinc/32/20/28/812322028.db2.gz FLBNIGRXMQNASS-UHFFFAOYSA-N 1 1 257.308 3.090 20 10 CGCDMO Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC001203555874 812390668 /nfs/dbraw/zinc/39/06/68/812390668.db2.gz ICSFFMIWGBVMMY-MRXNPFEDSA-N 1 1 283.371 3.354 20 10 CGCDMO CCCC[N@@H+](CCC)Cc1cccc(OC)c1O ZINC001203593770 812403837 /nfs/dbraw/zinc/40/38/37/812403837.db2.gz QFVHKEKBCDWNRU-UHFFFAOYSA-N 1 1 251.370 3.413 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)C2CC(F)(F)C2)c1O ZINC001203602150 812405076 /nfs/dbraw/zinc/40/50/76/812405076.db2.gz DTOPIOJOMRZDSP-UHFFFAOYSA-N 1 1 271.307 3.020 20 10 CGCDMO CCC[N@H+](Cc1cc(Cl)ccc1O)C1CCOCC1 ZINC001203664768 812422337 /nfs/dbraw/zinc/42/23/37/812422337.db2.gz VSDSPHMNLAALJI-UHFFFAOYSA-N 1 1 283.799 3.437 20 10 CGCDMO CCC[N@@H+](Cc1cc(Cl)ccc1O)C1CCOCC1 ZINC001203664768 812422340 /nfs/dbraw/zinc/42/23/40/812422340.db2.gz VSDSPHMNLAALJI-UHFFFAOYSA-N 1 1 283.799 3.437 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](C)[C@@H](C)C2)c1 ZINC001203669881 812426025 /nfs/dbraw/zinc/42/60/25/812426025.db2.gz GRNPGUFBWCTYSM-OLZOCXBDSA-N 1 1 263.381 3.269 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC001203671150 812426238 /nfs/dbraw/zinc/42/62/38/812426238.db2.gz KTHNORJNZMUNGG-STQMWFEESA-N 1 1 261.365 3.023 20 10 CGCDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccc(O)c(O)c3)C2)cc1 ZINC001203880544 812477854 /nfs/dbraw/zinc/47/78/54/812477854.db2.gz VJPHBZVCVSVBGI-HNNXBMFYSA-N 1 1 299.370 3.096 20 10 CGCDMO Oc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)cc1O ZINC001203882641 812479581 /nfs/dbraw/zinc/47/95/81/812479581.db2.gz OTNXNUSZQQPFPK-ZIAGYGMSSA-N 1 1 261.365 3.252 20 10 CGCDMO COc1cccc(CC[N@@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC001203934347 812496606 /nfs/dbraw/zinc/49/66/06/812496606.db2.gz RFSIPPSNYGDNPF-UHFFFAOYSA-N 1 1 298.430 3.436 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](O)CC2)c2ccccc21 ZINC001204232767 812579954 /nfs/dbraw/zinc/57/99/54/812579954.db2.gz IXWKQUAGLVERQO-MRXNPFEDSA-N 1 1 298.430 3.253 20 10 CGCDMO Oc1ccc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c(O)c1 ZINC001204275677 812595195 /nfs/dbraw/zinc/59/51/95/812595195.db2.gz YETXGLMNAGMTQF-HNNXBMFYSA-N 1 1 283.371 3.162 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC[C@H](C)CC2)c(O)c1 ZINC001204496455 812655822 /nfs/dbraw/zinc/65/58/22/812655822.db2.gz HXCLPHDJAYCWSA-LBPRGKRZSA-N 1 1 263.381 3.331 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC001204594034 812684499 /nfs/dbraw/zinc/68/44/99/812684499.db2.gz WIAOQDQIRDTBBJ-CVEARBPZSA-N 1 1 289.419 3.374 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CN)c2ccccc21 ZINC001204925300 812777976 /nfs/dbraw/zinc/77/79/76/812777976.db2.gz PRVOPXTUNFXGLL-INIZCTEOSA-N 1 1 297.446 3.219 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@H]2CN)c2ccccc21 ZINC001204925300 812777980 /nfs/dbraw/zinc/77/79/80/812777980.db2.gz PRVOPXTUNFXGLL-INIZCTEOSA-N 1 1 297.446 3.219 20 10 CGCDMO [NH3+][C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001205095126 812861933 /nfs/dbraw/zinc/86/19/33/812861933.db2.gz UPYKICVEZPZSFH-LLVKDONJSA-N 1 1 289.206 3.012 20 10 CGCDMO [NH3+][C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001205095126 812861941 /nfs/dbraw/zinc/86/19/41/812861941.db2.gz UPYKICVEZPZSFH-LLVKDONJSA-N 1 1 289.206 3.012 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1ncccc1C ZINC001205807936 813087631 /nfs/dbraw/zinc/08/76/31/813087631.db2.gz YBQHOLMIGBYFLG-UHFFFAOYSA-N 1 1 256.349 3.118 20 10 CGCDMO C[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCC[C@H]1C[NH3+] ZINC001206014551 813166568 /nfs/dbraw/zinc/16/65/68/813166568.db2.gz XOAWAOPJEWDUGV-HOCLYGCPSA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCC[C@H]1C[NH3+] ZINC001206014551 813166570 /nfs/dbraw/zinc/16/65/70/813166570.db2.gz XOAWAOPJEWDUGV-HOCLYGCPSA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2cc3ccccc3cc2[O-])CCC[C@H]1C[NH3+] ZINC001206021803 813168900 /nfs/dbraw/zinc/16/89/00/813168900.db2.gz BDGQDNVPWTTYJQ-PBHICJAKSA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2[O-])CCC[C@H]1C[NH3+] ZINC001206021803 813168902 /nfs/dbraw/zinc/16/89/02/813168902.db2.gz BDGQDNVPWTTYJQ-PBHICJAKSA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@@H]1CC(C[N@@H+](C)Cc2ccc(N(C)C)cc2)C[C@@H](C)O1 ZINC001209399851 814014385 /nfs/dbraw/zinc/01/43/85/814014385.db2.gz VBLDWUVODFUFCI-HUUCEWRRSA-N 1 1 290.451 3.388 20 10 CGCDMO C[C@@H]1C[C@@H]1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001209421449 814022142 /nfs/dbraw/zinc/02/21/42/814022142.db2.gz PUAVGDOGMFBYAY-GDBMZVCRSA-N 1 1 258.409 3.375 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@](C)(O)C2)cc1 ZINC001209516586 814070859 /nfs/dbraw/zinc/07/08/59/814070859.db2.gz BGCDICGAOXMDEB-IBGZPJMESA-N 1 1 298.430 3.441 20 10 CGCDMO CCOc1ccc(N2CC[NH+](Cc3ccc(C)[nH]3)CC2)cc1 ZINC001209575951 814088153 /nfs/dbraw/zinc/08/81/53/814088153.db2.gz PBOCIKPPPXDPDH-UHFFFAOYSA-N 1 1 299.418 3.044 20 10 CGCDMO CC(C)[C@H]([NH3+])c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217693879 815939009 /nfs/dbraw/zinc/93/90/09/815939009.db2.gz BLPRGUFLSUWCKY-AWEZNQCLSA-N 1 1 282.347 3.183 20 10 CGCDMO Cc1ncc(C[N@H+](C)Cc2c(O)ccc3ccccc32)cn1 ZINC001231590470 818132203 /nfs/dbraw/zinc/13/22/03/818132203.db2.gz CMZFMNPTUNXCKV-UHFFFAOYSA-N 1 1 293.370 3.276 20 10 CGCDMO CCC[C@@H]1CCCC[N@H+]1Cc1cc(OC)c(O)cc1O ZINC001231635045 818144024 /nfs/dbraw/zinc/14/40/24/818144024.db2.gz DGVSPPZMVIAMHB-CYBMUJFWSA-N 1 1 279.380 3.261 20 10 CGCDMO CCOc1ncccc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001231766000 818171113 /nfs/dbraw/zinc/17/11/13/818171113.db2.gz PYONGHZNVGOQRC-UHFFFAOYSA-N 1 1 299.418 3.178 20 10 CGCDMO CCOc1ncccc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001231766000 818171117 /nfs/dbraw/zinc/17/11/17/818171117.db2.gz PYONGHZNVGOQRC-UHFFFAOYSA-N 1 1 299.418 3.178 20 10 CGCDMO 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20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2O)CCC1(F)F ZINC001232834804 818451336 /nfs/dbraw/zinc/45/13/36/818451336.db2.gz NFBOBKSPBFHZIZ-GFCCVEGCSA-N 1 1 298.377 3.325 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c(O)c1 ZINC001232835665 818452336 /nfs/dbraw/zinc/45/23/36/818452336.db2.gz FJKRPUIIWHNRKI-ZIAGYGMSSA-N 1 1 274.408 3.080 20 10 CGCDMO CCCC[N@@H+](CCC)Cc1ccc(N(C)C)cc1O ZINC001232839468 818453712 /nfs/dbraw/zinc/45/37/12/818453712.db2.gz OPDQYDJCYFTXHP-UHFFFAOYSA-N 1 1 264.413 3.470 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1cccc(O)c1F ZINC001233057425 818515558 /nfs/dbraw/zinc/51/55/58/818515558.db2.gz MIDCBDLUQINSHU-UHFFFAOYSA-N 1 1 275.323 3.259 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)ccc2O)CC[C@]1(C)O ZINC001233284033 818566145 /nfs/dbraw/zinc/56/61/45/818566145.db2.gz FJQKCVMACWGMII-ACJLOTCBSA-N 1 1 291.435 3.283 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@@H+]1CCC2(CCC2)C1 ZINC001233335006 818585331 /nfs/dbraw/zinc/58/53/31/818585331.db2.gz DCZQWJSUMQBJBR-UHFFFAOYSA-N 1 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ZINC001236711284 819578459 /nfs/dbraw/zinc/57/84/59/819578459.db2.gz RSVFKPUDSVNRTJ-UHFFFAOYSA-N 1 1 275.323 3.259 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCCOC(C)(C)C2)c(Cl)c1 ZINC001236801994 819599409 /nfs/dbraw/zinc/59/94/09/819599409.db2.gz GDKMHWQWDBYJPC-UHFFFAOYSA-N 1 1 299.798 3.055 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](C)C2)c(Cl)c1 ZINC001236804865 819602560 /nfs/dbraw/zinc/60/25/60/819602560.db2.gz UXFRKQIBJSZQGJ-JTQLQIEISA-N 1 1 269.772 3.286 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)C[C@H]2CC2(C)C)c(O)c1 ZINC001236812100 819605109 /nfs/dbraw/zinc/60/51/09/819605109.db2.gz ZKXFCDXXLNZULW-GFCCVEGCSA-N 1 1 263.381 3.187 20 10 CGCDMO O=C1CCC[C@H]2C[N@H+](Cc3cc4ccccc4cc3O)C[C@@H]12 ZINC001236835765 819614737 /nfs/dbraw/zinc/61/47/37/819614737.db2.gz RVFHIMUZXCIYLC-DOTOQJQBSA-N 1 1 295.382 3.346 20 10 CGCDMO CN(C)[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236842032 819618147 /nfs/dbraw/zinc/61/81/47/819618147.db2.gz SAHWADQKJFANAZ-QGZVFWFLSA-N 1 1 284.403 3.071 20 10 CGCDMO C[NH+](C)[C@@H]1CCCN(Cc2cc3ccccc3cc2O)C1 ZINC001236842032 819618151 /nfs/dbraw/zinc/61/81/51/819618151.db2.gz SAHWADQKJFANAZ-QGZVFWFLSA-N 1 1 284.403 3.071 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@@](C)(O)[C@H](C)C2)c(O)c1 ZINC001237047081 819651280 /nfs/dbraw/zinc/65/12/80/819651280.db2.gz ZTDCJHMIIFAWST-RDTXWAMCSA-N 1 1 291.435 3.499 20 10 CGCDMO CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCCOC2)c(O)c1 ZINC001237052441 819653087 /nfs/dbraw/zinc/65/30/87/819653087.db2.gz ZEOVGNISWCSVEF-OAHLLOKOSA-N 1 1 263.381 3.126 20 10 CGCDMO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001237135546 819674834 /nfs/dbraw/zinc/67/48/34/819674834.db2.gz JOPZPQKKSBRINA-UWJYBYFXSA-N 1 1 289.272 3.201 20 10 CGCDMO Oc1ccc(C(F)(F)F)cc1C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001237135546 819674838 /nfs/dbraw/zinc/67/48/38/819674838.db2.gz JOPZPQKKSBRINA-UWJYBYFXSA-N 1 1 289.272 3.201 20 10 CGCDMO C[N@@H+](Cc1cc(C(F)(F)F)ccc1O)[C@@H]1CCCOC1 ZINC001237144528 819678594 /nfs/dbraw/zinc/67/85/94/819678594.db2.gz RHDYFPKYQHLMKM-GFCCVEGCSA-N 1 1 289.297 3.022 20 10 CGCDMO CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1c(C)cccc1O)C2 ZINC001237485687 819762853 /nfs/dbraw/zinc/76/28/53/819762853.db2.gz KKNORYNDJPLFEZ-QAPCUYQASA-N 1 1 289.419 3.339 20 10 CGCDMO CCOC(=O)C[N@@H+](Cc1c(C)cccc1O)C1CCCC1 ZINC001237494850 819764629 /nfs/dbraw/zinc/76/46/29/819764629.db2.gz MDKVWUCJFGLGLY-UHFFFAOYSA-N 1 1 291.391 3.008 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]3C[C@@H]32)cc1Br ZINC001237687116 819805353 /nfs/dbraw/zinc/80/53/53/819805353.db2.gz ZRNIOWGBPLOCQF-MFKMUULPSA-N 1 1 296.208 3.447 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CC(C)(C)C[C@]2(C)CO)c1O ZINC001237681750 819806193 /nfs/dbraw/zinc/80/61/93/819806193.db2.gz QGEDHZFGTLTWMF-MRXNPFEDSA-N 1 1 297.826 3.337 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001237933551 819883812 /nfs/dbraw/zinc/88/38/12/819883812.db2.gz CHMHQLKZWUHRED-OAHLLOKOSA-N 1 1 299.773 3.330 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001237933551 819883824 /nfs/dbraw/zinc/88/38/24/819883824.db2.gz CHMHQLKZWUHRED-OAHLLOKOSA-N 1 1 299.773 3.330 20 10 CGCDMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc(F)cc(C)c2O)no1 ZINC001238056340 819918304 /nfs/dbraw/zinc/91/83/04/819918304.db2.gz HBWZEKLWEBAGGS-HNNXBMFYSA-N 1 1 290.338 3.473 20 10 CGCDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2cc(F)cc(C)c2O)no1 ZINC001238056340 819918311 /nfs/dbraw/zinc/91/83/11/819918311.db2.gz HBWZEKLWEBAGGS-HNNXBMFYSA-N 1 1 290.338 3.473 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2cc(F)cc(C)c2O)cn1 ZINC001238064496 819920835 /nfs/dbraw/zinc/92/08/35/819920835.db2.gz CTXYQYGQQGYRBV-UHFFFAOYSA-N 1 1 274.339 3.175 20 10 CGCDMO CN(C)c1ccc(C2=CC[N@@H+](C)CC2)cc1C(F)(F)F ZINC001241322332 821732405 /nfs/dbraw/zinc/73/24/05/821732405.db2.gz LVLWCPRVEYWSBP-UHFFFAOYSA-N 1 1 284.325 3.490 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(N)cc2)cc1C ZINC001345160414 936804554 /nfs/dbraw/zinc/80/45/54/936804554.db2.gz VMQTWPACWYHSQH-UHFFFAOYSA-N 1 1 270.376 3.218 20 10 CGCDMO Cc1cccc(CC[NH2+]Cc2cc(Cl)c(F)cc2O)n1 ZINC000294797695 926911227 /nfs/dbraw/zinc/91/12/27/926911227.db2.gz VUEDIYARKIFIMD-UHFFFAOYSA-N 1 1 294.757 3.220 20 10 CGCDMO CC[C@H]([NH2+]Cc1c(O)cccc1F)[C@H]1CC1(C)C ZINC001462595649 928793384 /nfs/dbraw/zinc/79/33/84/928793384.db2.gz VTUQEDHSTIOFBG-YPMHNXCESA-N 1 1 251.345 3.446 20 10 CGCDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC001461858497 937601779 /nfs/dbraw/zinc/60/17/79/937601779.db2.gz GXGWPPZKTHVHCR-WDEREUQCSA-N 1 1 268.351 3.261 20 10 CGCDMO COC[C@H](C)C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001462205702 937624718 /nfs/dbraw/zinc/62/47/18/937624718.db2.gz INFPIHILGDXTNY-OAHLLOKOSA-N 1 1 276.424 3.001 20 10 CGCDMO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](C)c1c(O)cccc1F ZINC001331704751 932714824 /nfs/dbraw/zinc/71/48/24/932714824.db2.gz YSTNPPSYDPBWAY-GHMZBOCLSA-N 1 1 297.370 3.302 20 10 CGCDMO CCc1nc(N(CC)Cc2ccc(N(C)C)cc2)cc(C)[nH+]1 ZINC001306997226 932906632 /nfs/dbraw/zinc/90/66/32/932906632.db2.gz CPHFXAKOFYTYGP-UHFFFAOYSA-N 1 1 298.434 3.440 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC001462514183 937646656 /nfs/dbraw/zinc/64/66/56/937646656.db2.gz QHIXFAWDQQSHOG-PHIMTYICSA-N 1 1 265.303 3.068 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC001462514183 937646657 /nfs/dbraw/zinc/64/66/57/937646657.db2.gz QHIXFAWDQQSHOG-PHIMTYICSA-N 1 1 265.303 3.068 20 10 CGCDMO CCC(CC)C[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC001307897728 933017057 /nfs/dbraw/zinc/01/70/57/933017057.db2.gz UAXYXYUASWWTQM-UHFFFAOYSA-N 1 1 278.440 3.499 20 10 CGCDMO CC[C@@H]1C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC001308632435 933146221 /nfs/dbraw/zinc/14/62/21/933146221.db2.gz ZXMYIPPQXYPVFL-ZNUVNQELSA-N 1 1 288.435 3.265 20 10 CGCDMO CCC[N@@H+](Cc1c(C)cc(OC)cc1O)C(C)C ZINC001308838711 933187959 /nfs/dbraw/zinc/18/79/59/933187959.db2.gz UEZUFOHTWTUSHZ-UHFFFAOYSA-N 1 1 251.370 3.330 20 10 CGCDMO CCC(C)(C)CC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC001308897418 933198720 /nfs/dbraw/zinc/19/87/20/933198720.db2.gz IZRTXVRZJPXSNB-UHFFFAOYSA-N 1 1 296.367 3.225 20 10 CGCDMO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@@H]1CCCC[C@H]1N ZINC001326584725 934991754 /nfs/dbraw/zinc/99/17/54/934991754.db2.gz XVFSMAXTTUCUNY-REWJHTLYSA-N 1 1 274.408 3.108 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@H](CCF)C2)c(O)cc1C ZINC001328022530 935110078 /nfs/dbraw/zinc/11/00/78/935110078.db2.gz AFNJIISHNQBDOE-CYBMUJFWSA-N 1 1 281.371 3.281 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)CCC(F)(F)F ZINC001328659432 935157362 /nfs/dbraw/zinc/15/73/62/935157362.db2.gz JMLFSCPAWRQQAW-UHFFFAOYSA-N 1 1 274.330 3.445 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001329157459 935191052 /nfs/dbraw/zinc/19/10/52/935191052.db2.gz WZFQLPDIHVJSAT-GDBMZVCRSA-N 1 1 289.467 3.276 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCCC(F)F ZINC001333782018 936065309 /nfs/dbraw/zinc/06/53/09/936065309.db2.gz SIHBAJRRGJVWRC-UHFFFAOYSA-N 1 1 267.678 3.320 20 10 CGCDMO CCS[C@@H]1CCCC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001336118298 936176999 /nfs/dbraw/zinc/17/69/99/936176999.db2.gz XCVXHEBWIOLCKF-OAHLLOKOSA-N 1 1 264.438 3.376 20 10 CGCDMO COCC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CC(C)C ZINC001474322634 937851179 /nfs/dbraw/zinc/85/11/79/937851179.db2.gz LQJGNSCLDGGMPY-VOTSOKGWSA-N 1 1 290.451 3.370 20 10 CGCDMO Cc1cccc(CCC[NH2+]Cc2ccc(Cl)cc2O)n1 ZINC001474513119 937864256 /nfs/dbraw/zinc/86/42/56/937864256.db2.gz HGFBFNGSWVGCMC-UHFFFAOYSA-N 1 1 290.794 3.471 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCCO[C@H](C)C2)c1 ZINC001560683845 938269643 /nfs/dbraw/zinc/26/96/43/938269643.db2.gz ORPMABRZCNGSHN-CYBMUJFWSA-N 1 1 263.381 3.126 20 10 CGCDMO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1cc(F)c(F)cc1O ZINC001560778510 938275341 /nfs/dbraw/zinc/27/53/41/938275341.db2.gz DCJDIJWKMOTHBR-HOCLYGCPSA-N 1 1 299.361 3.354 20 10 CGCDMO CCCOc1ccc(CN[C@@H]2C[C@H]([NH3+])C23CCC3)cc1C ZINC001577585727 962556694 /nfs/dbraw/zinc/55/66/94/962556694.db2.gz ACTIAFMOSQXYEE-DLBZAZTESA-N 1 1 288.435 3.143 20 10 CGCDMO [O-]c1ccccc1C[N@H+](CCC[NH2+]C1CC1)C1CCCC1 ZINC001580888324 962743385 /nfs/dbraw/zinc/74/33/85/962743385.db2.gz ILKUVXHJOJCLBE-UHFFFAOYSA-N 1 1 288.435 3.279 20 10 CGCDMO [O-]c1ccccc1C[N@@H+](CCC[NH2+]C1CC1)C1CCCC1 ZINC001580888324 962743396 /nfs/dbraw/zinc/74/33/96/962743396.db2.gz ILKUVXHJOJCLBE-UHFFFAOYSA-N 1 1 288.435 3.279 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000092594644 370097962 /nfs/dbraw/zinc/09/79/62/370097962.db2.gz FOQAJIZLBLLUCH-HNNXBMFYSA-N 1 1 289.400 3.336 20 10 CGCDMO COc1cccc(C[N@@H+](C)CCc2ccccc2)c1O ZINC000156043347 371958553 /nfs/dbraw/zinc/95/85/53/371958553.db2.gz SHTGZLZYGQDDDJ-UHFFFAOYSA-N 1 1 271.360 3.075 20 10 CGCDMO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@@H]1CCCCO1 ZINC000293556836 372412015 /nfs/dbraw/zinc/41/20/15/372412015.db2.gz HQXAPLZKCSXXPE-XPTSAGLGSA-N 1 1 287.762 3.232 20 10 CGCDMO C[C@H]1C[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000293660814 372440347 /nfs/dbraw/zinc/44/03/47/372440347.db2.gz PPJJWUGDMAGTIV-UWVGGRQHSA-N 1 1 287.762 3.089 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(F)cc1O ZINC000168818126 372621956 /nfs/dbraw/zinc/62/19/56/372621956.db2.gz BYJBBIYPCMCUJK-MWLCHTKSSA-N 1 1 287.425 3.031 20 10 CGCDMO CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1O)OC ZINC000294253063 372628038 /nfs/dbraw/zinc/62/80/38/372628038.db2.gz QEMDVKIAZKVHLT-FIXISWKDSA-N 1 1 269.360 3.243 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)Cc1cccnc1N ZINC000294883496 372676278 /nfs/dbraw/zinc/67/62/78/372676278.db2.gz AIUWNEIPDLBVNM-UHFFFAOYSA-N 1 1 285.391 3.172 20 10 CGCDMO CCC[N@@H+](CCCCCCO)Cc1ccccc1O ZINC000175776724 373518830 /nfs/dbraw/zinc/51/88/30/373518830.db2.gz XRHZMSQUGFWDDH-UHFFFAOYSA-N 1 1 265.397 3.157 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2cccn2C)c1 ZINC000179598528 373893420 /nfs/dbraw/zinc/89/34/20/373893420.db2.gz YNDMMXQMUIESSG-MRXNPFEDSA-N 1 1 286.375 3.076 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCSC2)c1O ZINC000179681406 373905260 /nfs/dbraw/zinc/90/52/60/373905260.db2.gz PLFQEURCGOYSCL-GFCCVEGCSA-N 1 1 271.813 3.291 20 10 CGCDMO C[C@H](CCO)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000192882640 375797748 /nfs/dbraw/zinc/79/77/48/375797748.db2.gz ZQYUZVUYSMFOPF-HTQZYQBOSA-N 1 1 278.179 3.121 20 10 CGCDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2c(O)cccc2Cl)C1 ZINC000271198923 378478904 /nfs/dbraw/zinc/47/89/04/378478904.db2.gz VSRKLKJGKAUEGB-CYBMUJFWSA-N 1 1 296.842 3.209 20 10 CGCDMO Oc1ccc(F)cc1C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000272310282 378610764 /nfs/dbraw/zinc/61/07/64/378610764.db2.gz RIVDUKIUVTVLAQ-QGZVFWFLSA-N 1 1 287.334 3.105 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000272310282 378610767 /nfs/dbraw/zinc/61/07/67/378610767.db2.gz RIVDUKIUVTVLAQ-QGZVFWFLSA-N 1 1 287.334 3.105 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccsc2)c1 ZINC000273409087 378746320 /nfs/dbraw/zinc/74/63/20/378746320.db2.gz PGAWREWCWVVLOV-SNVBAGLBSA-N 1 1 291.372 3.091 20 10 CGCDMO COc1ccc(N2CCC[N@@H+](CCCCCF)CC2)cc1 ZINC000375326744 379493575 /nfs/dbraw/zinc/49/35/75/379493575.db2.gz LXNFTXLTSAYXNK-UHFFFAOYSA-N 1 1 294.414 3.347 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)c1O ZINC000280454383 379709849 /nfs/dbraw/zinc/70/98/49/379709849.db2.gz LOEDBUWLIRJWTA-HNNXBMFYSA-N 1 1 293.407 3.038 20 10 CGCDMO CCCOc1ccc(C[N@H+]2CCCO[C@H](CC)C2)c(O)c1 ZINC000281335755 379830621 /nfs/dbraw/zinc/83/06/21/379830621.db2.gz SIQRHZBOMOIIEB-OAHLLOKOSA-N 1 1 293.407 3.182 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(C)c(C)cc2O)[C@H](C)C1 ZINC000282114741 379856573 /nfs/dbraw/zinc/85/65/73/379856573.db2.gz ALPVEAFZLCXIRJ-UKRRQHHQSA-N 1 1 263.381 3.008 20 10 CGCDMO Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)no1 ZINC000282641941 379960675 /nfs/dbraw/zinc/96/06/75/379960675.db2.gz KMQIIXILMNTSQA-CQSZACIVSA-N 1 1 285.391 3.434 20 10 CGCDMO CCSCCC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000282934941 380014035 /nfs/dbraw/zinc/01/40/35/380014035.db2.gz YPZUVBUGEKCMDY-SNVBAGLBSA-N 1 1 257.374 3.325 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(F)cc1O ZINC000285532764 380149774 /nfs/dbraw/zinc/14/97/74/380149774.db2.gz FOOBYXNTKIZUDO-WBVHZDCISA-N 1 1 289.350 3.306 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H](C)SC)c1ccc(F)cc1O ZINC000286170325 380171052 /nfs/dbraw/zinc/17/10/52/380171052.db2.gz PTULTAOPXXQSDJ-BXKDBHETSA-N 1 1 257.374 3.324 20 10 CGCDMO CC[C@@H]([NH2+]CCCCCCO)c1ccc(F)cc1O ZINC000286327414 380197215 /nfs/dbraw/zinc/19/72/15/380197215.db2.gz YFZFWCLCKILPAQ-CQSZACIVSA-N 1 1 269.360 3.125 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)c1cnn(C)c1C)c1ccc(F)cc1O ZINC000285769217 380152796 /nfs/dbraw/zinc/15/27/96/380152796.db2.gz SRKXXKYNVXOQPU-BMIGLBTASA-N 1 1 291.370 3.375 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(F)cc1O ZINC000285903256 380152911 /nfs/dbraw/zinc/15/29/11/380152911.db2.gz BLABSLDUPMXQGA-KGLIPLIRSA-N 1 1 293.338 3.289 20 10 CGCDMO CC[C@H]([NH2+]CC(C)(C)CCCO)c1ccc(F)cc1O ZINC000286007966 380158379 /nfs/dbraw/zinc/15/83/79/380158379.db2.gz JBQKNCBZEBWSRI-AWEZNQCLSA-N 1 1 283.387 3.371 20 10 CGCDMO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1ccc(F)cc1O ZINC000363845758 382259313 /nfs/dbraw/zinc/25/93/13/382259313.db2.gz BEOVZYYRPAGTCM-CEFQPYBMSA-N 1 1 293.382 3.386 20 10 CGCDMO COCC[C@@H]1CCCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000364253219 382267615 /nfs/dbraw/zinc/26/76/15/382267615.db2.gz LGBDQGRWJHLBGR-HNNXBMFYSA-N 1 1 277.408 3.339 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000364470692 382272032 /nfs/dbraw/zinc/27/20/32/382272032.db2.gz DDUSMNRAMIFHNT-UHFFFAOYSA-N 1 1 299.773 3.187 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC2(C1)CCOCC2 ZINC000364470692 382272036 /nfs/dbraw/zinc/27/20/36/382272036.db2.gz DDUSMNRAMIFHNT-UHFFFAOYSA-N 1 1 299.773 3.187 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCCC3(CC3)C2)c1O ZINC000186623114 262102272 /nfs/dbraw/zinc/10/22/72/262102272.db2.gz RGXQYXDSITVQAD-UHFFFAOYSA-N 1 1 261.365 3.167 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCOc3cc(O)ccc3C2)cc1C ZINC000289685052 392428129 /nfs/dbraw/zinc/42/81/29/392428129.db2.gz OBDSLLURTJCZQV-UHFFFAOYSA-N 1 1 299.370 3.109 20 10 CGCDMO CSC[C@@H]1CCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000135471550 392474978 /nfs/dbraw/zinc/47/49/78/392474978.db2.gz SODSWDHEKVXGFR-ZDUSSCGKSA-N 1 1 297.395 3.061 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+](CC(C)(C)O)C2CC2)c1O ZINC000189943499 392809437 /nfs/dbraw/zinc/80/94/37/392809437.db2.gz GUULZLXLDCDKSZ-UHFFFAOYSA-N 1 1 283.799 3.089 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC1(C)C ZINC000295141442 286059291 /nfs/dbraw/zinc/05/92/91/286059291.db2.gz ZWCKEJMWFYITQO-INIZCTEOSA-N 1 1 294.414 3.139 20 10 CGCDMO Cc1ccc(O)c(CN2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000179771604 261815558 /nfs/dbraw/zinc/81/55/58/261815558.db2.gz HPUKSDKJSYWIER-UHFFFAOYSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CCCN(C3CCCC3)CC2)c1 ZINC000179771604 261815559 /nfs/dbraw/zinc/81/55/59/261815559.db2.gz HPUKSDKJSYWIER-UHFFFAOYSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCCN(C3CCCC3)CC2)c1 ZINC000179771604 261815561 /nfs/dbraw/zinc/81/55/61/261815561.db2.gz HPUKSDKJSYWIER-UHFFFAOYSA-N 1 1 288.435 3.151 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000184997391 262036364 /nfs/dbraw/zinc/03/63/64/262036364.db2.gz AUZQETQTTFSGKQ-NWDGAFQWSA-N 1 1 294.826 3.181 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000184997391 262036366 /nfs/dbraw/zinc/03/63/66/262036366.db2.gz AUZQETQTTFSGKQ-NWDGAFQWSA-N 1 1 294.826 3.181 20 10 CGCDMO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000185098908 262040758 /nfs/dbraw/zinc/04/07/58/262040758.db2.gz NMGPCTIGCZBYHU-SJKOYZFVSA-N 1 1 289.350 3.224 20 10 CGCDMO C[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccc(F)cc1O ZINC000185518652 262058025 /nfs/dbraw/zinc/05/80/25/262058025.db2.gz RAGURGDMYAZTQS-BMIGLBTASA-N 1 1 295.379 3.151 20 10 CGCDMO C[C@H]([NH2+]CC[C@H]1CCCCO1)c1ccc(F)cc1O ZINC000186515289 262315949 /nfs/dbraw/zinc/31/59/49/262315949.db2.gz UTKJYFJVAOLOJN-WCQYABFASA-N 1 1 267.344 3.141 20 10 CGCDMO C[C@H]([NH2+]CC[C@@H]1CCCCO1)c1ccc(F)cc1O ZINC000186515255 262316092 /nfs/dbraw/zinc/31/60/92/262316092.db2.gz UTKJYFJVAOLOJN-AAEUAGOBSA-N 1 1 267.344 3.141 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@](C)(OC)C1CC1)c1ccc(F)cc1O ZINC000291084961 263119960 /nfs/dbraw/zinc/11/99/60/263119960.db2.gz CHPNNHOEUPNDAZ-GDBMZVCRSA-N 1 1 281.371 3.387 20 10 CGCDMO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCc3cn[nH]c3C2)cc1 ZINC000370663796 267336403 /nfs/dbraw/zinc/33/64/03/267336403.db2.gz YMSOFUDXGSLAIW-XJKSGUPXSA-N 1 1 298.434 3.074 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000370720746 267341899 /nfs/dbraw/zinc/34/18/99/267341899.db2.gz ORGJUPXODGBZOW-ZDUSSCGKSA-N 1 1 295.810 3.294 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000377195032 268055060 /nfs/dbraw/zinc/05/50/60/268055060.db2.gz CLAZEEINUWFCOZ-GHMZBOCLSA-N 1 1 299.773 3.043 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000377195032 268055063 /nfs/dbraw/zinc/05/50/63/268055063.db2.gz CLAZEEINUWFCOZ-GHMZBOCLSA-N 1 1 299.773 3.043 20 10 CGCDMO Cc1cccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)c1O ZINC000289562242 328255455 /nfs/dbraw/zinc/25/54/55/328255455.db2.gz RWCXUDIGCYQSSR-HNNXBMFYSA-N 1 1 271.364 3.151 20 10 CGCDMO Oc1ccccc1C[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000378494316 329052833 /nfs/dbraw/zinc/05/28/33/329052833.db2.gz KQNYFVRCJJMXFZ-PKOBYXMFSA-N 1 1 297.398 3.480 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000179579420 329209641 /nfs/dbraw/zinc/20/96/41/329209641.db2.gz NQDJAICMPNQMHY-IBGZPJMESA-N 1 1 295.382 3.066 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@](C)(OC)C2)c1O ZINC000230300140 333316347 /nfs/dbraw/zinc/31/63/47/333316347.db2.gz GMXLICYHLWUAID-HNNXBMFYSA-N 1 1 299.798 3.055 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](n3cccn3)C2)cc1 ZINC000365847666 520896524 /nfs/dbraw/zinc/89/65/24/520896524.db2.gz OJYVKJQJOBXZEK-GOSISDBHSA-N 1 1 298.434 3.176 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c1 ZINC000291552401 521142238 /nfs/dbraw/zinc/14/22/38/521142238.db2.gz MLDUGKJIKAQYJM-NSHDSACASA-N 1 1 285.334 3.268 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)c1O ZINC000093500496 521339751 /nfs/dbraw/zinc/33/97/51/521339751.db2.gz MMIGYUUIRWGXFR-RYUDHWBXSA-N 1 1 281.421 3.117 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](Cc2cccnc2)C2CC2)cc1F ZINC000290504364 522172671 /nfs/dbraw/zinc/17/26/71/522172671.db2.gz PGZLSCRQNCSQDL-UHFFFAOYSA-N 1 1 299.393 3.451 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C(C)C)C(C)(C)O)c1ccc(F)cc1O ZINC000287445696 522686199 /nfs/dbraw/zinc/68/61/99/522686199.db2.gz LEBCLFATAKPNFP-ZFWWWQNUSA-N 1 1 283.387 3.368 20 10 CGCDMO CO[C@H](C)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000278670618 523887017 /nfs/dbraw/zinc/88/70/17/523887017.db2.gz JDUNEJNWLLYTJI-HTQZYQBOSA-N 1 1 278.179 3.385 20 10 CGCDMO Cc1cccc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1O ZINC000291669410 524386146 /nfs/dbraw/zinc/38/61/46/524386146.db2.gz WETPVVNYGRWESL-GOEBONIOSA-N 1 1 275.392 3.090 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1O ZINC000278403400 524406583 /nfs/dbraw/zinc/40/65/83/524406583.db2.gz OPBHKOCKLOZQQW-LLVKDONJSA-N 1 1 273.298 3.475 20 10 CGCDMO C[C@H](NCC[N@H+](C)C1CCCC1)c1cc(F)ccc1O ZINC000094618199 525350994 /nfs/dbraw/zinc/35/09/94/525350994.db2.gz DMNNVLQFEDCMAC-LBPRGKRZSA-N 1 1 280.387 3.056 20 10 CGCDMO C[C@H](NCC[N@@H+](C)C1CCCC1)c1cc(F)ccc1O ZINC000094618199 525351000 /nfs/dbraw/zinc/35/10/00/525351000.db2.gz DMNNVLQFEDCMAC-LBPRGKRZSA-N 1 1 280.387 3.056 20 10 CGCDMO C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cc(F)ccc1[O-] ZINC000278477207 525425655 /nfs/dbraw/zinc/42/56/55/525425655.db2.gz OKOPNRLJKVTXKB-GFCCVEGCSA-N 1 1 292.398 3.056 20 10 CGCDMO CC[C@H]1CCC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000727824427 571771552 /nfs/dbraw/zinc/77/15/52/571771552.db2.gz PFCBZRNTHKCSKQ-ZDUSSCGKSA-N 1 1 256.349 3.315 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H](N(C)C)C2)cc1C(C)C ZINC000738145868 572365626 /nfs/dbraw/zinc/36/56/26/572365626.db2.gz SHORCJBFIJQVGX-INIZCTEOSA-N 1 1 290.451 3.350 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](N(C)C)C2)cc1C(C)C ZINC000738145868 572365627 /nfs/dbraw/zinc/36/56/27/572365627.db2.gz SHORCJBFIJQVGX-INIZCTEOSA-N 1 1 290.451 3.350 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)C[C@H](C)S1 ZINC000743373889 572396841 /nfs/dbraw/zinc/39/68/41/572396841.db2.gz ACKQZVCPZAWVCK-TXEJJXNPSA-N 1 1 277.433 3.207 20 10 CGCDMO CC(C)OCCC[N@@H+](C)Cc1c(O)ccc2ccncc21 ZINC000740856180 572461487 /nfs/dbraw/zinc/46/14/87/572461487.db2.gz AXCKCNCLVNGIFF-UHFFFAOYSA-N 1 1 288.391 3.187 20 10 CGCDMO CC[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(cc1O)OCO2 ZINC000746027800 572848497 /nfs/dbraw/zinc/84/84/97/572848497.db2.gz AZIGNRRKXMICTI-UHFFFAOYSA-N 1 1 299.370 3.451 20 10 CGCDMO CCc1cc(C[N@H+]2CCCOCC2)c(O)c(C(C)(C)C)c1 ZINC000748073291 572958857 /nfs/dbraw/zinc/95/88/57/572958857.db2.gz WMXVDEVYVQFOSE-UHFFFAOYSA-N 1 1 291.435 3.474 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(C)cc2O)CCS1 ZINC000160320715 617956304 /nfs/dbraw/zinc/95/63/04/617956304.db2.gz DBTRDIZCLRTFPR-CYBMUJFWSA-N 1 1 281.421 3.037 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C)c(O)c1OC ZINC000891861545 618346724 /nfs/dbraw/zinc/34/67/24/618346724.db2.gz HKJAXZBAUWQEPH-NWDGAFQWSA-N 1 1 279.380 3.030 20 10 CGCDMO CC[C@@H](C)C[N@@H+](CC)Cc1ccc(OC)c(OC)c1O ZINC000892193526 618583948 /nfs/dbraw/zinc/58/39/48/618583948.db2.gz XAGNPOHKUHNJEW-GFCCVEGCSA-N 1 1 281.396 3.277 20 10 CGCDMO C[C@@H]1CC[C@H]([NH2+]Cc2cccc(F)c2O)C[C@@H]1C ZINC000158783544 618734798 /nfs/dbraw/zinc/73/47/98/618734798.db2.gz VZYYZRQMINAAEC-MDZLAQPJSA-N 1 1 251.345 3.446 20 10 CGCDMO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ncc[nH]2)cc1F ZINC000286190609 618762141 /nfs/dbraw/zinc/76/21/41/618762141.db2.gz RGILQMYOBKSAFM-LBPRGKRZSA-N 1 1 290.386 3.246 20 10 CGCDMO COc1cc(C[N@@H+](C)Cc2scnc2C)c(O)cc1C ZINC000179443928 618785034 /nfs/dbraw/zinc/78/50/34/618785034.db2.gz RGCOTBCDWYSVKB-UHFFFAOYSA-N 1 1 292.404 3.106 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc(F)cc1O ZINC000185095652 625299249 /nfs/dbraw/zinc/29/92/49/625299249.db2.gz GRPZEPOXVRURGI-QLJPJBMISA-N 1 1 293.313 3.055 20 10 CGCDMO CC(C)[N@@H+](C)C[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000312467694 619078336 /nfs/dbraw/zinc/07/83/36/619078336.db2.gz WUQUPYLZUAFQQQ-GJZGRUSLSA-N 1 1 277.456 3.132 20 10 CGCDMO CC(C)[N@H+](C)C[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000312467694 619078338 /nfs/dbraw/zinc/07/83/38/619078338.db2.gz WUQUPYLZUAFQQQ-GJZGRUSLSA-N 1 1 277.456 3.132 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000840910751 619119912 /nfs/dbraw/zinc/11/99/12/619119912.db2.gz RDICPVXCENXGQX-OAHLLOKOSA-N 1 1 288.435 3.062 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c1O ZINC000841690118 619277652 /nfs/dbraw/zinc/27/76/52/619277652.db2.gz MBGCKHCKOMFNHT-YNEHKIRRSA-N 1 1 263.381 3.186 20 10 CGCDMO C[C@H]([NH2+]Cc1nccn1C1CC1)c1ccc(N(C)C)cc1 ZINC000893684177 619278527 /nfs/dbraw/zinc/27/85/27/619278527.db2.gz ORIZKLCYOYURQX-ZDUSSCGKSA-N 1 1 284.407 3.135 20 10 CGCDMO CCC[NH+]1CCC(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185351360 625349633 /nfs/dbraw/zinc/34/96/33/625349633.db2.gz QKFYXSFVCIHGNY-CYBMUJFWSA-N 1 1 294.414 3.304 20 10 CGCDMO CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185351345 625349718 /nfs/dbraw/zinc/34/97/18/625349718.db2.gz QKFYXSFVCIHGNY-ZDUSSCGKSA-N 1 1 294.414 3.304 20 10 CGCDMO Cc1ccccc1C[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000007091583 619512749 /nfs/dbraw/zinc/51/27/49/619512749.db2.gz IFBMCUHRWBLREM-UHFFFAOYSA-N 1 1 285.343 3.061 20 10 CGCDMO C[C@@H](C[N@H+](C)Cc1cc(F)cc(F)c1O)c1nccs1 ZINC000894450023 619538787 /nfs/dbraw/zinc/53/87/87/619538787.db2.gz WTUVKCLBKNBEQJ-VIFPVBQESA-N 1 1 298.358 3.362 20 10 CGCDMO C[C@@H](C[N@@H+](C)Cc1cc(F)cc(F)c1O)c1nccs1 ZINC000894450023 619538792 /nfs/dbraw/zinc/53/87/92/619538792.db2.gz WTUVKCLBKNBEQJ-VIFPVBQESA-N 1 1 298.358 3.362 20 10 CGCDMO C[C@H](c1cccnc1)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894448089 619541722 /nfs/dbraw/zinc/54/17/22/619541722.db2.gz BDMHERWYWONCEI-SNVBAGLBSA-N 1 1 278.302 3.258 20 10 CGCDMO C[C@H](c1cccnc1)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000894448089 619541737 /nfs/dbraw/zinc/54/17/37/619541737.db2.gz BDMHERWYWONCEI-SNVBAGLBSA-N 1 1 278.302 3.258 20 10 CGCDMO CCc1nc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cs1 ZINC000185397471 625355346 /nfs/dbraw/zinc/35/53/46/625355346.db2.gz KPDXIHGJWSDOCJ-VIFPVBQESA-N 1 1 280.368 3.401 20 10 CGCDMO CCCC[N@@H+](Cc1ccccc1O)Cc1c(C)ccnc1N ZINC000894679051 619601736 /nfs/dbraw/zinc/60/17/36/619601736.db2.gz JNTACCKSMJBBOQ-UHFFFAOYSA-N 1 1 299.418 3.480 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H]2c2ccncc2)c1O ZINC000894764915 619630405 /nfs/dbraw/zinc/63/04/05/619630405.db2.gz XDQHDKVBXAIAAT-MRXNPFEDSA-N 1 1 298.386 3.441 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)c1O ZINC000894793370 619640469 /nfs/dbraw/zinc/64/04/69/619640469.db2.gz FDWQWVJEJQSGSB-KRWDZBQOSA-N 1 1 287.403 3.474 20 10 CGCDMO CCOC[C@@H]1CCCC[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000894984164 619692227 /nfs/dbraw/zinc/69/22/27/619692227.db2.gz ISCCHTRFHFWZFA-HNNXBMFYSA-N 1 1 293.407 3.100 20 10 CGCDMO CCc1cccc(CN2CCC(C)([NH+]3CCC3)CC2)c1O ZINC000895670894 619869205 /nfs/dbraw/zinc/86/92/05/619869205.db2.gz HYEJOQDZPUYNSK-UHFFFAOYSA-N 1 1 288.435 3.015 20 10 CGCDMO CCc1cccc(C[NH+]2CCC(C)(N3CCC3)CC2)c1O ZINC000895670894 619869207 /nfs/dbraw/zinc/86/92/07/619869207.db2.gz HYEJOQDZPUYNSK-UHFFFAOYSA-N 1 1 288.435 3.015 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@H+]2C[C@@H]3CSC[C@@H]3C2)cc1 ZINC000895780002 619886794 /nfs/dbraw/zinc/88/67/94/619886794.db2.gz ZANIYPCMAUPSHY-ZOSBBBERSA-N 1 1 288.460 3.061 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000896577424 620029277 /nfs/dbraw/zinc/02/92/77/620029277.db2.gz KXNMKLZPSKAESZ-ZDUSSCGKSA-N 1 1 271.360 3.156 20 10 CGCDMO COC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccc(C)o1 ZINC000185630281 625399189 /nfs/dbraw/zinc/39/91/89/625399189.db2.gz HTXXKEHXHOIZLN-SMDDNHRTSA-N 1 1 293.338 3.471 20 10 CGCDMO COc1ccc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1C ZINC000035052717 620265543 /nfs/dbraw/zinc/26/55/43/620265543.db2.gz DFLNSDZSKQVXNQ-UHFFFAOYSA-N 1 1 290.451 3.402 20 10 CGCDMO CCC(O)(CC)C[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000862539815 620299420 /nfs/dbraw/zinc/29/94/20/620299420.db2.gz SIDNQOJXKSCWAT-UHFFFAOYSA-N 1 1 271.788 3.029 20 10 CGCDMO C[C@H]([NH2+]CCc1ccccn1)c1ccc(Cl)cc1O ZINC000841743477 620341471 /nfs/dbraw/zinc/34/14/71/620341471.db2.gz HNORNPPTVBXEQR-NSHDSACASA-N 1 1 276.767 3.334 20 10 CGCDMO COC[C@H](C)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000179195536 620371899 /nfs/dbraw/zinc/37/18/99/620371899.db2.gz KZOCNOZLNFPWSQ-HNNXBMFYSA-N 1 1 276.424 3.144 20 10 CGCDMO Oc1c(Cl)cccc1CN1CCC([NH2+]C2CCC2)CC1 ZINC000897980631 620461454 /nfs/dbraw/zinc/46/14/54/620461454.db2.gz AWRWYBPFKUIRPX-UHFFFAOYSA-N 1 1 294.826 3.152 20 10 CGCDMO CCC[C@@H](O)CC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000927026270 620564007 /nfs/dbraw/zinc/56/40/07/620564007.db2.gz ZZYLFLQIIOVEPD-ZYHUDNBSSA-N 1 1 271.788 3.247 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000898516173 620595445 /nfs/dbraw/zinc/59/54/45/620595445.db2.gz NNWOETNWCKNQIR-GDBMZVCRSA-N 1 1 275.392 3.031 20 10 CGCDMO Cc1cc(NCc2cc(C)c(C)cc2O)nc(C)[nH+]1 ZINC000902170888 621183914 /nfs/dbraw/zinc/18/39/14/621183914.db2.gz YLKONYVOQKMUQZ-UHFFFAOYSA-N 1 1 257.337 3.028 20 10 CGCDMO C[C@H]([NH2+]CC1(N)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000902417532 621309907 /nfs/dbraw/zinc/30/99/07/621309907.db2.gz SEUCULHVPQZANC-HNNXBMFYSA-N 1 1 287.451 3.209 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCOC12CCCC2)c1ccc(F)cc1O ZINC000903381519 621724259 /nfs/dbraw/zinc/72/42/59/621724259.db2.gz AQVZJJOAWCAQLW-IAQYHMDHSA-N 1 1 279.355 3.284 20 10 CGCDMO C[C@@H]1OCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)[C@H]1C ZINC000164202045 622820184 /nfs/dbraw/zinc/82/01/84/622820184.db2.gz OPZQPTKVKAVYKD-RYUDHWBXSA-N 1 1 293.407 3.005 20 10 CGCDMO C[C@@H]1OCC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)[C@H]1C ZINC000164202045 622820188 /nfs/dbraw/zinc/82/01/88/622820188.db2.gz OPZQPTKVKAVYKD-RYUDHWBXSA-N 1 1 293.407 3.005 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+](C)C[C@@H]2CCCCO2)c1 ZINC000164197994 622820889 /nfs/dbraw/zinc/82/08/89/622820889.db2.gz RXCKBGCTSDSDCE-HNNXBMFYSA-N 1 1 263.381 3.010 20 10 CGCDMO CC[N@H+](CCN[C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000156586954 622826264 /nfs/dbraw/zinc/82/62/64/622826264.db2.gz UELDBYYAIHWEJV-HNNXBMFYSA-N 1 1 277.456 3.134 20 10 CGCDMO CC[N@@H+](CCN[C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000156586954 622826265 /nfs/dbraw/zinc/82/62/65/622826265.db2.gz UELDBYYAIHWEJV-HNNXBMFYSA-N 1 1 277.456 3.134 20 10 CGCDMO CCOC[C@@H]1CCC[N@@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164332833 622828058 /nfs/dbraw/zinc/82/80/58/622828058.db2.gz QZIIDVAASJWJLH-OAHLLOKOSA-N 1 1 277.408 3.258 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@H](C)[C@H](C)C2)c1O ZINC000228667712 623070024 /nfs/dbraw/zinc/07/00/24/623070024.db2.gz YXPSBSSCDWYANZ-AOOOYVTPSA-N 1 1 269.772 3.142 20 10 CGCDMO C[C@H]1CSCC[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000172516321 623253726 /nfs/dbraw/zinc/25/37/26/623253726.db2.gz HMNOSZVSOCRLQH-NSHDSACASA-N 1 1 295.448 3.333 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)CCc2ccc(F)cc2)c1 ZINC000179797087 624685406 /nfs/dbraw/zinc/68/54/06/624685406.db2.gz ASCQNFNZYYYHKD-UHFFFAOYSA-N 1 1 289.350 3.214 20 10 CGCDMO Nc1cc(C[N@@H+](Cc2ccccc2O)C2CCCC2)ccn1 ZINC000839492035 626355765 /nfs/dbraw/zinc/35/57/65/626355765.db2.gz OYCBVWBSJRGLTI-UHFFFAOYSA-N 1 1 297.402 3.314 20 10 CGCDMO Oc1ccccc1C[N@@H+](CCC1(O)CCC1)C1CCCC1 ZINC000839491834 626355893 /nfs/dbraw/zinc/35/58/93/626355893.db2.gz MVODGWDZVFMFBN-UHFFFAOYSA-N 1 1 289.419 3.442 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H]2C2CC2)c1O ZINC000754727482 626585001 /nfs/dbraw/zinc/58/50/01/626585001.db2.gz YKOBUMUGVPELPE-CQSZACIVSA-N 1 1 261.365 3.084 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCS[C@@H](C)CC2)c(O)c1 ZINC000756145507 626680972 /nfs/dbraw/zinc/68/09/72/626680972.db2.gz AAXYOEAPUFBEMS-LBPRGKRZSA-N 1 1 281.421 3.118 20 10 CGCDMO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)N1CCCC[C@H]1C ZINC000756413081 626703265 /nfs/dbraw/zinc/70/32/65/626703265.db2.gz XLIADZQXDMGICS-MCIONIFRSA-N 1 1 294.414 3.445 20 10 CGCDMO C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000756637017 626722791 /nfs/dbraw/zinc/72/27/91/626722791.db2.gz YTOSZGXEBDRJNJ-RYUDHWBXSA-N 1 1 274.339 3.208 20 10 CGCDMO Cc1noc(C)c1CCC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000756639650 626723623 /nfs/dbraw/zinc/72/36/23/626723623.db2.gz BHSGRAARMFFHQI-JTQLQIEISA-N 1 1 292.354 3.420 20 10 CGCDMO C[C@H]([NH2+]CCC(F)(F)F)c1cc(F)cc(F)c1O ZINC000756649577 626724653 /nfs/dbraw/zinc/72/46/53/626724653.db2.gz QCULTYZGHAXYLR-LURJTMIESA-N 1 1 269.213 3.273 20 10 CGCDMO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1cc(F)cc(F)c1O ZINC000756656096 626724675 /nfs/dbraw/zinc/72/46/75/626724675.db2.gz TZAGUWSYFFEYMZ-BMIGLBTASA-N 1 1 293.313 3.055 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C2CC2)c1O ZINC000761194243 627023732 /nfs/dbraw/zinc/02/37/32/627023732.db2.gz SBGFSDNDVUGZLG-CYBMUJFWSA-N 1 1 281.783 3.429 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCc3cccc(C)c3C2)c1 ZINC000763506332 627161501 /nfs/dbraw/zinc/16/15/01/627161501.db2.gz OCIXVZVHSMRHAE-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO CC[N@@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768236898 627469832 /nfs/dbraw/zinc/46/98/32/627469832.db2.gz LJIIXGAFHMBACX-UHFFFAOYSA-N 1 1 277.368 3.037 20 10 CGCDMO CC(C)[C@H](C)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000768269971 627471937 /nfs/dbraw/zinc/47/19/37/627471937.db2.gz SZUQTGILGWUHKJ-LBPRGKRZSA-N 1 1 252.377 3.368 20 10 CGCDMO CCC[C@H](C)[N@@H+](C)Cc1ccc(OCC)cc1O ZINC000768337768 627473965 /nfs/dbraw/zinc/47/39/65/627473965.db2.gz GLXMYEVEVDHLFU-LBPRGKRZSA-N 1 1 251.370 3.411 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000768360669 627475658 /nfs/dbraw/zinc/47/56/58/627475658.db2.gz OAMFKNXBLXBCCM-OAHLLOKOSA-N 1 1 283.371 3.390 20 10 CGCDMO CCCC[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)[C@@H](C)CC ZINC000768439075 627479799 /nfs/dbraw/zinc/47/97/99/627479799.db2.gz GNDQWMJXMPJTRB-BLLLJJGKSA-N 1 1 293.407 3.219 20 10 CGCDMO COc1cc(C[N@@H+](C)[C@H](C)C(C)C)c(O)cc1C ZINC000768439855 627479965 /nfs/dbraw/zinc/47/99/65/627479965.db2.gz NWKBBQNNKSPCHG-GFCCVEGCSA-N 1 1 251.370 3.186 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@H](C)CC2)c(O)cc1C ZINC000768446613 627480708 /nfs/dbraw/zinc/48/07/08/627480708.db2.gz ZDRQIAOYKUFXKL-LBPRGKRZSA-N 1 1 263.381 3.331 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](CCOC)C(CC)CC)c1 ZINC000768600894 627488428 /nfs/dbraw/zinc/48/84/28/627488428.db2.gz FYXVYHYBSXDBPL-UHFFFAOYSA-N 1 1 295.423 3.428 20 10 CGCDMO CC[C@@H](C)C[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000768767178 627497252 /nfs/dbraw/zinc/49/72/52/627497252.db2.gz MBDPSZVDSXTDED-GFCCVEGCSA-N 1 1 252.377 3.370 20 10 CGCDMO CCCN(CCC)c1ccc(C[N@H+]2CCC[C@H]2CO)cc1 ZINC000769073616 627520837 /nfs/dbraw/zinc/52/08/37/627520837.db2.gz JISBYIBKBJTSBM-SFHVURJKSA-N 1 1 290.451 3.270 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000769103318 627522518 /nfs/dbraw/zinc/52/25/18/627522518.db2.gz VOFGYHDYWVFIND-TZMCWYRMSA-N 1 1 261.365 3.165 20 10 CGCDMO CN(C)c1ccc(CN2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC000769189946 627530264 /nfs/dbraw/zinc/53/02/64/627530264.db2.gz YVGDHCBTEWVTCA-UHFFFAOYSA-N 1 1 289.467 3.059 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)C(C2CC2)C2CC2)c(O)c1 ZINC000769192708 627530593 /nfs/dbraw/zinc/53/05/93/627530593.db2.gz VTUBDWLCIGXXIW-UHFFFAOYSA-N 1 1 275.392 3.411 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](N(C)C)C2)cc1 ZINC000769302712 627538186 /nfs/dbraw/zinc/53/81/86/627538186.db2.gz WPXGKOMNSSOVDN-GOSISDBHSA-N 1 1 289.467 3.059 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](N(C)C)C2)cc1 ZINC000769302712 627538189 /nfs/dbraw/zinc/53/81/89/627538189.db2.gz WPXGKOMNSSOVDN-GOSISDBHSA-N 1 1 289.467 3.059 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2CC(C)(C)OCC2(C)C)cc1F ZINC000769445485 627552893 /nfs/dbraw/zinc/55/28/93/627552893.db2.gz JRRSEVKZPSFQDD-UHFFFAOYSA-N 1 1 294.414 3.281 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC(C)(C)OCC2(C)C)cc1F ZINC000769445485 627552894 /nfs/dbraw/zinc/55/28/94/627552894.db2.gz JRRSEVKZPSFQDD-UHFFFAOYSA-N 1 1 294.414 3.281 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](C)C[C@@H]2CC)c1 ZINC000769447740 627553393 /nfs/dbraw/zinc/55/33/93/627553393.db2.gz KHVRSLAIPMZRAS-JSGCOSHPSA-N 1 1 263.381 3.411 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](C)[C@H](C)C2)c1 ZINC000769451555 627554270 /nfs/dbraw/zinc/55/42/70/627554270.db2.gz MXTYEQGCNISLNE-QWHCGFSZSA-N 1 1 263.381 3.269 20 10 CGCDMO CC(C)OCCC[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000769463251 627555588 /nfs/dbraw/zinc/55/55/88/627555588.db2.gz OYTXPVJOTNJLHJ-UHFFFAOYSA-N 1 1 282.403 3.139 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCCc2sccc2C1 ZINC000770511039 627624523 /nfs/dbraw/zinc/62/45/23/627624523.db2.gz WOAQNMKIGAXPDH-UHFFFAOYSA-N 1 1 259.374 3.402 20 10 CGCDMO CCCC(C)(C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771850059 627735872 /nfs/dbraw/zinc/73/58/72/627735872.db2.gz UCTBSXSIWMTDFB-UHFFFAOYSA-N 1 1 289.467 3.107 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H]2CSC)cc1 ZINC000773765963 627913779 /nfs/dbraw/zinc/91/37/79/627913779.db2.gz PGCFYXNMWWWPMO-MRXNPFEDSA-N 1 1 278.465 3.470 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCOC3(CCCC3)C2)cc1 ZINC000773766703 627914000 /nfs/dbraw/zinc/91/40/00/627914000.db2.gz ULSKKSGRZLHDAL-UHFFFAOYSA-N 1 1 288.435 3.288 20 10 CGCDMO CCCCC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774952263 628050734 /nfs/dbraw/zinc/05/07/34/628050734.db2.gz GIOGINQBHVRVOD-LLVKDONJSA-N 1 1 296.367 3.367 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000775136910 628067308 /nfs/dbraw/zinc/06/73/08/628067308.db2.gz ORYGIQMVFIARME-NSHDSACASA-N 1 1 273.298 3.475 20 10 CGCDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1cccc(C)c1O ZINC000775201157 628071793 /nfs/dbraw/zinc/07/17/93/628071793.db2.gz CDTFGTCTBTUAFZ-KRWDZBQOSA-N 1 1 277.408 3.482 20 10 CGCDMO Cc1cccc(C[N@@H+]2CCN(C)c3ccccc3C2)c1O ZINC000775676051 628124059 /nfs/dbraw/zinc/12/40/59/628124059.db2.gz JTZMYCZOWYMXAM-UHFFFAOYSA-N 1 1 282.387 3.153 20 10 CGCDMO Cc1cccc(C[N@@H+]2CCN(C)CC23CCCCC3)c1O ZINC000775734993 628129982 /nfs/dbraw/zinc/12/99/82/628129982.db2.gz FSHFADBJONGOLI-UHFFFAOYSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1ccccc1OCC[N@H+](C)Cc1cc(F)ccc1O ZINC000778995336 628382217 /nfs/dbraw/zinc/38/22/17/628382217.db2.gz VGJVINOROWTZHQ-UHFFFAOYSA-N 1 1 289.350 3.351 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000779023648 628384205 /nfs/dbraw/zinc/38/42/05/628384205.db2.gz VKJFKGIFACBMRV-INIZCTEOSA-N 1 1 253.345 3.209 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](C(C)C)C2)c1O ZINC000779151291 628390576 /nfs/dbraw/zinc/39/05/76/628390576.db2.gz XLKNHURXCQLSOE-CQSZACIVSA-N 1 1 283.799 3.211 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCO[C@@H](C(C)C)C2)c1O ZINC000779151291 628390579 /nfs/dbraw/zinc/39/05/79/628390579.db2.gz XLKNHURXCQLSOE-CQSZACIVSA-N 1 1 283.799 3.211 20 10 CGCDMO CC[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccccc2O)CCO1 ZINC000780756081 628514393 /nfs/dbraw/zinc/51/43/93/628514393.db2.gz BHEXRVNCFNTFKZ-DZGCQCFKSA-N 1 1 263.381 3.029 20 10 CGCDMO C[C@@H]1CC[C@]2(CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000781586250 628576200 /nfs/dbraw/zinc/57/62/00/628576200.db2.gz KIOBZQZLUUOAFE-PXAZEXFGSA-N 1 1 289.375 3.133 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CC[C@H](C)C2)c1 ZINC000783306271 628702027 /nfs/dbraw/zinc/70/20/27/628702027.db2.gz GBPYNBKANDMNIU-GVXVVHGQSA-N 1 1 277.364 3.018 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCc3ncsc3C2)c1 ZINC000783547610 628723662 /nfs/dbraw/zinc/72/36/62/628723662.db2.gz SNMLITHYQJJMFX-UHFFFAOYSA-N 1 1 274.389 3.024 20 10 CGCDMO CC[C@]1(C)C[N@H+](Cc2cc(Cl)cc(C)c2O)CCO1 ZINC000785986748 628906004 /nfs/dbraw/zinc/90/60/04/628906004.db2.gz XFFRQZGCFAHDAQ-OAHLLOKOSA-N 1 1 283.799 3.355 20 10 CGCDMO CC[C@]1(C)C[N@@H+](Cc2cc(Cl)cc(C)c2O)CCO1 ZINC000785986748 628906008 /nfs/dbraw/zinc/90/60/08/628906008.db2.gz XFFRQZGCFAHDAQ-OAHLLOKOSA-N 1 1 283.799 3.355 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](CC[C@@H]2CCCO2)C2CC2)cc1 ZINC000787184441 628999400 /nfs/dbraw/zinc/99/94/00/628999400.db2.gz POZKPVRYFHBCRV-SFHVURJKSA-N 1 1 288.435 3.286 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@@H]1CCC2(CCCC2)O1 ZINC000788494678 629059702 /nfs/dbraw/zinc/05/97/02/629059702.db2.gz REICYSXYLQFXNO-HNNXBMFYSA-N 1 1 275.392 3.316 20 10 CGCDMO CC(C)OCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788742649 629078478 /nfs/dbraw/zinc/07/84/78/629078478.db2.gz XONHUIJIMALUPK-JTQLQIEISA-N 1 1 291.313 3.487 20 10 CGCDMO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788757370 629079545 /nfs/dbraw/zinc/07/95/45/629079545.db2.gz LDNLDKZTKWTVFZ-LPEHRKFASA-N 1 1 291.313 3.485 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000789566946 629145109 /nfs/dbraw/zinc/14/51/09/629145109.db2.gz OZTJOJHOROOKAC-QGZVFWFLSA-N 1 1 275.392 3.012 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)c1ccc(F)cc1O ZINC000790499701 629214160 /nfs/dbraw/zinc/21/41/60/629214160.db2.gz ZAXZQQJDDRQJSB-LRDDRELGSA-N 1 1 294.414 3.302 20 10 CGCDMO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790970438 629244284 /nfs/dbraw/zinc/24/42/84/629244284.db2.gz JDIFKRSORWOTJU-NXEZZACHSA-N 1 1 289.778 3.071 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)[C@H](C)C1 ZINC000862353848 629347347 /nfs/dbraw/zinc/34/73/47/629347347.db2.gz CAGIPUNHJGFAST-DGCLKSJQSA-N 1 1 298.377 3.030 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+]2Cc3ccc(O)cc3C2)c1 ZINC000862449216 629380945 /nfs/dbraw/zinc/38/09/45/629380945.db2.gz CRMOCJGWASCAPY-UHFFFAOYSA-N 1 1 285.343 3.012 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2Cc3ccc(O)cc3C2)c1 ZINC000862449216 629380952 /nfs/dbraw/zinc/38/09/52/629380952.db2.gz CRMOCJGWASCAPY-UHFFFAOYSA-N 1 1 285.343 3.012 20 10 CGCDMO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccns1 ZINC000862539671 629394658 /nfs/dbraw/zinc/39/46/58/629394658.db2.gz PQDYSVPQPBAJPR-ZETCQYMHSA-N 1 1 286.759 3.492 20 10 CGCDMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccns1 ZINC000862539670 629395012 /nfs/dbraw/zinc/39/50/12/629395012.db2.gz PQDYSVPQPBAJPR-SSDOTTSWSA-N 1 1 286.759 3.492 20 10 CGCDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccccc1O ZINC000793232608 629433225 /nfs/dbraw/zinc/43/32/25/629433225.db2.gz ZKWOMNIINIZXDQ-MWLCHTKSSA-N 1 1 259.271 3.165 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)Cc2cnccc2C)c1 ZINC000793336379 629445166 /nfs/dbraw/zinc/44/51/66/629445166.db2.gz KHWKQXQGOBTACI-UHFFFAOYSA-N 1 1 256.349 3.036 20 10 CGCDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)[C@H]1CCC(C)(C)C1 ZINC000793352750 629446705 /nfs/dbraw/zinc/44/67/05/629446705.db2.gz NFESZUAOSKOOQF-LBPRGKRZSA-N 1 1 277.364 3.131 20 10 CGCDMO CC[C@@H]1CC[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000793819664 629503769 /nfs/dbraw/zinc/50/37/69/629503769.db2.gz JAADARFTQNJJOO-CYBMUJFWSA-N 1 1 263.381 3.380 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@H](N3CCCC3)C[C@H]2C)c1 ZINC000795705959 629710569 /nfs/dbraw/zinc/71/05/69/629710569.db2.gz JQVSRQRFADCZHS-NVXWUHKLSA-N 1 1 288.435 3.068 20 10 CGCDMO Cc1cc(C)c(O)c(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000795705959 629710574 /nfs/dbraw/zinc/71/05/74/629710574.db2.gz JQVSRQRFADCZHS-NVXWUHKLSA-N 1 1 288.435 3.068 20 10 CGCDMO Cc1c(CNc2ccc3c(c2)[nH+]cn3C)cccc1[N+](=O)[O-] ZINC000864016049 629727762 /nfs/dbraw/zinc/72/77/62/629727762.db2.gz KSMWSJPWURMSTI-UHFFFAOYSA-N 1 1 296.330 3.402 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC(C)=C(C)C2)c(O)c1 ZINC000796019175 629736339 /nfs/dbraw/zinc/73/63/39/629736339.db2.gz YUVBRJXLQSVDTO-UHFFFAOYSA-N 1 1 261.365 3.333 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H]2CSC[C@H]2C)c1O ZINC000796403457 629776765 /nfs/dbraw/zinc/77/67/65/629776765.db2.gz RAHHJPMDTQWCNI-OQPBUACISA-N 1 1 299.823 3.089 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1OC)c1ccc(F)cc1O ZINC000796856709 629849431 /nfs/dbraw/zinc/84/94/31/629849431.db2.gz WSLFGFFDMAMPND-PJODQICGSA-N 1 1 281.371 3.387 20 10 CGCDMO Cn1nccc1CC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000801919348 630366511 /nfs/dbraw/zinc/36/65/11/630366511.db2.gz DJAQLRKNZIMDIG-UHFFFAOYSA-N 1 1 299.418 3.113 20 10 CGCDMO CC[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccc(F)cc1O ZINC000806169778 630552830 /nfs/dbraw/zinc/55/28/30/630552830.db2.gz QKKRWCKHFYNWMW-DCAQKATOSA-N 1 1 259.271 3.226 20 10 CGCDMO CCCC[N@H+](C)C[C@H](C)NCc1cc(OCC)ccc1O ZINC000808454289 630646952 /nfs/dbraw/zinc/64/69/52/630646952.db2.gz HRODFLCLJUKURR-AWEZNQCLSA-N 1 1 294.439 3.001 20 10 CGCDMO CCCC[N@@H+](C)C[C@H](C)NCc1cc(OCC)ccc1O ZINC000808454289 630646953 /nfs/dbraw/zinc/64/69/53/630646953.db2.gz HRODFLCLJUKURR-AWEZNQCLSA-N 1 1 294.439 3.001 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000809729088 630793728 /nfs/dbraw/zinc/79/37/28/630793728.db2.gz QINJPNTZXKFJMY-OAHLLOKOSA-N 1 1 272.323 3.263 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000809729088 630793738 /nfs/dbraw/zinc/79/37/38/630793738.db2.gz QINJPNTZXKFJMY-OAHLLOKOSA-N 1 1 272.323 3.263 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000811513468 631080067 /nfs/dbraw/zinc/08/00/67/631080067.db2.gz IPBPRFHVUWYAKN-MRXNPFEDSA-N 1 1 273.376 3.165 20 10 CGCDMO COCC1(C[N@@H+](C)Cc2ccc(N(C)C)cc2)CCC1 ZINC000812822605 631320132 /nfs/dbraw/zinc/32/01/32/631320132.db2.gz AXYYALKTOVSDJW-UHFFFAOYSA-N 1 1 276.424 3.001 20 10 CGCDMO CCc1cc(C[N@H+]2CCO[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000813170604 631377102 /nfs/dbraw/zinc/37/71/02/631377102.db2.gz IURQCJQOOJDSQX-CYBMUJFWSA-N 1 1 291.435 3.473 20 10 CGCDMO CC(C)[C@H](O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000814627571 631613130 /nfs/dbraw/zinc/61/31/30/631613130.db2.gz MHUPHVJSMJNDBQ-QGZVFWFLSA-N 1 1 289.375 3.004 20 10 CGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815105563 631717271 /nfs/dbraw/zinc/71/72/71/631717271.db2.gz GYUGJFDIXPJYNX-SFHVURJKSA-N 1 1 290.451 3.452 20 10 CGCDMO Cc1cc(C[N@H+](C(C)C)[C@@H]2CCOC2)ccc1N(C)C ZINC000815119242 631721734 /nfs/dbraw/zinc/72/17/34/631721734.db2.gz RGEURVPXORLBDY-MRXNPFEDSA-N 1 1 276.424 3.060 20 10 CGCDMO C[C@@H]([NH2+]C[C@H](CO)C1CCCCC1)c1ccc(F)cc1O ZINC000815648015 631812913 /nfs/dbraw/zinc/81/29/13/631812913.db2.gz BROZZJWETGHGJR-TZMCWYRMSA-N 1 1 295.398 3.371 20 10 CGCDMO CC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H]1CCCO1 ZINC000816559938 632012662 /nfs/dbraw/zinc/01/26/62/632012662.db2.gz ZTEKAAIYBAMIGA-GXTWGEPZSA-N 1 1 287.762 3.232 20 10 CGCDMO C[N@@H+](CCc1cnccn1)Cc1ccc2ccccc2c1O ZINC000816565607 632014450 /nfs/dbraw/zinc/01/44/50/632014450.db2.gz VJXVUPNEAIBNFK-UHFFFAOYSA-N 1 1 293.370 3.010 20 10 CGCDMO CC[N@@H+](Cc1cc(Cl)c(F)cc1O)C[C@H](C)OC ZINC000816617106 632025093 /nfs/dbraw/zinc/02/50/93/632025093.db2.gz OZVDTJJZTCMUEC-VIFPVBQESA-N 1 1 275.751 3.042 20 10 CGCDMO CC[N@H+](Cc1cc(Cl)c(F)cc1O)C[C@H](C)OC ZINC000816617106 632025098 /nfs/dbraw/zinc/02/50/98/632025098.db2.gz OZVDTJJZTCMUEC-VIFPVBQESA-N 1 1 275.751 3.042 20 10 CGCDMO CC[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000817415245 632144632 /nfs/dbraw/zinc/14/46/32/632144632.db2.gz PYZVXVVESZRBFS-MNOVXSKESA-N 1 1 287.762 3.232 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](C)C2CC(OC(C)(C)C)C2)c1 ZINC000817415984 632146525 /nfs/dbraw/zinc/14/65/25/632146525.db2.gz FVQYPNCTTDEDLV-UHFFFAOYSA-N 1 1 277.408 3.479 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc2ccccc2c1[O-] ZINC000817968252 632261751 /nfs/dbraw/zinc/26/17/51/632261751.db2.gz IFJYATBBZBZQRS-ZFWWWQNUSA-N 1 1 284.403 3.338 20 10 CGCDMO CC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000817969194 632263171 /nfs/dbraw/zinc/26/31/71/632263171.db2.gz RNNAAADUOZYDRU-GXTWGEPZSA-N 1 1 282.815 3.228 20 10 CGCDMO CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817971145 632264047 /nfs/dbraw/zinc/26/40/47/632264047.db2.gz AZJROHCCHPILLH-BDAKNGLRSA-N 1 1 291.222 3.348 20 10 CGCDMO C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc2ccccc2c1[O-] ZINC000817983732 632273392 /nfs/dbraw/zinc/27/33/92/632273392.db2.gz JPDCZUJJFUNHIS-CYBMUJFWSA-N 1 1 284.403 3.338 20 10 CGCDMO C[C@@H]1CC2(C[N@@H+]1Cc1cc(Cl)ccc1[O-])CC[NH2+]CC2 ZINC000818431990 632318319 /nfs/dbraw/zinc/31/83/19/632318319.db2.gz ZUQNBEITDYEYTA-GFCCVEGCSA-N 1 1 294.826 3.010 20 10 CGCDMO C[C@@H]1CC2(C[N@H+]1Cc1cc(Cl)ccc1[O-])CC[NH2+]CC2 ZINC000818431990 632318321 /nfs/dbraw/zinc/31/83/21/632318321.db2.gz ZUQNBEITDYEYTA-GFCCVEGCSA-N 1 1 294.826 3.010 20 10 CGCDMO COC[C@@]1(C)CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000824583189 633262451 /nfs/dbraw/zinc/26/24/51/633262451.db2.gz IXGVOMLWRZHPRZ-SFHVURJKSA-N 1 1 285.387 3.404 20 10 CGCDMO CCC[N@@H+](Cc1c(C2CC2)cnn1C)Cc1ccccc1O ZINC000824650797 633268334 /nfs/dbraw/zinc/26/83/34/633268334.db2.gz WWKOQBJWJQVNAD-UHFFFAOYSA-N 1 1 299.418 3.415 20 10 CGCDMO CO[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@@H]1C ZINC000824820250 633296481 /nfs/dbraw/zinc/29/64/81/633296481.db2.gz BXDNWWGNODCJBE-XPTSAGLGSA-N 1 1 287.762 3.042 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@@H]1C ZINC000824820250 633296482 /nfs/dbraw/zinc/29/64/82/633296482.db2.gz BXDNWWGNODCJBE-XPTSAGLGSA-N 1 1 287.762 3.042 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC[C@H](OC)C(C)(C)C2)c(O)c1 ZINC000824821271 633296507 /nfs/dbraw/zinc/29/65/07/633296507.db2.gz XJAJNQGJMUBTAX-INIZCTEOSA-N 1 1 293.407 3.038 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000824942087 633308781 /nfs/dbraw/zinc/30/87/81/633308781.db2.gz VYOZGIBFWYDXSF-DYVFJYSZSA-N 1 1 273.376 3.021 20 10 CGCDMO COC[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)CC1 ZINC000825321900 633344687 /nfs/dbraw/zinc/34/46/87/633344687.db2.gz QKXBKAOPRANHAZ-INIZCTEOSA-N 1 1 276.424 3.001 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCc2ccc(C)cc2C1 ZINC000826911156 633443431 /nfs/dbraw/zinc/44/34/31/633443431.db2.gz UMJTVPFVFZHHTL-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)cc1 ZINC000827281018 633477971 /nfs/dbraw/zinc/47/79/71/633477971.db2.gz HVOOUMKCEGOQKM-AEFFLSMTSA-N 1 1 288.435 3.001 20 10 CGCDMO CCc1cccc(C[N@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)c1O ZINC000827958154 633540217 /nfs/dbraw/zinc/54/02/17/633540217.db2.gz YYWWKRXFPICEEW-ZBEGNZNMSA-N 1 1 299.361 3.199 20 10 CGCDMO CCc1cccc(C[N@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)c1O ZINC000827958150 633540416 /nfs/dbraw/zinc/54/04/16/633540416.db2.gz YYWWKRXFPICEEW-BZNIZROVSA-N 1 1 299.361 3.199 20 10 CGCDMO Cc1cc(C[N@H+]2CCOC[C@H]2C2CCC2)ccc1N(C)C ZINC000830213352 633840117 /nfs/dbraw/zinc/84/01/17/633840117.db2.gz CEHZYEQFKSNIHH-SFHVURJKSA-N 1 1 288.435 3.062 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)cc1 ZINC000830740377 633882851 /nfs/dbraw/zinc/88/28/51/633882851.db2.gz SITXUBWTWRFFMK-OAHLLOKOSA-N 1 1 288.435 3.286 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000832348916 634051775 /nfs/dbraw/zinc/05/17/75/634051775.db2.gz UDGBSULTDXHKLC-GOSISDBHSA-N 1 1 288.435 3.145 20 10 CGCDMO C[C@H]([NH2+]CCC(C)(F)F)c1cc(F)cc(F)c1O ZINC000834818674 634247008 /nfs/dbraw/zinc/24/70/08/634247008.db2.gz NQZAVWIMQJSSSN-ZETCQYMHSA-N 1 1 265.250 3.366 20 10 CGCDMO CCC[C@H](C[NH2+][C@H](CC)c1ccc(F)cc1O)OC ZINC000834839950 634253799 /nfs/dbraw/zinc/25/37/99/634253799.db2.gz GCVIKEOTEHCEEB-TZMCWYRMSA-N 1 1 269.360 3.387 20 10 CGCDMO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000834897281 634274153 /nfs/dbraw/zinc/27/41/53/634274153.db2.gz ZNRCHWZKFYQEQG-GHMZBOCLSA-N 1 1 277.343 3.160 20 10 CGCDMO CC[C@H]([NH2+]CCC[C@H]1CCOC1)c1ccc(F)cc1O ZINC000834905107 634280811 /nfs/dbraw/zinc/28/08/11/634280811.db2.gz QVSMKBZCDKPCKG-WFASDCNBSA-N 1 1 281.371 3.389 20 10 CGCDMO C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)c1cc(F)cc(F)c1O ZINC000834905112 634281351 /nfs/dbraw/zinc/28/13/51/634281351.db2.gz SSFSSJSBSXSXNB-SECBINFHSA-N 1 1 287.350 3.118 20 10 CGCDMO CC[C@H]([NH2+]Cc1ncccc1OC)c1ccc(F)cc1O ZINC000834905688 634282363 /nfs/dbraw/zinc/28/23/63/634282363.db2.gz JTWHNKCMGXYFFX-ZDUSSCGKSA-N 1 1 290.338 3.176 20 10 CGCDMO C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cc(Cl)ccc1[O-] ZINC000873245089 634299121 /nfs/dbraw/zinc/29/91/21/634299121.db2.gz PHBFXVCCEDMHJF-AAEUAGOBSA-N 1 1 296.842 3.474 20 10 CGCDMO CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)C[C@@H]1CCOC1 ZINC000835026235 634325546 /nfs/dbraw/zinc/32/55/46/634325546.db2.gz SMAFOAWAQPZWKB-RTRPANQVSA-N 1 1 288.435 3.124 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)Cc2cccnc2)cc1 ZINC000835044530 634331269 /nfs/dbraw/zinc/33/12/69/634331269.db2.gz LKKRXNXWZDSLRN-FNORWQNLSA-N 1 1 281.403 3.293 20 10 CGCDMO C[C@H]1CSCC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835048367 634334208 /nfs/dbraw/zinc/33/42/08/634334208.db2.gz HNWMBUSBJDFSBG-FOSCPCJNSA-N 1 1 290.476 3.451 20 10 CGCDMO CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CCC[NH+](C)C ZINC000835054149 634338384 /nfs/dbraw/zinc/33/83/84/634338384.db2.gz RLCCEBQXGVDCRK-VQHVLOKHSA-N 1 1 289.467 3.039 20 10 CGCDMO CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)CCC[NH+](C)C ZINC000835054149 634338388 /nfs/dbraw/zinc/33/83/88/634338388.db2.gz RLCCEBQXGVDCRK-VQHVLOKHSA-N 1 1 289.467 3.039 20 10 CGCDMO CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CCCN(C)C ZINC000835054149 634338389 /nfs/dbraw/zinc/33/83/89/634338389.db2.gz RLCCEBQXGVDCRK-VQHVLOKHSA-N 1 1 289.467 3.039 20 10 CGCDMO CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)CCCN(C)C ZINC000835054149 634338391 /nfs/dbraw/zinc/33/83/91/634338391.db2.gz RLCCEBQXGVDCRK-VQHVLOKHSA-N 1 1 289.467 3.039 20 10 CGCDMO C[N@H+](CCCC[NH2+]Cc1c([O-])cccc1Cl)C1CC1 ZINC000835062404 634343427 /nfs/dbraw/zinc/34/34/27/634343427.db2.gz ONTIJVUEBHBQDX-UHFFFAOYSA-N 1 1 282.815 3.010 20 10 CGCDMO C[N@@H+](CCCC[NH2+]Cc1c([O-])cccc1Cl)C1CC1 ZINC000835062404 634343434 /nfs/dbraw/zinc/34/34/34/634343434.db2.gz ONTIJVUEBHBQDX-UHFFFAOYSA-N 1 1 282.815 3.010 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@@H]1CCN(c2ccccc2)C1 ZINC000876616368 634868524 /nfs/dbraw/zinc/86/85/24/634868524.db2.gz XQLGKGRAJDEFHB-INIZCTEOSA-N 1 1 296.414 3.351 20 10 CGCDMO CC[N@@H+](CCc1ccccn1)Cc1c(C)cccc1O ZINC000876634809 634871832 /nfs/dbraw/zinc/87/18/32/634871832.db2.gz CGYZFUVGPPNXMB-UHFFFAOYSA-N 1 1 270.376 3.160 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000876643763 634874813 /nfs/dbraw/zinc/87/48/13/634874813.db2.gz MHAZFNCGQZXACA-HNNXBMFYSA-N 1 1 289.400 3.336 20 10 CGCDMO CN(C)c1ccc(C[NH2+]Cc2nc(Cl)cs2)cc1F ZINC000876989360 634945704 /nfs/dbraw/zinc/94/57/04/634945704.db2.gz UBIGLOAPNSUUGO-UHFFFAOYSA-N 1 1 299.802 3.291 20 10 CGCDMO C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc(F)cc(F)c1[O-] ZINC000840809275 635055476 /nfs/dbraw/zinc/05/54/76/635055476.db2.gz HVYTWPCZWBPYEA-VXGBXAGGSA-N 1 1 298.377 3.053 20 10 CGCDMO CC[C@H]([NH2+]C[C@H](C)CCOC)c1ccc(F)cc1O ZINC000840836229 635061042 /nfs/dbraw/zinc/06/10/42/635061042.db2.gz WCFGSVISOKFNNA-RISCZKNCSA-N 1 1 269.360 3.245 20 10 CGCDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(C)cc1O ZINC000877531517 635074778 /nfs/dbraw/zinc/07/47/78/635074778.db2.gz OHSAJGOLQZZSJR-ZDUSSCGKSA-N 1 1 253.411 3.274 20 10 CGCDMO Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(O)c1 ZINC000877542109 635080583 /nfs/dbraw/zinc/08/05/83/635080583.db2.gz VNQMPRNUSODUEE-DLBZAZTESA-N 1 1 287.403 3.234 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c(Cl)c1 ZINC000840916229 635080882 /nfs/dbraw/zinc/08/08/82/635080882.db2.gz HXUGPPRGWJMQBT-STQMWFEESA-N 1 1 295.810 3.212 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)C[C@@H]2CCCCO2)c(Cl)c1 ZINC000840911574 635081204 /nfs/dbraw/zinc/08/12/04/635081204.db2.gz HYSONHNDCUIPNZ-LBPRGKRZSA-N 1 1 283.799 3.355 20 10 CGCDMO CO[C@@H]1C[N@@H+](Cc2c(O)cc(C)cc2Cl)CC[C@@H]1C ZINC000840940128 635087322 /nfs/dbraw/zinc/08/73/22/635087322.db2.gz UWZFFLCAGZHEMN-XHDPSFHLSA-N 1 1 283.799 3.211 20 10 CGCDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840939435 635087449 /nfs/dbraw/zinc/08/74/49/635087449.db2.gz YBDZQWPISOUDDP-MRXNPFEDSA-N 1 1 290.451 3.310 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C)CC1(C)C ZINC000840951316 635090932 /nfs/dbraw/zinc/09/09/32/635090932.db2.gz WFLHWKVXQIYOPY-KRWDZBQOSA-N 1 1 290.451 3.308 20 10 CGCDMO CN(C)c1ccc(/C=C/CN[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000841088757 635119867 /nfs/dbraw/zinc/11/98/67/635119867.db2.gz CBDLEIABCQFALN-RCFWFJCLSA-N 1 1 299.462 3.030 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000877674886 635142433 /nfs/dbraw/zinc/14/24/33/635142433.db2.gz WKEFTADYIZTCKA-QZTJIDSGSA-N 1 1 297.398 3.399 20 10 CGCDMO COc1cccc(C)c1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877703069 635155165 /nfs/dbraw/zinc/15/51/65/635155165.db2.gz PYLDLFUTWAJSOD-UHFFFAOYSA-N 1 1 269.344 3.225 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)cc1F ZINC000877737513 635171144 /nfs/dbraw/zinc/17/11/44/635171144.db2.gz GSRIGGIGHLJAPT-ZIAGYGMSSA-N 1 1 294.439 3.077 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877737326 635171557 /nfs/dbraw/zinc/17/15/57/635171557.db2.gz FMJCLIUINTUSIS-CMPLNLGQSA-N 1 1 283.824 3.231 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000877805500 635209186 /nfs/dbraw/zinc/20/91/86/635209186.db2.gz KBRDNONUXUYRJV-ZSGNIPIJSA-N 1 1 299.773 3.232 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c1O ZINC000841690109 635212155 /nfs/dbraw/zinc/21/21/55/635212155.db2.gz MBGCKHCKOMFNHT-AVGNSLFASA-N 1 1 263.381 3.186 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCCOCC1)c1ccc(Cl)cc1O ZINC000841753037 635227182 /nfs/dbraw/zinc/22/71/82/635227182.db2.gz XIUZLUZGKCQZKJ-JQWIXIFHSA-N 1 1 269.772 3.265 20 10 CGCDMO C[C@H]([NH2+]CC[C@H]1CCOC1)c1ccc(Cl)cc1O ZINC000841752725 635227194 /nfs/dbraw/zinc/22/71/94/635227194.db2.gz GOFOLYLSWSNWFW-QWRGUYRKSA-N 1 1 269.772 3.123 20 10 CGCDMO COCC[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841754968 635228965 /nfs/dbraw/zinc/22/89/65/635228965.db2.gz DYKIXSCOIIDVEP-WDEREUQCSA-N 1 1 271.788 3.369 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@@H]1CCC(C)(C)CO1 ZINC000878242329 635429032 /nfs/dbraw/zinc/42/90/32/635429032.db2.gz OTTHNDHRDCCOEZ-AWEZNQCLSA-N 1 1 263.381 3.029 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@@H]1CC(C)(C)OC1(C)C ZINC000878242592 635429468 /nfs/dbraw/zinc/42/94/68/635429468.db2.gz SLVHCAQMRJGKIL-AWEZNQCLSA-N 1 1 277.408 3.418 20 10 CGCDMO C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1cccc(C(F)(F)F)c1O ZINC000842926734 635513092 /nfs/dbraw/zinc/51/30/92/635513092.db2.gz BFSGBHUFTFUJNC-KXUCPTDWSA-N 1 1 289.297 3.239 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)ccc1N(C)C ZINC000878876470 635648878 /nfs/dbraw/zinc/64/88/78/635648878.db2.gz NPZKGHHCJAXKFH-KRWDZBQOSA-N 1 1 284.407 3.121 20 10 CGCDMO CC[N@H+](CCSC)Cc1c(O)ccc(Cl)c1F ZINC000843437737 635676330 /nfs/dbraw/zinc/67/63/30/635676330.db2.gz VQMGATIGHUVEJO-UHFFFAOYSA-N 1 1 277.792 3.370 20 10 CGCDMO CC[N@@H+](CCSC)Cc1c(O)ccc(Cl)c1F ZINC000843437737 635676333 /nfs/dbraw/zinc/67/63/33/635676333.db2.gz VQMGATIGHUVEJO-UHFFFAOYSA-N 1 1 277.792 3.370 20 10 CGCDMO CC[NH+](CC)[C@H](C)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000127529162 635711754 /nfs/dbraw/zinc/71/17/54/635711754.db2.gz DTCPWIJNCAVHCQ-HUUCEWRRSA-N 1 1 277.456 3.134 20 10 CGCDMO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cc(OC)c(C)cc1O ZINC000844723235 635957320 /nfs/dbraw/zinc/95/73/20/635957320.db2.gz LPSHWNSGDNHFKG-AWEZNQCLSA-N 1 1 293.407 3.099 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844753531 635959527 /nfs/dbraw/zinc/95/95/27/635959527.db2.gz YTBQRHSKLNGFNU-OKILXGFUSA-N 1 1 275.298 3.242 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](c3nccs3)C2)cc1 ZINC000880321375 635974266 /nfs/dbraw/zinc/97/42/66/635974266.db2.gz SHJNXFHTYIYIEC-CQSZACIVSA-N 1 1 287.432 3.199 20 10 CGCDMO CC1(C)CCC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000211495566 636091506 /nfs/dbraw/zinc/09/15/06/636091506.db2.gz KSENUDXQMRVUEH-UHFFFAOYSA-N 1 1 277.364 3.133 20 10 CGCDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000129011432 636110907 /nfs/dbraw/zinc/11/09/07/636110907.db2.gz OFUKTZNDIHHKNW-GFCCVEGCSA-N 1 1 284.444 3.465 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1ccc(F)cc1O ZINC000846186745 636156162 /nfs/dbraw/zinc/15/61/62/636156162.db2.gz FTJPVROQYJDRDB-DIFFPNOSSA-N 1 1 293.382 3.387 20 10 CGCDMO CC(C)C[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000129617610 636322786 /nfs/dbraw/zinc/32/27/86/636322786.db2.gz SJRKOPWOYNJNDC-CYBMUJFWSA-N 1 1 277.364 3.131 20 10 CGCDMO Cc1ccc[nH+]c1NCc1cccc(Br)c1O ZINC000130947258 636535018 /nfs/dbraw/zinc/53/50/18/636535018.db2.gz GQEWIQROLKZGGR-UHFFFAOYSA-N 1 1 293.164 3.470 20 10 CGCDMO CC1(C)C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C(C)(C)O1 ZINC000883084468 636535959 /nfs/dbraw/zinc/53/59/59/636535959.db2.gz SAQGRJDQGKFDKU-GFCCVEGCSA-N 1 1 285.334 3.106 20 10 CGCDMO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)c(Cl)n1 ZINC000883291961 636654331 /nfs/dbraw/zinc/65/43/31/636654331.db2.gz ZBJJXSTYDLRNEN-UHFFFAOYSA-N 1 1 288.778 3.268 20 10 CGCDMO CCc1cccc(C[N@H+]2CCS[C@H](C)[C@@H]2C)c1O ZINC000848887297 636675175 /nfs/dbraw/zinc/67/51/75/636675175.db2.gz SFWKBQDLQJZGLK-NWDGAFQWSA-N 1 1 265.422 3.280 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@H]2CSC)c1O ZINC000848890813 636677703 /nfs/dbraw/zinc/67/77/03/636677703.db2.gz VBINCRPAGACNEY-AWEZNQCLSA-N 1 1 265.422 3.282 20 10 CGCDMO CCc1cccc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1O ZINC000848912876 636687154 /nfs/dbraw/zinc/68/71/54/636687154.db2.gz LEZSKIJSSSTVMM-NVXWUHKLSA-N 1 1 289.419 3.344 20 10 CGCDMO CCc1cccc(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)c1O ZINC000848920060 636691005 /nfs/dbraw/zinc/69/10/05/636691005.db2.gz WSCUNVJLNDWFBJ-CYBMUJFWSA-N 1 1 275.392 3.098 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1ccc(F)cc1F ZINC000084862576 636767818 /nfs/dbraw/zinc/76/78/18/636767818.db2.gz REYXZGRILVXEJE-UHFFFAOYSA-N 1 1 263.287 3.302 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H](C)C2CC2)c1 ZINC000134748866 637036635 /nfs/dbraw/zinc/03/66/35/637036635.db2.gz JSYIMTDAKOYGFZ-SECBINFHSA-N 1 1 284.197 3.351 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000884482710 637041331 /nfs/dbraw/zinc/04/13/31/637041331.db2.gz GSJCFEXGQLQWOP-HOCLYGCPSA-N 1 1 275.392 3.010 20 10 CGCDMO C[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1ccc(F)cc1O ZINC000850526060 637105329 /nfs/dbraw/zinc/10/53/29/637105329.db2.gz AAAOBMUNSCPRGZ-GLZQIGESSA-N 1 1 287.334 3.360 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)[C@@H](C)c1nnc(CC)[nH]1 ZINC000851792915 637504678 /nfs/dbraw/zinc/50/46/78/637504678.db2.gz UITPMUNOGACFOX-LBPRGKRZSA-N 1 1 288.395 3.046 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)c1nnc(CC)[nH]1 ZINC000851792915 637504684 /nfs/dbraw/zinc/50/46/84/637504684.db2.gz UITPMUNOGACFOX-LBPRGKRZSA-N 1 1 288.395 3.046 20 10 CGCDMO C[C@@H]([NH2+]CCCOCC(F)(F)F)c1c(O)cccc1F ZINC000886501259 637543613 /nfs/dbraw/zinc/54/36/13/637543613.db2.gz CUQPFNSFYBWKSU-SECBINFHSA-N 1 1 295.276 3.151 20 10 CGCDMO C[C@@H]([NH2+]CCc1ccc(O)cc1)c1c(O)cccc1F ZINC000886513097 637546822 /nfs/dbraw/zinc/54/68/22/637546822.db2.gz TXAKYRZQTMWUJJ-LLVKDONJSA-N 1 1 275.323 3.130 20 10 CGCDMO Cc1nc(C)c(C[NH2+][C@@H](C)c2c(O)cccc2F)s1 ZINC000886532233 637557079 /nfs/dbraw/zinc/55/70/79/637557079.db2.gz GHGWESNBOBQEMF-VIFPVBQESA-N 1 1 280.368 3.455 20 10 CGCDMO C[C@@H]([NH2+]CCOCc1ccccc1)c1c(O)cccc1F ZINC000886534539 637559529 /nfs/dbraw/zinc/55/95/29/637559529.db2.gz KGPZQHRLRFBNNS-CYBMUJFWSA-N 1 1 289.350 3.399 20 10 CGCDMO C[C@@H]([NH2+]C[C@]1(C)CCCS1)c1c(O)cccc1F ZINC000886538507 637562952 /nfs/dbraw/zinc/56/29/52/637562952.db2.gz JFEHGOZDGFKVCD-YGRLFVJLSA-N 1 1 269.385 3.468 20 10 CGCDMO C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1c(O)cccc1F ZINC000886547282 637574705 /nfs/dbraw/zinc/57/47/05/637574705.db2.gz IMWMFDXNLYQMAU-QMTHXVAHSA-N 1 1 293.313 3.055 20 10 CGCDMO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2c(O)cccc2F)[C@@H]1SC ZINC000886631867 637619253 /nfs/dbraw/zinc/61/92/53/637619253.db2.gz YFMWDQZIGAZLPO-YYWQGFNFSA-N 1 1 299.411 3.091 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1c(O)cccc1F ZINC000886649588 637629648 /nfs/dbraw/zinc/62/96/48/637629648.db2.gz DRNMDCNONDBXLL-ASHKBJFXSA-N 1 1 279.355 3.140 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](C)CC2)c1O ZINC000110806762 637702879 /nfs/dbraw/zinc/70/28/79/637702879.db2.gz VVSNNLHECGCTCD-LLVKDONJSA-N 1 1 279.355 3.356 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](C)CC2)c1O ZINC000110806762 637702884 /nfs/dbraw/zinc/70/28/84/637702884.db2.gz VVSNNLHECGCTCD-LLVKDONJSA-N 1 1 279.355 3.356 20 10 CGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000853577684 637869087 /nfs/dbraw/zinc/86/90/87/637869087.db2.gz IIBOBSPNHNYLBF-RYUDHWBXSA-N 1 1 275.392 3.237 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)NCC2([NH3+])CCCC2)cc1 ZINC000854222610 638025915 /nfs/dbraw/zinc/02/59/15/638025915.db2.gz IDPLXUCQUFGNHA-CQSZACIVSA-N 1 1 275.440 3.065 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(Cl)ccc1[O-] ZINC000858490441 638740554 /nfs/dbraw/zinc/74/05/54/638740554.db2.gz HJQOQOXKQHKBRV-QWHCGFSZSA-N 1 1 296.842 3.428 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(Cl)ccc1[O-] ZINC000858490441 638740560 /nfs/dbraw/zinc/74/05/60/638740560.db2.gz HJQOQOXKQHKBRV-QWHCGFSZSA-N 1 1 296.842 3.428 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H](C)C1(F)F ZINC000859414526 639138523 /nfs/dbraw/zinc/13/85/23/639138523.db2.gz HXNFEUQUPNMWBE-BETUJISGSA-N 1 1 282.378 3.476 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)OC(C)(C)C ZINC000076074246 640173164 /nfs/dbraw/zinc/17/31/64/640173164.db2.gz ZENIXDDPHVIVBK-CYBMUJFWSA-N 1 1 293.407 3.334 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]([C@@H](C)C2CC2)C2CC2)c1O ZINC000079399284 640399611 /nfs/dbraw/zinc/39/96/11/640399611.db2.gz ZTDBNQARYBRPRA-JTQLQIEISA-N 1 1 291.366 3.497 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]([C@@H](C)C2CC2)C2CC2)c1O ZINC000079399284 640399617 /nfs/dbraw/zinc/39/96/17/640399617.db2.gz ZTDBNQARYBRPRA-JTQLQIEISA-N 1 1 291.366 3.497 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cc(Cl)cn2C)cc1 ZINC000091930509 640727525 /nfs/dbraw/zinc/72/75/25/640727525.db2.gz YMRCXSFHDDTVEA-UHFFFAOYSA-N 1 1 291.826 3.377 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2CN2CCCCC2)c1 ZINC000092219088 640731818 /nfs/dbraw/zinc/73/18/18/640731818.db2.gz RLPKPCPFNQUZDC-KRWDZBQOSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1ccc(O)c(CN2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000092219088 640731825 /nfs/dbraw/zinc/73/18/25/640731825.db2.gz RLPKPCPFNQUZDC-KRWDZBQOSA-N 1 1 288.435 3.151 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCOCC23CCC3)cc1 ZINC000093510686 640774405 /nfs/dbraw/zinc/77/44/05/640774405.db2.gz PETIZMJCLJDERN-UHFFFAOYSA-N 1 1 288.435 3.288 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCS[C@@H](C(C)C)C2)c1 ZINC000093869292 640783861 /nfs/dbraw/zinc/78/38/61/640783861.db2.gz NIGDZPMLCQDJLA-OAHLLOKOSA-N 1 1 265.422 3.274 20 10 CGCDMO CCc1cc(NCc2c(C)cc(C)cc2O)nc(C)[nH+]1 ZINC001160810531 806305696 /nfs/dbraw/zinc/30/56/96/806305696.db2.gz RYWFAXOLHZPDAU-UHFFFAOYSA-N 1 1 271.364 3.282 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccsc2)cc1 ZINC000128501812 799018784 /nfs/dbraw/zinc/01/87/84/799018784.db2.gz RQXZRJYXIQMOMD-UHFFFAOYSA-N 1 1 260.406 3.446 20 10 CGCDMO CC(C)OCCC[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000382823233 799398769 /nfs/dbraw/zinc/39/87/69/799398769.db2.gz YYEBDYTWSMKCMX-UHFFFAOYSA-N 1 1 271.788 3.293 20 10 CGCDMO CC[C@H](C)[N@@H+](C)Cc1ccc(Br)cc1O ZINC000691734008 799786818 /nfs/dbraw/zinc/78/68/18/799786818.db2.gz LZCWWXRGJWDXFS-VIFPVBQESA-N 1 1 272.186 3.385 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@H](C)C2)c1O ZINC000703271376 799922163 /nfs/dbraw/zinc/92/21/63/799922163.db2.gz CNAQBLNHZUNBQI-NSHDSACASA-N 1 1 279.355 3.356 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@H](C)C2)c1O ZINC000703271376 799922168 /nfs/dbraw/zinc/92/21/68/799922168.db2.gz CNAQBLNHZUNBQI-NSHDSACASA-N 1 1 279.355 3.356 20 10 CGCDMO CCCO[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000706217050 799959592 /nfs/dbraw/zinc/95/95/92/799959592.db2.gz QAHOBPHRYXRJRB-LLVKDONJSA-N 1 1 269.772 3.047 20 10 CGCDMO CC1(C)CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708421451 799989036 /nfs/dbraw/zinc/98/90/36/799989036.db2.gz GFJVPELSLWENLT-UHFFFAOYSA-N 1 1 255.308 3.292 20 10 CGCDMO CC1(C)CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708421451 799989039 /nfs/dbraw/zinc/98/90/39/799989039.db2.gz GFJVPELSLWENLT-UHFFFAOYSA-N 1 1 255.308 3.292 20 10 CGCDMO CC1(C)CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708421451 799989042 /nfs/dbraw/zinc/98/90/42/799989042.db2.gz GFJVPELSLWENLT-UHFFFAOYSA-N 1 1 255.308 3.292 20 10 CGCDMO CCC[C@@H]1CCC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000708478713 799989993 /nfs/dbraw/zinc/98/99/93/799989993.db2.gz FPLRRMGPMHZDCP-CYBMUJFWSA-N 1 1 263.381 3.413 20 10 CGCDMO C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)CC(F)(F)F ZINC000708486978 799990165 /nfs/dbraw/zinc/99/01/65/799990165.db2.gz UKKLLKPGNIAEOG-SSDOTTSWSA-N 1 1 283.240 3.349 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000716041367 800162096 /nfs/dbraw/zinc/16/20/96/800162096.db2.gz XPRCZZCAAQMLDW-MVCUKOFQSA-N 1 1 299.386 3.434 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCO[C@H](C3CCC3)C2)c1 ZINC000840174727 800497305 /nfs/dbraw/zinc/49/73/05/800497305.db2.gz BXBCXZVBQRYISH-INIZCTEOSA-N 1 1 275.392 3.010 20 10 CGCDMO C[C@@H](Cc1ccncc1)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001256748577 806971040 /nfs/dbraw/zinc/97/10/40/806971040.db2.gz NRDZZIUKBYSXBQ-HNNXBMFYSA-N 1 1 283.419 3.211 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@H](F)C2)c1 ZINC001118177424 802534244 /nfs/dbraw/zinc/53/42/44/802534244.db2.gz RAOBCASOJQOZBC-DRZSPHRISA-N 1 1 295.354 3.110 20 10 CGCDMO Cn1ccc(-c2ccc(-c3[nH+]ccc4c3ccn4C)cn2)n1 ZINC001245198747 803661769 /nfs/dbraw/zinc/66/17/69/803661769.db2.gz DFKHETIECBLTOI-UHFFFAOYSA-N 1 1 289.342 3.036 20 10 CGCDMO CC[N@@H+](Cc1cncc(Cl)c1)Cc1ccccc1O ZINC001136996462 803668891 /nfs/dbraw/zinc/66/88/91/803668891.db2.gz JLPMBPGBRKZTAQ-UHFFFAOYSA-N 1 1 276.767 3.463 20 10 CGCDMO C[N@@H+](CC/C=C/c1cccnc1)Cc1c([O-])cccc1F ZINC001137840065 803779372 /nfs/dbraw/zinc/77/93/72/803779372.db2.gz QQGFTOWALZHCGI-QHHAFSJGSA-N 1 1 286.350 3.462 20 10 CGCDMO C[N@H+](CC/C=C/c1cccnc1)Cc1c(O)cccc1F ZINC001137840065 803779377 /nfs/dbraw/zinc/77/93/77/803779377.db2.gz QQGFTOWALZHCGI-QHHAFSJGSA-N 1 1 286.350 3.462 20 10 CGCDMO C[N@@H+](CC/C=C/c1cccnc1)Cc1c(O)cccc1F ZINC001137840065 803779381 /nfs/dbraw/zinc/77/93/81/803779381.db2.gz QQGFTOWALZHCGI-QHHAFSJGSA-N 1 1 286.350 3.462 20 10 CGCDMO C[N@@H+](Cc1c(O)cccc1F)CC1CC(F)(F)C1 ZINC001137838586 803780607 /nfs/dbraw/zinc/78/06/07/803780607.db2.gz DLRWLTPBCDJSFK-UHFFFAOYSA-N 1 1 259.271 3.008 20 10 CGCDMO C[N@H+](Cc1c(O)cccc1F)CC1CC(F)(F)C1 ZINC001137838586 803780613 /nfs/dbraw/zinc/78/06/13/803780613.db2.gz DLRWLTPBCDJSFK-UHFFFAOYSA-N 1 1 259.271 3.008 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001138122664 803861016 /nfs/dbraw/zinc/86/10/16/803861016.db2.gz SPVXHYWAOXMNHV-LLVKDONJSA-N 1 1 277.261 3.101 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001138122664 803861025 /nfs/dbraw/zinc/86/10/25/803861025.db2.gz SPVXHYWAOXMNHV-LLVKDONJSA-N 1 1 277.261 3.101 20 10 CGCDMO O=C(c1ccccc1)[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC001138131010 803865612 /nfs/dbraw/zinc/86/56/12/803865612.db2.gz NGTGQQURKQBKNK-OAHLLOKOSA-N 1 1 299.345 3.236 20 10 CGCDMO O=C(c1ccccc1)[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC001138131010 803865622 /nfs/dbraw/zinc/86/56/22/803865622.db2.gz NGTGQQURKQBKNK-OAHLLOKOSA-N 1 1 299.345 3.236 20 10 CGCDMO Cc1c(C[NH+]2CC3(C2)CCCCO3)c2ccccc2n1C ZINC001138253928 803881895 /nfs/dbraw/zinc/88/18/95/803881895.db2.gz KYGRBSAZRZXMQP-UHFFFAOYSA-N 1 1 284.403 3.242 20 10 CGCDMO CCC[N@@H+](CC)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138336243 803898235 /nfs/dbraw/zinc/89/82/35/803898235.db2.gz MZQCPPAQYZEHHA-UHFFFAOYSA-N 1 1 288.435 3.323 20 10 CGCDMO CC[C@@H](C)[N@@H+](C)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138340151 803898273 /nfs/dbraw/zinc/89/82/73/803898273.db2.gz NCTDNAZOQMNQOM-CYBMUJFWSA-N 1 1 288.435 3.321 20 10 CGCDMO C[C@H]1CCC[N@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138336318 803899549 /nfs/dbraw/zinc/89/95/49/803899549.db2.gz OTCDFMIBBABDEK-ZDUSSCGKSA-N 1 1 286.419 3.075 20 10 CGCDMO Oc1ccc(F)cc1C[N@@H+](Cc1ccco1)C1CC1 ZINC001140058459 804365229 /nfs/dbraw/zinc/36/52/29/804365229.db2.gz AQYMANLJFMCJCO-UHFFFAOYSA-N 1 1 261.296 3.289 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1cc(F)ccc1O ZINC001140058543 804365968 /nfs/dbraw/zinc/36/59/68/804365968.db2.gz GIQGVAPCZQZJNT-UHFFFAOYSA-N 1 1 275.323 3.259 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCC[C@@H](CF)C2)c1O ZINC001140182718 804396716 /nfs/dbraw/zinc/39/67/16/804396716.db2.gz XZSPRWZEVUSNCU-ZDUSSCGKSA-N 1 1 251.345 3.191 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCC[C@H](C(F)F)C2)c1O ZINC001140182083 804396895 /nfs/dbraw/zinc/39/68/95/804396895.db2.gz ICGNEUBNPYPJHP-LBPRGKRZSA-N 1 1 269.335 3.486 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)c1O ZINC001140185942 804397538 /nfs/dbraw/zinc/39/75/38/804397538.db2.gz UUIDFNVMFIDXEC-MRXNPFEDSA-N 1 1 297.398 3.445 20 10 CGCDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1c(O)cccc1Cl ZINC001140341450 804419646 /nfs/dbraw/zinc/41/96/46/804419646.db2.gz ONWVWBPJCIMQJF-AWEZNQCLSA-N 1 1 283.799 3.435 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@@H+](CC1CC1)C1CC1 ZINC001140464488 804441147 /nfs/dbraw/zinc/44/11/47/804441147.db2.gz RSWROARGGKZXIU-UHFFFAOYSA-N 1 1 251.757 3.420 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001140466955 804442599 /nfs/dbraw/zinc/44/25/99/804442599.db2.gz NNNRITXERLJHRW-VIFPVBQESA-N 1 1 279.689 3.430 20 10 CGCDMO C[N@@H+](CCc1ccncc1)Cc1ccc(Cl)cc1O ZINC001140466617 804443503 /nfs/dbraw/zinc/44/35/03/804443503.db2.gz IFKNIJJXYMTSFF-UHFFFAOYSA-N 1 1 276.767 3.115 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C(F)F)C2)c1 ZINC001140621253 804476983 /nfs/dbraw/zinc/47/69/83/804476983.db2.gz SQHIIPDZXVFGFI-LLVKDONJSA-N 1 1 255.308 3.178 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](Oc3ncccc3C)C2)c1 ZINC001140624466 804478256 /nfs/dbraw/zinc/47/82/56/804478256.db2.gz XTWFHOWRGXWUGJ-INIZCTEOSA-N 1 1 298.386 3.057 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CCCc3ccccc3C2)c1O ZINC001140749360 804504018 /nfs/dbraw/zinc/50/40/18/804504018.db2.gz WVNKIIYDLABQDY-UHFFFAOYSA-N 1 1 283.371 3.355 20 10 CGCDMO CCC[N@@H+](CCOC)Cc1ccc(N(C)C)cc1Cl ZINC001140921704 804549366 /nfs/dbraw/zinc/54/93/66/804549366.db2.gz NPVUPANLTXXSRX-UHFFFAOYSA-N 1 1 284.831 3.264 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@](C)(O)CC2)c(Cl)c1 ZINC001140922003 804549380 /nfs/dbraw/zinc/54/93/80/804549380.db2.gz ZNIAOJLCNHMHGW-MRXNPFEDSA-N 1 1 296.842 3.143 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2Cl)[C@H](C)C1 ZINC001140927517 804550643 /nfs/dbraw/zinc/55/06/43/804550643.db2.gz SWFCOBINNGCTQN-DOMZBBRYSA-N 1 1 296.842 3.405 20 10 CGCDMO Cc1ccc(C[N@H+]2CCCC[C@@H]2CN2CCCC2)c(O)c1 ZINC001140949893 804556246 /nfs/dbraw/zinc/55/62/46/804556246.db2.gz OPMJSKFKZXJIGC-QGZVFWFLSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1ccc(CN2CCCC[C@@H]2C[NH+]2CCCC2)c(O)c1 ZINC001140949893 804556254 /nfs/dbraw/zinc/55/62/54/804556254.db2.gz OPMJSKFKZXJIGC-QGZVFWFLSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)c(O)c1 ZINC001140948689 804556536 /nfs/dbraw/zinc/55/65/36/804556536.db2.gz VSAHRZPKCDXNCT-HUUCEWRRSA-N 1 1 273.376 3.034 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c(O)c1 ZINC001140949466 804556627 /nfs/dbraw/zinc/55/66/27/804556627.db2.gz BOPILAXCKLYCND-QGZVFWFLSA-N 1 1 283.371 3.354 20 10 CGCDMO CCOC(=O)C[N@@H+](Cc1ccc(C)cc1O)C1CCCC1 ZINC001140954295 804558366 /nfs/dbraw/zinc/55/83/66/804558366.db2.gz OWWSEXFUQVCTLI-UHFFFAOYSA-N 1 1 291.391 3.008 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c(OC)c1 ZINC001141026663 804572888 /nfs/dbraw/zinc/57/28/88/804572888.db2.gz YOFMRVQRAZBVIE-STQMWFEESA-N 1 1 291.391 3.031 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C[C@@H]1F ZINC001141074533 804584687 /nfs/dbraw/zinc/58/46/87/804584687.db2.gz LBUVUPVCDBTFJU-DYVFJYSZSA-N 1 1 288.410 3.175 20 10 CGCDMO CC(C)OC1C[NH+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143112514 804802811 /nfs/dbraw/zinc/80/28/11/804802811.db2.gz UUQQINGPBROBPV-UHFFFAOYSA-N 1 1 277.408 3.299 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1)Cc1c(O)cc(O)cc1O ZINC001144509031 804997811 /nfs/dbraw/zinc/99/78/11/804997811.db2.gz IGVQTLRJWPHKGW-UHFFFAOYSA-N 1 1 287.359 3.216 20 10 CGCDMO C[C@@H](Cc1cccnc1)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001258634203 807519657 /nfs/dbraw/zinc/51/96/57/807519657.db2.gz PHBBBUYBVWMNDI-HNNXBMFYSA-N 1 1 283.419 3.211 20 10 CGCDMO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC001261201548 807714441 /nfs/dbraw/zinc/71/44/41/807714441.db2.gz GLFQIKOLHMHYAD-XUJVJEKNSA-N 1 1 297.402 3.119 20 10 CGCDMO Nc1ccc(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)cc1 ZINC001262488289 807867809 /nfs/dbraw/zinc/86/78/09/807867809.db2.gz XCXXRPDJUQFTNL-LJQANCHMSA-N 1 1 296.414 3.141 20 10 CGCDMO COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(N)cc2)cc1 ZINC001262486980 807867909 /nfs/dbraw/zinc/86/79/09/807867909.db2.gz GOFXSMFXJHPPQW-ZDUSSCGKSA-N 1 1 270.376 3.470 20 10 CGCDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1cc(C(C)C)ccc1O ZINC001180091937 809973461 /nfs/dbraw/zinc/97/34/61/809973461.db2.gz HBYLVYPOAAXRAQ-OAHLLOKOSA-N 1 1 291.391 3.043 20 10 CGCDMO CC(C)c1ccc(O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC001181828062 810074987 /nfs/dbraw/zinc/07/49/87/810074987.db2.gz QHEVROCDEPAPHB-ALOPSCKCSA-N 1 1 288.435 3.230 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H](CF)C1 ZINC001183519170 810151106 /nfs/dbraw/zinc/15/11/06/810151106.db2.gz BWSMSMVLWIKJER-SECBINFHSA-N 1 1 275.726 3.366 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H](CF)C1 ZINC001183519170 810151110 /nfs/dbraw/zinc/15/11/10/810151110.db2.gz BWSMSMVLWIKJER-SECBINFHSA-N 1 1 275.726 3.366 20 10 CGCDMO COc1ccc(N(C)C[C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001195810970 811295166 /nfs/dbraw/zinc/29/51/66/811295166.db2.gz WYQGBPMZKBUZQG-MRXNPFEDSA-N 1 1 276.424 3.394 20 10 CGCDMO Cc1nc([C@H]2CCC[N@H+]2Cc2ccc(N(C)C)cc2)[nH]c1C ZINC001197709860 811447490 /nfs/dbraw/zinc/44/74/90/811447490.db2.gz AMIWYAQYEFEXHW-QGZVFWFLSA-N 1 1 298.434 3.430 20 10 CGCDMO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccc(N(C)C)cc2)[nH]c1C ZINC001197709860 811447496 /nfs/dbraw/zinc/44/74/96/811447496.db2.gz AMIWYAQYEFEXHW-QGZVFWFLSA-N 1 1 298.434 3.430 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCO[C@H](C(C)(C)C)CC2)cc1 ZINC001198799569 811543651 /nfs/dbraw/zinc/54/36/51/811543651.db2.gz BOWDXTWDCCJAGV-KRWDZBQOSA-N 1 1 290.451 3.390 20 10 CGCDMO Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(O)c(O)c2)cn1 ZINC001203878570 812478489 /nfs/dbraw/zinc/47/84/89/812478489.db2.gz CUVNVCFOZBVQPO-HNNXBMFYSA-N 1 1 284.359 3.138 20 10 CGCDMO Oc1ccc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)cc1O ZINC001203882745 812479799 /nfs/dbraw/zinc/47/97/99/812479799.db2.gz UFEBPNQCWJKLGV-AWEZNQCLSA-N 1 1 287.334 3.226 20 10 CGCDMO C[N@@H+](CCc1ccccc1Cl)Cc1ccc(O)c(O)c1 ZINC001203882658 812479819 /nfs/dbraw/zinc/47/98/19/812479819.db2.gz PIDATIBTZHJGAL-UHFFFAOYSA-N 1 1 291.778 3.426 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)cc1 ZINC001203930547 812494272 /nfs/dbraw/zinc/49/42/72/812494272.db2.gz YIAYDIKBOGBNDQ-DLBZAZTESA-N 1 1 286.419 3.086 20 10 CGCDMO C[C@@H]1COCC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204233569 812579698 /nfs/dbraw/zinc/57/96/98/812579698.db2.gz RPMRTGZEHFDZQO-HNNXBMFYSA-N 1 1 298.430 3.374 20 10 CGCDMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)c(F)cc2O)C1(C)C ZINC001204235799 812581138 /nfs/dbraw/zinc/58/11/38/812581138.db2.gz DGMBNSFKFUXTCW-LSDHHAIUSA-N 1 1 299.361 3.306 20 10 CGCDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)c(F)cc2O)C1(C)C ZINC001204235799 812581139 /nfs/dbraw/zinc/58/11/39/812581139.db2.gz DGMBNSFKFUXTCW-LSDHHAIUSA-N 1 1 299.361 3.306 20 10 CGCDMO CC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204240060 812581436 /nfs/dbraw/zinc/58/14/36/812581436.db2.gz HAMUZWIPKIZPRV-HNNXBMFYSA-N 1 1 296.414 3.317 20 10 CGCDMO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(F)c(F)cc2O)C1(C)C ZINC001204235797 812581863 /nfs/dbraw/zinc/58/18/63/812581863.db2.gz DGMBNSFKFUXTCW-GJZGRUSLSA-N 1 1 299.361 3.306 20 10 CGCDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)c(F)cc2O)C1(C)C ZINC001204235797 812581866 /nfs/dbraw/zinc/58/18/66/812581866.db2.gz DGMBNSFKFUXTCW-GJZGRUSLSA-N 1 1 299.361 3.306 20 10 CGCDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(O)cc2O)cc1 ZINC001204278893 812594394 /nfs/dbraw/zinc/59/43/94/812594394.db2.gz MEJODFUQUKRHFR-GFCCVEGCSA-N 1 1 287.359 3.299 20 10 CGCDMO CC[N@H+](CCCN(C)C)Cc1ccc(N2CCCC2)cc1 ZINC001204328636 812613966 /nfs/dbraw/zinc/61/39/66/812613966.db2.gz LGTGNDDEQJEPMX-UHFFFAOYSA-N 1 1 289.467 3.060 20 10 CGCDMO CC[N@@H+](CCCN(C)C)Cc1ccc(N2CCCC2)cc1 ZINC001204328636 812613971 /nfs/dbraw/zinc/61/39/71/812613971.db2.gz LGTGNDDEQJEPMX-UHFFFAOYSA-N 1 1 289.467 3.060 20 10 CGCDMO CCN(CCC[NH+](C)C)Cc1ccc(N2CCCC2)cc1 ZINC001204328636 812613979 /nfs/dbraw/zinc/61/39/79/812613979.db2.gz LGTGNDDEQJEPMX-UHFFFAOYSA-N 1 1 289.467 3.060 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@@H]2c2ccccc2)cc(O)c1O ZINC001204341392 812616144 /nfs/dbraw/zinc/61/61/44/812616144.db2.gz BJIVLAIJHMZQFQ-OAHLLOKOSA-N 1 1 299.370 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CC[N@@H+](C)C1CCN(Cc2ccc(C(C)C)cc2O)CC1 ZINC001237054713 819654843 /nfs/dbraw/zinc/65/48/43/819654843.db2.gz DZOCLRHONAFJDV-UHFFFAOYSA-N 1 1 290.451 3.432 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2C[C@H]3CCCN(C)[C@H]3C2)c(O)c1 ZINC001237055808 819655201 /nfs/dbraw/zinc/65/52/01/819655201.db2.gz QGJSOIOETATQOQ-WBVHZDCISA-N 1 1 288.435 3.042 20 10 CGCDMO Oc1ccc(F)c(Cl)c1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC001237127564 819673274 /nfs/dbraw/zinc/67/32/74/819673274.db2.gz CTVPAGPNDQQSQX-OAHLLOKOSA-N 1 1 299.773 3.187 20 10 CGCDMO CC(C)c1ccc(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(O)c1 ZINC001237410531 819746283 /nfs/dbraw/zinc/74/62/83/819746283.db2.gz DTFPDEOBFDQBHG-WBVHZDCISA-N 1 1 288.435 3.090 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001237485772 819762013 /nfs/dbraw/zinc/76/20/13/819762013.db2.gz SHFCTIUURSMIEK-ZDUSSCGKSA-N 1 1 291.288 3.425 20 10 CGCDMO COC(=O)CC[N@@H+](Cc1c(C)cccc1O)C1CCCC1 ZINC001237489665 819763486 /nfs/dbraw/zinc/76/34/86/819763486.db2.gz JPLFXDLZUVSKBX-UHFFFAOYSA-N 1 1 291.391 3.008 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC001237490282 819764343 /nfs/dbraw/zinc/76/43/43/819764343.db2.gz CZRVXKISMXJHHA-HNNXBMFYSA-N 1 1 283.371 3.136 20 10 CGCDMO CCc1n[nH]cc1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001237650470 819796905 /nfs/dbraw/zinc/79/69/05/819796905.db2.gz HKFZUOITJHWSOY-UHFFFAOYSA-N 1 1 298.434 3.204 20 10 CGCDMO COc1cc(C[N@H+]2CCCC[C@](C)(F)C2)c(O)c(OC)c1 ZINC001237669146 819804312 /nfs/dbraw/zinc/80/43/12/819804312.db2.gz JBXLEIOUDQQSPU-INIZCTEOSA-N 1 1 297.370 3.124 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001237935168 819887738 /nfs/dbraw/zinc/88/77/38/819887738.db2.gz QXULQKSJRYGQNO-BONVTDFDSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001237935168 819887749 /nfs/dbraw/zinc/88/77/49/819887749.db2.gz QXULQKSJRYGQNO-BONVTDFDSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001237935171 819888628 /nfs/dbraw/zinc/88/86/28/819888628.db2.gz QXULQKSJRYGQNO-MEBBXXQBSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001237935171 819888640 /nfs/dbraw/zinc/88/86/40/819888640.db2.gz QXULQKSJRYGQNO-MEBBXXQBSA-N 1 1 299.773 3.186 20 10 CGCDMO COc1cc(SC)c(-c2[nH+]ccc3c2ccn3C)cn1 ZINC001239039133 820201137 /nfs/dbraw/zinc/20/11/37/820201137.db2.gz FQJVBQCVPRREBS-UHFFFAOYSA-N 1 1 285.372 3.366 20 10 CGCDMO Nc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)cc1 ZINC001345159308 936804956 /nfs/dbraw/zinc/80/49/56/936804956.db2.gz FWQJRMPVQAMJMS-RTBURBONSA-N 1 1 296.414 3.357 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)[C@H](C)CO1 ZINC001349536132 936951698 /nfs/dbraw/zinc/95/16/98/936951698.db2.gz UQGLPTGBXBRNTG-QAPCUYQASA-N 1 1 288.435 3.286 20 10 CGCDMO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1cc(N)cc[nH+]1 ZINC001350955168 937003966 /nfs/dbraw/zinc/00/39/66/937003966.db2.gz GXVREAVQCYMDSF-RISCZKNCSA-N 1 1 283.375 3.016 20 10 CGCDMO CCC[C@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)CCO1 ZINC001461958720 928770034 /nfs/dbraw/zinc/77/00/34/928770034.db2.gz KDUJJORCXBQFOZ-ZDUSSCGKSA-N 1 1 283.799 3.355 20 10 CGCDMO CCC[C@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2O)CCO1 ZINC001461958720 928770039 /nfs/dbraw/zinc/77/00/39/928770039.db2.gz KDUJJORCXBQFOZ-ZDUSSCGKSA-N 1 1 283.799 3.355 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCC[C@@](C)(F)C2)c1O ZINC001140178424 931957225 /nfs/dbraw/zinc/95/72/25/931957225.db2.gz LHWGXPRXHYKONC-OAHLLOKOSA-N 1 1 251.345 3.333 20 10 CGCDMO C[C@@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)[C@H]1C ZINC001461884361 937603512 /nfs/dbraw/zinc/60/35/12/937603512.db2.gz AJFYWVWYNXMATK-MUHKLVGJSA-N 1 1 258.409 3.496 20 10 CGCDMO C[C@@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)[C@@H]1C ZINC001461884365 937604125 /nfs/dbraw/zinc/60/41/25/937604125.db2.gz AJFYWVWYNXMATK-XEVLESSRSA-N 1 1 258.409 3.496 20 10 CGCDMO COc1ccc(C[N@H+]2CC[C@H](C)C(C)(C)C2)c(O)c1OC ZINC001462060562 937615245 /nfs/dbraw/zinc/61/52/45/937615245.db2.gz NTVFWUYRHIWQID-LBPRGKRZSA-N 1 1 293.407 3.277 20 10 CGCDMO COC1(C[NH2+]Cc2cc(F)c(F)cc2O)CCCCC1 ZINC001462100870 937618001 /nfs/dbraw/zinc/61/80/01/937618001.db2.gz CYLWBKRUVVGSKH-UHFFFAOYSA-N 1 1 285.334 3.109 20 10 CGCDMO C[C@H](C[NH2+]Cc1ccc(Cl)cc1O)CC(F)F ZINC001462372554 937635902 /nfs/dbraw/zinc/63/59/02/937635902.db2.gz FKDBECIXNLZWND-QMMMGPOBSA-N 1 1 263.715 3.427 20 10 CGCDMO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]Cc1cc(F)c(F)cc1O ZINC001462575420 937651235 /nfs/dbraw/zinc/65/12/35/937651235.db2.gz CGCLWELCIAGTNI-LSKIRQOJSA-N 1 1 267.319 3.052 20 10 CGCDMO CN(C)c1ccc(F)cc1CNc1ccc2c(c1)[nH+]cn2C ZINC001308314880 933094129 /nfs/dbraw/zinc/09/41/29/933094129.db2.gz UHSGKKOGZKWGTN-UHFFFAOYSA-N 1 1 298.365 3.391 20 10 CGCDMO CCN1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC001323828880 934429323 /nfs/dbraw/zinc/42/93/23/934429323.db2.gz CPYQLDVLVRZKMT-LSDHHAIUSA-N 1 1 276.424 3.083 20 10 CGCDMO CC[C@H]([NH2+]CC[C@@H](C)[NH2+]C)c1cc(Cl)ccc1[O-] ZINC001325744260 934926061 /nfs/dbraw/zinc/92/60/61/934926061.db2.gz SEZHWEWKJFEGML-MFKMUULPSA-N 1 1 270.804 3.084 20 10 CGCDMO CC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C(C)(C)C ZINC001333001158 935504180 /nfs/dbraw/zinc/50/41/80/935504180.db2.gz SGBNRJNULZFIHA-UHFFFAOYSA-N 1 1 290.451 3.268 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(N)cc2)cc1 ZINC001336116926 936176091 /nfs/dbraw/zinc/17/60/91/936176091.db2.gz HYNDZEOGFDPMOW-UHFFFAOYSA-N 1 1 270.376 3.300 20 10 CGCDMO Nc1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC001336284732 936186357 /nfs/dbraw/zinc/18/63/57/936186357.db2.gz CEFROZHSZWFQEU-QGZVFWFLSA-N 1 1 274.408 3.192 20 10 CGCDMO CS[C@H]1CC[C@H]([N@@H+](C)Cc2ccccc2O)C1 ZINC001337074202 936234779 /nfs/dbraw/zinc/23/47/79/936234779.db2.gz ZAAOIWDOGHTUBR-STQMWFEESA-N 1 1 251.395 3.108 20 10 CGCDMO CCC[N@H+](C)CC(C)(C)NCc1ccc(N(C)C)cc1C ZINC001474642249 937872301 /nfs/dbraw/zinc/87/23/01/937872301.db2.gz WSSIWSCYVJPKQY-UHFFFAOYSA-N 1 1 291.483 3.271 20 10 CGCDMO CCC[N@@H+](C)CC(C)(C)NCc1ccc(N(C)C)cc1C ZINC001474642249 937872302 /nfs/dbraw/zinc/87/23/02/937872302.db2.gz WSSIWSCYVJPKQY-UHFFFAOYSA-N 1 1 291.483 3.271 20 10 CGCDMO Cn1ccnc1C[N@@H+](Cc1ccccc1O)C1CCCCC1 ZINC000070977250 345400099 /nfs/dbraw/zinc/40/00/99/345400099.db2.gz OQWHJEQTFHBNHB-UHFFFAOYSA-N 1 1 299.418 3.461 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1O ZINC000179951086 346254247 /nfs/dbraw/zinc/25/42/47/346254247.db2.gz BLGLTINAYNWCRK-LLVKDONJSA-N 1 1 289.297 3.175 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@H](O)c1cccc(Cl)c1 ZINC000072629606 369830323 /nfs/dbraw/zinc/83/03/23/369830323.db2.gz MEZFAWXXCWXBLM-INIZCTEOSA-N 1 1 291.778 3.211 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@H](c3ccco3)C2)cc1C ZINC000093841411 370165617 /nfs/dbraw/zinc/16/56/17/370165617.db2.gz WCPSXBQFDAFUCG-KRWDZBQOSA-N 1 1 287.359 3.176 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cccc(Cl)c1[O-] ZINC000287573844 371674445 /nfs/dbraw/zinc/67/44/45/371674445.db2.gz GZJHLCPCULHVAZ-SWLSCSKDSA-N 1 1 296.842 3.428 20 10 CGCDMO Cn1c[nH+]cc1CCSc1ncc(-c2ccccc2)n1C ZINC000287673253 371693506 /nfs/dbraw/zinc/69/35/06/371693506.db2.gz YFWBOINPXCOJFX-UHFFFAOYSA-N 1 1 298.415 3.155 20 10 CGCDMO Cc1noc(C)c1CC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293590780 372420163 /nfs/dbraw/zinc/42/01/63/372420163.db2.gz KHNYLIWSHUENDX-UHFFFAOYSA-N 1 1 298.745 3.122 20 10 CGCDMO COCC1(CC[NH2+][C@@H](C)c2ccc(F)cc2O)CCC1 ZINC000293851967 372501511 /nfs/dbraw/zinc/50/15/11/372501511.db2.gz YLICJRJBBRVGCG-LBPRGKRZSA-N 1 1 281.371 3.389 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](OC)C(C)(C)C2)c1 ZINC000295052968 372687722 /nfs/dbraw/zinc/68/77/22/372687722.db2.gz PPUFLWSVEGBNQO-INIZCTEOSA-N 1 1 293.407 3.038 20 10 CGCDMO CCC[N@@H+](Cc1conc1C)Cc1ccccc1O ZINC000295276819 372724925 /nfs/dbraw/zinc/72/49/25/372724925.db2.gz ICBZOOPPTIJQGH-UHFFFAOYSA-N 1 1 260.337 3.101 20 10 CGCDMO COC1CCN(c2ccc(C[N@@H+](C)CC3CC3)cc2)CC1 ZINC000295511098 372809628 /nfs/dbraw/zinc/80/96/28/372809628.db2.gz LNRGLEAHSDFZDB-UHFFFAOYSA-N 1 1 288.435 3.144 20 10 CGCDMO Oc1ccc(F)cc1C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000180002672 373952893 /nfs/dbraw/zinc/95/28/93/373952893.db2.gz NMUQLMZNAZGVHG-AWEZNQCLSA-N 1 1 293.363 3.166 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000180002672 373952896 /nfs/dbraw/zinc/95/28/96/373952896.db2.gz NMUQLMZNAZGVHG-AWEZNQCLSA-N 1 1 293.363 3.166 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)[C@@H](C)c2ccco2)c1 ZINC000179682683 373905847 /nfs/dbraw/zinc/90/58/47/373905847.db2.gz QBVSCGOIBNVWJY-NSHDSACASA-N 1 1 261.321 3.187 20 10 CGCDMO COC(=O)c1ccc(C[N@@H+](C)Cc2cccc(C)c2O)cc1 ZINC000179755311 373911500 /nfs/dbraw/zinc/91/15/00/373911500.db2.gz IDUCOXAUCBUSQO-UHFFFAOYSA-N 1 1 299.370 3.119 20 10 CGCDMO COc1cc(O)c(C[N@@H+]([C@@H](C)C(C)C)C2CC2)cc1OC ZINC000183446481 374415304 /nfs/dbraw/zinc/41/53/04/374415304.db2.gz YYOWFQAUMDIQDI-LBPRGKRZSA-N 1 1 293.407 3.418 20 10 CGCDMO C[C@H](O)c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000185119653 374591644 /nfs/dbraw/zinc/59/16/44/374591644.db2.gz KPLOXPUZYWHABV-RYUDHWBXSA-N 1 1 289.350 3.435 20 10 CGCDMO Cc1nc(C[N@@H+](C)Cc2ccccc2O)sc1C ZINC000268649549 378085946 /nfs/dbraw/zinc/08/59/46/378085946.db2.gz JKEBZZDIKPINMM-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO Cc1nc(C[N@H+](C)Cc2ccccc2O)sc1C ZINC000268649549 378085951 /nfs/dbraw/zinc/08/59/51/378085951.db2.gz JKEBZZDIKPINMM-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO CCC[N@@H+](Cc1cc(OC)ccn1)Cc1ccccc1O ZINC000266610383 378024600 /nfs/dbraw/zinc/02/46/00/378024600.db2.gz ZMYBZLPOLLUHIA-UHFFFAOYSA-N 1 1 286.375 3.208 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)Nc2cc(C)cc[nH+]2)c1 ZINC000273469416 378748237 /nfs/dbraw/zinc/74/82/37/378748237.db2.gz JJLSYOJKSPZAKU-LLVKDONJSA-N 1 1 286.331 3.055 20 10 CGCDMO Cc1nc(C)c(C[NH2+][C@H](C)c2ccc(F)cc2O)s1 ZINC000273607262 378755310 /nfs/dbraw/zinc/75/53/10/378755310.db2.gz UNSVGEIBSSBCQI-MRVPVSSYSA-N 1 1 280.368 3.455 20 10 CGCDMO C[N@@H+](CCCC1CCOCC1)Cc1ccccc1O ZINC000274187766 378788932 /nfs/dbraw/zinc/78/89/32/378788932.db2.gz HDGPNDOEGKFTFG-UHFFFAOYSA-N 1 1 263.381 3.031 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCCC3(CCC3)C2)c1 ZINC000375692588 379503659 /nfs/dbraw/zinc/50/36/59/379503659.db2.gz MORLOWKPFUVEIX-UHFFFAOYSA-N 1 1 261.365 3.167 20 10 CGCDMO CCCC[N@@H+](Cc1cc(C)no1)Cc1ccccc1O ZINC000282443972 379921947 /nfs/dbraw/zinc/92/19/47/379921947.db2.gz LFZSLFAIHMBNOJ-UHFFFAOYSA-N 1 1 274.364 3.491 20 10 CGCDMO CCCC[N@@H+](Cc1cnn(CC)c1)Cc1ccccc1O ZINC000283155093 380040225 /nfs/dbraw/zinc/04/02/25/380040225.db2.gz XVYKDPQMUCBHLD-UHFFFAOYSA-N 1 1 287.407 3.411 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)c1cnn(C)c1)c1ccc(F)cc1O ZINC000286165555 380168673 /nfs/dbraw/zinc/16/86/73/380168673.db2.gz QBQZIUOASHKOAQ-QMTHXVAHSA-N 1 1 277.343 3.067 20 10 CGCDMO CC[C@H]([NH2+]CC1([C@@H](O)C(C)C)CC1)c1ccc(F)cc1O ZINC000286232697 380179807 /nfs/dbraw/zinc/17/98/07/380179807.db2.gz SWOMSLMOAXWRAG-HOCLYGCPSA-N 1 1 295.398 3.369 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccc(F)cc1O ZINC000285522867 380150765 /nfs/dbraw/zinc/15/07/65/380150765.db2.gz BGMDPYPBMACWES-OCVGTWLNSA-N 1 1 293.382 3.386 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc(F)cc1O ZINC000286028043 380158660 /nfs/dbraw/zinc/15/86/60/380158660.db2.gz KBJWJJHGQXMDHN-TUKIKUTGSA-N 1 1 281.371 3.123 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc(F)cc1O ZINC000286078830 380159490 /nfs/dbraw/zinc/15/94/90/380159490.db2.gz LLHJSUNBTRVBCZ-TVQRCGJNSA-N 1 1 263.316 3.056 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+](C)Cc2ccco2)c1O ZINC000184674757 262026206 /nfs/dbraw/zinc/02/62/06/262026206.db2.gz VZVIZQFCAUBOPL-UHFFFAOYSA-N 1 1 281.739 3.279 20 10 CGCDMO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3c[nH]nc32)c(O)c1C ZINC000363865388 382259340 /nfs/dbraw/zinc/25/93/40/382259340.db2.gz NDIWTQCLLHPRQC-IUODEOHRSA-N 1 1 285.391 3.460 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)cc1 ZINC000368105563 382364036 /nfs/dbraw/zinc/36/40/36/382364036.db2.gz UDYAHSXMSPDCHZ-HIFRSBDPSA-N 1 1 298.434 3.074 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CCS[C@H](C)[C@@H]2C)c1 ZINC000093501428 392237656 /nfs/dbraw/zinc/23/76/56/392237656.db2.gz JHTQHTICNUOPHV-NWDGAFQWSA-N 1 1 251.395 3.026 20 10 CGCDMO CC[N@@H+](CCc1nccs1)Cc1ccc(N(C)C)cc1 ZINC000093764389 392239637 /nfs/dbraw/zinc/23/96/37/392239637.db2.gz OIQWDQHYYKUXNG-UHFFFAOYSA-N 1 1 289.448 3.274 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C(C)C)[C@H]2CCOC2)cc1C ZINC000291041339 392457166 /nfs/dbraw/zinc/45/71/66/392457166.db2.gz GDJSAIGAMULKOT-HNNXBMFYSA-N 1 1 263.381 3.008 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](C3CCOCC3)C2)cc1C ZINC000372210369 392592768 /nfs/dbraw/zinc/59/27/68/392592768.db2.gz GKQKWUZPDLCPKR-MRXNPFEDSA-N 1 1 289.419 3.258 20 10 CGCDMO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000178416834 392678748 /nfs/dbraw/zinc/67/87/48/392678748.db2.gz VEXWFXJADGPAQI-CQSZACIVSA-N 1 1 269.392 3.341 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H](c2ccccc2)O1 ZINC000179563356 392702253 /nfs/dbraw/zinc/70/22/53/392702253.db2.gz ALKRNGKTANWAHN-RDTXWAMCSA-N 1 1 283.371 3.354 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCn3cccc3[C@H]2C)c1 ZINC000179568254 392704025 /nfs/dbraw/zinc/70/40/25/392704025.db2.gz MZAVVPZUMQHOTP-CYBMUJFWSA-N 1 1 256.349 3.079 20 10 CGCDMO Cc1ccc(O)c([C@@H](C)[NH2+]CCCN2CCC(C)CC2)c1 ZINC000035628891 172307853 /nfs/dbraw/zinc/30/78/53/172307853.db2.gz WHBPZOIVJZYBQI-MRXNPFEDSA-N 1 1 290.451 3.473 20 10 CGCDMO CC[C@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000037328875 173129824 /nfs/dbraw/zinc/12/98/24/173129824.db2.gz CREZWANYNBYZPR-LBPRGKRZSA-N 1 1 279.355 3.356 20 10 CGCDMO CC[N@@H+](Cc1cc(OC)c(OC)cc1O)C1CCCC1 ZINC000159863856 261196534 /nfs/dbraw/zinc/19/65/34/261196534.db2.gz FSVBZHJISUNIMW-UHFFFAOYSA-N 1 1 279.380 3.174 20 10 CGCDMO Cc1nc(CC[NH2+][C@@H](C)c2ccc(F)cc2O)sc1C ZINC000185797399 262071738 /nfs/dbraw/zinc/07/17/38/262071738.db2.gz HSUVHUULMPPNMY-JTQLQIEISA-N 1 1 294.395 3.498 20 10 CGCDMO CCOC1CC2(C1)CC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC000368037472 267139765 /nfs/dbraw/zinc/13/97/65/267139765.db2.gz NARHNYCAPXLIRV-UHFFFAOYSA-N 1 1 295.810 3.437 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC(F)(F)[C@H](C)C2)c1 ZINC000291532490 328264827 /nfs/dbraw/zinc/26/48/27/328264827.db2.gz KKGZQWTVCZWEFM-LLVKDONJSA-N 1 1 255.308 3.178 20 10 CGCDMO CC1(C)[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)[C@@H]2CCO[C@H]21 ZINC000293754457 328277549 /nfs/dbraw/zinc/27/75/49/328277549.db2.gz YLRRDJNUUHWMHT-CUOATXAZSA-N 1 1 299.773 3.088 20 10 CGCDMO COc1cc(C[N@@H+](C)Cc2ccccc2O)cc(OC)c1 ZINC000091956763 327188010 /nfs/dbraw/zinc/18/80/10/327188010.db2.gz LXRCGUYEHRCTEH-UHFFFAOYSA-N 1 1 287.359 3.041 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000249600913 329908155 /nfs/dbraw/zinc/90/81/55/329908155.db2.gz ODUGGTSJFZGHPJ-BHYNMZESSA-N 1 1 299.773 3.232 20 10 CGCDMO Oc1ccccc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192920530 534457446 /nfs/dbraw/zinc/45/74/46/534457446.db2.gz IBQOMQCSWQBRFS-KRWDZBQOSA-N 1 1 296.414 3.004 20 10 CGCDMO CCCCN1CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000037150477 520576472 /nfs/dbraw/zinc/57/64/72/520576472.db2.gz LERSSQCDWVIGPZ-CQSZACIVSA-N 1 1 276.424 3.307 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](Cc2ccccn2)C2CC2)cc1F ZINC000290665296 522174063 /nfs/dbraw/zinc/17/40/63/522174063.db2.gz ZZHZNAOFDLUPMX-UHFFFAOYSA-N 1 1 299.393 3.451 20 10 CGCDMO C[N@@H+](CCCCO)Cc1cc(-c2ccccc2)ccc1O ZINC000276636983 522739323 /nfs/dbraw/zinc/73/93/23/522739323.db2.gz KGOLZSXZAYQRHB-UHFFFAOYSA-N 1 1 285.387 3.264 20 10 CGCDMO COc1ccc(F)cc1C[N@@H+](C)Cc1ccccc1O ZINC000264626247 524308452 /nfs/dbraw/zinc/30/84/52/524308452.db2.gz SSEPRIXHQFYUHX-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@]2(C)CCCO)cc1C ZINC000290546822 525313814 /nfs/dbraw/zinc/31/38/14/525313814.db2.gz RNLMGWQYLXVYJR-KRWDZBQOSA-N 1 1 277.408 3.136 20 10 CGCDMO COc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)c1 ZINC000062747658 526032518 /nfs/dbraw/zinc/03/25/18/526032518.db2.gz WRQVDJLVIHVGRU-NSHDSACASA-N 1 1 275.323 3.391 20 10 CGCDMO Oc1cc2c(cc1CNc1ccc(C3CCC3)c[nH+]1)OCO2 ZINC000293028189 526336043 /nfs/dbraw/zinc/33/60/43/526336043.db2.gz PMZIVCPLAGHRTA-UHFFFAOYSA-N 1 1 298.342 3.396 20 10 CGCDMO Cc1csc(C[NH2+]Cc2ccc3c(c2)CCCN3C)n1 ZINC000050286762 526357932 /nfs/dbraw/zinc/35/79/32/526357932.db2.gz NEDVTBBAPRUYNS-UHFFFAOYSA-N 1 1 287.432 3.124 20 10 CGCDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000740857872 571885577 /nfs/dbraw/zinc/88/55/77/571885577.db2.gz BAKBAWYDGXENMS-VXGBXAGGSA-N 1 1 256.349 3.171 20 10 CGCDMO COC1C[NH+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000738225829 572366431 /nfs/dbraw/zinc/36/64/31/572366431.db2.gz OTDTVMAWVPSJHI-UHFFFAOYSA-N 1 1 283.327 3.122 20 10 CGCDMO CC[N@H+](Cc1c(O)ccc2ccncc21)CC1CC1 ZINC000732662872 572476945 /nfs/dbraw/zinc/47/69/45/572476945.db2.gz BJJSILADPLJNGB-UHFFFAOYSA-N 1 1 256.349 3.172 20 10 CGCDMO CCSCC[N@@H+](CC)Cc1ccc(N(C)C)cc1 ZINC000741804359 572531521 /nfs/dbraw/zinc/53/15/21/572531521.db2.gz FSMIBGQBJGGWLE-UHFFFAOYSA-N 1 1 266.454 3.328 20 10 CGCDMO Cc1ccncc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000746336345 572866872 /nfs/dbraw/zinc/86/68/72/572866872.db2.gz YMWYINTVLGJWOC-UHFFFAOYSA-N 1 1 269.392 3.088 20 10 CGCDMO COc1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)c(O)c1OC ZINC000891402702 618188048 /nfs/dbraw/zinc/18/80/48/618188048.db2.gz VLCAETYVODYSFO-OAHLLOKOSA-N 1 1 299.370 3.356 20 10 CGCDMO COc1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)c(O)c1OC ZINC000891601405 618241045 /nfs/dbraw/zinc/24/10/45/618241045.db2.gz HIWDBYOAAYPQLG-TZMCWYRMSA-N 1 1 293.407 3.420 20 10 CGCDMO COc1ccc(C[N@@H+](C)C(C2CC2)C2CC2)c(O)c1OC ZINC000891852599 618340430 /nfs/dbraw/zinc/34/04/30/618340430.db2.gz NTPCXWMVWFUNCI-UHFFFAOYSA-N 1 1 291.391 3.030 20 10 CGCDMO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C)C2)cc1 ZINC000158129580 618617065 /nfs/dbraw/zinc/61/70/65/618617065.db2.gz ZNSAIRQVKJEYQE-HOTGVXAUSA-N 1 1 289.467 3.135 20 10 CGCDMO CSCC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000168787818 618914063 /nfs/dbraw/zinc/91/40/63/618914063.db2.gz ZDLOECZIKKFOGE-ZJUUUORDSA-N 1 1 257.374 3.324 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2ccccc2O)c(C)n1 ZINC000187246212 619076269 /nfs/dbraw/zinc/07/62/69/619076269.db2.gz CRZWCZAHKZJIHB-UHFFFAOYSA-N 1 1 256.349 3.036 20 10 CGCDMO C[C@@H](C(=O)OC(C)(C)C)[N@H+](Cc1ccccc1O)C1CC1 ZINC000840956731 619268888 /nfs/dbraw/zinc/26/88/88/619268888.db2.gz CTPDZLQTONNYRA-LBPRGKRZSA-N 1 1 291.391 3.087 20 10 CGCDMO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](Cc1ccccc1O)C1CC1 ZINC000840956731 619268890 /nfs/dbraw/zinc/26/88/90/619268890.db2.gz CTPDZLQTONNYRA-LBPRGKRZSA-N 1 1 291.391 3.087 20 10 CGCDMO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)N1CCCC1 ZINC000062745396 619282706 /nfs/dbraw/zinc/28/27/06/619282706.db2.gz OHXCMVDAZFSPGL-XJKSGUPXSA-N 1 1 294.414 3.302 20 10 CGCDMO COCC[N@@H+](Cc1cc(F)cc(F)c1[O-])C1CCCC1 ZINC000893953797 619339937 /nfs/dbraw/zinc/33/99/37/619339937.db2.gz KWONNIRYRUTIQA-UHFFFAOYSA-N 1 1 285.334 3.061 20 10 CGCDMO COCC[N@H+](Cc1cc(F)cc(F)c1O)C1CCCC1 ZINC000893953797 619339939 /nfs/dbraw/zinc/33/99/39/619339939.db2.gz KWONNIRYRUTIQA-UHFFFAOYSA-N 1 1 285.334 3.061 20 10 CGCDMO COCC[N@@H+](Cc1cc(F)cc(F)c1O)C1CCCC1 ZINC000893953797 619339940 /nfs/dbraw/zinc/33/99/40/619339940.db2.gz KWONNIRYRUTIQA-UHFFFAOYSA-N 1 1 285.334 3.061 20 10 CGCDMO Cc1ccc(CC[NH2+][C@@H](C)c2ccc(F)cc2O)cn1 ZINC000185421748 625357023 /nfs/dbraw/zinc/35/70/23/625357023.db2.gz UZFKWQPLIUYSOM-LBPRGKRZSA-N 1 1 274.339 3.128 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@H+](C)Cc2ccns2)cc1 ZINC000895452349 619832169 /nfs/dbraw/zinc/83/21/69/619832169.db2.gz JYHDQPHOWOBWCZ-PLNGDYQASA-N 1 1 287.432 3.354 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)Cc2ccns2)cc1 ZINC000895452349 619832170 /nfs/dbraw/zinc/83/21/70/619832170.db2.gz JYHDQPHOWOBWCZ-PLNGDYQASA-N 1 1 287.432 3.354 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895841581 619892455 /nfs/dbraw/zinc/89/24/55/619892455.db2.gz CXODFKSGUABEOI-SJLPKXTDSA-N 1 1 288.435 3.062 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)CCCF)cc1 ZINC000895896111 619904880 /nfs/dbraw/zinc/90/48/80/619904880.db2.gz MTJCCTXEMXSRNC-GQCTYLIASA-N 1 1 250.361 3.057 20 10 CGCDMO CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1c(O)cccc1F ZINC000896644476 620040242 /nfs/dbraw/zinc/04/02/42/620040242.db2.gz WPLGVUGZGRURNF-SJCJKPOMSA-N 1 1 289.350 3.397 20 10 CGCDMO COc1cc(C[NH2+]Cc2c(O)cccc2F)ccc1C ZINC000896636251 620040980 /nfs/dbraw/zinc/04/09/80/620040980.db2.gz BOOKJXKCMPGARW-UHFFFAOYSA-N 1 1 275.323 3.138 20 10 CGCDMO CC[C@@H]([NH2+]CC(CC)(CC)CO)c1ccc(F)cc1O ZINC000796849883 620160608 /nfs/dbraw/zinc/16/06/08/620160608.db2.gz XMJNLPNWLOADGO-CQSZACIVSA-N 1 1 283.387 3.371 20 10 CGCDMO CC[NH+](CC)Cc1cc(C)cc(Br)c1O ZINC000100692613 620268351 /nfs/dbraw/zinc/26/83/51/620268351.db2.gz BMEFUZVVPLTJOW-UHFFFAOYSA-N 1 1 272.186 3.305 20 10 CGCDMO COc1cc(Cl)cc(C[NH2+]Cc2csc(C)n2)c1O ZINC000228670500 620268391 /nfs/dbraw/zinc/26/83/91/620268391.db2.gz DHVPMXREFUBUES-UHFFFAOYSA-N 1 1 298.795 3.109 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000841745098 620351115 /nfs/dbraw/zinc/35/11/15/620351115.db2.gz NFKUIIUOAGJEEF-RYUDHWBXSA-N 1 1 294.826 3.181 20 10 CGCDMO CCc1ccc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000841040443 620518050 /nfs/dbraw/zinc/51/80/50/620518050.db2.gz MRFBJFWXPLYVMI-LJQANCHMSA-N 1 1 297.446 3.105 20 10 CGCDMO Cc1ncccc1CC[NH2+][C@H](C)c1c(O)cccc1F ZINC000903418441 621736574 /nfs/dbraw/zinc/73/65/74/621736574.db2.gz KPZFKNWQBGKOIQ-GFCCVEGCSA-N 1 1 274.339 3.128 20 10 CGCDMO Oc1cccc(Cl)c1CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960081 621837653 /nfs/dbraw/zinc/83/76/53/621837653.db2.gz WPSWSYHEOFBXSX-INIZCTEOSA-N 1 1 294.826 3.011 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000905743049 622103976 /nfs/dbraw/zinc/10/39/76/622103976.db2.gz YRVFLFYXZNMLQJ-GFCCVEGCSA-N 1 1 293.407 3.006 20 10 CGCDMO CSC(C)(C)CC[N@@H+](C)Cc1ccccc1O ZINC000876615296 622794529 /nfs/dbraw/zinc/79/45/29/622794529.db2.gz AIFZKTALANKCHM-UHFFFAOYSA-N 1 1 253.411 3.356 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@@H](C(C)(C)C)C2)c1O ZINC000163869223 622805873 /nfs/dbraw/zinc/80/58/73/622805873.db2.gz JUHFYAUGZCZMPD-CYBMUJFWSA-N 1 1 263.381 3.269 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)c1O ZINC000224711470 622882977 /nfs/dbraw/zinc/88/29/77/622882977.db2.gz BQXUHCCWEFMTAY-MNOVXSKESA-N 1 1 279.355 3.354 20 10 CGCDMO CCO[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000228561007 623063388 /nfs/dbraw/zinc/06/33/88/623063388.db2.gz YGIWSMJLHMDDLC-ZDUSSCGKSA-N 1 1 299.798 3.055 20 10 CGCDMO C[N@@H+](Cc1ccc(-n2cccn2)cc1)Cc1ccccc1O ZINC000171926943 623200319 /nfs/dbraw/zinc/20/03/19/623200319.db2.gz UUNSRROQPLTXCR-UHFFFAOYSA-N 1 1 293.370 3.210 20 10 CGCDMO Cc1nc2ccccc2nc1C[N@@H+](C)Cc1ccccc1O ZINC000172164154 623229769 /nfs/dbraw/zinc/22/97/69/623229769.db2.gz JEBVLSBZNGYWMP-UHFFFAOYSA-N 1 1 293.370 3.276 20 10 CGCDMO COc1ccc(N2CCC[N@@H+](CCC(C)C)CC2)cc1 ZINC000917088044 624237328 /nfs/dbraw/zinc/23/73/28/624237328.db2.gz MOFXQBHXDJNWMT-UHFFFAOYSA-N 1 1 276.424 3.253 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2ccccc2)c1 ZINC000154464083 624299152 /nfs/dbraw/zinc/29/91/52/624299152.db2.gz VHQVCMFFUTWGSZ-UHFFFAOYSA-N 1 1 271.360 3.423 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2C(C)(C)O)cc1 ZINC000154476498 624301915 /nfs/dbraw/zinc/30/19/15/624301915.db2.gz ATBLUOTXEJQBIS-QGZVFWFLSA-N 1 1 290.451 3.268 20 10 CGCDMO Cc1cccc(C[N@H+](CCN(C)C)C2CCCC2)c1O ZINC000154611023 624328173 /nfs/dbraw/zinc/32/81/73/624328173.db2.gz IGKXOBPKGMDHHD-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO Oc1ccccc1C[N@@H+](Cc1ccco1)CC1=CCCOC1 ZINC000154717293 624347005 /nfs/dbraw/zinc/34/70/05/624347005.db2.gz UEVCDBUUPKDBNS-UHFFFAOYSA-N 1 1 299.370 3.334 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC000155185967 624447401 /nfs/dbraw/zinc/44/74/01/624447401.db2.gz WWENWFZABQVQIU-UHFFFAOYSA-N 1 1 284.403 3.399 20 10 CGCDMO CC(C)CC[N@@H+](C)Cc1c(O)ccc2ccncc21 ZINC000921050524 624565431 /nfs/dbraw/zinc/56/54/31/624565431.db2.gz TZEVXDCYWODOAN-UHFFFAOYSA-N 1 1 258.365 3.418 20 10 CGCDMO Cc1ccc(O)c(C[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)c1 ZINC000237566868 624658665 /nfs/dbraw/zinc/65/86/65/624658665.db2.gz BDLPAODDDAVJKH-NSHDSACASA-N 1 1 289.379 3.232 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@@H]2CN2CCCCC2)c1O ZINC000179803433 624687023 /nfs/dbraw/zinc/68/70/23/624687023.db2.gz DLJFMKPDDQTPAP-QGZVFWFLSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1cccc(CN2CCC[C@@H]2C[NH+]2CCCCC2)c1O ZINC000179803433 624687028 /nfs/dbraw/zinc/68/70/28/624687028.db2.gz DLJFMKPDDQTPAP-QGZVFWFLSA-N 1 1 288.435 3.151 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](C)CC2)c1O ZINC000179949909 624700963 /nfs/dbraw/zinc/70/09/63/624700963.db2.gz PHJISHOZNVGCOB-CYBMUJFWSA-N 1 1 263.381 3.413 20 10 CGCDMO CCC[N@H+](Cc1cc(OC)c(OC)cc1O)CC1CC1 ZINC000183371552 625068052 /nfs/dbraw/zinc/06/80/52/625068052.db2.gz UXLOGOAKVBSPJN-UHFFFAOYSA-N 1 1 279.380 3.031 20 10 CGCDMO C[N@H+](CCNCc1cc(Cl)ccc1O)C1CCCC1 ZINC000071376723 625081653 /nfs/dbraw/zinc/08/16/53/625081653.db2.gz BTVGHVOHIWPLAJ-UHFFFAOYSA-N 1 1 282.815 3.010 20 10 CGCDMO C[N@@H+](CCNCc1cc(Cl)ccc1O)C1CCCC1 ZINC000071376723 625081659 /nfs/dbraw/zinc/08/16/59/625081659.db2.gz BTVGHVOHIWPLAJ-UHFFFAOYSA-N 1 1 282.815 3.010 20 10 CGCDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1O ZINC000189288059 625100279 /nfs/dbraw/zinc/10/02/79/625100279.db2.gz ZCOHEAQSUFUPLC-ZDUSSCGKSA-N 1 1 266.344 3.457 20 10 CGCDMO C[C@@H]([NH2+]C1Cc2ccccc2C1)c1ccc(F)cc1O ZINC000184005489 625191490 /nfs/dbraw/zinc/19/14/90/625191490.db2.gz YYEHLQYZPJBQNW-LLVKDONJSA-N 1 1 271.335 3.349 20 10 CGCDMO CC/C=C/CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000184412351 625233538 /nfs/dbraw/zinc/23/35/38/625233538.db2.gz DQVKIDYTAUYHIO-SNAWJCMRSA-N 1 1 288.435 3.311 20 10 CGCDMO CC(C)([NH2+]Cc1ccc2c(c1)CCCO2)c1nccs1 ZINC000921748462 625862136 /nfs/dbraw/zinc/86/21/36/625862136.db2.gz IGJUJUCZWOSVIJ-UHFFFAOYSA-N 1 1 288.416 3.493 20 10 CGCDMO Cc1ccc(O)c(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)c1 ZINC000922519631 626010614 /nfs/dbraw/zinc/01/06/14/626010614.db2.gz FIKHWYCAVKDPTA-RHSMWYFYSA-N 1 1 287.334 3.262 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@]23C[C@H]2CCC3)c1 ZINC000923023182 626119667 /nfs/dbraw/zinc/11/96/67/626119667.db2.gz OSODQGNTGNDWBW-BXUZGUMPSA-N 1 1 296.208 3.495 20 10 CGCDMO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000839147566 626317527 /nfs/dbraw/zinc/31/75/27/626317527.db2.gz NGCNVMUNDZZBTA-PHIMTYICSA-N 1 1 287.762 3.230 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3C[C@H]2CS3)c1O ZINC000839191639 626328580 /nfs/dbraw/zinc/32/85/80/626328580.db2.gz IVINVXBVOXANQL-RYUDHWBXSA-N 1 1 269.797 3.044 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCCS1)c1c(O)cccc1F ZINC000886539327 626362023 /nfs/dbraw/zinc/36/20/23/626362023.db2.gz XYVRUSXEMUSNLU-ZJUUUORDSA-N 1 1 255.358 3.078 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)[C@@H]1C ZINC000751945179 626412674 /nfs/dbraw/zinc/41/26/74/626412674.db2.gz YHIGYJPDTDKMRN-VXGBXAGGSA-N 1 1 256.349 3.171 20 10 CGCDMO CC[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000755922829 626661486 /nfs/dbraw/zinc/66/14/86/626661486.db2.gz JVHZPGSFQDXJQH-GFCCVEGCSA-N 1 1 256.349 3.172 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1cc2c(cc1O)CCCC2 ZINC000756505659 626710540 /nfs/dbraw/zinc/71/05/40/626710540.db2.gz UXZVHRSWYPTANI-UONOGXRCSA-N 1 1 290.451 3.262 20 10 CGCDMO CC(C)c1cc(C[NH2+][C@H](C)c2ccc(F)cc2O)on1 ZINC000756571675 626716370 /nfs/dbraw/zinc/71/63/70/626716370.db2.gz IQUOYBISZISXSI-SNVBAGLBSA-N 1 1 278.327 3.494 20 10 CGCDMO CC(C)n1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)n1 ZINC000756593457 626719375 /nfs/dbraw/zinc/71/93/75/626719375.db2.gz KCIOTFWGVPGWGL-NSHDSACASA-N 1 1 277.343 3.160 20 10 CGCDMO CC(C)c1nnc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)[nH]1 ZINC000756776776 626731176 /nfs/dbraw/zinc/73/11/76/626731176.db2.gz DDGCOQYLBSNDFQ-ZJUUUORDSA-N 1 1 292.358 3.185 20 10 CGCDMO C[C@@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1ccc(F)cc1O ZINC000757654502 626797652 /nfs/dbraw/zinc/79/76/52/626797652.db2.gz AXWLBNWRKIDHIV-UPJWGTAASA-N 1 1 281.371 3.387 20 10 CGCDMO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1cc(C)ccc1O ZINC000758030161 626822639 /nfs/dbraw/zinc/82/26/39/626822639.db2.gz OPMIXFPDEUXSLD-UHFFFAOYSA-N 1 1 293.407 3.254 20 10 CGCDMO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1cc(C)ccc1O ZINC000758030161 626822640 /nfs/dbraw/zinc/82/26/40/626822640.db2.gz OPMIXFPDEUXSLD-UHFFFAOYSA-N 1 1 293.407 3.254 20 10 CGCDMO C[N@@H+](CCN1CCCc2ccccc21)Cc1ccccc1O ZINC000761679858 627055908 /nfs/dbraw/zinc/05/59/08/627055908.db2.gz IFAVHTJSDWKWMW-UHFFFAOYSA-N 1 1 296.414 3.277 20 10 CGCDMO Cc1nc(NCc2ccc3c(c2)CCCN3C)c(C)c(C)[nH+]1 ZINC000761886160 627072378 /nfs/dbraw/zinc/07/23/78/627072378.db2.gz MJKCBJNHVNWOLO-UHFFFAOYSA-N 1 1 296.418 3.396 20 10 CGCDMO COc1ccc2c(c1)CCCCN2CCn1cc[nH+]c1C ZINC000766269346 627308846 /nfs/dbraw/zinc/30/88/46/627308846.db2.gz IVJVCECHYQELTO-UHFFFAOYSA-N 1 1 285.391 3.043 20 10 CGCDMO COc1cccc(O)c1C[N@H+](C)Cc1ccccc1F ZINC000768172427 627465595 /nfs/dbraw/zinc/46/55/95/627465595.db2.gz PEYOOOHDQISJAI-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)Cc1ccccc1F ZINC000768172427 627465597 /nfs/dbraw/zinc/46/55/97/627465597.db2.gz PEYOOOHDQISJAI-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCc2sccc2C1 ZINC000768227984 627469459 /nfs/dbraw/zinc/46/94/59/627469459.db2.gz XEMVZYQDKQMQAM-UHFFFAOYSA-N 1 1 275.373 3.021 20 10 CGCDMO CC[N@@H+](CCc1ccccc1)Cc1c(O)cccc1OC ZINC000768335404 627474142 /nfs/dbraw/zinc/47/41/42/627474142.db2.gz OCULGNQKVPKMMY-UHFFFAOYSA-N 1 1 285.387 3.465 20 10 CGCDMO COC(=O)CC[N@H+](Cc1cc(Cl)ccc1O)CC(C)C ZINC000768852143 627504192 /nfs/dbraw/zinc/50/41/92/627504192.db2.gz GGWOLLQSYNEKAC-UHFFFAOYSA-N 1 1 299.798 3.067 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000769236715 627532541 /nfs/dbraw/zinc/53/25/41/627532541.db2.gz CDSLFJFZTUKZBG-AWEZNQCLSA-N 1 1 261.365 3.165 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](N(C)C)C2)cc1 ZINC000769302716 627538059 /nfs/dbraw/zinc/53/80/59/627538059.db2.gz WPXGKOMNSSOVDN-SFHVURJKSA-N 1 1 289.467 3.059 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](N(C)C)C2)cc1 ZINC000769302716 627538062 /nfs/dbraw/zinc/53/80/62/627538062.db2.gz WPXGKOMNSSOVDN-SFHVURJKSA-N 1 1 289.467 3.059 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000769425022 627550890 /nfs/dbraw/zinc/55/08/90/627550890.db2.gz BOGFHRIZYFQSBE-MRXNPFEDSA-N 1 1 298.386 3.441 20 10 CGCDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2c(O)cccc2OC)C1(C)C ZINC000769474117 627557903 /nfs/dbraw/zinc/55/79/03/627557903.db2.gz RTZIHBOSAKCTEC-CVEARBPZSA-N 1 1 293.407 3.036 20 10 CGCDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000770284221 627611601 /nfs/dbraw/zinc/61/16/01/627611601.db2.gz OBUTUVNUSPHCJL-NWDGAFQWSA-N 1 1 250.361 3.122 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](C(C)C)C2)c1 ZINC000770305726 627612673 /nfs/dbraw/zinc/61/26/73/627612673.db2.gz JTQLKPBKOHGPIV-CYBMUJFWSA-N 1 1 263.381 3.269 20 10 CGCDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(C)ccc2O)C12CCC2 ZINC000770352211 627615065 /nfs/dbraw/zinc/61/50/65/627615065.db2.gz MXYUAXBKJNSDFN-DLBZAZTESA-N 1 1 289.419 3.480 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000770510072 627623543 /nfs/dbraw/zinc/62/35/43/627623543.db2.gz WZKIZXDUNJRMMJ-KRWDZBQOSA-N 1 1 283.371 3.436 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)cc1 ZINC000771529047 627717321 /nfs/dbraw/zinc/71/73/21/627717321.db2.gz UDIFIGMDHDVQJT-LJQANCHMSA-N 1 1 298.430 3.092 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](CCO)Cc2ccccc2)cc1 ZINC000773750406 627910416 /nfs/dbraw/zinc/91/04/16/627910416.db2.gz ZEZIZRXCTOMCQE-UHFFFAOYSA-N 1 1 298.430 3.137 20 10 CGCDMO CCOCC[N@@H+](CC)Cc1ccc(N(C)CC)cc1 ZINC000773756440 627911491 /nfs/dbraw/zinc/91/14/91/627911491.db2.gz LGFXDWSYOWNIFO-UHFFFAOYSA-N 1 1 264.413 3.001 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000773783760 627915568 /nfs/dbraw/zinc/91/55/68/627915568.db2.gz FGVUJEZMDLSQRY-IAGOWNOFSA-N 1 1 288.435 3.001 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCOC[C@]2(C)CC)cc1 ZINC000773829254 627917405 /nfs/dbraw/zinc/91/74/05/627917405.db2.gz ZVJFGWRPPIOKKC-KRWDZBQOSA-N 1 1 276.424 3.144 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)cc1 ZINC000773832086 627917902 /nfs/dbraw/zinc/91/79/02/627917902.db2.gz MSNIZZFWFNDESO-FUHWJXTLSA-N 1 1 290.451 3.126 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2cc(C)no2)c1 ZINC000775655648 628119937 /nfs/dbraw/zinc/11/99/37/628119937.db2.gz JPBPPRGJMRFKCR-CQSZACIVSA-N 1 1 288.347 3.034 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCCC[C@H](C)C2)c(O)c1 ZINC000775995481 628156436 /nfs/dbraw/zinc/15/64/36/628156436.db2.gz DXENVRYZHCOGEZ-ZDUSSCGKSA-N 1 1 263.381 3.413 20 10 CGCDMO CCCN(CCC)c1ccc(C[N@@H+](C)C[C@@H](C)O)cc1 ZINC000776520613 628216326 /nfs/dbraw/zinc/21/63/26/628216326.db2.gz CLAGOTGMMFKRRX-OAHLLOKOSA-N 1 1 278.440 3.126 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1C ZINC000779431849 628413119 /nfs/dbraw/zinc/41/31/19/628413119.db2.gz FOQSZXSMDLCXNM-RDJZCZTQSA-N 1 1 291.435 3.238 20 10 CGCDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C[C@@H]1O ZINC000779432258 628413426 /nfs/dbraw/zinc/41/34/26/628413426.db2.gz QDERGUVXKVBSGT-WFASDCNBSA-N 1 1 297.826 3.275 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781533226 628568682 /nfs/dbraw/zinc/56/86/82/628568682.db2.gz ZUUYOLKKGTUHTM-LLVKDONJSA-N 1 1 291.725 3.249 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000781930416 628606421 /nfs/dbraw/zinc/60/64/21/628606421.db2.gz WSERUMOJDXJCHE-SUMWQHHRSA-N 1 1 275.392 3.413 20 10 CGCDMO CC(C)[N@@H+](CC[C@@H]1CCOC1)Cc1ccc(N(C)C)cc1 ZINC000783525015 628722179 /nfs/dbraw/zinc/72/21/79/628722179.db2.gz ZAKUFOXPDLEOSM-QGZVFWFLSA-N 1 1 290.451 3.390 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)c1O ZINC000783737017 628743834 /nfs/dbraw/zinc/74/38/34/628743834.db2.gz IDYZGGMERJROPX-AXFHLTTASA-N 1 1 299.798 3.052 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)c1O ZINC000783737017 628743837 /nfs/dbraw/zinc/74/38/37/628743837.db2.gz IDYZGGMERJROPX-AXFHLTTASA-N 1 1 299.798 3.052 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000785765438 628886763 /nfs/dbraw/zinc/88/67/63/628886763.db2.gz HUZKQIUIUXDQKH-GFCCVEGCSA-N 1 1 272.314 3.137 20 10 CGCDMO CC[C@H](COC)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788606309 629069293 /nfs/dbraw/zinc/06/92/93/629069293.db2.gz ZNQHUSONYDXMDO-NXEZZACHSA-N 1 1 291.313 3.487 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000789518401 629141454 /nfs/dbraw/zinc/14/14/54/629141454.db2.gz YPURXXPSVDKGPX-HOTGVXAUSA-N 1 1 275.392 3.152 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)cc1C ZINC000790417577 629210163 /nfs/dbraw/zinc/21/01/63/629210163.db2.gz UOAWNOLYGVCJQN-MRXNPFEDSA-N 1 1 277.408 3.256 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCSC1)c1cc(F)cc(F)c1O ZINC000790494412 629213641 /nfs/dbraw/zinc/21/36/41/629213641.db2.gz DMSHNBKFJLNPJR-DTWKUNHWSA-N 1 1 273.348 3.074 20 10 CGCDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000790934291 629242239 /nfs/dbraw/zinc/24/22/39/629242239.db2.gz JTRNMIXARRXQNA-ZFWWWQNUSA-N 1 1 294.414 3.017 20 10 CGCDMO C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790976848 629245433 /nfs/dbraw/zinc/24/54/33/629245433.db2.gz MYAOVKWAADHXFR-ZJUUUORDSA-N 1 1 287.762 3.089 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000790977665 629245473 /nfs/dbraw/zinc/24/54/73/629245473.db2.gz NBXTXEZFQVFOMJ-SSDOTTSWSA-N 1 1 279.689 3.462 20 10 CGCDMO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790988880 629247088 /nfs/dbraw/zinc/24/70/88/629247088.db2.gz FQRRWMPBVTVIRT-TVQRCGJNSA-N 1 1 287.762 3.089 20 10 CGCDMO CCC[N@@H+](Cc1cccc(C)c1O)[C@H](CC)C(=O)OCC ZINC000792184530 629346165 /nfs/dbraw/zinc/34/61/65/629346165.db2.gz BTDQCZSXZOWUKW-OAHLLOKOSA-N 1 1 293.407 3.254 20 10 CGCDMO COCC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H]1CC[C@@H](C)C1 ZINC000792192130 629346722 /nfs/dbraw/zinc/34/67/22/629346722.db2.gz DMHYNSICWAYVBD-QAPCUYQASA-N 1 1 290.451 3.390 20 10 CGCDMO CC[N@@H+](Cc1cc(F)c(N(C)C)cc1F)[C@@H]1CCCOC1 ZINC000862403224 629364497 /nfs/dbraw/zinc/36/44/97/629364497.db2.gz NENVPKAZJRPLTE-CYBMUJFWSA-N 1 1 298.377 3.032 20 10 CGCDMO CN(C)c1ccc(Cn2c[nH+]c3c2CCCC3)cc1F ZINC000862430594 629370779 /nfs/dbraw/zinc/37/07/79/629370779.db2.gz BMLKIWWJLDFACV-UHFFFAOYSA-N 1 1 273.355 3.015 20 10 CGCDMO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1 ZINC000862442254 629374525 /nfs/dbraw/zinc/37/45/25/629374525.db2.gz GZQJGAKAGVLUMO-PHIMTYICSA-N 1 1 285.334 3.124 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)c1O ZINC000862541277 629395963 /nfs/dbraw/zinc/39/59/63/629395963.db2.gz RSHDWPAAEJSGII-HNNXBMFYSA-N 1 1 283.371 3.396 20 10 CGCDMO Cc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1O ZINC000793230600 629433323 /nfs/dbraw/zinc/43/33/23/629433323.db2.gz GWKOFLHYQZRHTI-ZYHUDNBSSA-N 1 1 273.298 3.473 20 10 CGCDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(F)ccc1O ZINC000793231040 629433633 /nfs/dbraw/zinc/43/36/33/629433633.db2.gz JMPKZKMJGYSETK-LDYMZIIASA-N 1 1 277.261 3.304 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1O ZINC000793525300 629475212 /nfs/dbraw/zinc/47/52/12/629475212.db2.gz HXOHLRFGUZWAGR-DZGCQCFKSA-N 1 1 297.345 3.186 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@H](CSC)C2)c(O)cc1C ZINC000793795965 629501922 /nfs/dbraw/zinc/50/19/22/629501922.db2.gz JDJQXLYBOKWBQD-ZDUSSCGKSA-N 1 1 295.448 3.284 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@H](CCF)C2)cc1C(C)C ZINC000863316207 629532059 /nfs/dbraw/zinc/53/20/59/629532059.db2.gz LFKHNQAFTPVXHT-OAHLLOKOSA-N 1 1 295.398 3.384 20 10 CGCDMO CC[C@H]([NH2+]CCc1ccco1)c1ccc(F)cc1O ZINC000796673611 629813801 /nfs/dbraw/zinc/81/38/01/629813801.db2.gz SPMLVRPMHNIOBH-AWEZNQCLSA-N 1 1 263.312 3.408 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H](C)N1CCCCC1)c1ccc(F)cc1O ZINC000796703401 629817527 /nfs/dbraw/zinc/81/75/27/629817527.db2.gz UINOOERPLQRXSF-CJNGLKHVSA-N 1 1 294.414 3.446 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC(C)=C[C@@H](C)C2)c1O ZINC000797526279 629956696 /nfs/dbraw/zinc/95/66/96/629956696.db2.gz LAIVIGAQIQLHRJ-SNVBAGLBSA-N 1 1 277.339 3.132 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2C)c1 ZINC000798937062 630127527 /nfs/dbraw/zinc/12/75/27/630127527.db2.gz JPGPDNWGCYODHR-DYEKYZERSA-N 1 1 291.391 3.266 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](c3ccccn3)C1)CCC2 ZINC000799158891 630150743 /nfs/dbraw/zinc/15/07/43/630150743.db2.gz ARIUZVLXKIYTTG-INIZCTEOSA-N 1 1 294.398 3.265 20 10 CGCDMO CCCC[N@@H+](Cc1nccn1CC)Cc1ccccc1O ZINC000801594696 630346852 /nfs/dbraw/zinc/34/68/52/630346852.db2.gz KZQJUWVJAGGYSL-UHFFFAOYSA-N 1 1 287.407 3.411 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@H](C)COC ZINC000802657698 630404006 /nfs/dbraw/zinc/40/40/06/630404006.db2.gz NVPHMQJCUTZLNM-AWEZNQCLSA-N 1 1 265.397 3.277 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CCCN(C)C2)c1O ZINC000808692894 630665234 /nfs/dbraw/zinc/66/52/34/630665234.db2.gz BCIHVUWSCIWCGU-QWHCGFSZSA-N 1 1 296.842 3.346 20 10 CGCDMO CCCCN(C)C[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000808733220 630672747 /nfs/dbraw/zinc/67/27/47/630672747.db2.gz STDYZDNIGDMFJN-QWHCGFSZSA-N 1 1 282.403 3.302 20 10 CGCDMO CCC[N@@H+](CCN1CCCCC1)Cc1cccc(C)c1O ZINC000809705001 630787190 /nfs/dbraw/zinc/78/71/90/630787190.db2.gz LBUXJGPPBCTFMF-UHFFFAOYSA-N 1 1 290.451 3.399 20 10 CGCDMO CCCN(CC[NH+]1CCCCC1)Cc1cccc(C)c1O ZINC000809705001 630787193 /nfs/dbraw/zinc/78/71/93/630787193.db2.gz LBUXJGPPBCTFMF-UHFFFAOYSA-N 1 1 290.451 3.399 20 10 CGCDMO Cc1noc([C@H]2CCCC[N@H+]2Cc2cccc(C)c2O)n1 ZINC000809718886 630791476 /nfs/dbraw/zinc/79/14/76/630791476.db2.gz QZJNJEPTZNVLKW-CQSZACIVSA-N 1 1 287.363 3.119 20 10 CGCDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000809768248 630803715 /nfs/dbraw/zinc/80/37/15/630803715.db2.gz GHDWPZRIXQHBHW-DOTOQJQBSA-N 1 1 288.435 3.286 20 10 CGCDMO CCC[N@@H+](CC)C[C@H](C)NCc1c(O)cccc1Cl ZINC000810180770 630851322 /nfs/dbraw/zinc/85/13/22/630851322.db2.gz LCWHIMILWXVXMJ-LBPRGKRZSA-N 1 1 284.831 3.256 20 10 CGCDMO CCCN(CC)C[C@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000810180770 630851323 /nfs/dbraw/zinc/85/13/23/630851323.db2.gz LCWHIMILWXVXMJ-LBPRGKRZSA-N 1 1 284.831 3.256 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)c1 ZINC000811513786 631081340 /nfs/dbraw/zinc/08/13/40/631081340.db2.gz QACRIGWONUQOBI-INIZCTEOSA-N 1 1 275.392 3.411 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC2(CCC2)[C@@H]1C(C)C ZINC000814170674 631537276 /nfs/dbraw/zinc/53/72/76/631537276.db2.gz BVNPOKVQCJTNHS-INIZCTEOSA-N 1 1 275.392 3.411 20 10 CGCDMO Cc1cc(C[N@@H+]2CCSC[C@@H](C)C2)ccc1N(C)C ZINC000815102567 631717532 /nfs/dbraw/zinc/71/75/32/631717532.db2.gz QCARSMYHFXWKSG-ZDUSSCGKSA-N 1 1 278.465 3.246 20 10 CGCDMO Cc1cc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)ccc1N(C)C ZINC000815103411 631717980 /nfs/dbraw/zinc/71/79/80/631717980.db2.gz PXGONUWHFJPSFV-RDJZCZTQSA-N 1 1 290.451 3.186 20 10 CGCDMO CCOC1CC([N@@H+](C)Cc2ccc(N(C)CC)cc2)C1 ZINC000815119038 631721555 /nfs/dbraw/zinc/72/15/55/631721555.db2.gz VSMMUANQWNGFBJ-UHFFFAOYSA-N 1 1 276.424 3.142 20 10 CGCDMO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCCN(C)C2)c(O)c1 ZINC000815578419 631799695 /nfs/dbraw/zinc/79/96/95/631799695.db2.gz NVMGPCKXRAMTQJ-LSDHHAIUSA-N 1 1 276.424 3.001 20 10 CGCDMO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815615868 631807062 /nfs/dbraw/zinc/80/70/62/631807062.db2.gz ZPUJCFOPUWFXEC-GUBZILKMSA-N 1 1 291.313 3.221 20 10 CGCDMO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815627844 631808645 /nfs/dbraw/zinc/80/86/45/631808645.db2.gz LDNLDKZTKWTVFZ-BBBLOLIVSA-N 1 1 291.313 3.485 20 10 CGCDMO C[C@H]1C[C@H]([NH2+]CC(C)(F)F)c2c1c(F)ccc2O ZINC000815644504 631811416 /nfs/dbraw/zinc/81/14/16/631811416.db2.gz DASYIDSWYQNQIH-CBAPKCEASA-N 1 1 259.271 3.324 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816483837 631988992 /nfs/dbraw/zinc/98/89/92/631988992.db2.gz HCTVTYMFPJKULO-HNNXBMFYSA-N 1 1 271.360 3.156 20 10 CGCDMO C[N@H+](Cc1ccc2ccccc2c1O)C[C@H]1CCCO1 ZINC000816484756 631989605 /nfs/dbraw/zinc/98/96/05/631989605.db2.gz NNHJOPPEKWTQAW-OAHLLOKOSA-N 1 1 271.360 3.156 20 10 CGCDMO CN(C)[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816501308 631995802 /nfs/dbraw/zinc/99/58/02/631995802.db2.gz FBMTVAJMLDMNLV-INIZCTEOSA-N 1 1 284.403 3.071 20 10 CGCDMO C[NH+](C)[C@H]1CCCN(Cc2ccc3ccccc3c2O)C1 ZINC000816501308 631995806 /nfs/dbraw/zinc/99/58/06/631995806.db2.gz FBMTVAJMLDMNLV-INIZCTEOSA-N 1 1 284.403 3.071 20 10 CGCDMO CO[C@@H](C)C[N@H+](Cc1cc(Cl)c(F)cc1O)C(C)C ZINC000816515370 632000003 /nfs/dbraw/zinc/00/00/03/632000003.db2.gz XXJHHZPRAXNLAF-JTQLQIEISA-N 1 1 289.778 3.430 20 10 CGCDMO CO[C@@H](C)C[N@@H+](Cc1cc(Cl)c(F)cc1O)C(C)C ZINC000816515370 632000006 /nfs/dbraw/zinc/00/00/06/632000006.db2.gz XXJHHZPRAXNLAF-JTQLQIEISA-N 1 1 289.778 3.430 20 10 CGCDMO C[N@H+](Cc1ccc[nH]1)Cc1cc(Cl)c(F)cc1O ZINC000816519832 632002328 /nfs/dbraw/zinc/00/23/28/632002328.db2.gz XNDPGZIEPGHBAE-UHFFFAOYSA-N 1 1 268.719 3.145 20 10 CGCDMO C[N@@H+](Cc1ccc[nH]1)Cc1cc(Cl)c(F)cc1O ZINC000816519832 632002333 /nfs/dbraw/zinc/00/23/33/632002333.db2.gz XNDPGZIEPGHBAE-UHFFFAOYSA-N 1 1 268.719 3.145 20 10 CGCDMO C[N@H+](Cc1cc(Cl)c(F)cc1O)[C@@H](CO)C(C)(C)C ZINC000816518864 632002408 /nfs/dbraw/zinc/00/24/08/632002408.db2.gz PRXZSIWBFXMTLE-ZDUSSCGKSA-N 1 1 289.778 3.024 20 10 CGCDMO C[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@@H](CO)C(C)(C)C ZINC000816518864 632002412 /nfs/dbraw/zinc/00/24/12/632002412.db2.gz PRXZSIWBFXMTLE-ZDUSSCGKSA-N 1 1 289.778 3.024 20 10 CGCDMO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816564366 632013233 /nfs/dbraw/zinc/01/32/33/632013233.db2.gz COEVEDSMEQGISL-UKRRQHHQSA-N 1 1 285.387 3.138 20 10 CGCDMO CCSCCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816599140 632021201 /nfs/dbraw/zinc/02/12/01/632021201.db2.gz DKANEMOSANDTIJ-UHFFFAOYSA-N 1 1 277.792 3.418 20 10 CGCDMO CCC[C@]1([NH2+]Cc2cc(Cl)c(F)cc2O)CCOC1 ZINC000816608527 632022501 /nfs/dbraw/zinc/02/25/01/632022501.db2.gz BNNYTXFJDGRVKQ-AWEZNQCLSA-N 1 1 287.762 3.234 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@@H](CCO)CC2)ccc1N(C)C ZINC000817297630 632117179 /nfs/dbraw/zinc/11/71/79/632117179.db2.gz TZCCVCGUDJRAEO-MRXNPFEDSA-N 1 1 290.451 3.046 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](C3CCCC3)C1)OCO2 ZINC000817369109 632133748 /nfs/dbraw/zinc/13/37/48/632133748.db2.gz RLQWWOWAQPOLGF-ZDUSSCGKSA-N 1 1 289.375 3.133 20 10 CGCDMO CN(C)c1ccc([C@H]([NH3+])CN[C@H]2CCc3ccccc32)cc1 ZINC000817938893 632238655 /nfs/dbraw/zinc/23/86/55/632238655.db2.gz VFBAKPXUFXFHIS-MOPGFXCFSA-N 1 1 295.430 3.030 20 10 CGCDMO CC[NH2+]CCC[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000817942661 632240353 /nfs/dbraw/zinc/24/03/53/632240353.db2.gz CGJUSRSOKYHCBP-CYBMUJFWSA-N 1 1 270.804 3.086 20 10 CGCDMO CC[C@H](NCC([NH3+])(CC)CC)c1ccc(N(C)C)cc1 ZINC000817961174 632257564 /nfs/dbraw/zinc/25/75/64/632257564.db2.gz YJIZORVKRYVABH-INIZCTEOSA-N 1 1 277.456 3.311 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000817970165 632263205 /nfs/dbraw/zinc/26/32/05/632263205.db2.gz MUSFFHKDYWESGW-WRWORJQWSA-N 1 1 277.195 3.087 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc2ccccc2c1[O-] ZINC000817971671 632263861 /nfs/dbraw/zinc/26/38/61/632263861.db2.gz OVPGKUBBVWQQME-GDZNZVCISA-N 1 1 284.403 3.194 20 10 CGCDMO C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000817977235 632269235 /nfs/dbraw/zinc/26/92/35/632269235.db2.gz FICUFZMBSDZUML-STQMWFEESA-N 1 1 272.392 3.323 20 10 CGCDMO C[N@@H+](CC[C@H]1CC1(Cl)Cl)Cc1ccccc1O ZINC000822740108 633013767 /nfs/dbraw/zinc/01/37/67/633013767.db2.gz MDOUZGBNPNXMHW-NSHDSACASA-N 1 1 274.191 3.408 20 10 CGCDMO F[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000824570691 633261058 /nfs/dbraw/zinc/26/10/58/633261058.db2.gz DSNCIOSBYMWMDE-HNNXBMFYSA-N 1 1 262.372 3.221 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](OC)[C@@H](C)C2)cc1 ZINC000824815471 633294793 /nfs/dbraw/zinc/29/47/93/633294793.db2.gz QBCITQLOAXXCAA-MAUKXSAKSA-N 1 1 290.451 3.390 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)[C@H](CO)CC(C)(C)C)c1O ZINC000825039983 633320713 /nfs/dbraw/zinc/32/07/13/633320713.db2.gz FAKPDHHIXPKTSP-AWEZNQCLSA-N 1 1 295.423 3.020 20 10 CGCDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(C)ccc2O)C12CCC2 ZINC000825104325 633328601 /nfs/dbraw/zinc/32/86/01/633328601.db2.gz UFEKXRXPXBIUDG-HZPDHXFCSA-N 1 1 275.392 3.090 20 10 CGCDMO COC[C@@H]1CCCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000825293959 633342705 /nfs/dbraw/zinc/34/27/05/633342705.db2.gz FWBZGRYXGYNDIK-HNNXBMFYSA-N 1 1 263.381 3.010 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)cc1Cl ZINC000825731039 633378229 /nfs/dbraw/zinc/37/82/29/633378229.db2.gz CIZDJWWHHKTRLA-TZMCWYRMSA-N 1 1 297.826 3.479 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)CC2=CCCOC2)c(Cl)c1 ZINC000827190792 633469031 /nfs/dbraw/zinc/46/90/31/633469031.db2.gz YUNIPOJPIQVTGM-UHFFFAOYSA-N 1 1 281.783 3.133 20 10 CGCDMO CCc1cccc(C[N@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1O ZINC000827958148 633540814 /nfs/dbraw/zinc/54/08/14/633540814.db2.gz YYWWKRXFPICEEW-BDJLRTHQSA-N 1 1 299.361 3.199 20 10 CGCDMO Cc1cc(C[N@H+]2CCOC[C@@H]2C2CCC2)ccc1N(C)C ZINC000830213351 633839848 /nfs/dbraw/zinc/83/98/48/633839848.db2.gz CEHZYEQFKSNIHH-GOSISDBHSA-N 1 1 288.435 3.062 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc(O)ccc1F ZINC000872031618 633950409 /nfs/dbraw/zinc/95/04/09/633950409.db2.gz RKFGZJZPFJTYGY-LLVKDONJSA-N 1 1 287.334 3.317 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000832348917 634051577 /nfs/dbraw/zinc/05/15/77/634051577.db2.gz UDGBSULTDXHKLC-SFHVURJKSA-N 1 1 288.435 3.145 20 10 CGCDMO CCCOc1ccc(C[NH2+][C@H]2CCc3[nH]cnc3C2)cc1C ZINC000873126990 634251781 /nfs/dbraw/zinc/25/17/81/634251781.db2.gz GBXOWCIOYPXFMA-HNNXBMFYSA-N 1 1 299.418 3.154 20 10 CGCDMO Cc1ncsc1CC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000834880843 634264617 /nfs/dbraw/zinc/26/46/17/634264617.db2.gz DNHICNZPKWUZNM-MRVPVSSYSA-N 1 1 298.358 3.329 20 10 CGCDMO C[N@@H+](CCCCCC[NH3+])Cc1c([O-])ccc(Cl)c1F ZINC000873231423 634293181 /nfs/dbraw/zinc/29/31/81/634293181.db2.gz IJVOOBAYOYAYAF-UHFFFAOYSA-N 1 1 288.794 3.136 20 10 CGCDMO CCn1cc(C[N@@H+](C)C/C=C/c2ccc(N(C)C)cc2)cn1 ZINC000835029849 634325499 /nfs/dbraw/zinc/32/54/99/634325499.db2.gz SZEDUNKTJPOYEB-VOTSOKGWSA-N 1 1 298.434 3.114 20 10 CGCDMO CN(C)c1ccc(C=CC[NH2+][C@@H]2CCCc3c[nH]nc32)cc1 ZINC000835043109 634330432 /nfs/dbraw/zinc/33/04/32/634330432.db2.gz MVCBOZQIUOLJPF-VGOKWCNXSA-N 1 1 296.418 3.156 20 10 CGCDMO CO[C@@H]1C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CC[C@@H]1C ZINC000835045143 634332789 /nfs/dbraw/zinc/33/27/89/634332789.db2.gz JQEQOYQVTNSJEI-RBVSRTDUSA-N 1 1 288.435 3.123 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@](C)(O)CC2)cc1 ZINC000835055035 634339810 /nfs/dbraw/zinc/33/98/10/634339810.db2.gz VDQJXPCYMMNGHU-SUZKBHRPSA-N 1 1 288.435 3.003 20 10 CGCDMO CN(CCC[NH2+]Cc1ccccc1O)Cc1ccccc1 ZINC000019913238 634375727 /nfs/dbraw/zinc/37/57/27/634375727.db2.gz KPHWFRZJJGMHGD-UHFFFAOYSA-N 1 1 284.403 3.004 20 10 CGCDMO COc1ccccc1C[N@@H+](C)Cc1c(C)cccc1O ZINC000876533620 634851556 /nfs/dbraw/zinc/85/15/56/634851556.db2.gz UUVRDXYJVMSZTR-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO COCC[N@@H+](Cc1cccs1)Cc1c(C)cccc1O ZINC000876547009 634854722 /nfs/dbraw/zinc/85/47/22/634854722.db2.gz DJGNIMPGLOKQJX-UHFFFAOYSA-N 1 1 291.416 3.411 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000876560989 634857401 /nfs/dbraw/zinc/85/74/01/634857401.db2.gz ILVAFHIPKWZHGE-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO CCCN1CCC([N@H+](C)Cc2c(C)cccc2O)CC1 ZINC000876623411 634869801 /nfs/dbraw/zinc/86/98/01/634869801.db2.gz HEFIEOJUCDYXBA-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO CCCN1CCC([N@@H+](C)Cc2c(C)cccc2O)CC1 ZINC000876623411 634869805 /nfs/dbraw/zinc/86/98/05/634869805.db2.gz HEFIEOJUCDYXBA-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO CCCO[C@@H]1CCC[N@@H+](Cc2c(C)cccc2O)CC1 ZINC000876719898 634885068 /nfs/dbraw/zinc/88/50/68/634885068.db2.gz AMDLSRVDDZJZMT-OAHLLOKOSA-N 1 1 277.408 3.482 20 10 CGCDMO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(C)cc1O)C2 ZINC000876715669 634885958 /nfs/dbraw/zinc/88/59/58/634885958.db2.gz PELDAOPAUBNWPT-UHFFFAOYSA-N 1 1 297.354 3.003 20 10 CGCDMO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(C)cc1O)C2 ZINC000876715669 634885960 /nfs/dbraw/zinc/88/59/60/634885960.db2.gz PELDAOPAUBNWPT-UHFFFAOYSA-N 1 1 297.354 3.003 20 10 CGCDMO COC1CCC([N@@H+](C)Cc2c(C)cccc2O)CC1 ZINC000876738243 634887636 /nfs/dbraw/zinc/88/76/36/634887636.db2.gz YXWKQMFYKNZNDH-UHFFFAOYSA-N 1 1 263.381 3.090 20 10 CGCDMO Cc1ccc(C[N@H+]2CCCC3(CCOCC3)C2)c(O)c1 ZINC000876745241 634890597 /nfs/dbraw/zinc/89/05/97/634890597.db2.gz JCBZENXGBJGQBW-UHFFFAOYSA-N 1 1 275.392 3.093 20 10 CGCDMO CN(C)c1ccc(C[NH2+]Cc2nc(Cl)cs2)cc1 ZINC000876906198 634926309 /nfs/dbraw/zinc/92/63/09/634926309.db2.gz SXKDLXQBYZRWAT-UHFFFAOYSA-N 1 1 281.812 3.152 20 10 CGCDMO CN(C)c1ccc(C[NH2+]Cc2cc(C3CC3)no2)cc1F ZINC000876988733 634945671 /nfs/dbraw/zinc/94/56/71/634945671.db2.gz LBIRJTMTPPPHDH-UHFFFAOYSA-N 1 1 289.354 3.047 20 10 CGCDMO Cc1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)nn1 ZINC000840910144 635080047 /nfs/dbraw/zinc/08/00/47/635080047.db2.gz LEEIZAYKIIZAAO-UHFFFAOYSA-N 1 1 296.418 3.016 20 10 CGCDMO CC[N@H+](Cc1c(O)cc(C)cc1Cl)C[C@H]1CCCO1 ZINC000840911584 635081298 /nfs/dbraw/zinc/08/12/98/635081298.db2.gz IOJABFITARABIY-GFCCVEGCSA-N 1 1 283.799 3.355 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c(Cl)c1 ZINC000840916226 635081728 /nfs/dbraw/zinc/08/17/28/635081728.db2.gz HXUGPPRGWJMQBT-CHWSQXEVSA-N 1 1 295.810 3.212 20 10 CGCDMO CCC[C@@]1(CO)CC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840946184 635089066 /nfs/dbraw/zinc/08/90/66/635089066.db2.gz HUZXNLHOOXYRCX-MRXNPFEDSA-N 1 1 297.826 3.339 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000840951135 635090368 /nfs/dbraw/zinc/09/03/68/635090368.db2.gz SQEOAANWKHEHAA-LJQANCHMSA-N 1 1 298.430 3.226 20 10 CGCDMO Cc1ccc(C[N@H+](Cc2cnn(C)c2)CC(C)C)c(O)c1 ZINC000877579150 635100131 /nfs/dbraw/zinc/10/01/31/635100131.db2.gz MQTLZLRUSAEJMM-UHFFFAOYSA-N 1 1 287.407 3.092 20 10 CGCDMO C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000841029304 635109423 /nfs/dbraw/zinc/10/94/23/635109423.db2.gz PDODMHFPCCHWDL-LLVKDONJSA-N 1 1 290.794 3.355 20 10 CGCDMO COc1cc(C)c(C[N@H+]2Cc3cccc(O)c3C2)cc1OC ZINC000877702947 635154310 /nfs/dbraw/zinc/15/43/10/635154310.db2.gz LHTXKKQURVLWRU-UHFFFAOYSA-N 1 1 299.370 3.234 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877737328 635171427 /nfs/dbraw/zinc/17/14/27/635171427.db2.gz FMJCLIUINTUSIS-PWSUYJOCSA-N 1 1 283.824 3.231 20 10 CGCDMO COCCCC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841743863 635222065 /nfs/dbraw/zinc/22/20/65/635222065.db2.gz CQPXNILJHGMDHG-SNVBAGLBSA-N 1 1 257.761 3.123 20 10 CGCDMO C[C@H]([NH2+]CCC1(O)CCC1)c1ccc(Cl)cc1O ZINC000841750750 635225967 /nfs/dbraw/zinc/22/59/67/635225967.db2.gz ANSPMOMUIMCIAJ-JTQLQIEISA-N 1 1 269.772 3.001 20 10 CGCDMO C[C@H](Cc1cnn(C)c1)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841756927 635230255 /nfs/dbraw/zinc/23/02/55/635230255.db2.gz LPFGRWXCIHAKLV-GHMZBOCLSA-N 1 1 293.798 3.061 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCSC[C@H]1C1CCC1 ZINC000841894156 635249291 /nfs/dbraw/zinc/24/92/91/635249291.db2.gz SMQZIQDDFMOQIN-AWEZNQCLSA-N 1 1 263.406 3.110 20 10 CGCDMO CC[C@@H](C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1)OC ZINC000842148913 635295757 /nfs/dbraw/zinc/29/57/57/635295757.db2.gz IMWONGMPEJJYPG-KRWDZBQOSA-N 1 1 276.424 3.142 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)CC2(CCC2)O1 ZINC000842644676 635425496 /nfs/dbraw/zinc/42/54/96/635425496.db2.gz SSGJQTTXWBUHLU-CYBMUJFWSA-N 1 1 287.403 3.024 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)cc1C ZINC000842644199 635425551 /nfs/dbraw/zinc/42/55/51/635425551.db2.gz RFBJITSPXSOQGR-AWEZNQCLSA-N 1 1 275.392 3.152 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cc2n(n1)CCCC2 ZINC000842826130 635484073 /nfs/dbraw/zinc/48/40/73/635484073.db2.gz FQXCLYYMWZGKHO-AWEZNQCLSA-N 1 1 298.434 3.136 20 10 CGCDMO CC(C)[C@H]([NH3+])CCN(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000843056501 635553805 /nfs/dbraw/zinc/55/38/05/635553805.db2.gz OCAKMIYMKQGOHG-HPFMTEOYSA-N 1 1 289.467 3.071 20 10 CGCDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(N)nc1 ZINC000843060123 635555398 /nfs/dbraw/zinc/55/53/98/635555398.db2.gz DQUGKTSVKRAOMT-UHFFFAOYSA-N 1 1 298.434 3.140 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cc(Cl)ccc1[O-] ZINC000843344365 635652507 /nfs/dbraw/zinc/65/25/07/635652507.db2.gz XGJHRBRBDILRCY-NSHDSACASA-N 1 1 290.794 3.355 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1O ZINC000843416013 635662687 /nfs/dbraw/zinc/66/26/87/635662687.db2.gz FZHAFJWBEAWIGZ-JKSUJKDBSA-N 1 1 275.392 3.092 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCOC[C@H]2C2CCC2)cc1C ZINC000843429271 635673250 /nfs/dbraw/zinc/67/32/50/635673250.db2.gz UOJOFIWHRWLCNT-INIZCTEOSA-N 1 1 275.392 3.010 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC23CCCC3)c1 ZINC000845998937 636128352 /nfs/dbraw/zinc/12/83/52/636128352.db2.gz FIHXYKWRVPWBHM-UHFFFAOYSA-N 1 1 261.365 3.309 20 10 CGCDMO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000846013252 636129158 /nfs/dbraw/zinc/12/91/58/636129158.db2.gz JAOGXMKJBCPODJ-BXKDBHETSA-N 1 1 289.778 3.071 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@@H](c3ccncc3)C2)ccc1N(C)C ZINC000846911518 636279720 /nfs/dbraw/zinc/27/97/20/636279720.db2.gz RXARJESNUKWWLE-GOSISDBHSA-N 1 1 295.430 3.446 20 10 CGCDMO CCC[C@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000213669703 636481630 /nfs/dbraw/zinc/48/16/30/636481630.db2.gz OFIKTRJCSBREEC-ZDUSSCGKSA-N 1 1 277.364 3.276 20 10 CGCDMO C[C@@H]([NH2+]CC1(CO)CCCCC1)c1ccc(F)cc1O ZINC000130838324 636518457 /nfs/dbraw/zinc/51/84/57/636518457.db2.gz JHFPXTXPKGTWMN-GFCCVEGCSA-N 1 1 281.371 3.125 20 10 CGCDMO C[N@H+]1Cc2ccc(NCc3cc(F)cc(F)c3O)cc2C1 ZINC000883056474 636523036 /nfs/dbraw/zinc/52/30/36/636523036.db2.gz MPAQMSPLOXEJMU-UHFFFAOYSA-N 1 1 290.313 3.228 20 10 CGCDMO CCc1cccc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)c1O ZINC000848887298 636674359 /nfs/dbraw/zinc/67/43/59/636674359.db2.gz SFWKBQDLQJZGLK-RYUDHWBXSA-N 1 1 265.422 3.280 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@H](C3CCOCC3)C2)c1O ZINC000848889428 636676681 /nfs/dbraw/zinc/67/66/81/636676681.db2.gz KRARLEKAHDGCDD-INIZCTEOSA-N 1 1 289.419 3.203 20 10 CGCDMO CCc1cccc(C[N@H+]2CCS[C@H](C)CC2)c1O ZINC000848904721 636684351 /nfs/dbraw/zinc/68/43/51/636684351.db2.gz AQRNXVPXPGWCCT-GFCCVEGCSA-N 1 1 265.422 3.282 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@](C)(OC)CC2)c1O ZINC000848907909 636685431 /nfs/dbraw/zinc/68/54/31/636685431.db2.gz KUCIVORDULEVMG-KRWDZBQOSA-N 1 1 277.408 3.346 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@]2(C)CCCO)c1O ZINC000848912164 636687887 /nfs/dbraw/zinc/68/78/87/636687887.db2.gz NKGVBHZTIWLFRK-QGZVFWFLSA-N 1 1 277.408 3.082 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](OC3CCC3)C2)c1 ZINC000848924826 636697574 /nfs/dbraw/zinc/69/75/74/636697574.db2.gz CFLSVKVSNRFIHF-INIZCTEOSA-N 1 1 275.392 3.234 20 10 CGCDMO CCC(C)(C)N1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000848924956 636697586 /nfs/dbraw/zinc/69/75/86/636697586.db2.gz IRCSCZJKXZAQEP-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO Oc1c(Br)cccc1C[NH+]1CCCCC1 ZINC000132492708 636813572 /nfs/dbraw/zinc/81/35/72/636813572.db2.gz MCNODDBTNNMNSE-UHFFFAOYSA-N 1 1 270.170 3.141 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)CC2CCCCC2)c1 ZINC000133570110 636941892 /nfs/dbraw/zinc/94/18/92/636941892.db2.gz YSURKDOMUNJAOC-UHFFFAOYSA-N 1 1 263.381 3.413 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2(CC(C)C)CC2)c1 ZINC000850567277 637127115 /nfs/dbraw/zinc/12/71/15/637127115.db2.gz ZOEFAKGPDXFKBT-LBPRGKRZSA-N 1 1 291.391 3.408 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccc(F)cc1O ZINC000850570133 637127987 /nfs/dbraw/zinc/12/79/87/637127987.db2.gz DSTMJJWBMOMGLK-SMDDNHRTSA-N 1 1 281.371 3.387 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cc(F)cc(F)c1O ZINC000850571074 637128748 /nfs/dbraw/zinc/12/87/48/637128748.db2.gz MBSFTEYGAIQDCW-ZJUUUORDSA-N 1 1 285.334 3.136 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C)C[C@H]2C)c1O ZINC000135821894 637188445 /nfs/dbraw/zinc/18/84/45/637188445.db2.gz LOLLSWCHSACFCW-NXEZZACHSA-N 1 1 281.783 3.479 20 10 CGCDMO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC000109768860 637266048 /nfs/dbraw/zinc/26/60/48/637266048.db2.gz WSPQGGACMJJTSG-CQSZACIVSA-N 1 1 298.386 3.160 20 10 CGCDMO C[N@@H+](CCOC(F)F)Cc1ccc(N2CCCCC2)cc1 ZINC000851716194 637472180 /nfs/dbraw/zinc/47/21/80/637472180.db2.gz KPRWIINNQGYMCE-UHFFFAOYSA-N 1 1 298.377 3.348 20 10 CGCDMO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1c(O)cccc1F ZINC000886532396 637556734 /nfs/dbraw/zinc/55/67/34/637556734.db2.gz ILCXOLOSIBTRJV-DPDCMNJDSA-N 1 1 293.382 3.386 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)c1c(O)cccc1F)C1CCOCC1 ZINC000886535245 637559404 /nfs/dbraw/zinc/55/94/04/637559404.db2.gz XBQKNKMAWSUTAY-BXUZGUMPSA-N 1 1 281.371 3.387 20 10 CGCDMO CCc1cnc(CC[NH2+][C@H](C)c2c(O)cccc2F)s1 ZINC000886534727 637559993 /nfs/dbraw/zinc/55/99/93/637559993.db2.gz NJVXYJBXNYDWDM-SNVBAGLBSA-N 1 1 294.395 3.444 20 10 CGCDMO C[C@@H]([NH2+]CCCc1nccs1)c1c(O)cccc1F ZINC000886547693 637574626 /nfs/dbraw/zinc/57/46/26/637574626.db2.gz PXXDMINMYMFVBQ-SNVBAGLBSA-N 1 1 280.368 3.271 20 10 CGCDMO Cc1cncc(C[NH2+][C@@H](C)c2c(O)cccc2F)c1 ZINC000886558505 637580828 /nfs/dbraw/zinc/58/08/28/637580828.db2.gz LXYSMSRJCOWDNO-NSHDSACASA-N 1 1 260.312 3.086 20 10 CGCDMO CC[C@H](CSC)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886561916 637583781 /nfs/dbraw/zinc/58/37/81/637583781.db2.gz MLVSNRKTZPFLPQ-VHSXEESVSA-N 1 1 257.374 3.324 20 10 CGCDMO Cc1cc(C[NH2+][C@H](C)c2c(O)cccc2F)cc(C)n1 ZINC000886626422 637615975 /nfs/dbraw/zinc/61/59/75/637615975.db2.gz AYPQBZGTOGVPDE-GFCCVEGCSA-N 1 1 274.339 3.394 20 10 CGCDMO C[C@H](C[NH2+][C@H](C)c1c(O)cccc1F)c1ccccn1 ZINC000886634384 637621187 /nfs/dbraw/zinc/62/11/87/637621187.db2.gz CORVPURZGKRLCH-VXGBXAGGSA-N 1 1 274.339 3.381 20 10 CGCDMO C[C@H](O)[C@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1ccccc1 ZINC000886640327 637624611 /nfs/dbraw/zinc/62/46/11/637624611.db2.gz WTTKSDSQPLJBBI-PRXAMGSTSA-N 1 1 289.350 3.304 20 10 CGCDMO C[C@@H]([NH2+]CCCc1ccco1)c1c(O)cccc1F ZINC000886640122 637625049 /nfs/dbraw/zinc/62/50/49/637625049.db2.gz SCOHZHURUBBKIB-LLVKDONJSA-N 1 1 263.312 3.408 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000886818907 637706655 /nfs/dbraw/zinc/70/66/55/637706655.db2.gz LOWQOXSNNZNVHJ-SJLPKXTDSA-N 1 1 288.435 3.144 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC3CC2(C)C3)c1O ZINC000852785287 637712830 /nfs/dbraw/zinc/71/28/30/637712830.db2.gz FGQQDWLSZJRQGZ-UHFFFAOYSA-N 1 1 279.767 3.233 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC3CC2(C)C3)c1O ZINC000852785287 637712833 /nfs/dbraw/zinc/71/28/33/637712833.db2.gz FGQQDWLSZJRQGZ-UHFFFAOYSA-N 1 1 279.767 3.233 20 10 CGCDMO C[C@H]([NH2+]CCOCCF)c1cc(Cl)c(Cl)cc1O ZINC000853238771 637790451 /nfs/dbraw/zinc/79/04/51/637790451.db2.gz QHRKAICBCTWJRE-QMMMGPOBSA-N 1 1 296.169 3.336 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1ccc(F)cc1O ZINC000854226109 638027710 /nfs/dbraw/zinc/02/77/10/638027710.db2.gz NXAOAAJYGKXNHG-QFYYESIMSA-N 1 1 286.350 3.452 20 10 CGCDMO Cc1ccncc1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858171942 638649138 /nfs/dbraw/zinc/64/91/38/638649138.db2.gz FCFZLLWVQRACDL-UHFFFAOYSA-N 1 1 291.345 3.024 20 10 CGCDMO C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccns1 ZINC000858317127 638679113 /nfs/dbraw/zinc/67/91/13/638679113.db2.gz RETAUXHNBDIABB-SSDOTTSWSA-N 1 1 286.759 3.492 20 10 CGCDMO CCc1onc(C)c1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000929225331 638910616 /nfs/dbraw/zinc/91/06/16/638910616.db2.gz KJBQWMOCAKSUQC-UHFFFAOYSA-N 1 1 287.407 3.243 20 10 CGCDMO CCC[N@@H+](C/C=C(\C)COC)Cc1ccccc1O ZINC000929753116 638947030 /nfs/dbraw/zinc/94/70/30/638947030.db2.gz LJAAXATVDXCLAM-NTEUORMPSA-N 1 1 263.381 3.197 20 10 CGCDMO CCC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)CC1CC1 ZINC000048994778 640078114 /nfs/dbraw/zinc/07/81/14/640078114.db2.gz CIQVSDOGMNZBKP-UHFFFAOYSA-N 1 1 279.355 3.356 20 10 CGCDMO CCC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)CC1CC1 ZINC000048994778 640078122 /nfs/dbraw/zinc/07/81/22/640078122.db2.gz CIQVSDOGMNZBKP-UHFFFAOYSA-N 1 1 279.355 3.356 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)CCc2ccccn2)cc1C ZINC000193229197 640442386 /nfs/dbraw/zinc/44/23/86/640442386.db2.gz DREDCVMJBPPCNG-UHFFFAOYSA-N 1 1 270.376 3.079 20 10 CGCDMO Cc1noc(C)c1C[N@H+](C)Cc1cc(Cl)ccc1O ZINC000091812647 640723099 /nfs/dbraw/zinc/72/30/99/640723099.db2.gz DFIKNFXAFCPPDG-UHFFFAOYSA-N 1 1 280.755 3.282 20 10 CGCDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)ccc1O ZINC000091892542 640725494 /nfs/dbraw/zinc/72/54/94/640725494.db2.gz GAACKKGKZMZVFF-CABCVRRESA-N 1 1 294.826 3.104 20 10 CGCDMO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)ccc1O ZINC000091892542 640725498 /nfs/dbraw/zinc/72/54/98/640725498.db2.gz GAACKKGKZMZVFF-CABCVRRESA-N 1 1 294.826 3.104 20 10 CGCDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)ccc1O ZINC000091892542 640725504 /nfs/dbraw/zinc/72/55/04/640725504.db2.gz GAACKKGKZMZVFF-CABCVRRESA-N 1 1 294.826 3.104 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@@H](C)C2(C)CC2)c1 ZINC000091900868 640726389 /nfs/dbraw/zinc/72/63/89/640726389.db2.gz BRAKLQVFCYMTDS-LBPRGKRZSA-N 1 1 263.381 3.411 20 10 CGCDMO Oc1cccc2c1C[N@H+](C1CCC(F)(F)CC1)CC2 ZINC001254225557 806373554 /nfs/dbraw/zinc/37/35/54/806373554.db2.gz XVMYYLHRBHTAMV-UHFFFAOYSA-N 1 1 267.319 3.328 20 10 CGCDMO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2cc3c(cc2O)OCO3)C1 ZINC000025484188 798839783 /nfs/dbraw/zinc/83/97/83/798839783.db2.gz NMSKSZNXZGPKBV-DGCLKSJQSA-N 1 1 277.364 3.131 20 10 CGCDMO CCC[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000037323140 798866673 /nfs/dbraw/zinc/86/66/73/798866673.db2.gz KFIYHDNLNOCNAL-UHFFFAOYSA-N 1 1 255.745 3.090 20 10 CGCDMO CCC[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000037323140 798866676 /nfs/dbraw/zinc/86/66/76/798866676.db2.gz KFIYHDNLNOCNAL-UHFFFAOYSA-N 1 1 255.745 3.090 20 10 CGCDMO Oc1cc2c(cc1CNc1cccc3cc[nH+]cc31)OCO2 ZINC000316644513 799242480 /nfs/dbraw/zinc/24/24/80/799242480.db2.gz BAUNKPGOKKVJCT-UHFFFAOYSA-N 1 1 294.310 3.281 20 10 CGCDMO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)s1 ZINC000391804710 799478157 /nfs/dbraw/zinc/47/81/57/799478157.db2.gz ISEUBGURORXXKM-YUMQZZPRSA-N 1 1 281.356 3.103 20 10 CGCDMO CC[C@@]1(C)CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000399276745 799537995 /nfs/dbraw/zinc/53/79/95/799537995.db2.gz DMUPWBRJZSKIKT-INIZCTEOSA-N 1 1 279.355 3.356 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+]2CCOC(C)(C)[C@H]2C)c1O ZINC000687954526 799741762 /nfs/dbraw/zinc/74/17/62/799741762.db2.gz RFZULALNTDVRJD-SNVBAGLBSA-N 1 1 299.798 3.054 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CCOC(C)(C)[C@H]2C)c1O ZINC000687954526 799741767 /nfs/dbraw/zinc/74/17/67/799741767.db2.gz RFZULALNTDVRJD-SNVBAGLBSA-N 1 1 299.798 3.054 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCCC(F)(F)CC1 ZINC000702763174 799912157 /nfs/dbraw/zinc/91/21/57/799912157.db2.gz AJARQUNEQSGYQW-UHFFFAOYSA-N 1 1 259.271 3.153 20 10 CGCDMO C[N@H+](CCC(F)(F)F)Cc1cc(F)cc(F)c1O ZINC000708384323 799986482 /nfs/dbraw/zinc/98/64/82/799986482.db2.gz POPJBNSGZHTSSC-UHFFFAOYSA-N 1 1 269.213 3.055 20 10 CGCDMO C[N@@H+](CCC(F)(F)F)Cc1cc(F)cc(F)c1O ZINC000708384323 799986494 /nfs/dbraw/zinc/98/64/94/799986494.db2.gz POPJBNSGZHTSSC-UHFFFAOYSA-N 1 1 269.213 3.055 20 10 CGCDMO C[C@@]1(C[NH2+]Cc2cc(F)cc(F)c2O)CCCS1 ZINC000708466161 799988956 /nfs/dbraw/zinc/98/89/56/799988956.db2.gz NZTTVJDTHKAACS-ZDUSSCGKSA-N 1 1 273.348 3.046 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]CC1=CCCCC1 ZINC000708516523 799990404 /nfs/dbraw/zinc/99/04/04/799990404.db2.gz JACGHXLHMWRBEM-UHFFFAOYSA-N 1 1 253.292 3.260 20 10 CGCDMO CC[N@@H+](Cc1cc(Cl)ccc1O)C1CCOCC1 ZINC000716478466 800172501 /nfs/dbraw/zinc/17/25/01/800172501.db2.gz KLIXBXFMMHMGKP-UHFFFAOYSA-N 1 1 269.772 3.047 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C1(C2CCC2)CCC1 ZINC000717820126 800205742 /nfs/dbraw/zinc/20/57/42/800205742.db2.gz RJNBOOKSVWQAQO-UHFFFAOYSA-N 1 1 267.319 3.483 20 10 CGCDMO C[C@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccc(F)cc1O ZINC000719582793 800244922 /nfs/dbraw/zinc/24/49/22/800244922.db2.gz MPWKASRGEHOJKY-VIFPVBQESA-N 1 1 292.379 3.327 20 10 CGCDMO C[C@H]1CCC[C@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)O1 ZINC000850379326 800517883 /nfs/dbraw/zinc/51/78/83/800517883.db2.gz LAVGVWGTIGMQRD-VHSXEESVSA-N 1 1 287.762 3.232 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)CC1(O)CCCC1 ZINC001116444131 802351424 /nfs/dbraw/zinc/35/14/24/802351424.db2.gz RSXVXNNCVKDPKR-UHFFFAOYSA-N 1 1 288.435 3.024 20 10 CGCDMO Nc1ccc(C[N@H+]2CC[C@H](COc3ccccc3)C2)cc1 ZINC001120370858 802742303 /nfs/dbraw/zinc/74/23/03/802742303.db2.gz HRXJYYRGHBHRDT-INIZCTEOSA-N 1 1 282.387 3.170 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)C[C@H](C)C(F)(F)F ZINC001208892060 813884366 /nfs/dbraw/zinc/88/43/66/813884366.db2.gz NHOJKWWODOYRTB-JTQLQIEISA-N 1 1 261.287 3.413 20 10 CGCDMO C[C@@]1(F)CCC[N@H+](Cc2c(O)cccc2F)CC1 ZINC001137831502 803778237 /nfs/dbraw/zinc/77/82/37/803778237.db2.gz BWTUTRZFQGGRBW-CQSZACIVSA-N 1 1 255.308 3.245 20 10 CGCDMO C[C@@]1(F)CCC[N@@H+](Cc2c(O)cccc2F)CC1 ZINC001137831502 803778244 /nfs/dbraw/zinc/77/82/44/803778244.db2.gz BWTUTRZFQGGRBW-CQSZACIVSA-N 1 1 255.308 3.245 20 10 CGCDMO C[N@H+](CCOc1ccccc1)Cc1c(O)cccc1F ZINC001137837351 803780363 /nfs/dbraw/zinc/78/03/63/803780363.db2.gz CERQBSIJQGNJON-UHFFFAOYSA-N 1 1 275.323 3.042 20 10 CGCDMO C[N@@H+](CCOc1ccccc1)Cc1c(O)cccc1F ZINC001137837351 803780367 /nfs/dbraw/zinc/78/03/67/803780367.db2.gz CERQBSIJQGNJON-UHFFFAOYSA-N 1 1 275.323 3.042 20 10 CGCDMO CC(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138220656 803874932 /nfs/dbraw/zinc/87/49/32/803874932.db2.gz LBKLVFDDSCHGCA-KRWDZBQOSA-N 1 1 286.419 3.088 20 10 CGCDMO Cc1c(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)c2ccccc2n1C ZINC001138252346 803880839 /nfs/dbraw/zinc/88/08/39/803880839.db2.gz CZONYFUMDRWKAV-ACJLOTCBSA-N 1 1 286.419 3.080 20 10 CGCDMO Cc1c(C[N@H+]2CCC[C@@H]2C(C)(C)O)c2ccccc2n1C ZINC001138257899 803883036 /nfs/dbraw/zinc/88/30/36/803883036.db2.gz CBTYOZLCLWQMLX-QGZVFWFLSA-N 1 1 286.419 3.222 20 10 CGCDMO Cc1c(C[N@H+]2CCC[C@@H]2CF)c2ccccc2n1C ZINC001138259700 803883374 /nfs/dbraw/zinc/88/33/74/803883374.db2.gz MMEGTDTZRGKVOU-CYBMUJFWSA-N 1 1 260.356 3.421 20 10 CGCDMO Cc1c(C[N@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c2ccccc2n1C ZINC001138260625 803883399 /nfs/dbraw/zinc/88/33/99/803883399.db2.gz NCJHGNQWZFLGSW-RHSMWYFYSA-N 1 1 296.414 3.288 20 10 CGCDMO Cc1c(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)c2ccccc2n1C ZINC001138258024 803883774 /nfs/dbraw/zinc/88/37/74/803883774.db2.gz ISDJSZYWVJYTKD-KSSFIOAISA-N 1 1 284.403 3.098 20 10 CGCDMO Cc1c(C[N@H+]2CCc3cccnc3C2)c2ccccc2n1C ZINC001138258012 803884700 /nfs/dbraw/zinc/88/47/00/803884700.db2.gz IEQWQIOAELAMPA-UHFFFAOYSA-N 1 1 291.398 3.440 20 10 CGCDMO CC[N@@H+](Cc1ccnc(Cl)c1)Cc1ccccc1O ZINC001138819591 804046492 /nfs/dbraw/zinc/04/64/92/804046492.db2.gz GSWJLLSLFYTONA-UHFFFAOYSA-N 1 1 276.767 3.463 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@@](C)(F)C2)ccc1N(C)C ZINC001139669606 804245121 /nfs/dbraw/zinc/24/51/21/804245121.db2.gz DCZIKYJQGDVINR-MRXNPFEDSA-N 1 1 264.388 3.385 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCc3c(O)cccc3C2)c1O ZINC001140178143 804395190 /nfs/dbraw/zinc/39/51/90/804395190.db2.gz AKKRBIILZHYTOO-UHFFFAOYSA-N 1 1 283.371 3.273 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCC[C@]3(CCOC3)C2)c1O ZINC001140181983 804397338 /nfs/dbraw/zinc/39/73/38/804397338.db2.gz ZDFGEIXRMBVUHK-KRWDZBQOSA-N 1 1 275.392 3.012 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+]2CCN(C)CC23CCCC3)c1O ZINC001140185505 804398668 /nfs/dbraw/zinc/39/86/68/804398668.db2.gz XYDZNZAICVSAMI-UHFFFAOYSA-N 1 1 288.435 3.069 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)CC[C@@]1(C)O ZINC001140337723 804417913 /nfs/dbraw/zinc/41/79/13/804417913.db2.gz BCSPTPFDRCALOL-IAQYHMDHSA-N 1 1 283.799 3.029 20 10 CGCDMO C[N@H+]1CCN(Cc2c(O)cccc2Cl)C2(CCCC2)C1 ZINC001140342438 804420915 /nfs/dbraw/zinc/42/09/15/804420915.db2.gz JCNFXJIWDZLZNT-UHFFFAOYSA-N 1 1 294.826 3.106 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2O)C2(CC2)C1 ZINC001140464351 804441170 /nfs/dbraw/zinc/44/11/70/804441170.db2.gz MJUKBLIPMUYOFO-JTQLQIEISA-N 1 1 251.757 3.420 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](CF)C1 ZINC001140467506 804444268 /nfs/dbraw/zinc/44/42/68/804444268.db2.gz WDVWWMOPKZUFTR-JTQLQIEISA-N 1 1 257.736 3.227 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](OCc3ccccc3)C2)c1 ZINC001140621348 804476347 /nfs/dbraw/zinc/47/63/47/804476347.db2.gz YLBQJUYKEOBGBC-GOSISDBHSA-N 1 1 297.398 3.492 20 10 CGCDMO CCCCCCN1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC001140620874 804477016 /nfs/dbraw/zinc/47/70/16/804477016.db2.gz CVHNJFWEZPWNMW-UHFFFAOYSA-N 1 1 290.451 3.399 20 10 CGCDMO CC1(C)CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140660424 804485568 /nfs/dbraw/zinc/48/55/68/804485568.db2.gz RHTAWUGBVSHLRS-UHFFFAOYSA-N 1 1 292.398 3.037 20 10 CGCDMO C[C@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140662119 804487260 /nfs/dbraw/zinc/48/72/60/804487260.db2.gz FYFVGJRGARBOBO-AWEZNQCLSA-N 1 1 292.398 3.037 20 10 CGCDMO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H](C)[C@@H](C)C2)c1O ZINC001140742160 804503623 /nfs/dbraw/zinc/50/36/23/804503623.db2.gz JFGADYBWMLJGRZ-NEPJUHHUSA-N 1 1 263.381 3.274 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1O ZINC001140747364 804504953 /nfs/dbraw/zinc/50/49/53/804504953.db2.gz AJIFLWQZOOKUPC-GXTWGEPZSA-N 1 1 261.365 3.171 20 10 CGCDMO Cc1cccc(CC[N@H+](C)Cc2ccc(O)c(C)c2O)c1 ZINC001140749019 804505116 /nfs/dbraw/zinc/50/51/16/804505116.db2.gz ONFSSQPUOZPIEC-UHFFFAOYSA-N 1 1 285.387 3.389 20 10 CGCDMO CC[N@@H+](Cc1ccc(OC)c(N)c1)Cc1ccccc1O ZINC001140898235 804545478 /nfs/dbraw/zinc/54/54/78/804545478.db2.gz DEQZOINEIVEZJE-UHFFFAOYSA-N 1 1 286.375 3.005 20 10 CGCDMO CN(C)c1ccc(C[NH+]2CC3(C2)CCCOC3)c(Cl)c1 ZINC001140922409 804549019 /nfs/dbraw/zinc/54/90/19/804549019.db2.gz QJGVIZYZWWQYLP-UHFFFAOYSA-N 1 1 294.826 3.018 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@](C)(O)C2)c(Cl)c1 ZINC001140921549 804549691 /nfs/dbraw/zinc/54/96/91/804549691.db2.gz HNLLVWLFUCHBBB-INIZCTEOSA-N 1 1 296.842 3.143 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@@H](OCc3ccccc3)C2)c(O)c1 ZINC001140949387 804556810 /nfs/dbraw/zinc/55/68/10/804556810.db2.gz APIZVCMBGIRIFO-GOSISDBHSA-N 1 1 297.398 3.492 20 10 CGCDMO CCC[N@H+](Cc1ccc2c(c1)OCCN2C)CC1CC1 ZINC001141139137 804596404 /nfs/dbraw/zinc/59/64/04/804596404.db2.gz KDVZBRKONPYSNR-UHFFFAOYSA-N 1 1 274.408 3.137 20 10 CGCDMO C[N@H+](Cc1cc(F)c(F)cc1[O-])CC1CCCC1 ZINC001142527528 804733450 /nfs/dbraw/zinc/73/34/50/804733450.db2.gz XZOSYMXKFDTNJU-UHFFFAOYSA-N 1 1 255.308 3.292 20 10 CGCDMO C[N@@H+](Cc1cc(F)c(F)cc1O)CC1CCCC1 ZINC001142527528 804733452 /nfs/dbraw/zinc/73/34/52/804733452.db2.gz XZOSYMXKFDTNJU-UHFFFAOYSA-N 1 1 255.308 3.292 20 10 CGCDMO C[N@H+](Cc1cc(F)c(F)cc1O)CC1CCCC1 ZINC001142527528 804733458 /nfs/dbraw/zinc/73/34/58/804733458.db2.gz XZOSYMXKFDTNJU-UHFFFAOYSA-N 1 1 255.308 3.292 20 10 CGCDMO CN(C)[C@H]1CCC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143110817 804804471 /nfs/dbraw/zinc/80/44/71/804804471.db2.gz QDEGNKNPNALXOZ-HNNXBMFYSA-N 1 1 290.451 3.216 20 10 CGCDMO CN(C)[C@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143110817 804804479 /nfs/dbraw/zinc/80/44/79/804804479.db2.gz QDEGNKNPNALXOZ-HNNXBMFYSA-N 1 1 290.451 3.216 20 10 CGCDMO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144515043 804997263 /nfs/dbraw/zinc/99/72/63/804997263.db2.gz CKLSMLWTOSHWHS-INIZCTEOSA-N 1 1 299.370 3.313 20 10 CGCDMO CCOC(=O)CCC[C@@H](C)[N@@H+](CC)Cc1ccccc1O ZINC001258128510 807317114 /nfs/dbraw/zinc/31/71/14/807317114.db2.gz IXEBBZMSQPVANG-CQSZACIVSA-N 1 1 293.407 3.336 20 10 CGCDMO Oc1cccc2c1C[N@H+]([C@H]1CCc3cc(F)ccc3C1)CC2 ZINC001168444081 807417714 /nfs/dbraw/zinc/41/77/14/807417714.db2.gz FSKRZHIEXAUBJM-KRWDZBQOSA-N 1 1 297.373 3.447 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c(Cl)c1 ZINC001261366864 807739821 /nfs/dbraw/zinc/73/98/21/807739821.db2.gz IIHBQQIVEBGMQS-LRDDRELGSA-N 1 1 295.810 3.355 20 10 CGCDMO CC[C@@H](C)OCC[C@@H](C)[N@H+]1CCc2cccc(O)c2C1 ZINC001172345059 808244523 /nfs/dbraw/zinc/24/45/23/808244523.db2.gz DNXZTSIRPUZEQW-ZIAGYGMSSA-N 1 1 277.408 3.344 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@@H]1CCC[C@H](OC)C1 ZINC001172946187 808493014 /nfs/dbraw/zinc/49/30/14/808493014.db2.gz SMOODFKUHVVXPN-CABCVRRESA-N 1 1 263.381 3.172 20 10 CGCDMO CO[C@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001172951788 808494487 /nfs/dbraw/zinc/49/44/87/808494487.db2.gz TYJLSVYLZFHONN-SJORKVTESA-N 1 1 276.424 3.142 20 10 CGCDMO COc1ccc(N2CCC[C@]3(CCC[N@@H+](C)C3)C2)cc1 ZINC001276924310 809044868 /nfs/dbraw/zinc/04/48/68/809044868.db2.gz HTTBAHBEQASAAP-KRWDZBQOSA-N 1 1 274.408 3.007 20 10 CGCDMO C[C@@H](c1ccccc1)[N@H+](CCO)Cc1cccc(F)c1O ZINC001180002089 809966203 /nfs/dbraw/zinc/96/62/03/809966203.db2.gz KRBLQHWOIXJHLY-ZDUSSCGKSA-N 1 1 289.350 3.087 20 10 CGCDMO C[C@@H](c1ccccc1)[N@@H+](CCO)Cc1cccc(F)c1O ZINC001180002089 809966206 /nfs/dbraw/zinc/96/62/06/809966206.db2.gz KRBLQHWOIXJHLY-ZDUSSCGKSA-N 1 1 289.350 3.087 20 10 CGCDMO CC(C)[C@@H]1CC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001180326372 809993267 /nfs/dbraw/zinc/99/32/67/809993267.db2.gz KNCVIRRRAYITIL-RTRPANQVSA-N 1 1 258.409 3.496 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC001180332815 809994695 /nfs/dbraw/zinc/99/46/95/809994695.db2.gz UPZDKKZEXCVMGM-DOMZBBRYSA-N 1 1 297.826 3.337 20 10 CGCDMO CCC[N@H+](CCCN(C)C)Cc1cccc(CC)c1O ZINC001181515320 810057644 /nfs/dbraw/zinc/05/76/44/810057644.db2.gz SBLHBFRBMATBAT-UHFFFAOYSA-N 1 1 278.440 3.118 20 10 CGCDMO CCC[N@@H+](CCCN(C)C)Cc1cccc(CC)c1O ZINC001181515320 810057647 /nfs/dbraw/zinc/05/76/47/810057647.db2.gz SBLHBFRBMATBAT-UHFFFAOYSA-N 1 1 278.440 3.118 20 10 CGCDMO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001181544685 810058773 /nfs/dbraw/zinc/05/87/73/810058773.db2.gz VWEDHCMPEZICOE-GXSJLCMTSA-N 1 1 255.308 3.433 20 10 CGCDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cc(F)c(F)cc1O ZINC001181544685 810058776 /nfs/dbraw/zinc/05/87/76/810058776.db2.gz VWEDHCMPEZICOE-GXSJLCMTSA-N 1 1 255.308 3.433 20 10 CGCDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001182142235 810095304 /nfs/dbraw/zinc/09/53/04/810095304.db2.gz YDSXYFXTSAOPKQ-HNNXBMFYSA-N 1 1 283.799 3.030 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+]Cc1noc2ccccc12 ZINC001183769192 810160615 /nfs/dbraw/zinc/16/06/15/810160615.db2.gz OBAORCZYQIPJNC-UHFFFAOYSA-N 1 1 290.269 3.101 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]Cc1cc2ccncc2s1 ZINC001183920002 810169449 /nfs/dbraw/zinc/16/94/49/810169449.db2.gz SFRMTNZUMNTAKD-UHFFFAOYSA-N 1 1 288.347 3.431 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC001183920238 810169682 /nfs/dbraw/zinc/16/96/82/810169682.db2.gz VWYYETJJLHRDCR-UONOGXRCSA-N 1 1 271.335 3.425 20 10 CGCDMO CN(C)c1cc(F)c(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1F ZINC001184276969 810187537 /nfs/dbraw/zinc/18/75/37/810187537.db2.gz JKTPWDJCTQDLCR-TXEJJXNPSA-N 1 1 280.362 3.263 20 10 CGCDMO Oc1cc2c(cc1O)C[N@@H+](C[C@H]1CC=CCC1)CCC2 ZINC001201421682 811838935 /nfs/dbraw/zinc/83/89/35/811838935.db2.gz DDGCVDLDPQARAO-ZDUSSCGKSA-N 1 1 273.376 3.202 20 10 CGCDMO CCC[N@@H+](Cc1cccc(OC)c1O)[C@@H](C)CC ZINC001203586099 812401462 /nfs/dbraw/zinc/40/14/62/812401462.db2.gz YJIDCQFEEKNGRI-LBPRGKRZSA-N 1 1 251.370 3.411 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c1O ZINC001203595948 812404007 /nfs/dbraw/zinc/40/40/07/812404007.db2.gz TZHZUGSCSPULKU-CQSZACIVSA-N 1 1 298.386 3.175 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1c1cnccn1 ZINC001203657302 812419110 /nfs/dbraw/zinc/41/91/10/812419110.db2.gz JDKQLMLMQDENEN-CQSZACIVSA-N 1 1 289.766 3.173 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1c1cnccn1 ZINC001203657302 812419117 /nfs/dbraw/zinc/41/91/17/812419117.db2.gz JDKQLMLMQDENEN-CQSZACIVSA-N 1 1 289.766 3.173 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@@H+](CC1CC1)C1CC1 ZINC001203664577 812422297 /nfs/dbraw/zinc/42/22/97/812422297.db2.gz LLMRGKUVBUTWTM-UHFFFAOYSA-N 1 1 251.757 3.420 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](C)[C@@H](C)C2)c1 ZINC001203669883 812425291 /nfs/dbraw/zinc/42/52/91/812425291.db2.gz GRNPGUFBWCTYSM-STQMWFEESA-N 1 1 263.381 3.269 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](C)[C@H](C)C2)c1 ZINC001203669882 812425716 /nfs/dbraw/zinc/42/57/16/812425716.db2.gz GRNPGUFBWCTYSM-QWHCGFSZSA-N 1 1 263.381 3.269 20 10 CGCDMO Oc1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1O ZINC001203882639 812479452 /nfs/dbraw/zinc/47/94/52/812479452.db2.gz OTNXNUSZQQPFPK-KBPBESRZSA-N 1 1 261.365 3.252 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2CCCC(F)(F)[C@@H](F)C2)cc1 ZINC001203931751 812495141 /nfs/dbraw/zinc/49/51/41/812495141.db2.gz VKTDXUZBVJZJDO-AWEZNQCLSA-N 1 1 286.341 3.322 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC(F)(F)[C@@H](F)C2)cc1 ZINC001203931751 812495142 /nfs/dbraw/zinc/49/51/42/812495142.db2.gz VKTDXUZBVJZJDO-AWEZNQCLSA-N 1 1 286.341 3.322 20 10 CGCDMO CC(C)[N@@H+](CCCCCO)Cc1ccc(N(C)C)cc1 ZINC001203935794 812495642 /nfs/dbraw/zinc/49/56/42/812495642.db2.gz DMUFPYQTJSQXDS-UHFFFAOYSA-N 1 1 278.440 3.126 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)cc1 ZINC001203937304 812497547 /nfs/dbraw/zinc/49/75/47/812497547.db2.gz UMASMLSZPJXELY-GOSISDBHSA-N 1 1 296.414 3.188 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2CF)cc1 ZINC001203945374 812498722 /nfs/dbraw/zinc/49/87/22/812498722.db2.gz LJIYEIIZKIGCCZ-MRXNPFEDSA-N 1 1 264.388 3.467 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCOC[C@@H]2C(C)C)cc1 ZINC001203942907 812499149 /nfs/dbraw/zinc/49/91/49/812499149.db2.gz YDWXFDQONMANIO-GOSISDBHSA-N 1 1 290.451 3.390 20 10 CGCDMO CC(C)[N@H+](Cc1cc(F)c(F)cc1O)C1CCC1 ZINC001204238294 812582434 /nfs/dbraw/zinc/58/24/34/812582434.db2.gz QJMAQPWMQPESJA-UHFFFAOYSA-N 1 1 255.308 3.433 20 10 CGCDMO CC(C)[N@@H+](Cc1cc(F)c(F)cc1O)C1CCC1 ZINC001204238294 812582437 /nfs/dbraw/zinc/58/24/37/812582437.db2.gz QJMAQPWMQPESJA-UHFFFAOYSA-N 1 1 255.308 3.433 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(C)C2)c2ccccc21 ZINC001204241178 812583898 /nfs/dbraw/zinc/58/38/98/812583898.db2.gz ZCZLOWMJHKUOET-MRXNPFEDSA-N 1 1 297.446 3.042 20 10 CGCDMO CN(C)c1ccc(CN(C)[C@@H]2CC[N@H+](C)C2)c2ccccc21 ZINC001204241178 812583902 /nfs/dbraw/zinc/58/39/02/812583902.db2.gz ZCZLOWMJHKUOET-MRXNPFEDSA-N 1 1 297.446 3.042 20 10 CGCDMO CN(C)c1ccc(CN(C)[C@@H]2CC[N@@H+](C)C2)c2ccccc21 ZINC001204241178 812583907 /nfs/dbraw/zinc/58/39/07/812583907.db2.gz ZCZLOWMJHKUOET-MRXNPFEDSA-N 1 1 297.446 3.042 20 10 CGCDMO c1cc(N2CCCC2)ccc1C[NH+]1CC2(C1)CCCCO2 ZINC001204324422 812612381 /nfs/dbraw/zinc/61/23/81/812612381.db2.gz LDVNSIPCBDZVMT-UHFFFAOYSA-N 1 1 286.419 3.042 20 10 CGCDMO CC[N@@H+](Cc1ccc(N2CCCC2)cc1)C1CCOCC1 ZINC001204327258 812614802 /nfs/dbraw/zinc/61/48/02/812614802.db2.gz NMEVIWZQSUBMCX-UHFFFAOYSA-N 1 1 288.435 3.288 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC001204594037 812683660 /nfs/dbraw/zinc/68/36/60/812683660.db2.gz WIAOQDQIRDTBBJ-JKSUJKDBSA-N 1 1 289.419 3.374 20 10 CGCDMO CC1(C)C[C@@H]([NH2+]Cc2cc(F)c(F)cc2O)C(C)(C)O1 ZINC001205008654 812823612 /nfs/dbraw/zinc/82/36/12/812823612.db2.gz WLPSFBZRCYAUNZ-CYBMUJFWSA-N 1 1 285.334 3.106 20 10 CGCDMO C[C@H]1CC[NH2+]CCN1Cc1ccc(N(C)C)c2ccccc12 ZINC001205325195 812955724 /nfs/dbraw/zinc/95/57/24/812955724.db2.gz LOCPBSYQTICPCS-HNNXBMFYSA-N 1 1 297.446 3.090 20 10 CGCDMO C[C@H]1CC[N@H+](Cc2cc3ccccc3cc2[O-])CC[C@@H]1C[NH3+] ZINC001205651523 813042722 /nfs/dbraw/zinc/04/27/22/813042722.db2.gz GDIWXDIYNVPYBG-WMLDXEAASA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cc3ccccc3cc2[O-])CC[C@@H]1C[NH3+] ZINC001205651523 813042726 /nfs/dbraw/zinc/04/27/26/813042726.db2.gz GDIWXDIYNVPYBG-WMLDXEAASA-N 1 1 298.430 3.352 20 10 CGCDMO Cc1cc(O)c(C[N@H+](CC2CCC2)[C@@H](C)CO)cc1Cl ZINC001205765492 813071336 /nfs/dbraw/zinc/07/13/36/813071336.db2.gz AZCJOGJIXMCNCO-LBPRGKRZSA-N 1 1 297.826 3.337 20 10 CGCDMO Cc1c(C[N@@H+]2C[C@H](C)CC[C@H]2CN)c2ccccc2n1C ZINC001205814274 813090895 /nfs/dbraw/zinc/09/08/95/813090895.db2.gz BYCMBKQLHVRODL-HIFRSBDPSA-N 1 1 285.435 3.046 20 10 CGCDMO Cc1c(C[N@H+]2C[C@H](C)CC[C@H]2CN)c2ccccc2n1C ZINC001205814274 813090898 /nfs/dbraw/zinc/09/08/98/813090898.db2.gz BYCMBKQLHVRODL-HIFRSBDPSA-N 1 1 285.435 3.046 20 10 CGCDMO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c([O-])c1 ZINC001206026506 813170661 /nfs/dbraw/zinc/17/06/61/813170661.db2.gz SNWRGLXTHINKHE-HOCLYGCPSA-N 1 1 290.451 3.322 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c([O-])c1 ZINC001206026506 813170665 /nfs/dbraw/zinc/17/06/65/813170665.db2.gz SNWRGLXTHINKHE-HOCLYGCPSA-N 1 1 290.451 3.322 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccncc1OC ZINC001206493508 813335059 /nfs/dbraw/zinc/33/50/59/813335059.db2.gz DRFVUWYSIMXLLD-UHFFFAOYSA-N 1 1 299.418 3.178 20 10 CGCDMO Cc1ccnc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC001206854192 813453282 /nfs/dbraw/zinc/45/32/82/813453282.db2.gz VHXWVLXESKMGFC-UHFFFAOYSA-N 1 1 269.392 3.088 20 10 CGCDMO Cc1cccc(C[N@@H+]2Cc3cccc(O)c3C2)c1F ZINC001207242770 813521216 /nfs/dbraw/zinc/52/12/16/813521216.db2.gz GMSBLHFQATUJDX-UHFFFAOYSA-N 1 1 257.308 3.356 20 10 CGCDMO Cc1cccc(C[N@H+]2Cc3cccc(O)c3C2)c1F ZINC001207242770 813521220 /nfs/dbraw/zinc/52/12/20/813521220.db2.gz GMSBLHFQATUJDX-UHFFFAOYSA-N 1 1 257.308 3.356 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)cc1 ZINC001209516712 814071092 /nfs/dbraw/zinc/07/10/92/814071092.db2.gz MMBUJFPSZJHNIA-AEFFLSMTSA-N 1 1 298.430 3.297 20 10 CGCDMO C[C@H]1CC(=O)CC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC001231587563 818129980 /nfs/dbraw/zinc/12/99/80/818129980.db2.gz FMYJBEREEWJIMJ-LBPRGKRZSA-N 1 1 269.344 3.099 20 10 CGCDMO O=C1CC[N@@H+](Cc2c(O)ccc3ccccc32)CC[C@@H]1F ZINC001231587928 818130289 /nfs/dbraw/zinc/13/02/89/818130289.db2.gz JNTVPSRNGPXSEW-HNNXBMFYSA-N 1 1 287.334 3.048 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)c1O ZINC001231590981 818132013 /nfs/dbraw/zinc/13/20/13/818132013.db2.gz MXYPOMCJUHGLKF-LSDHHAIUSA-N 1 1 273.376 3.034 20 10 CGCDMO COc1cc(C[N@H+]2CCc3ccccc3[C@H]2C)c(O)cc1O ZINC001231634123 818143972 /nfs/dbraw/zinc/14/39/72/818143972.db2.gz INMSINCTPZRCCF-GFCCVEGCSA-N 1 1 299.370 3.226 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCC[C@@H]2CN2CCCC2)c(O)c1 ZINC001231846137 818186954 /nfs/dbraw/zinc/18/69/54/818186954.db2.gz GQFNDVTULWSVNR-MRXNPFEDSA-N 1 1 288.435 3.069 20 10 CGCDMO Cc1cc(C)c(CN2CCC[C@@H]2C[NH+]2CCCC2)c(O)c1 ZINC001231846137 818186959 /nfs/dbraw/zinc/18/69/59/818186959.db2.gz GQFNDVTULWSVNR-MRXNPFEDSA-N 1 1 288.435 3.069 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@@H](F)C1 ZINC001231848639 818187071 /nfs/dbraw/zinc/18/70/71/818187071.db2.gz JDFVGRUKRSTLAH-CQSZACIVSA-N 1 1 280.387 3.085 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001231849006 818187685 /nfs/dbraw/zinc/18/76/85/818187685.db2.gz MNCHZRJARCFVIM-GASCZTMLSA-N 1 1 288.435 3.383 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](C)CC1 ZINC001231851377 818188611 /nfs/dbraw/zinc/18/86/11/818188611.db2.gz GONHKGFGASBXFY-AWEZNQCLSA-N 1 1 276.424 3.383 20 10 CGCDMO Cc1cc(C)c(C[N@@H+]2CC[C@H](OC(C)C)C2)c(O)c1 ZINC001231849121 818189143 /nfs/dbraw/zinc/18/91/43/818189143.db2.gz NFUKOTXEFNEARY-AWEZNQCLSA-N 1 1 263.381 3.008 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC(=O)[C@@H](C)CC2)cc1Cl ZINC001231868037 818192233 /nfs/dbraw/zinc/19/22/33/818192233.db2.gz PLGTUFWXZHNRPR-JTQLQIEISA-N 1 1 281.783 3.155 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC(=O)[C@@H](C)CC2)cc1Cl ZINC001231868037 818192234 /nfs/dbraw/zinc/19/22/34/818192234.db2.gz PLGTUFWXZHNRPR-JTQLQIEISA-N 1 1 281.783 3.155 20 10 CGCDMO Oc1c(C[N@@H+]2Cc3cccnc3C2)ccc2ccccc21 ZINC001231878564 818197569 /nfs/dbraw/zinc/19/75/69/818197569.db2.gz PEJMMYZJSXALOX-UHFFFAOYSA-N 1 1 276.339 3.456 20 10 CGCDMO Oc1c(C[N@H+]2Cc3cccnc3C2)ccc2ccccc21 ZINC001231878564 818197575 /nfs/dbraw/zinc/19/75/75/818197575.db2.gz PEJMMYZJSXALOX-UHFFFAOYSA-N 1 1 276.339 3.456 20 10 CGCDMO C[C@]1(F)CCCC[N@@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232258534 818295063 /nfs/dbraw/zinc/29/50/63/818295063.db2.gz AKSKFHNGNRZBLB-AWEZNQCLSA-N 1 1 287.762 3.465 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CCC[C@H](F)CC2)cc1Cl ZINC001232258616 818295472 /nfs/dbraw/zinc/29/54/72/818295472.db2.gz AZSHCHFVAVEBJZ-JTQLQIEISA-N 1 1 273.735 3.075 20 10 CGCDMO COc1cc(O)c(C[N@@H+]2CC[C@H](OC)C[C@H]2C)cc1Cl ZINC001232271134 818299976 /nfs/dbraw/zinc/29/99/76/818299976.db2.gz NZAWNJZBPIWYBO-PWSUYJOCSA-N 1 1 299.798 3.054 20 10 CGCDMO COC(=O)c1c(C[N@@H+](C)C(C)(C)C)c2ccccc2n1C ZINC001232407045 818339789 /nfs/dbraw/zinc/33/97/89/818339789.db2.gz KKCYEVQQAQNMCJ-UHFFFAOYSA-N 1 1 288.391 3.195 20 10 CGCDMO CC[N@@H+](Cc1cccc(CF)n1)Cc1ccccc1O ZINC001232537186 818380376 /nfs/dbraw/zinc/38/03/76/818380376.db2.gz DNISYEBQOYXBCO-UHFFFAOYSA-N 1 1 274.339 3.279 20 10 CGCDMO CNc1ccccc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001232672517 818414989 /nfs/dbraw/zinc/41/49/89/818414989.db2.gz DXFNVEUOQSTDFU-UHFFFAOYSA-N 1 1 283.419 3.426 20 10 CGCDMO CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1O ZINC001232840688 818453056 /nfs/dbraw/zinc/45/30/56/818453056.db2.gz HBOILSQBCBBGOG-HNNXBMFYSA-N 1 1 262.397 3.079 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2O)[C@@H]1C ZINC001232839446 818453386 /nfs/dbraw/zinc/45/33/86/818453386.db2.gz OEWOYENZWYEHSA-CHWSQXEVSA-N 1 1 262.397 3.079 20 10 CGCDMO Oc1cc(C[N@@H+](Cc2ccccc2)C2CCC2)cc(O)c1O ZINC001233014962 818502640 /nfs/dbraw/zinc/50/26/40/818502640.db2.gz CKSYWJYDOXALLO-UHFFFAOYSA-N 1 1 299.370 3.358 20 10 CGCDMO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1c(O)ccc(F)c1F ZINC001233335404 818584441 /nfs/dbraw/zinc/58/44/41/818584441.db2.gz SZZBPJABPDKREU-VHSXEESVSA-N 1 1 255.308 3.291 20 10 CGCDMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1c(O)ccc(F)c1F ZINC001233335404 818584445 /nfs/dbraw/zinc/58/44/45/818584445.db2.gz SZZBPJABPDKREU-VHSXEESVSA-N 1 1 255.308 3.291 20 10 CGCDMO Oc1ccc(F)c(F)c1C[NH+]1CCC2(CCC2)CC1 ZINC001233332395 818586943 /nfs/dbraw/zinc/58/69/43/818586943.db2.gz JSSQLASERKBLPO-UHFFFAOYSA-N 1 1 267.319 3.437 20 10 CGCDMO CC[N@@H+](Cc1ccc(C(F)(F)F)cc1O)CC(C)(C)O ZINC001233455139 818623901 /nfs/dbraw/zinc/62/39/01/818623901.db2.gz XUGJDMKWYBDHJL-UHFFFAOYSA-N 1 1 291.313 3.004 20 10 CGCDMO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233486591 818625732 /nfs/dbraw/zinc/62/57/32/818625732.db2.gz TVOAJKRMPAVLMQ-HNNXBMFYSA-N 1 1 299.370 3.313 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233727701 818691680 /nfs/dbraw/zinc/69/16/80/818691680.db2.gz OISPRVINVFQEFJ-VIFPVBQESA-N 1 1 275.270 3.133 20 10 CGCDMO C[C@H]1C[C@@H](CO)[N@@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234993292 818970599 /nfs/dbraw/zinc/97/05/99/818970599.db2.gz YHCZUITYIZYXGC-YOEHRIQHSA-N 1 1 297.398 3.262 20 10 CGCDMO Oc1c(C[N@@H+]2CCC[C@H](O)CC2)cccc1-c1ccccc1 ZINC001234991370 818970658 /nfs/dbraw/zinc/97/06/58/818970658.db2.gz MBRKYBGVPWENDV-KRWDZBQOSA-N 1 1 297.398 3.406 20 10 CGCDMO OC[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001235003223 818976179 /nfs/dbraw/zinc/97/61/79/818976179.db2.gz UPCVKYUHPOVOPN-INIZCTEOSA-N 1 1 283.371 3.016 20 10 CGCDMO CC(C)[N@@H+](CCCO)Cc1ccc(C(C)(C)C)cc1O ZINC001235685264 819141832 /nfs/dbraw/zinc/14/18/32/819141832.db2.gz OBGCLRNHQYKHAQ-UHFFFAOYSA-N 1 1 279.424 3.283 20 10 CGCDMO Nc1ccc(C[N@H+]2CC[C@H](c3ccccc3F)C2)cc1 ZINC001235726023 819155353 /nfs/dbraw/zinc/15/53/53/819155353.db2.gz LVGXEKCSXFAVTQ-AWEZNQCLSA-N 1 1 270.351 3.397 20 10 CGCDMO CC(C)(C)c1cc(O)c(CN2CC[C@H](C[NH3+])C2)cc1Cl ZINC001235748633 819160404 /nfs/dbraw/zinc/16/04/04/819160404.db2.gz CTLNZXJMYFGJDF-LLVKDONJSA-N 1 1 296.842 3.124 20 10 CGCDMO CN(Cc1cccc(C(C)(C)C)c1O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219644 819385394 /nfs/dbraw/zinc/38/53/94/819385394.db2.gz XCVBUINXDAVXFY-HOTGVXAUSA-N 1 1 290.451 3.391 20 10 CGCDMO Cc1cc(CN2CCC[NH2+]CCC2)c(C)n1-c1ccccc1 ZINC001236239612 819400080 /nfs/dbraw/zinc/40/00/80/819400080.db2.gz IUAZGCLPMSTRDB-UHFFFAOYSA-N 1 1 297.446 3.280 20 10 CGCDMO Nc1ccc(C[N@H+]2CCOC[C@@H]2C2CCCCC2)cc1 ZINC001236433280 819476560 /nfs/dbraw/zinc/47/65/60/819476560.db2.gz GMBWNPUITAUMHX-QGZVFWFLSA-N 1 1 274.408 3.050 20 10 CGCDMO COc1cc(O)c(C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1OC ZINC001236750403 819590236 /nfs/dbraw/zinc/59/02/36/819590236.db2.gz MACAGKCYABCDPS-TXEJJXNPSA-N 1 1 279.380 3.172 20 10 CGCDMO CCc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OC)c(O)c1 ZINC001236788678 819595132 /nfs/dbraw/zinc/59/51/32/819595132.db2.gz MYICDJAMJWFHCW-UWWQBHOKSA-N 1 1 289.419 3.202 20 10 CGCDMO C[C@@]1(O)CCC[N@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236795544 819597342 /nfs/dbraw/zinc/59/73/42/819597342.db2.gz GFSSQSYTSODUCL-CYBMUJFWSA-N 1 1 290.190 3.046 20 10 CGCDMO C[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236795544 819597345 /nfs/dbraw/zinc/59/73/45/819597345.db2.gz GFSSQSYTSODUCL-CYBMUJFWSA-N 1 1 290.190 3.046 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCCC[C@H]2C)c(Cl)c1 ZINC001236803035 819602677 /nfs/dbraw/zinc/60/26/77/819602677.db2.gz LURUCBAWXKBMIU-SNVBAGLBSA-N 1 1 269.772 3.429 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCCCC23CC3)c(O)c1 ZINC001236811680 819604857 /nfs/dbraw/zinc/60/48/57/819604857.db2.gz VZQCFFGYFPEUPB-UHFFFAOYSA-N 1 1 261.365 3.228 20 10 CGCDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc2ccccc2cc1O ZINC001236832677 819611568 /nfs/dbraw/zinc/61/15/68/819611568.db2.gz KCOFLZVJEDDGHL-INIZCTEOSA-N 1 1 299.370 3.073 20 10 CGCDMO CCC[N@H+](Cc1cc(Cl)cc(C)c1O)C[C@@H]1CC[NH2+]C1 ZINC001236842684 819618265 /nfs/dbraw/zinc/61/82/65/819618265.db2.gz HJFGNGDGQXEBGW-CYBMUJFWSA-N 1 1 296.842 3.176 20 10 CGCDMO COC[C@H]1CCC[N@H+]1Cc1ccc(C(C)C)cc1O ZINC001237046142 819650072 /nfs/dbraw/zinc/65/00/72/819650072.db2.gz QJIFMLDUZYKVNG-OAHLLOKOSA-N 1 1 263.381 3.126 20 10 CGCDMO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C(C)C)cc1O ZINC001237047979 819651306 /nfs/dbraw/zinc/65/13/06/819651306.db2.gz BFWYMPOBLNRXKB-HNNXBMFYSA-N 1 1 291.391 3.043 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC(=O)C(C)(C)C2)c(O)c1 ZINC001237049084 819652081 /nfs/dbraw/zinc/65/20/81/819652081.db2.gz KVMNNFWRPOLSFM-UHFFFAOYSA-N 1 1 275.392 3.317 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CC[C@H](N(C)C3CC3)C2)c(O)c1 ZINC001237055022 819655334 /nfs/dbraw/zinc/65/53/34/819655334.db2.gz LYIVTIQVZYRQAF-KRWDZBQOSA-N 1 1 288.435 3.184 20 10 CGCDMO CC(C)c1ccc(CN2CC[C@H]([N@H+](C)C3CC3)C2)c(O)c1 ZINC001237055022 819655342 /nfs/dbraw/zinc/65/53/42/819655342.db2.gz LYIVTIQVZYRQAF-KRWDZBQOSA-N 1 1 288.435 3.184 20 10 CGCDMO CC(C)c1ccc(CN2CC[C@H]([N@@H+](C)C3CC3)C2)c(O)c1 ZINC001237055022 819655348 /nfs/dbraw/zinc/65/53/48/819655348.db2.gz LYIVTIQVZYRQAF-KRWDZBQOSA-N 1 1 288.435 3.184 20 10 CGCDMO Oc1ccc(Cl)c(Cl)c1C[N@H+]1CCCC[C@H](O)C1 ZINC001237077381 819660810 /nfs/dbraw/zinc/66/08/10/819660810.db2.gz GRTMLHWCMDRTEE-VIFPVBQESA-N 1 1 290.190 3.046 20 10 CGCDMO Oc1ccc(Cl)c(Cl)c1C[N@@H+]1CCCC[C@H](O)C1 ZINC001237077381 819660814 /nfs/dbraw/zinc/66/08/14/819660814.db2.gz GRTMLHWCMDRTEE-VIFPVBQESA-N 1 1 290.190 3.046 20 10 CGCDMO CCO[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237084515 819663428 /nfs/dbraw/zinc/66/34/28/819663428.db2.gz KEBBIDKGLZFWBH-SECBINFHSA-N 1 1 290.190 3.310 20 10 CGCDMO CCO[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237084515 819663430 /nfs/dbraw/zinc/66/34/30/819663430.db2.gz KEBBIDKGLZFWBH-SECBINFHSA-N 1 1 290.190 3.310 20 10 CGCDMO Oc1cccc(OC(F)(F)F)c1C[N@H+]1CCCC12CC2 ZINC001237121042 819671340 /nfs/dbraw/zinc/67/13/40/819671340.db2.gz UDZSUGALKIZSDW-UHFFFAOYSA-N 1 1 287.281 3.419 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2O)CCCO1 ZINC001237135031 819675093 /nfs/dbraw/zinc/67/50/93/819675093.db2.gz FONTZVCNFBVTHW-JTQLQIEISA-N 1 1 289.297 3.022 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001237484904 819762266 /nfs/dbraw/zinc/76/22/66/819762266.db2.gz JUZGWZAMIKNMKS-TXEJJXNPSA-N 1 1 267.319 3.178 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCc2cc(F)ccc2C1 ZINC001237491205 819764088 /nfs/dbraw/zinc/76/40/88/819764088.db2.gz IVMFSYLBOOCVQN-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001237489829 819764821 /nfs/dbraw/zinc/76/48/21/819764821.db2.gz LGPUOKRRAHVHSC-HNNXBMFYSA-N 1 1 282.387 3.475 20 10 CGCDMO Oc1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC001237648800 819796762 /nfs/dbraw/zinc/79/67/62/819796762.db2.gz HAOSWHHCPKREEY-FUHWJXTLSA-N 1 1 299.345 3.171 20 10 CGCDMO Oc1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC001237648800 819796765 /nfs/dbraw/zinc/79/67/65/819796765.db2.gz HAOSWHHCPKREEY-FUHWJXTLSA-N 1 1 299.345 3.171 20 10 CGCDMO COc1cc(C[N@H+]2CCCC[C@@H](C)C2)c(O)c(OC)c1 ZINC001237675106 819803627 /nfs/dbraw/zinc/80/36/27/819803627.db2.gz UCLMCAGXEIBDCT-GFCCVEGCSA-N 1 1 279.380 3.031 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@@](C)(O)CC2)c1O ZINC001237681364 819805709 /nfs/dbraw/zinc/80/57/09/819805709.db2.gz NIFBZTXSYUDYKZ-LRDDRELGSA-N 1 1 297.826 3.337 20 10 CGCDMO C[C@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237940141 819889126 /nfs/dbraw/zinc/88/91/26/819889126.db2.gz BZWIRLTWLHECSR-VIFPVBQESA-N 1 1 257.736 3.417 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237940141 819889137 /nfs/dbraw/zinc/88/91/37/819889137.db2.gz BZWIRLTWLHECSR-VIFPVBQESA-N 1 1 257.736 3.417 20 10 CGCDMO C[N@H+](CCc1ccncc1)Cc1cc(F)c(Cl)cc1O ZINC001237935301 819889626 /nfs/dbraw/zinc/88/96/26/819889626.db2.gz CEWBIUKVBGOGMQ-UHFFFAOYSA-N 1 1 294.757 3.254 20 10 CGCDMO C[N@@H+](CCc1ccncc1)Cc1cc(F)c(Cl)cc1O ZINC001237935301 819889638 /nfs/dbraw/zinc/88/96/38/819889638.db2.gz CEWBIUKVBGOGMQ-UHFFFAOYSA-N 1 1 294.757 3.254 20 10 CGCDMO CCCO[C@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237937114 819889736 /nfs/dbraw/zinc/88/97/36/819889736.db2.gz NUBHRAOVOHMLTB-NSHDSACASA-N 1 1 287.762 3.186 20 10 CGCDMO CCCO[C@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237937114 819889743 /nfs/dbraw/zinc/88/97/43/819889743.db2.gz NUBHRAOVOHMLTB-NSHDSACASA-N 1 1 287.762 3.186 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC001237946878 819892977 /nfs/dbraw/zinc/89/29/77/819892977.db2.gz NKUKKLWTPAMISA-UWVGGRQHSA-N 1 1 269.747 3.417 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)[C@H](C)CO1 ZINC001349536128 936951650 /nfs/dbraw/zinc/95/16/50/936951650.db2.gz UQGLPTGBXBRNTG-CRAIPNDOSA-N 1 1 288.435 3.286 20 10 CGCDMO COC[C@@]1(C)CC[N@@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001560846060 937238300 /nfs/dbraw/zinc/23/83/00/937238300.db2.gz XZXXSFIAZUCMID-KRWDZBQOSA-N 1 1 277.408 3.374 20 10 CGCDMO CC[C@@H]([NH2+]Cc1c(O)cccc1F)[C@@H]1CC1(C)C ZINC001462595616 928794244 /nfs/dbraw/zinc/79/42/44/928794244.db2.gz VTUQEDHSTIOFBG-WCQYABFASA-N 1 1 251.345 3.446 20 10 CGCDMO COc1ccc(C[N@@H+](Cc2ccc(N)cc2)C2CC2)cc1 ZINC000035366079 931951471 /nfs/dbraw/zinc/95/14/71/931951471.db2.gz KTNOPWFBUGJYAH-UHFFFAOYSA-N 1 1 282.387 3.442 20 10 CGCDMO CCO[C@H]1CCC[N@@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140179127 931956806 /nfs/dbraw/zinc/95/68/06/931956806.db2.gz HGEHSJMNGORDLC-AWEZNQCLSA-N 1 1 263.381 3.010 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCc3cc(CO)ccc3C2)c1O ZINC001140178766 931956928 /nfs/dbraw/zinc/95/69/28/931956928.db2.gz WXNLKXZPFDZGHF-UHFFFAOYSA-N 1 1 297.398 3.060 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C/C=C\Cl ZINC001461807734 937598212 /nfs/dbraw/zinc/59/82/12/937598212.db2.gz YZUSJEGHPPEALR-RJRFIUFISA-N 1 1 250.100 3.027 20 10 CGCDMO CC[C@H](C)[C@H](C[N@@H+](C)Cc1ccc(N(C)C)cc1)OC ZINC001461838650 937600870 /nfs/dbraw/zinc/60/08/70/937600870.db2.gz OPVAOJXUQMMKLY-YOEHRIQHSA-N 1 1 278.440 3.246 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCNC3=CCCC[C@H]32)cc1 ZINC001237219705 932692805 /nfs/dbraw/zinc/69/28/05/932692805.db2.gz NWDQFFXIASWXEU-LJQANCHMSA-N 1 1 299.462 3.374 20 10 CGCDMO CCN(CC)c1ccc(CN2CC[NH2+]C3=CCCC[C@H]32)cc1 ZINC001237219705 932692809 /nfs/dbraw/zinc/69/28/09/932692809.db2.gz NWDQFFXIASWXEU-LJQANCHMSA-N 1 1 299.462 3.374 20 10 CGCDMO CC[N@@H+](Cc1cc(F)c(F)cc1[O-])[C@@H]1CCOC(C)(C)C1 ZINC001462294801 937630475 /nfs/dbraw/zinc/63/04/75/937630475.db2.gz KHMDDEZPWLMVGA-GFCCVEGCSA-N 1 1 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PZRSJQJZPDOXDM-HUBLWGQQSA-N 1 1 281.371 3.245 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)ccc1N(C)C ZINC000294108723 372582812 /nfs/dbraw/zinc/58/28/12/372582812.db2.gz MUKNRVHAPCEBSH-KRWDZBQOSA-N 1 1 284.407 3.121 20 10 CGCDMO C[N@@H+](Cc1cc(Cl)c(F)cc1O)C[C@H]1CCCOC1 ZINC000295399585 372765624 /nfs/dbraw/zinc/76/56/24/372765624.db2.gz QNYJVVPZFXIVAZ-SNVBAGLBSA-N 1 1 287.762 3.043 20 10 CGCDMO C[N@H+](Cc1cc(Cl)c(F)cc1O)C[C@H]1CCCOC1 ZINC000295399585 372765635 /nfs/dbraw/zinc/76/56/35/372765635.db2.gz QNYJVVPZFXIVAZ-SNVBAGLBSA-N 1 1 287.762 3.043 20 10 CGCDMO CC(C)[N@H+](Cc1cnns1)Cc1ccc(N(C)C)cc1 ZINC000295626457 372853297 /nfs/dbraw/zinc/85/32/97/372853297.db2.gz WYHWZOSIIJGPHE-UHFFFAOYSA-N 1 1 290.436 3.015 20 10 CGCDMO CC(C)[N@@H+](Cc1cnns1)Cc1ccc(N(C)C)cc1 ZINC000295626457 372853302 /nfs/dbraw/zinc/85/33/02/372853302.db2.gz WYHWZOSIIJGPHE-UHFFFAOYSA-N 1 1 290.436 3.015 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1C=CCCC1 ZINC000172188584 372922555 /nfs/dbraw/zinc/92/25/55/372922555.db2.gz YONRQVOTSQBVGM-QGZVFWFLSA-N 1 1 286.419 3.064 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@H](O)CC(C)(C)C2)ccc1N(C)C ZINC000296179989 373045171 /nfs/dbraw/zinc/04/51/71/373045171.db2.gz UKFARLMZQUAWCT-INIZCTEOSA-N 1 1 290.451 3.044 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2ccccc2F)c1O ZINC000179607416 373893402 /nfs/dbraw/zinc/89/34/02/373893402.db2.gz FWSAMJKXBVKCHI-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO Cc1cccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1O ZINC000179694373 373905731 /nfs/dbraw/zinc/90/57/31/373905731.db2.gz UUASWGKNSUGXRT-UHFFFAOYSA-N 1 1 286.331 3.241 20 10 CGCDMO COc1cccc(C[N@@H+](C)C[C@@H](C)c2nccs2)c1O ZINC000183262562 374392778 /nfs/dbraw/zinc/39/27/78/374392778.db2.gz MZIKTHRYZIWOEF-LLVKDONJSA-N 1 1 292.404 3.093 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000271180068 378472357 /nfs/dbraw/zinc/47/23/57/378472357.db2.gz KYSBNZCDAUFUQK-UHFFFAOYSA-N 1 1 295.810 3.438 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](COC)C2)cc1F ZINC000271199750 378482117 /nfs/dbraw/zinc/48/21/17/378482117.db2.gz SSDBXWDATAKFFO-OAHLLOKOSA-N 1 1 294.414 3.140 20 10 CGCDMO Cc1cccc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c1O ZINC000271873367 378510605 /nfs/dbraw/zinc/51/06/05/378510605.db2.gz SQBZZBQVSBZCFT-GOSISDBHSA-N 1 1 297.398 3.182 20 10 CGCDMO Cc1cnccc1CC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000273463052 378748418 /nfs/dbraw/zinc/74/84/18/378748418.db2.gz IJPJDFWISQCOCA-GFCCVEGCSA-N 1 1 274.339 3.128 20 10 CGCDMO COc1cccc(C[N@H+]2CCCC3(CCC3)C2)c1O ZINC000373486662 379286919 /nfs/dbraw/zinc/28/69/19/379286919.db2.gz AANRSEDZTGRZIR-UHFFFAOYSA-N 1 1 261.365 3.167 20 10 CGCDMO Cc1cc(O)c(C[NH2+]C2CC(N3CCCCC3)C2)cc1C ZINC000373487471 379287723 /nfs/dbraw/zinc/28/77/23/379287723.db2.gz VZJXWPHSVBMDQC-UHFFFAOYSA-N 1 1 288.435 3.116 20 10 CGCDMO Cc1cc(O)c(CNC2CC([NH+]3CCCCC3)C2)cc1C ZINC000373487471 379287731 /nfs/dbraw/zinc/28/77/31/379287731.db2.gz VZJXWPHSVBMDQC-UHFFFAOYSA-N 1 1 288.435 3.116 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC3(CCOCC3)[C@@H]2C)c1 ZINC000375236864 379486961 /nfs/dbraw/zinc/48/69/61/379486961.db2.gz KBJVPOYWEWIJNL-AWEZNQCLSA-N 1 1 275.392 3.092 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000375320201 379489896 /nfs/dbraw/zinc/48/98/96/379489896.db2.gz MUHUCIPWNLEIET-UKRRQHHQSA-N 1 1 281.783 3.189 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(C)c(C)cc2O)[C@@H](C)C1 ZINC000282114736 379856967 /nfs/dbraw/zinc/85/69/67/379856967.db2.gz ALPVEAFZLCXIRJ-DZGCQCFKSA-N 1 1 263.381 3.008 20 10 CGCDMO CCCC[N@@H+](CCCOC)Cc1ccccc1O ZINC000282388230 379908424 /nfs/dbraw/zinc/90/84/24/379908424.db2.gz GPUNBLFHPSTLEN-UHFFFAOYSA-N 1 1 251.370 3.031 20 10 CGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@H](C)c1nnc(C)o1 ZINC000282472596 379926883 /nfs/dbraw/zinc/92/68/83/379926883.db2.gz NYZYJDQDKMQMRC-GFCCVEGCSA-N 1 1 289.379 3.447 20 10 CGCDMO Cc1cc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)no1 ZINC000284313646 380139476 /nfs/dbraw/zinc/13/94/76/380139476.db2.gz ZKGPYCLPDOTGPF-ZDUSSCGKSA-N 1 1 285.391 3.216 20 10 CGCDMO CC[C@@H]([NH2+]CCCOC(C)C)c1ccc(F)cc1O ZINC000285476436 380148471 /nfs/dbraw/zinc/14/84/71/380148471.db2.gz BEPBNGWZULIEFC-CQSZACIVSA-N 1 1 269.360 3.387 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+](C(C)C)C2CC2)c1O ZINC000184680482 262026193 /nfs/dbraw/zinc/02/61/93/262026193.db2.gz KXGQAOWHJIQWPP-UHFFFAOYSA-N 1 1 269.772 3.427 20 10 CGCDMO COC1(C[NH2+][C@H](C)c2ccc(F)cc2O)CCCC1 ZINC000297309306 533005934 /nfs/dbraw/zinc/00/59/34/533005934.db2.gz MTEWICUTJMMRGM-LLVKDONJSA-N 1 1 267.344 3.141 20 10 CGCDMO COc1cccc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c1O ZINC000093690199 392238671 /nfs/dbraw/zinc/23/86/71/392238671.db2.gz RGJKEMJLBZWVGY-DZGCQCFKSA-N 1 1 293.432 3.261 20 10 CGCDMO CCSCC[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1O ZINC000093871002 392240813 /nfs/dbraw/zinc/24/08/13/392240813.db2.gz IJJGUQGIYFIKIF-GFCCVEGCSA-N 1 1 283.437 3.364 20 10 CGCDMO CC[N@@H+](CCOC)Cc1c(O)ccc2ccccc21 ZINC000109745941 392372981 /nfs/dbraw/zinc/37/29/81/392372981.db2.gz TZDCKORXIRJQPZ-UHFFFAOYSA-N 1 1 259.349 3.014 20 10 CGCDMO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000178416656 392678681 /nfs/dbraw/zinc/67/86/81/392678681.db2.gz HPSXOKSDUVOMRW-CQSZACIVSA-N 1 1 269.392 3.341 20 10 CGCDMO CN(C)c1ccccc1C[N@@H+](C)Cc1ccccc1O ZINC000173358910 392625724 /nfs/dbraw/zinc/62/57/24/392625724.db2.gz PEVBMOVBHDJYEJ-UHFFFAOYSA-N 1 1 270.376 3.090 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H](c2ccsc2)O1 ZINC000179582201 392704211 /nfs/dbraw/zinc/70/42/11/392704211.db2.gz BMTAIFFPNQFUGS-MLGOLLRUSA-N 1 1 289.400 3.416 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2c2ccnn2C)c1 ZINC000281265802 393349596 /nfs/dbraw/zinc/34/95/96/393349596.db2.gz NMLWFBQBRYONOF-INIZCTEOSA-N 1 1 285.391 3.161 20 10 CGCDMO CC[C@H](C)[N@H+](CC)Cc1cc(F)cc(C(C)=O)c1O ZINC000037323243 173123209 /nfs/dbraw/zinc/12/32/09/173123209.db2.gz MSLLEPFGTAIJMS-JTQLQIEISA-N 1 1 267.344 3.354 20 10 CGCDMO CC[C@H](C)[N@@H+](CC)Cc1cc(F)cc(C(C)=O)c1O ZINC000037323243 173123212 /nfs/dbraw/zinc/12/32/12/173123212.db2.gz MSLLEPFGTAIJMS-JTQLQIEISA-N 1 1 267.344 3.354 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2cccc(F)c2)c1O ZINC000160466148 261215122 /nfs/dbraw/zinc/21/51/22/261215122.db2.gz IZUCRUTXBUWCMC-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO CCc1nc(CC[NH2+][C@@H](C)c2ccc(F)cc2O)cs1 ZINC000185310675 262050389 /nfs/dbraw/zinc/05/03/89/262050389.db2.gz NPAXFIJUUQNCQX-JTQLQIEISA-N 1 1 294.395 3.444 20 10 CGCDMO C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc(F)cc1O ZINC000185454041 262054941 /nfs/dbraw/zinc/05/49/41/262054941.db2.gz ZIDMHZPBRRSCTG-PXAZEXFGSA-N 1 1 289.350 3.090 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1F ZINC000284957761 263088636 /nfs/dbraw/zinc/08/86/36/263088636.db2.gz HUEILDGFIGWQGJ-SJORKVTESA-N 1 1 292.398 3.035 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000367689429 267109680 /nfs/dbraw/zinc/10/96/80/267109680.db2.gz VLLOSPLZSNRBAJ-GJZGRUSLSA-N 1 1 275.392 3.031 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC3(CCC3)C[C@@H]2C)cc1OC ZINC000376987775 268036085 /nfs/dbraw/zinc/03/60/85/268036085.db2.gz YOVCYRXSRKFULB-LBPRGKRZSA-N 1 1 291.391 3.174 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC3(CCC3)C[C@H]2C)cc1OC ZINC000376987774 268036675 /nfs/dbraw/zinc/03/66/75/268036675.db2.gz YOVCYRXSRKFULB-GFCCVEGCSA-N 1 1 291.391 3.174 20 10 CGCDMO CO[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000377273762 268063087 /nfs/dbraw/zinc/06/30/87/268063087.db2.gz RFGXAGKSCAGSGR-JTQLQIEISA-N 1 1 287.762 3.186 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000377273762 268063088 /nfs/dbraw/zinc/06/30/88/268063088.db2.gz RFGXAGKSCAGSGR-JTQLQIEISA-N 1 1 287.762 3.186 20 10 CGCDMO CC[C@H](C)[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)OC ZINC000294254215 287650046 /nfs/dbraw/zinc/65/00/46/287650046.db2.gz QEMDVKIAZKVHLT-ZIBATOQPSA-N 1 1 269.360 3.243 20 10 CGCDMO C[C@H](C[N@H+](C)Cc1cccc(F)c1O)c1nccs1 ZINC000273168730 279281442 /nfs/dbraw/zinc/28/14/42/279281442.db2.gz MAIYRGCQNTUDEH-SNVBAGLBSA-N 1 1 280.368 3.223 20 10 CGCDMO C[C@H](C[N@@H+](C)Cc1cccc(F)c1O)c1nccs1 ZINC000273168730 279281444 /nfs/dbraw/zinc/28/14/44/279281444.db2.gz MAIYRGCQNTUDEH-SNVBAGLBSA-N 1 1 280.368 3.223 20 10 CGCDMO C[C@H]([NH2+]CCc1ccc(Cl)nc1)c1ccc(F)cc1O ZINC000185750608 327844205 /nfs/dbraw/zinc/84/42/05/327844205.db2.gz GPFHCZYWZSKWAL-JTQLQIEISA-N 1 1 294.757 3.473 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1ccc(F)cc1O ZINC000286075572 328249000 /nfs/dbraw/zinc/24/90/00/328249000.db2.gz LGDUKUIYMSEAAE-SUHUHFCYSA-N 1 1 267.344 3.140 20 10 CGCDMO COC1CCN(c2ccc(C[N@@H+](C)C3CCC3)cc2)CC1 ZINC000295062959 328284667 /nfs/dbraw/zinc/28/46/67/328284667.db2.gz PMZTUTAVXPQCHZ-UHFFFAOYSA-N 1 1 288.435 3.286 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)[C@@H](C)c1nc(CC)no1 ZINC000076074340 521691202 /nfs/dbraw/zinc/69/12/02/521691202.db2.gz XRUHUHYOOQCRST-LBPRGKRZSA-N 1 1 289.379 3.311 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)c1nc(CC)no1 ZINC000076074340 521691203 /nfs/dbraw/zinc/69/12/03/521691203.db2.gz XRUHUHYOOQCRST-LBPRGKRZSA-N 1 1 289.379 3.311 20 10 CGCDMO CO[C@]1(C)CCC[N@@H+](Cc2cc(C)ccc2O)CC1 ZINC000280262049 521750994 /nfs/dbraw/zinc/75/09/94/521750994.db2.gz LXHNFNXMVLNGJJ-MRXNPFEDSA-N 1 1 263.381 3.092 20 10 CGCDMO C[C@]1([NH2+]Cc2c(O)ccc(Cl)c2F)CCO[C@H]1C1CC1 ZINC000365129955 525297367 /nfs/dbraw/zinc/29/73/67/525297367.db2.gz AMFXRXMNNKMEOS-GJZGRUSLSA-N 1 1 299.773 3.232 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1 ZINC000290998912 525338995 /nfs/dbraw/zinc/33/89/95/525338995.db2.gz AQEWWBFVUOJFOZ-HZPDHXFCSA-N 1 1 275.392 3.090 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCOC1)c1cc(Cl)c(Cl)cc1O ZINC000278336710 525503466 /nfs/dbraw/zinc/50/34/66/525503466.db2.gz XADDQEQNGAXICI-RKDXNWHRSA-N 1 1 290.190 3.386 20 10 CGCDMO CSC[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000292527602 525708110 /nfs/dbraw/zinc/70/81/10/525708110.db2.gz WTMXEFHCGUBTKR-HNNXBMFYSA-N 1 1 278.465 3.328 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@H]2c2ccncc2)c1O ZINC000289979755 525941245 /nfs/dbraw/zinc/94/12/45/525941245.db2.gz ZQSOOWJHZILSHD-HNNXBMFYSA-N 1 1 284.359 3.133 20 10 CGCDMO Cc1ncsc1C[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000293261584 527497661 /nfs/dbraw/zinc/49/76/61/527497661.db2.gz XNIGHAGIGBCVEQ-UHFFFAOYSA-N 1 1 289.448 3.458 20 10 CGCDMO C[C@@H](CCN(C)C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000725849882 572443708 /nfs/dbraw/zinc/44/37/08/572443708.db2.gz ZLBZXYJSRRTRJW-HNNXBMFYSA-N 1 1 298.430 3.489 20 10 CGCDMO C[N@@H+](Cc1c(O)ccc2ccccc21)[C@H]1CCN(C2CC2)C1 ZINC000732189353 572451279 /nfs/dbraw/zinc/45/12/79/572451279.db2.gz QRSOLZCKEFMFQN-INIZCTEOSA-N 1 1 296.414 3.214 20 10 CGCDMO CC(C)[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)CCS1 ZINC000743395711 572656641 /nfs/dbraw/zinc/65/66/41/572656641.db2.gz LFFWVDMZUGARPD-KRWDZBQOSA-N 1 1 291.460 3.454 20 10 CGCDMO C[N@H+](Cc1cc2c(cc1O)CCCC2)C[C@@H]1CCCOC1 ZINC000160163090 617609312 /nfs/dbraw/zinc/60/93/12/617609312.db2.gz JZVWNXWJWWSZNU-AWEZNQCLSA-N 1 1 289.419 3.129 20 10 CGCDMO CCOC[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160349972 618000649 /nfs/dbraw/zinc/00/06/49/618000649.db2.gz AXPBVGYPXKCTJR-CQSZACIVSA-N 1 1 289.419 3.129 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070975812 618050226 /nfs/dbraw/zinc/05/02/26/618050226.db2.gz RJWGCWVINVXCHP-HNNXBMFYSA-N 1 1 263.381 3.173 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)Cc2ccsc2)c1O ZINC000050134119 618053548 /nfs/dbraw/zinc/05/35/48/618053548.db2.gz OKABQOWEZLCGDX-UHFFFAOYSA-N 1 1 293.363 3.427 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)Cc2ccsc2)c1O ZINC000050134119 618053555 /nfs/dbraw/zinc/05/35/55/618053555.db2.gz OKABQOWEZLCGDX-UHFFFAOYSA-N 1 1 293.363 3.427 20 10 CGCDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000187575628 618099640 /nfs/dbraw/zinc/09/96/40/618099640.db2.gz HRVCZHHCSBRBMN-QAPCUYQASA-N 1 1 288.435 3.144 20 10 CGCDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1O ZINC000255236647 618122189 /nfs/dbraw/zinc/12/21/89/618122189.db2.gz KCIOQVHYCRXEJR-TWGQIWQCSA-N 1 1 298.342 3.446 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(O)c1 ZINC000156846344 618148323 /nfs/dbraw/zinc/14/83/23/618148323.db2.gz MLBKIRXMAWLZQC-UHFFFAOYSA-N 1 1 284.403 3.480 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2ccc(N(C)C)c(F)c2)o1 ZINC000160853257 618162057 /nfs/dbraw/zinc/16/20/57/618162057.db2.gz GZFJSGCNEZADAF-UHFFFAOYSA-N 1 1 276.355 3.425 20 10 CGCDMO COc1ccc(C[N@@H+](C)C2CCC(C)CC2)c(O)c1OC ZINC000891508965 618233830 /nfs/dbraw/zinc/23/38/30/618233830.db2.gz JILJDRWMLMRQJL-UHFFFAOYSA-N 1 1 293.407 3.420 20 10 CGCDMO COc1ccc(C[N@@H+](CCC(C)C)C2CC2)c(O)c1OC ZINC000891592435 618240499 /nfs/dbraw/zinc/24/04/99/618240499.db2.gz JGAOORPNDFGQJE-UHFFFAOYSA-N 1 1 293.407 3.420 20 10 CGCDMO Oc1ccccc1C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000179585681 618796300 /nfs/dbraw/zinc/79/63/00/618796300.db2.gz XJBQBLXURYSJLC-GOSISDBHSA-N 1 1 297.398 3.226 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCOC3(CCCC3)C2)cc1C ZINC000164576026 618894837 /nfs/dbraw/zinc/89/48/37/618894837.db2.gz SWWDFUNRIPWGHC-UHFFFAOYSA-N 1 1 275.392 3.154 20 10 CGCDMO Oc1ccccc1C[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000892791776 618936566 /nfs/dbraw/zinc/93/65/66/618936566.db2.gz OGUVHDPHPVVRQR-UHFFFAOYSA-N 1 1 288.294 3.157 20 10 CGCDMO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)N1CCC(C)CC1 ZINC000185227347 619059081 /nfs/dbraw/zinc/05/90/81/619059081.db2.gz WTJHTBXBNBEZOR-KGLIPLIRSA-N 1 1 294.414 3.302 20 10 CGCDMO COc1ccc(C[N@H+]2CCCC[C@@H](C)C2)c(O)c1OC ZINC000893679665 619278129 /nfs/dbraw/zinc/27/81/29/619278129.db2.gz WLHBYLKVJYGTEM-GFCCVEGCSA-N 1 1 279.380 3.031 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](CC2CC2)C2CCC2)c1O ZINC000894636506 619592794 /nfs/dbraw/zinc/59/27/94/619592794.db2.gz LCCCZZVQUULOGL-UHFFFAOYSA-N 1 1 275.392 3.474 20 10 CGCDMO CCc1c[nH]c2nc[nH+]c(NCc3cc(C)ccc3O)c12 ZINC000894724940 619618535 /nfs/dbraw/zinc/61/85/35/619618535.db2.gz BWTBQNFJHGCNGK-UHFFFAOYSA-N 1 1 282.347 3.146 20 10 CGCDMO C[N@@H+](CCc1nccs1)Cc1cc2c(cc1O)CCC2 ZINC000178968793 619720605 /nfs/dbraw/zinc/72/06/05/619720605.db2.gz KRNDJWSRZWUMBW-UHFFFAOYSA-N 1 1 288.416 3.012 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)Cc2ccns2)cc1Cl ZINC000895451957 619832179 /nfs/dbraw/zinc/83/21/79/619832179.db2.gz HDPKVHDSJQBBEY-UHFFFAOYSA-N 1 1 282.796 3.443 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2ccns2)cc1Cl ZINC000895451957 619832180 /nfs/dbraw/zinc/83/21/80/619832180.db2.gz HDPKVHDSJQBBEY-UHFFFAOYSA-N 1 1 282.796 3.443 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000896232040 619971530 /nfs/dbraw/zinc/97/15/30/619971530.db2.gz VNZFHCMGVBYZHE-BEFAXECRSA-N 1 1 295.382 3.174 20 10 CGCDMO Cc1cnc(C[NH2+][C@H](C)c2ccc(F)cc2O)s1 ZINC000185569027 625386073 /nfs/dbraw/zinc/38/60/73/625386073.db2.gz WWLKWVCJCGGLTJ-SECBINFHSA-N 1 1 266.341 3.147 20 10 CGCDMO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2F)CCO1 ZINC000896644033 620039734 /nfs/dbraw/zinc/03/97/34/620039734.db2.gz VYXWKINQSSTYKN-ABAIWWIYSA-N 1 1 281.371 3.215 20 10 CGCDMO C[C@H](CCC(F)(F)F)[NH2+]Cc1c(O)cccc1F ZINC000896638585 620041458 /nfs/dbraw/zinc/04/14/58/620041458.db2.gz VZZIEOBQLPZMCF-MRVPVSSYSA-N 1 1 265.250 3.352 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+]2CCn3cccc3C2)cc1 ZINC000896761447 620057767 /nfs/dbraw/zinc/05/77/67/620057767.db2.gz ORBRWISAWLDNHL-HWKANZROSA-N 1 1 281.403 3.083 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCn3cccc3C2)cc1 ZINC000896761447 620057769 /nfs/dbraw/zinc/05/77/69/620057769.db2.gz ORBRWISAWLDNHL-HWKANZROSA-N 1 1 281.403 3.083 20 10 CGCDMO CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)CC1 ZINC000841747477 620353308 /nfs/dbraw/zinc/35/33/08/620353308.db2.gz BMEXPNLQSDGFMK-XHDPSFHLSA-N 1 1 297.826 3.493 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898318132 620511704 /nfs/dbraw/zinc/51/17/04/620511704.db2.gz OIUHJDYPVGXSDR-OAHLLOKOSA-N 1 1 290.313 3.306 20 10 CGCDMO CN(C)c1ccc([C@H]([NH3+])CNC/C=C/c2ccccc2)cc1 ZINC000841043987 620541381 /nfs/dbraw/zinc/54/13/81/620541381.db2.gz SHDYJDTYBANKQZ-MBNRZODZSA-N 1 1 295.430 3.055 20 10 CGCDMO CC[C@@H]([NH2+]CC1(C2(O)CCC2)CC1)c1ccc(F)cc1O ZINC000903258445 621646226 /nfs/dbraw/zinc/64/62/26/621646226.db2.gz VWNLACYQXQYMEV-CQSZACIVSA-N 1 1 293.382 3.267 20 10 CGCDMO C[C@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccc(F)cc1O ZINC000903280142 621660437 /nfs/dbraw/zinc/66/04/37/621660437.db2.gz BCRBCDICRWNSBZ-IWIMUOFNSA-N 1 1 279.355 3.140 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1[O-])CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903888507 621823490 /nfs/dbraw/zinc/82/34/90/621823490.db2.gz DNHNSCAEYHMVIP-ZXFUBFMLSA-N 1 1 288.435 3.135 20 10 CGCDMO CCC[N@H+](Cc1ccccc1[O-])CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903888507 621823493 /nfs/dbraw/zinc/82/34/93/621823493.db2.gz DNHNSCAEYHMVIP-ZXFUBFMLSA-N 1 1 288.435 3.135 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](c3ccn(C)n3)C2)cc1C ZINC000905725295 622100336 /nfs/dbraw/zinc/10/03/36/622100336.db2.gz YHVXCHRMWSECIK-OAHLLOKOSA-N 1 1 299.418 3.122 20 10 CGCDMO CC[NH+](CC)C[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000045692641 622886693 /nfs/dbraw/zinc/88/66/93/622886693.db2.gz ZQTMTPDLEKTORK-HUUCEWRRSA-N 1 1 277.456 3.134 20 10 CGCDMO CC[NH+](CC)C[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000045692639 622886910 /nfs/dbraw/zinc/88/69/10/622886910.db2.gz ZQTMTPDLEKTORK-GJZGRUSLSA-N 1 1 277.456 3.134 20 10 CGCDMO CCOc1ccc(O)c(CNc2ccc(C)c[nH+]2)c1 ZINC000157444385 622907465 /nfs/dbraw/zinc/90/74/65/622907465.db2.gz FMZHQKPACICAEK-UHFFFAOYSA-N 1 1 258.321 3.106 20 10 CGCDMO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(F)cc1O)N1CCCC1 ZINC000062745399 623265192 /nfs/dbraw/zinc/26/51/92/623265192.db2.gz OHXCMVDAZFSPGL-CJNGLKHVSA-N 1 1 294.414 3.302 20 10 CGCDMO C[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccc(F)cc1O ZINC000062747842 623266408 /nfs/dbraw/zinc/26/64/08/623266408.db2.gz MXURJLWNADMNKE-QWHCGFSZSA-N 1 1 280.387 3.056 20 10 CGCDMO Cc1csc(CC[NH2+][C@@H](C)c2ccc(F)cc2O)n1 ZINC000063133081 623301460 /nfs/dbraw/zinc/30/14/60/623301460.db2.gz VMUQBEVRLQSMRC-JTQLQIEISA-N 1 1 280.368 3.190 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)CCOc2ccccc2)c1 ZINC000154737201 624349094 /nfs/dbraw/zinc/34/90/94/624349094.db2.gz NZHSDYAOAOYMMS-UHFFFAOYSA-N 1 1 271.360 3.211 20 10 CGCDMO COc1cccc(C[N@H+]2Cc3ccccc3C[C@H]2C)c1O ZINC000179910584 624696234 /nfs/dbraw/zinc/69/62/34/624696234.db2.gz MDASHZONKWHTQQ-CYBMUJFWSA-N 1 1 283.371 3.348 20 10 CGCDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccccc1O ZINC000182033431 624931790 /nfs/dbraw/zinc/93/17/90/624931790.db2.gz ZGTVQDLLUYLIIJ-KRWDZBQOSA-N 1 1 285.387 3.082 20 10 CGCDMO C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccccc1O ZINC000183955614 625182749 /nfs/dbraw/zinc/18/27/49/625182749.db2.gz FXQBKJMWBCHBKW-AWEZNQCLSA-N 1 1 276.424 3.165 20 10 CGCDMO Cc1ccc(O)c(CNc2[nH+]c3cc(F)ccc3n2C)c1 ZINC000184256808 625216784 /nfs/dbraw/zinc/21/67/84/625216784.db2.gz ANJBTSWQGJBSLE-UHFFFAOYSA-N 1 1 285.322 3.339 20 10 CGCDMO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)C[C@H](C)O1 ZINC000184683838 625263501 /nfs/dbraw/zinc/26/35/01/625263501.db2.gz BMAVKIBXYXVWOC-GWCFXTLKSA-N 1 1 299.798 3.054 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2O)C[C@H](C)O1 ZINC000184683838 625263507 /nfs/dbraw/zinc/26/35/07/625263507.db2.gz BMAVKIBXYXVWOC-GWCFXTLKSA-N 1 1 299.798 3.054 20 10 CGCDMO CCOC[C@@H]1CCCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000839168422 626324472 /nfs/dbraw/zinc/32/44/72/626324472.db2.gz ANGIGARJYIWBFE-INIZCTEOSA-N 1 1 277.408 3.400 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CSCCS1)c1c(O)cccc1F ZINC000886536856 626362043 /nfs/dbraw/zinc/36/20/43/626362043.db2.gz POPFCRXGXMUQKZ-VHSXEESVSA-N 1 1 287.425 3.031 20 10 CGCDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cc(C)cc(C)c1O ZINC000754739750 626585737 /nfs/dbraw/zinc/58/57/37/626585737.db2.gz NWTQREKVBNYTEC-QGZVFWFLSA-N 1 1 299.418 3.388 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1cc(F)cc(F)c1O ZINC000756344208 626693790 /nfs/dbraw/zinc/69/37/90/626693790.db2.gz SEHNZCSTVSNIQN-ZJUUUORDSA-N 1 1 278.302 3.477 20 10 CGCDMO C[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(F)cc1O ZINC000756361106 626696189 /nfs/dbraw/zinc/69/61/89/626696189.db2.gz FSIWMMRKRATSLX-NSHDSACASA-N 1 1 285.322 3.030 20 10 CGCDMO C[C@H]([NH2+]C[C@H](C)N1CCCC[C@H]1C)c1ccc(F)cc1O ZINC000756413083 626703285 /nfs/dbraw/zinc/70/32/85/626703285.db2.gz XLIADZQXDMGICS-RDBSUJKOSA-N 1 1 294.414 3.445 20 10 CGCDMO C[C@@H]([NH2+]CCN(C)C1CCCCC1)c1ccc(F)cc1O ZINC000756458737 626706956 /nfs/dbraw/zinc/70/69/56/626706956.db2.gz YARHENDXZCKFFO-CYBMUJFWSA-N 1 1 294.414 3.446 20 10 CGCDMO CC[N@H+](CCN[C@@H](C)c1ccc(C)cc1O)C(C)C ZINC000756526926 626712546 /nfs/dbraw/zinc/71/25/46/626712546.db2.gz UPJHBHDNTTUBJR-AWEZNQCLSA-N 1 1 264.413 3.082 20 10 CGCDMO CC[N@@H+](CCN[C@@H](C)c1ccc(C)cc1O)C(C)C ZINC000756526926 626712548 /nfs/dbraw/zinc/71/25/48/626712548.db2.gz UPJHBHDNTTUBJR-AWEZNQCLSA-N 1 1 264.413 3.082 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1ccc(F)cc1O ZINC000756636381 626722923 /nfs/dbraw/zinc/72/29/23/626722923.db2.gz XDBNYXZEVPHQRN-VXGBXAGGSA-N 1 1 274.339 3.381 20 10 CGCDMO CCC[N@H+](CC)CCN[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756638869 626723516 /nfs/dbraw/zinc/72/35/16/626723516.db2.gz WJHVWEOHSLNPTN-GXTWGEPZSA-N 1 1 294.414 3.401 20 10 CGCDMO CCC[N@@H+](CC)CCN[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756638869 626723518 /nfs/dbraw/zinc/72/35/18/626723518.db2.gz WJHVWEOHSLNPTN-GXTWGEPZSA-N 1 1 294.414 3.401 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCCS1)c1cc(F)cc(F)c1O ZINC000756651190 626724646 /nfs/dbraw/zinc/72/46/46/626724646.db2.gz VHXVOKNJCQQEGL-WPRPVWTQSA-N 1 1 273.348 3.217 20 10 CGCDMO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000756735770 626728585 /nfs/dbraw/zinc/72/85/85/626728585.db2.gz HUVRGAXQRAWJNT-ZWNOBZJWSA-N 1 1 295.379 3.285 20 10 CGCDMO Cc1ncc(CC[NH2+][C@@H](C)c2cc(F)cc(F)c2O)s1 ZINC000756761706 626730180 /nfs/dbraw/zinc/73/01/80/626730180.db2.gz RDLPBOPYGWCGJB-QMMMGPOBSA-N 1 1 298.358 3.329 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CC3(CCC3)C[C@@H]2C)c1O ZINC000762145047 627094961 /nfs/dbraw/zinc/09/49/61/627094961.db2.gz SFORZZPGMZKNNB-ZDUSSCGKSA-N 1 1 275.392 3.474 20 10 CGCDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000768143530 627462956 /nfs/dbraw/zinc/46/29/56/627462956.db2.gz LMTBXVTZECEXAG-GFCCVEGCSA-N 1 1 250.361 3.266 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000768139527 627463135 /nfs/dbraw/zinc/46/31/35/627463135.db2.gz QWTWOYJIMSYICV-LBPRGKRZSA-N 1 1 250.361 3.124 20 10 CGCDMO CCn1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000768257125 627470970 /nfs/dbraw/zinc/47/09/70/627470970.db2.gz GXVTWSJGLIMCHY-UHFFFAOYSA-N 1 1 298.434 3.134 20 10 CGCDMO CC[C@@H]1CCC[N@@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768438574 627479630 /nfs/dbraw/zinc/47/96/30/627479630.db2.gz CCFXECRWRQPUAX-CYBMUJFWSA-N 1 1 263.381 3.331 20 10 CGCDMO CCC[N@@H+](CCN1CCC(C)CC1)Cc1ccccc1O ZINC000768540658 627485088 /nfs/dbraw/zinc/48/50/88/627485088.db2.gz AMBNFOOABMUQNE-UHFFFAOYSA-N 1 1 290.451 3.336 20 10 CGCDMO CCCN(CC[NH+]1CCC(C)CC1)Cc1ccccc1O ZINC000768540658 627485092 /nfs/dbraw/zinc/48/50/92/627485092.db2.gz AMBNFOOABMUQNE-UHFFFAOYSA-N 1 1 290.451 3.336 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1 ZINC000768537119 627485267 /nfs/dbraw/zinc/48/52/67/627485267.db2.gz MNGXCONBYSOTOP-LSDHHAIUSA-N 1 1 276.424 3.142 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)Cc2c(C)noc2C)c(O)c1 ZINC000768782707 627499019 /nfs/dbraw/zinc/49/90/19/627499019.db2.gz WQUJXCXDDGFTNX-UHFFFAOYSA-N 1 1 290.363 3.028 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H](C)CC2)c(O)c1 ZINC000769148728 627525801 /nfs/dbraw/zinc/52/58/01/627525801.db2.gz QJXTWPZQLDAVCK-CYBMUJFWSA-N 1 1 263.381 3.413 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)CC2CCCC2)c(O)c1 ZINC000769192341 627530463 /nfs/dbraw/zinc/53/04/63/627530463.db2.gz NXRFMAATFUCKHK-UHFFFAOYSA-N 1 1 263.381 3.413 20 10 CGCDMO CCC[N@H+](Cc1c(O)cccc1OC)C[C@@H]1CCCCO1 ZINC000769337072 627543668 /nfs/dbraw/zinc/54/36/68/627543668.db2.gz CLWWIBAFMHLTEK-AWEZNQCLSA-N 1 1 293.407 3.182 20 10 CGCDMO COc1cccc(C[N@H+]2CCCc3sccc3C2)c1O ZINC000769387180 627547784 /nfs/dbraw/zinc/54/77/84/627547784.db2.gz JNRGMFIILMXOKO-UHFFFAOYSA-N 1 1 289.400 3.411 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000769505949 627560944 /nfs/dbraw/zinc/56/09/44/627560944.db2.gz LIMJQVNMLYNJJH-OAHLLOKOSA-N 1 1 283.371 3.218 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](C3CC3)C2)cc1F ZINC000769516996 627562196 /nfs/dbraw/zinc/56/21/96/627562196.db2.gz XXYISPQSYHUEPT-AWEZNQCLSA-N 1 1 262.372 3.124 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC[C@@H](OCC(C)C)C2)c(O)c1 ZINC000770329200 627613601 /nfs/dbraw/zinc/61/36/01/627613601.db2.gz SGNNZYXZUIACEL-MRXNPFEDSA-N 1 1 293.407 3.038 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2[nH]nc3ccccc32)cc1 ZINC000771935152 627746705 /nfs/dbraw/zinc/74/67/05/627746705.db2.gz LAOGOMDXJMVZQT-UHFFFAOYSA-N 1 1 294.402 3.261 20 10 CGCDMO CN(C)c1ccc(C[N@H+](C)Cc2n[nH]c3ccccc32)cc1 ZINC000771935152 627746707 /nfs/dbraw/zinc/74/67/07/627746707.db2.gz LAOGOMDXJMVZQT-UHFFFAOYSA-N 1 1 294.402 3.261 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2n[nH]c3ccccc32)cc1 ZINC000771935152 627746708 /nfs/dbraw/zinc/74/67/08/627746708.db2.gz LAOGOMDXJMVZQT-UHFFFAOYSA-N 1 1 294.402 3.261 20 10 CGCDMO Cc1cc(C[NH2+][C@H](C)c2cscn2)ccc1N(C)C ZINC000772999565 627839206 /nfs/dbraw/zinc/83/92/06/627839206.db2.gz MQCVRAMWRPRDHA-GFCCVEGCSA-N 1 1 275.421 3.368 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCS[C@H](C)[C@H]2C)cc1 ZINC000773750925 627910583 /nfs/dbraw/zinc/91/05/83/627910583.db2.gz FPYAWMNUXOSHGV-ZIAGYGMSSA-N 1 1 278.465 3.469 20 10 CGCDMO CCN(C)c1ccc(C[N@H+](C)CC2(N(C)C)CCC2)cc1 ZINC000773888846 627924995 /nfs/dbraw/zinc/92/49/95/627924995.db2.gz QZAGWXGFEKFTBG-UHFFFAOYSA-N 1 1 289.467 3.059 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)CC2(N(C)C)CCC2)cc1 ZINC000773888846 627924999 /nfs/dbraw/zinc/92/49/99/627924999.db2.gz QZAGWXGFEKFTBG-UHFFFAOYSA-N 1 1 289.467 3.059 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC(C)(C)OC[C@@H]2C)cc1 ZINC000773887167 627925379 /nfs/dbraw/zinc/92/53/79/627925379.db2.gz CFQGHLHMUQIAOY-AWEZNQCLSA-N 1 1 276.424 3.142 20 10 CGCDMO C[C@H]([NH2+]CC1(CO)CC1)c1cc(Cl)c(Cl)cc1O ZINC000774210535 627963676 /nfs/dbraw/zinc/96/36/76/627963676.db2.gz TXCLXHMTRJJXRX-QMMMGPOBSA-N 1 1 290.190 3.122 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C[C@H]2CCC=CO2)C2CC2)cc1 ZINC000774834216 628036273 /nfs/dbraw/zinc/03/62/73/628036273.db2.gz DMNCEHCJOZNPLL-GOSISDBHSA-N 1 1 286.419 3.410 20 10 CGCDMO CCC[C@]1(COC)CCC[N@H+]1Cc1cc(F)ccc1O ZINC000775206176 628072561 /nfs/dbraw/zinc/07/25/61/628072561.db2.gz VVYRNODGOWRTNB-MRXNPFEDSA-N 1 1 281.371 3.312 20 10 CGCDMO C[C@H]([NH2+]Cc1coc(C2CC2)n1)c1ccc(N(C)C)cc1 ZINC000775363988 628086500 /nfs/dbraw/zinc/08/65/00/628086500.db2.gz ONLKGGAKQHAXNZ-LBPRGKRZSA-N 1 1 285.391 3.469 20 10 CGCDMO CCCC[N@H+](C)C[C@@H](C)N[C@H](C)c1cc(F)ccc1O ZINC000810244953 628243202 /nfs/dbraw/zinc/24/32/02/628243202.db2.gz LHESSQSVTRQRBD-CHWSQXEVSA-N 1 1 282.403 3.302 20 10 CGCDMO CCCC[N@@H+](C)C[C@@H](C)N[C@H](C)c1cc(F)ccc1O ZINC000810244953 628243203 /nfs/dbraw/zinc/24/32/03/628243203.db2.gz LHESSQSVTRQRBD-CHWSQXEVSA-N 1 1 282.403 3.302 20 10 CGCDMO CCOc1ccc(CNc2[nH+]c(C)ccc2OC)c(O)c1 ZINC000777505651 628276403 /nfs/dbraw/zinc/27/64/03/628276403.db2.gz URRULOGTYVNKBR-UHFFFAOYSA-N 1 1 288.347 3.115 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@H](C(C)C)C2)c1O ZINC000779151288 628390648 /nfs/dbraw/zinc/39/06/48/628390648.db2.gz XLKNHURXCQLSOE-AWEZNQCLSA-N 1 1 283.799 3.211 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCO[C@H](C(C)C)C2)c1O ZINC000779151288 628390651 /nfs/dbraw/zinc/39/06/51/628390651.db2.gz XLKNHURXCQLSOE-AWEZNQCLSA-N 1 1 283.799 3.211 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC[C@H]1O ZINC000779199143 628393731 /nfs/dbraw/zinc/39/37/31/628393731.db2.gz UWQDSZXCFDFVDE-RDTXWAMCSA-N 1 1 297.398 3.262 20 10 CGCDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C[C@H]1O ZINC000779432242 628413357 /nfs/dbraw/zinc/41/33/57/628413357.db2.gz PQLMPRHVHGSJDG-UKRRQHHQSA-N 1 1 297.826 3.275 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H](OC(F)F)C1)CCC2 ZINC000781150011 628541763 /nfs/dbraw/zinc/54/17/63/628541763.db2.gz PNOZQCKIAFELOH-AWEZNQCLSA-N 1 1 297.345 3.085 20 10 CGCDMO CC[C@H](CCO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788604582 629068632 /nfs/dbraw/zinc/06/86/32/629068632.db2.gz UNQHKIFHGCVUCH-VHSXEESVSA-N 1 1 291.313 3.223 20 10 CGCDMO CC[C@H](COC)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788606313 629069163 /nfs/dbraw/zinc/06/91/63/629069163.db2.gz ZNQHUSONYDXMDO-VHSXEESVSA-N 1 1 291.313 3.487 20 10 CGCDMO CC[C@H](O)CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788629375 629070358 /nfs/dbraw/zinc/07/03/58/629070358.db2.gz AVFPMXYUDVAGAG-UWVGGRQHSA-N 1 1 291.313 3.223 20 10 CGCDMO CC(C)[N@@H+](CCC[C@H](C)O)Cc1ccc(N(C)C)cc1 ZINC000789310780 629122994 /nfs/dbraw/zinc/12/29/94/629122994.db2.gz VRAPEEACWWKINZ-HNNXBMFYSA-N 1 1 278.440 3.124 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000789518414 629141740 /nfs/dbraw/zinc/14/17/40/629141740.db2.gz YPURXXPSVDKGPX-JKSUJKDBSA-N 1 1 275.392 3.152 20 10 CGCDMO CCn1ccc(C[N@@H+](C)Cc2cc(C)c(C)cc2O)c1 ZINC000790451719 629211561 /nfs/dbraw/zinc/21/15/61/629211561.db2.gz PVAPWLSGJHENPZ-UHFFFAOYSA-N 1 1 272.392 3.462 20 10 CGCDMO C[C@@H]1CCSCC[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000790476327 629212271 /nfs/dbraw/zinc/21/22/71/629212271.db2.gz DQESAEDJIRQGAL-GFCCVEGCSA-N 1 1 277.433 3.208 20 10 CGCDMO Cc1ccc(CC[NH2+]Cc2c(O)ccc(Cl)c2F)o1 ZINC000790950124 629242655 /nfs/dbraw/zinc/24/26/55/629242655.db2.gz UIZHERYLCUMKCF-UHFFFAOYSA-N 1 1 283.730 3.418 20 10 CGCDMO CC(C)[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C(C)(C)O ZINC000790994744 629247819 /nfs/dbraw/zinc/24/78/19/629247819.db2.gz CRFAEAQCVCERNQ-ZDUSSCGKSA-N 1 1 289.778 3.070 20 10 CGCDMO CCn1ccc(C[N@@H+](C)Cc2cc(C)ccc2O)c1 ZINC000792182935 629346148 /nfs/dbraw/zinc/34/61/48/629346148.db2.gz HVEOGXWODFSIHL-UHFFFAOYSA-N 1 1 258.365 3.154 20 10 CGCDMO COCC[N@@H+](Cc1cccc(OC)c1O)[C@@H]1CC[C@H](C)C1 ZINC000792192822 629346963 /nfs/dbraw/zinc/34/69/63/629346963.db2.gz NZUNXUBAKHTSOM-DZGCQCFKSA-N 1 1 293.407 3.038 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2Cc3ccc(O)cc3C2)cc1C ZINC000862449834 629380573 /nfs/dbraw/zinc/38/05/73/629380573.db2.gz KPUXHBUMSZYXLY-UHFFFAOYSA-N 1 1 269.344 3.230 20 10 CGCDMO CC(C)CC[C@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000862481617 629384599 /nfs/dbraw/zinc/38/45/99/629384599.db2.gz YZMGBUYRTSTOSP-LLVKDONJSA-N 1 1 289.778 3.071 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCCC2(CC2)CC1 ZINC000862538771 629394510 /nfs/dbraw/zinc/39/45/10/629394510.db2.gz FKKJOKBTCUFINM-UHFFFAOYSA-N 1 1 261.365 3.167 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CC[C@H](C)NC2)c1O ZINC000863548291 629603896 /nfs/dbraw/zinc/60/38/96/629603896.db2.gz WVSWOXVSZOIVBK-GVXVVHGQSA-N 1 1 282.815 3.145 20 10 CGCDMO CCCCOCC[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000796726677 629820874 /nfs/dbraw/zinc/82/08/74/629820874.db2.gz YJIPXNKZHYNGQD-CQSZACIVSA-N 1 1 269.360 3.389 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H]1CCCS1)c1ccc(F)cc1O ZINC000796792616 629834974 /nfs/dbraw/zinc/83/49/74/629834974.db2.gz JYQZVKAGZNXFSS-DGCLKSJQSA-N 1 1 269.385 3.468 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1ccc(F)cc1O ZINC000796947956 629863857 /nfs/dbraw/zinc/86/38/57/629863857.db2.gz KVSFGFBBQIIDDT-TUKIKUTGSA-N 1 1 281.371 3.123 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cnn2ccccc12)c1ccc(F)cc1O ZINC000797054694 629878341 /nfs/dbraw/zinc/87/83/41/629878341.db2.gz YQQBGCPMUUAUCW-OAHLLOKOSA-N 1 1 299.349 3.420 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@H](F)C2)c(O)c(C(C)(C)C)c1 ZINC000840107829 630596653 /nfs/dbraw/zinc/59/66/53/630596653.db2.gz ZCIPPPKLAQLTFD-LBPRGKRZSA-N 1 1 281.371 3.242 20 10 CGCDMO CS[C@H]1C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000865734427 630606380 /nfs/dbraw/zinc/60/63/80/630606380.db2.gz YABGZTCIZVGYAU-ZKCHVHJHSA-N 1 1 275.776 3.168 20 10 CGCDMO CCOc1cccc(C[NH2+]C2(C(F)F)CCCC2)c1O ZINC000808451705 630646392 /nfs/dbraw/zinc/64/63/92/630646392.db2.gz PLGRIXPYTDJCRZ-UHFFFAOYSA-N 1 1 285.334 3.458 20 10 CGCDMO Cc1ccc(O)c(C[NH2+]C2(C(F)F)CCCC2)c1 ZINC000808451727 630646465 /nfs/dbraw/zinc/64/64/65/630646465.db2.gz QEIPFTUAFBVOJG-UHFFFAOYSA-N 1 1 255.308 3.368 20 10 CGCDMO CCCC[N@H+](C)C[C@@H](C)NCc1cc(OCC)ccc1O ZINC000810162980 630848997 /nfs/dbraw/zinc/84/89/97/630848997.db2.gz HRODFLCLJUKURR-CQSZACIVSA-N 1 1 294.439 3.001 20 10 CGCDMO CCCC[N@@H+](C)C[C@@H](C)NCc1cc(OCC)ccc1O ZINC000810162980 630849000 /nfs/dbraw/zinc/84/90/00/630849000.db2.gz HRODFLCLJUKURR-CQSZACIVSA-N 1 1 294.439 3.001 20 10 CGCDMO CCC[N@H+](CC)C[C@H](C)N[C@@H](C)c1ccccc1O ZINC000810264214 630862181 /nfs/dbraw/zinc/86/21/81/630862181.db2.gz YRKOTEMBSKPCNS-KBPBESRZSA-N 1 1 264.413 3.163 20 10 CGCDMO CCC[N@@H+](CC)C[C@H](C)N[C@@H](C)c1ccccc1O ZINC000810264214 630862186 /nfs/dbraw/zinc/86/21/86/630862186.db2.gz YRKOTEMBSKPCNS-KBPBESRZSA-N 1 1 264.413 3.163 20 10 CGCDMO CCCC[C@H](C)[N@@H+](C)Cc1c(O)cccc1OC ZINC000811520024 631083638 /nfs/dbraw/zinc/08/36/38/631083638.db2.gz ITGQLXPCNKIZCF-LBPRGKRZSA-N 1 1 251.370 3.411 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC(F)(F)[C@H](C)C2)c1O ZINC000811781091 631119512 /nfs/dbraw/zinc/11/95/12/631119512.db2.gz UNJGMFZKIOJNGY-LLVKDONJSA-N 1 1 285.334 3.186 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](n3cccn3)C2)cc1C(C)C ZINC000812294519 631236578 /nfs/dbraw/zinc/23/65/78/631236578.db2.gz OXTUQPGULBZZFX-MRXNPFEDSA-N 1 1 299.418 3.468 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2c(C)cccc2O)cc1 ZINC000876532227 634852294 /nfs/dbraw/zinc/85/22/94/634852294.db2.gz ZWZRALBANIIAOV-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO CC(C)[C@@H]1[N@@H+](Cc2cc3c(cc2O)OCO3)CC12CCC2 ZINC000814170738 631537121 /nfs/dbraw/zinc/53/71/21/631537121.db2.gz CSEMWISLGQHJLD-INIZCTEOSA-N 1 1 289.375 3.131 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2Cc3ccccc3O[C@H](C)C2)c1 ZINC000814177668 631537864 /nfs/dbraw/zinc/53/78/64/631537864.db2.gz LIMPHDAWLVAZCD-CQSZACIVSA-N 1 1 283.371 3.484 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)ccc1N(C)C ZINC000815079226 631712941 /nfs/dbraw/zinc/71/29/41/631712941.db2.gz NRECPYPDIKQNTC-CYBMUJFWSA-N 1 1 286.341 3.445 20 10 CGCDMO Cc1cc(C[N@H+]([C@@H](C)CO)C2CCCC2)ccc1N(C)C ZINC000815098199 631716705 /nfs/dbraw/zinc/71/67/05/631716705.db2.gz CRFYNGFAHYAODM-HNNXBMFYSA-N 1 1 290.451 3.186 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+]([C@H](C)CO)C2CCCC2)cc1 ZINC000815099716 631716842 /nfs/dbraw/zinc/71/68/42/631716842.db2.gz YXFDMNRREUQWRO-OAHLLOKOSA-N 1 1 290.451 3.268 20 10 CGCDMO Cc1cc(C[N@H+]2CCS[C@@H](C)CC2)ccc1N(C)C ZINC000815101770 631717487 /nfs/dbraw/zinc/71/74/87/631717487.db2.gz ANOZTROCZOFDQG-AWEZNQCLSA-N 1 1 278.465 3.388 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)cc1 ZINC000815104799 631717601 /nfs/dbraw/zinc/71/76/01/631717601.db2.gz VLDSPDWKFRIYAH-KRWDZBQOSA-N 1 1 284.407 3.203 20 10 CGCDMO CC1(C)[C@@H]2C[N@H+](Cc3cc(Cl)c(F)cc3[O-])C[C@@H]21 ZINC000816515208 632000333 /nfs/dbraw/zinc/00/03/33/632000333.db2.gz SCZVARIFLOOXAB-AOOOYVTPSA-N 1 1 269.747 3.273 20 10 CGCDMO CC1(C)[C@@H]2C[N@@H+](Cc3cc(Cl)c(F)cc3O)C[C@@H]21 ZINC000816515208 632000339 /nfs/dbraw/zinc/00/03/39/632000339.db2.gz SCZVARIFLOOXAB-AOOOYVTPSA-N 1 1 269.747 3.273 20 10 CGCDMO CC1(C)[C@@H]2C[N@H+](Cc3cc(Cl)c(F)cc3O)C[C@@H]21 ZINC000816515208 632000349 /nfs/dbraw/zinc/00/03/49/632000349.db2.gz SCZVARIFLOOXAB-AOOOYVTPSA-N 1 1 269.747 3.273 20 10 CGCDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc2ccccc2c1O ZINC000816513206 632000664 /nfs/dbraw/zinc/00/06/64/632000664.db2.gz JWKZZCFUQSCTMM-CJNGLKHVSA-N 1 1 285.387 3.281 20 10 CGCDMO Oc1c(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)ccc2ccccc21 ZINC000816516833 632002468 /nfs/dbraw/zinc/00/24/68/632002468.db2.gz SNPCDCLAZAKWPK-DOTOQJQBSA-N 1 1 297.398 3.404 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccco1 ZINC000816528849 632004132 /nfs/dbraw/zinc/00/41/32/632004132.db2.gz ULRLBPADUAJAAK-UHFFFAOYSA-N 1 1 255.676 3.068 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CCc1ccco1 ZINC000816529575 632004422 /nfs/dbraw/zinc/00/44/22/632004422.db2.gz YBUPNHZOBKKOIX-UHFFFAOYSA-N 1 1 269.703 3.110 20 10 CGCDMO CCc1nc(C)c(C[NH2+]Cc2cc(Cl)c(F)cc2O)o1 ZINC000816618372 632024225 /nfs/dbraw/zinc/02/42/25/632024225.db2.gz WCSYHUHAHGECRZ-UHFFFAOYSA-N 1 1 298.745 3.333 20 10 CGCDMO CN1CCC[C@@H]1C[N@@H+](C)Cc1ccc2ccccc2c1O ZINC000817417513 632146885 /nfs/dbraw/zinc/14/68/85/632146885.db2.gz OQOIRVUTHMBQGY-MRXNPFEDSA-N 1 1 284.403 3.071 20 10 CGCDMO CN(Cc1ccc2ccccc2c1O)C[C@H]1CCC[N@@H+]1C ZINC000817417513 632146894 /nfs/dbraw/zinc/14/68/94/632146894.db2.gz OQOIRVUTHMBQGY-MRXNPFEDSA-N 1 1 284.403 3.071 20 10 CGCDMO CN(Cc1ccc2ccccc2c1O)C[C@H]1CCC[N@H+]1C ZINC000817417513 632146898 /nfs/dbraw/zinc/14/68/98/632146898.db2.gz OQOIRVUTHMBQGY-MRXNPFEDSA-N 1 1 284.403 3.071 20 10 CGCDMO Cc1ccc([C@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817938679 632239253 /nfs/dbraw/zinc/23/92/53/632239253.db2.gz PLYJKAKVEXSMIP-HNAYVOBHSA-N 1 1 297.446 3.412 20 10 CGCDMO CN(C)c1ccc([C@@H]([NH3+])CN[C@@H]2CCc3ccccc32)cc1 ZINC000817938895 632239362 /nfs/dbraw/zinc/23/93/62/632239362.db2.gz VFBAKPXUFXFHIS-RBUKOAKNSA-N 1 1 295.430 3.030 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817942159 632240766 /nfs/dbraw/zinc/24/07/66/632240766.db2.gz XMEFISKATSTVIL-RKDXNWHRSA-N 1 1 289.206 3.102 20 10 CGCDMO COc1ccc(O)c([C@@H](C)NCC2([NH3+])CCCCCC2)c1 ZINC000817943404 632242237 /nfs/dbraw/zinc/24/22/37/632242237.db2.gz MYGKNALWCVQYPN-CYBMUJFWSA-N 1 1 292.423 3.103 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)CCC[NH3+])c1cc(Cl)ccc1[O-] ZINC000817977214 632269242 /nfs/dbraw/zinc/26/92/42/632269242.db2.gz DYUZUCKRWHDZKM-GWCFXTLKSA-N 1 1 270.804 3.214 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2CC23CC3)c1 ZINC000818230608 632300002 /nfs/dbraw/zinc/30/00/02/632300002.db2.gz PWWBFSSMTDZMMB-NSHDSACASA-N 1 1 282.181 3.105 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@](C)(F)C2)cc1C ZINC000824471912 633249036 /nfs/dbraw/zinc/24/90/36/633249036.db2.gz IOJZVDIOBIAJEI-HNNXBMFYSA-N 1 1 251.345 3.333 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(O)c1 ZINC000876581548 634862381 /nfs/dbraw/zinc/86/23/81/634862381.db2.gz MODWGEMLGCOGRE-UHFFFAOYSA-N 1 1 286.331 3.241 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)[C@H](CO)C(C)(C)C)cc1Cl ZINC000824905785 633304211 /nfs/dbraw/zinc/30/42/11/633304211.db2.gz CXWBHFKQXXFLDJ-CQSZACIVSA-N 1 1 285.815 3.193 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000824941117 633308523 /nfs/dbraw/zinc/30/85/23/633308523.db2.gz IZKGAZILCDIDNW-HOCLYGCPSA-N 1 1 261.340 3.152 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000824942089 633308650 /nfs/dbraw/zinc/30/86/50/633308650.db2.gz VYOZGIBFWYDXSF-SUMWQHHRSA-N 1 1 273.376 3.021 20 10 CGCDMO C[N@@H+](Cc1cc(Cl)ccc1O)[C@H](CO)CC(C)(C)C ZINC000825040624 633321104 /nfs/dbraw/zinc/32/11/04/633321104.db2.gz QENLCOCMUUZBFH-ZDUSSCGKSA-N 1 1 285.815 3.275 20 10 CGCDMO CCc1ncc(C[NH2+]Cc2cc(Cl)c(F)cc2O)o1 ZINC000825079652 633327041 /nfs/dbraw/zinc/32/70/41/633327041.db2.gz YNXLMUVRVWIAHX-UHFFFAOYSA-N 1 1 284.718 3.025 20 10 CGCDMO COC[C@@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2O)CC1 ZINC000825321937 633345581 /nfs/dbraw/zinc/34/55/81/633345581.db2.gz RTTSWIPYVDXDCM-OAHLLOKOSA-N 1 1 277.408 3.258 20 10 CGCDMO CC[C@]1(CO)CCC[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC000825634549 633369216 /nfs/dbraw/zinc/36/92/16/633369216.db2.gz OJYLUCIQAWBUSQ-OAHLLOKOSA-N 1 1 283.799 3.091 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@]3(CCOC3)C2)cc1Cl ZINC000826097033 633405298 /nfs/dbraw/zinc/40/52/98/633405298.db2.gz MTRXLQFUAXQEGH-INIZCTEOSA-N 1 1 295.810 3.357 20 10 CGCDMO C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccn1 ZINC000826802622 633434077 /nfs/dbraw/zinc/43/40/77/633434077.db2.gz IDSCTAHXQHLCOM-SNVBAGLBSA-N 1 1 294.757 3.473 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000827506583 633495664 /nfs/dbraw/zinc/49/56/64/633495664.db2.gz JJBZYXSICDGSGW-IUCAKERBSA-N 1 1 255.720 3.027 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000827506583 633495667 /nfs/dbraw/zinc/49/56/67/633495667.db2.gz JJBZYXSICDGSGW-IUCAKERBSA-N 1 1 255.720 3.027 20 10 CGCDMO Cc1cc(C[N@H+](C)Cc2cc[nH]n2)ccc1N1CCCCC1 ZINC000827803433 633519524 /nfs/dbraw/zinc/51/95/24/633519524.db2.gz OYJIWQVUUGJIGD-UHFFFAOYSA-N 1 1 298.434 3.340 20 10 CGCDMO Cc1cc(C[N@@H+](C)Cc2cc[nH]n2)ccc1N1CCCCC1 ZINC000827803433 633519525 /nfs/dbraw/zinc/51/95/25/633519525.db2.gz OYJIWQVUUGJIGD-UHFFFAOYSA-N 1 1 298.434 3.340 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)C[C@H]2CC2(C)C)c1O ZINC000827941061 633538387 /nfs/dbraw/zinc/53/83/87/633538387.db2.gz BUVUAGLAKCWSQY-CYBMUJFWSA-N 1 1 263.381 3.269 20 10 CGCDMO CC[C@@H]([NH2+]CCC1(CO)CCC1)c1ccc(F)cc1O ZINC000846210754 636159202 /nfs/dbraw/zinc/15/92/02/636159202.db2.gz PGYCGWDDDIXERW-CQSZACIVSA-N 1 1 281.371 3.125 20 10 CGCDMO Cc1cc(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)ccn1 ZINC000834859644 634258093 /nfs/dbraw/zinc/25/80/93/634258093.db2.gz HBDXXHGBBJTSLE-SNVBAGLBSA-N 1 1 278.302 3.225 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)CC(C)(C)O)c1ccc(F)cc1O ZINC000834877095 634263696 /nfs/dbraw/zinc/26/36/96/634263696.db2.gz XWFQUFWTRFLKNZ-ZWNOBZJWSA-N 1 1 269.360 3.122 20 10 CGCDMO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000834897284 634274379 /nfs/dbraw/zinc/27/43/79/634274379.db2.gz ZNRCHWZKFYQEQG-WDEREUQCSA-N 1 1 277.343 3.160 20 10 CGCDMO CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)c1ccc(F)cc1O ZINC000834905164 634280987 /nfs/dbraw/zinc/28/09/87/634280987.db2.gz TZMHNBGUIKUNHK-ZDUSSCGKSA-N 1 1 283.387 3.369 20 10 CGCDMO COc1cccnc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000834905373 634281080 /nfs/dbraw/zinc/28/10/80/634281080.db2.gz GMEWVAADYKPCSB-ZDUSSCGKSA-N 1 1 285.391 3.007 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Cl)ccc1[O-] ZINC000873265717 634311377 /nfs/dbraw/zinc/31/13/77/634311377.db2.gz XDHRXKAHDGLKRV-MHDGFBEUSA-N 1 1 294.826 3.227 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)C1CC[NH2+]CC1 ZINC000873269490 634312930 /nfs/dbraw/zinc/31/29/30/634312930.db2.gz QFMSDPLIWLAOIY-MISXGVKJSA-N 1 1 292.398 3.057 20 10 CGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)c1[O-] ZINC000873272410 634314795 /nfs/dbraw/zinc/31/47/95/634314795.db2.gz RXFHIAWOZOIQHI-NWDGAFQWSA-N 1 1 296.842 3.393 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+](CCO)CC(C)(C)C)cc1 ZINC000835024912 634323879 /nfs/dbraw/zinc/32/38/79/634323879.db2.gz AVGZMFCECYGMGM-VOTSOKGWSA-N 1 1 290.451 3.106 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H]2C(C)(C)O)cc1 ZINC000835048214 634333971 /nfs/dbraw/zinc/33/39/71/634333971.db2.gz NUGVKHCNGVWUIQ-XTKXOIQPSA-N 1 1 288.435 3.001 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC23CCOCC3)cc1 ZINC000835049744 634336248 /nfs/dbraw/zinc/33/62/48/634336248.db2.gz RWDIEBCQUXGMQQ-ARJAWSKDSA-N 1 1 286.419 3.021 20 10 CGCDMO CC[C@@H]1C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CCCO1 ZINC000835051260 634337090 /nfs/dbraw/zinc/33/70/90/634337090.db2.gz IUSUZJPHXLHHNM-LZCIBIBXSA-N 1 1 288.435 3.267 20 10 CGCDMO CO[C@@]1(C)CCC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835054517 634338438 /nfs/dbraw/zinc/33/84/38/634338438.db2.gz QRQMNCCZRHVFLF-FZMUQLTDSA-N 1 1 288.435 3.267 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2c(C)cccc2O)cc1O ZINC000876632489 634872609 /nfs/dbraw/zinc/87/26/09/634872609.db2.gz FSDTUDXMFQSGBZ-UHFFFAOYSA-N 1 1 287.359 3.047 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000876746114 634890406 /nfs/dbraw/zinc/89/04/06/634890406.db2.gz SITCDRDVYYLTJO-UHFFFAOYSA-N 1 1 275.392 3.093 20 10 CGCDMO COCC[C@@H]1CCCC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000877396939 635034708 /nfs/dbraw/zinc/03/47/08/635034708.db2.gz DRFITLKBPOKHOX-HNNXBMFYSA-N 1 1 277.408 3.339 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2cnc(C(C)C)nc2)c(O)c1 ZINC000877499420 635062496 /nfs/dbraw/zinc/06/24/96/635062496.db2.gz PDQPAYPWNXNSJR-UHFFFAOYSA-N 1 1 285.391 3.246 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c(O)c1 ZINC000877524037 635071488 /nfs/dbraw/zinc/07/14/88/635071488.db2.gz QJEYCNVVVDRCNT-MRXNPFEDSA-N 1 1 268.360 3.433 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000877529146 635073966 /nfs/dbraw/zinc/07/39/66/635073966.db2.gz UOHDLYFPQQLSNO-HOTGVXAUSA-N 1 1 289.419 3.339 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1ccc(F)cc1O ZINC000840895237 635078331 /nfs/dbraw/zinc/07/83/31/635078331.db2.gz ZGUIQMNIYBTAKB-ZLDLUXBVSA-N 1 1 281.371 3.123 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000877542144 635081090 /nfs/dbraw/zinc/08/10/90/635081090.db2.gz WNBZUWUUQQPQAS-SJORKVTESA-N 1 1 287.403 3.234 20 10 CGCDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2c(O)cc(C)cc2Cl)C1 ZINC000840916917 635082587 /nfs/dbraw/zinc/08/25/87/635082587.db2.gz NUUQOSSKFSYQLM-ZDUSSCGKSA-N 1 1 296.842 3.128 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)CCOC(C)(C)C ZINC000840918301 635082746 /nfs/dbraw/zinc/08/27/46/635082746.db2.gz ZIRBYIQIKNCXJS-UHFFFAOYSA-N 1 1 278.440 3.308 20 10 CGCDMO COC[C@@]1(C)CC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840950633 635090638 /nfs/dbraw/zinc/09/06/38/635090638.db2.gz MDIIPUHRGDOPEQ-HNNXBMFYSA-N 1 1 283.799 3.212 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000840951305 635091026 /nfs/dbraw/zinc/09/10/26/635091026.db2.gz VYGHQWMJFYIBMY-KRWDZBQOSA-N 1 1 290.451 3.044 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+](C(C)C)[C@H]1CCOC1 ZINC000840948768 635091044 /nfs/dbraw/zinc/09/10/44/635091044.db2.gz XMPRUMOUUIUQOR-KRWDZBQOSA-N 1 1 276.424 3.060 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]2C2CC2)c(Cl)c1 ZINC000840950790 635091559 /nfs/dbraw/zinc/09/15/59/635091559.db2.gz NTZQIYQYXMLGAT-ZDUSSCGKSA-N 1 1 251.757 3.338 20 10 CGCDMO CC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H](O)C(C)C ZINC000840968274 635096181 /nfs/dbraw/zinc/09/61/81/635096181.db2.gz PYTUAFRSHICSHB-GXTWGEPZSA-N 1 1 289.778 3.070 20 10 CGCDMO CC[N@@H+](Cc1occc1C)Cc1cc(OC)ccc1O ZINC000840969992 635096655 /nfs/dbraw/zinc/09/66/55/635096655.db2.gz NCAOKRJSRVECDA-UHFFFAOYSA-N 1 1 275.348 3.324 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)c1O ZINC000877740505 635175972 /nfs/dbraw/zinc/17/59/72/635175972.db2.gz VUHCHMPTISFJQB-CABCVRRESA-N 1 1 277.433 3.140 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)c1O ZINC000841690113 635212393 /nfs/dbraw/zinc/21/23/93/635212393.db2.gz MBGCKHCKOMFNHT-RWMBFGLXSA-N 1 1 263.381 3.186 20 10 CGCDMO C[C@H]([NH2+]CCCC(C)(C)CO)c1ccc(Cl)cc1O ZINC000841753983 635227430 /nfs/dbraw/zinc/22/74/30/635227430.db2.gz GXZMQBPKEMTGEC-NSHDSACASA-N 1 1 285.815 3.495 20 10 CGCDMO COCCCC[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000841894079 635249110 /nfs/dbraw/zinc/24/91/10/635249110.db2.gz MQEMTUFVBMNTFW-BQYQJAHWSA-N 1 1 276.424 3.124 20 10 CGCDMO C[N@@H+](CCCC1CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000877923606 635272018 /nfs/dbraw/zinc/27/20/18/635272018.db2.gz SADZPLVBQSRNGR-UHFFFAOYSA-N 1 1 288.435 3.145 20 10 CGCDMO CC[NH2+]CC1CC[NH+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000843055877 635553716 /nfs/dbraw/zinc/55/37/16/635553716.db2.gz RNXAGRIUIHJUIC-UHFFFAOYSA-N 1 1 296.842 3.176 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC000843419629 635665399 /nfs/dbraw/zinc/66/53/99/635665399.db2.gz MMMQAOSSEAXHMG-HNNXBMFYSA-N 1 1 298.386 3.175 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)c1 ZINC000843431832 635673403 /nfs/dbraw/zinc/67/34/03/635673403.db2.gz JVKDQAXEGWKCHU-AWEZNQCLSA-N 1 1 275.392 3.092 20 10 CGCDMO CC(C)c1noc([C@H](C)[NH2+][C@H](C)c2ccccc2O)n1 ZINC000879649686 635826665 /nfs/dbraw/zinc/82/66/65/635826665.db2.gz SLGBQFWZPLLJMY-MNOVXSKESA-N 1 1 275.352 3.310 20 10 CGCDMO C[C@H]([NH2+]Cc1nc2c(o1)CCCC2)c1ccccc1O ZINC000879649710 635826840 /nfs/dbraw/zinc/82/68/40/635826840.db2.gz CUTJEMIXAQHBBM-NSHDSACASA-N 1 1 272.348 3.110 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(C)cc(C)c2O)[C@@H](C)CO1 ZINC000844732673 635957664 /nfs/dbraw/zinc/95/76/64/635957664.db2.gz QWYWJUZHUZKIOC-ZFWWWQNUSA-N 1 1 263.381 3.008 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CNc2ccccc2C1)c1ccc(F)cc1O ZINC000844921804 635984153 /nfs/dbraw/zinc/98/41/53/635984153.db2.gz UZIWUFORLOJYEN-BXUZGUMPSA-N 1 1 286.350 3.219 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC(C)(C)OC[C@H]2CC)c(O)c1 ZINC000846028058 636132028 /nfs/dbraw/zinc/13/20/28/636132028.db2.gz VMUAJHBWLLFWGY-CQSZACIVSA-N 1 1 293.407 3.180 20 10 CGCDMO Cc1cc(C[N@@H+]2CCC(=O)CC23CCC3)ccc1N(C)C ZINC000847003668 636306577 /nfs/dbraw/zinc/30/65/77/636306577.db2.gz UARUZASEPMVYPF-UHFFFAOYSA-N 1 1 286.419 3.149 20 10 CGCDMO Cc1cc(C[N@H+]2CCC(=O)CC23CCC3)ccc1N(C)C ZINC000847003668 636306580 /nfs/dbraw/zinc/30/65/80/636306580.db2.gz UARUZASEPMVYPF-UHFFFAOYSA-N 1 1 286.419 3.149 20 10 CGCDMO C[N@@H+](CCC1CCOCC1)Cc1cc(Cl)ccc1O ZINC000129650257 636330715 /nfs/dbraw/zinc/33/07/15/636330715.db2.gz AUVBZRVUEYCOOX-UHFFFAOYSA-N 1 1 283.799 3.294 20 10 CGCDMO CCC[N@@H+](CCOC(C)C)Cc1ccccc1O ZINC000130737109 636505019 /nfs/dbraw/zinc/50/50/19/636505019.db2.gz GVEMOGLDIKCYJN-UHFFFAOYSA-N 1 1 251.370 3.029 20 10 CGCDMO Cc1csc([C@H](C)C[NH2+]Cc2cc(F)cc(F)c2O)n1 ZINC000883088204 636537397 /nfs/dbraw/zinc/53/73/97/636537397.db2.gz WWOXDOUAXAQPTL-MRVPVSSYSA-N 1 1 298.358 3.329 20 10 CGCDMO C[C@@H]1C[C@@H](CC[NH2+]Cc2cc(F)cc(F)c2O)C[C@H](C)O1 ZINC000883113241 636544374 /nfs/dbraw/zinc/54/43/74/636544374.db2.gz NMMVGYGIFVFVQY-ZSBIGDGJSA-N 1 1 299.361 3.354 20 10 CGCDMO CCc1cccc(C[N@@H+](CCCO)CC(C)(C)C)c1O ZINC000848886939 636674621 /nfs/dbraw/zinc/67/46/21/636674621.db2.gz YGXURMOOPLERFW-UHFFFAOYSA-N 1 1 279.424 3.185 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1O ZINC000848889429 636675875 /nfs/dbraw/zinc/67/58/75/636675875.db2.gz KRARLEKAHDGCDD-MRXNPFEDSA-N 1 1 289.419 3.203 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@H](c3nccn3C)C2)c1O ZINC000848907824 636684773 /nfs/dbraw/zinc/68/47/73/636684773.db2.gz UGSVEAHJNGTOSV-INIZCTEOSA-N 1 1 299.418 3.068 20 10 CGCDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1cccc(CC)c1O ZINC000848907740 636685551 /nfs/dbraw/zinc/68/55/51/636685551.db2.gz RQKROADXVXCTGB-KRWDZBQOSA-N 1 1 277.408 3.082 20 10 CGCDMO C[C@@H](O)C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000848928796 636699874 /nfs/dbraw/zinc/69/98/74/636699874.db2.gz NVISHCSZQKGGLU-OAHLLOKOSA-N 1 1 288.435 3.022 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1ccc(F)cc1O ZINC000883368952 636709816 /nfs/dbraw/zinc/70/98/16/636709816.db2.gz GAQAXZSPIGKMKC-LYRGGWFBSA-N 1 1 279.355 3.284 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000132468327 636809314 /nfs/dbraw/zinc/80/93/14/636809314.db2.gz WNXGJPFCBSRLKF-JTQLQIEISA-N 1 1 284.197 3.387 20 10 CGCDMO C[C@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000132468327 636809321 /nfs/dbraw/zinc/80/93/21/636809321.db2.gz WNXGJPFCBSRLKF-JTQLQIEISA-N 1 1 284.197 3.387 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000132468327 636809328 /nfs/dbraw/zinc/80/93/28/636809328.db2.gz WNXGJPFCBSRLKF-JTQLQIEISA-N 1 1 284.197 3.387 20 10 CGCDMO COc1cccc(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)c1O ZINC000132745839 636834545 /nfs/dbraw/zinc/83/45/45/636834545.db2.gz GQIMMXLXVFUHAN-TZMCWYRMSA-N 1 1 263.381 3.411 20 10 CGCDMO CCOc1ccc(NCc2cc(C)ccc2O)[nH+]c1C ZINC000850410775 637052463 /nfs/dbraw/zinc/05/24/63/637052463.db2.gz CDFUNOPJSGSJFO-UHFFFAOYSA-N 1 1 272.348 3.415 20 10 CGCDMO C[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1ccc(F)cc1O ZINC000850526061 637105522 /nfs/dbraw/zinc/10/55/22/637105522.db2.gz AAAOBMUNSCPRGZ-QXKQMHMISA-N 1 1 287.334 3.360 20 10 CGCDMO CC[C@H]([NH2+]CC1SCCS1)c1ccc(F)cc1O ZINC000850559583 637123147 /nfs/dbraw/zinc/12/31/47/637123147.db2.gz DZUIAQCFYBALDQ-NSHDSACASA-N 1 1 287.425 3.378 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccc(F)cc1O ZINC000850570128 637127762 /nfs/dbraw/zinc/12/77/62/637127762.db2.gz DSTMJJWBMOMGLK-BXUZGUMPSA-N 1 1 281.371 3.387 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@@H]1CCC2(CCC2)CO1 ZINC000886065111 637397542 /nfs/dbraw/zinc/39/75/42/637397542.db2.gz PVEZRLHXPXYMOD-HNNXBMFYSA-N 1 1 275.392 3.173 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)CN1CCCCC1)c1c(O)cccc1F ZINC000886501757 637543121 /nfs/dbraw/zinc/54/31/21/637543121.db2.gz XKOAZJGFFAHHKI-QWHCGFSZSA-N 1 1 280.387 3.056 20 10 CGCDMO CC[C@H](C[NH2+][C@H](C)c1c(O)cccc1F)N1CCCC1 ZINC000886501552 637543587 /nfs/dbraw/zinc/54/35/87/637543587.db2.gz OCXRNTSDOKXMCS-CHWSQXEVSA-N 1 1 280.387 3.056 20 10 CGCDMO C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1c(O)cccc1F ZINC000886512642 637547904 /nfs/dbraw/zinc/54/79/04/637547904.db2.gz JYDCSFKGNGSZMX-BONVTDFDSA-N 1 1 293.313 3.055 20 10 CGCDMO Cc1nc(C)c(C[NH2+][C@H](C)c2c(O)cccc2F)s1 ZINC000886532232 637556271 /nfs/dbraw/zinc/55/62/71/637556271.db2.gz GHGWESNBOBQEMF-SECBINFHSA-N 1 1 280.368 3.455 20 10 CGCDMO C[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1c(O)cccc1F ZINC000886536649 637561511 /nfs/dbraw/zinc/56/15/11/637561511.db2.gz MKXVZVBIIOWVLH-HZUKXOBISA-N 1 1 281.371 3.123 20 10 CGCDMO C[C@@H]([NH2+]CC1(CO)CCCCC1)c1c(O)cccc1F ZINC000886550122 637576578 /nfs/dbraw/zinc/57/65/78/637576578.db2.gz SMHQWHZIRYHQMK-GFCCVEGCSA-N 1 1 281.371 3.125 20 10 CGCDMO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1c(O)cccc1F ZINC000886607414 637601879 /nfs/dbraw/zinc/60/18/79/637601879.db2.gz RBLQNKYBUAZDOJ-OSMZGAPFSA-N 1 1 267.344 3.140 20 10 CGCDMO CCOCC(C)(C)C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886611062 637604286 /nfs/dbraw/zinc/60/42/86/637604286.db2.gz RNAMKPCALJMXCW-NSHDSACASA-N 1 1 269.360 3.245 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1COCc2ccccc21)c1c(O)cccc1F ZINC000886626707 637615767 /nfs/dbraw/zinc/61/57/67/637615767.db2.gz JCTRYJMQKYYCEG-IAQYHMDHSA-N 1 1 287.334 3.453 20 10 CGCDMO C[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1c(O)cccc1F ZINC000886631664 637619941 /nfs/dbraw/zinc/61/99/41/637619941.db2.gz SYYZLXRFJKWKMC-APPDUMDISA-N 1 1 293.382 3.387 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1c(O)cccc1F ZINC000886638561 637622598 /nfs/dbraw/zinc/62/25/98/637622598.db2.gz WZXSCVSAYKSIMB-IJLUTSLNSA-N 1 1 267.344 3.140 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC3(COC3)C2)cc1C(C)C ZINC000853594258 637871340 /nfs/dbraw/zinc/87/13/40/637871340.db2.gz CMDBBFBKGUWBAE-UHFFFAOYSA-N 1 1 275.392 3.046 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCc3nccnc3C2)cc1C(C)C ZINC000853603316 637873365 /nfs/dbraw/zinc/87/33/65/637873365.db2.gz OUXXLJUMHCMFHX-UHFFFAOYSA-N 1 1 297.402 3.172 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCc3nccnc3C2)cc1C(C)C ZINC000853603316 637873370 /nfs/dbraw/zinc/87/33/70/637873370.db2.gz OUXXLJUMHCMFHX-UHFFFAOYSA-N 1 1 297.402 3.172 20 10 CGCDMO CC[C@H](c1ccccc1O)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925753439 638596011 /nfs/dbraw/zinc/59/60/11/638596011.db2.gz HKATVWFJLMAQHQ-MRXNPFEDSA-N 1 1 298.386 3.320 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(F)cc(F)c1[O-] ZINC000858490523 638741259 /nfs/dbraw/zinc/74/12/59/638741259.db2.gz JTMHVVYMYBLHBN-NWDGAFQWSA-N 1 1 298.377 3.053 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(Cl)ccc1[O-] ZINC000858490443 638741459 /nfs/dbraw/zinc/74/14/59/638741459.db2.gz HJQOQOXKQHKBRV-STQMWFEESA-N 1 1 296.842 3.428 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(Cl)ccc1[O-] ZINC000858490443 638741466 /nfs/dbraw/zinc/74/14/66/638741466.db2.gz HJQOQOXKQHKBRV-STQMWFEESA-N 1 1 296.842 3.428 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(F)cc1O ZINC000926937743 638827255 /nfs/dbraw/zinc/82/72/55/638827255.db2.gz YFBJOPKZAZYAKY-CQJJVWNLSA-N 1 1 291.366 3.163 20 10 CGCDMO C[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccc(N(C)C)cc1 ZINC000927113938 638843702 /nfs/dbraw/zinc/84/37/02/638843702.db2.gz PVIWRPBNSZAQPH-CYBMUJFWSA-N 1 1 298.434 3.214 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccnc(F)c1 ZINC000859067295 639070107 /nfs/dbraw/zinc/07/01/07/639070107.db2.gz OCHJCXKVTVDJOT-UHFFFAOYSA-N 1 1 287.382 3.309 20 10 CGCDMO C[C@@H](NCC[NH+]1CCCCCC1)c1ccc(N(C)C)cc1 ZINC000040767833 639896475 /nfs/dbraw/zinc/89/64/75/639896475.db2.gz SFGRSLRIMGQJNW-MRXNPFEDSA-N 1 1 289.467 3.279 20 10 CGCDMO C[C@@H]1CSCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000192181605 640356234 /nfs/dbraw/zinc/35/62/34/640356234.db2.gz XWKUHHFGPGBTND-LBPRGKRZSA-N 1 1 277.433 3.066 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000246091916 640657178 /nfs/dbraw/zinc/65/71/78/640657178.db2.gz CLMPPNWQURMGDB-PBHICJAKSA-N 1 1 299.418 3.289 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1C ZINC000246496326 640677715 /nfs/dbraw/zinc/67/77/15/640677715.db2.gz HIYFDOYGQUDYHW-DYVFJYSZSA-N 1 1 299.418 3.289 20 10 CGCDMO C[C@H]1OCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H]1C ZINC000093417770 640770716 /nfs/dbraw/zinc/77/07/16/640770716.db2.gz ZFRLHTRQCZRKNS-HZPDHXFCSA-N 1 1 288.435 3.286 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCSC(C)(C)C2)cc1 ZINC000093504237 640773892 /nfs/dbraw/zinc/77/38/92/640773892.db2.gz BVJIACXHSRSYSY-UHFFFAOYSA-N 1 1 264.438 3.080 20 10 CGCDMO CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)c1ccccc1 ZINC001251993814 805965879 /nfs/dbraw/zinc/96/58/79/805965879.db2.gz SYDBFJCABHYMKQ-LJQANCHMSA-N 1 1 298.430 3.308 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)[C@@H](C)CO1 ZINC000026665256 798841622 /nfs/dbraw/zinc/84/16/22/798841622.db2.gz ARRGNVDPPDXZSA-QWHCGFSZSA-N 1 1 271.360 3.155 20 10 CGCDMO CC[C@@H](C)[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000037323212 798866617 /nfs/dbraw/zinc/86/66/17/798866617.db2.gz ZNKZUOQSLRHQJL-SECBINFHSA-N 1 1 269.772 3.479 20 10 CGCDMO CC[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000037323212 798866619 /nfs/dbraw/zinc/86/66/19/798866619.db2.gz ZNKZUOQSLRHQJL-SECBINFHSA-N 1 1 269.772 3.479 20 10 CGCDMO CC[N@@H+](CCc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000124040761 798997131 /nfs/dbraw/zinc/99/71/31/798997131.db2.gz KDYLOCXESVICKE-UHFFFAOYSA-N 1 1 299.370 3.186 20 10 CGCDMO C[C@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1ccccc1O ZINC000179573607 799109932 /nfs/dbraw/zinc/10/99/32/799109932.db2.gz SRAZJPUROOUHSV-INIZCTEOSA-N 1 1 296.414 3.099 20 10 CGCDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccccc1O ZINC000179573607 799109937 /nfs/dbraw/zinc/10/99/37/799109937.db2.gz SRAZJPUROOUHSV-INIZCTEOSA-N 1 1 296.414 3.099 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccccc1O ZINC000179573607 799109942 /nfs/dbraw/zinc/10/99/42/799109942.db2.gz SRAZJPUROOUHSV-INIZCTEOSA-N 1 1 296.414 3.099 20 10 CGCDMO Oc1c(Br)cccc1C[NH+]1CCC(F)CC1 ZINC000689909666 799770519 /nfs/dbraw/zinc/77/05/19/799770519.db2.gz RFUOROYARQYLKR-UHFFFAOYSA-N 1 1 288.160 3.089 20 10 CGCDMO C[C@H](Cc1ccccn1)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000694009349 799819688 /nfs/dbraw/zinc/81/96/88/799819688.db2.gz ZHUHAIGKOSOHEY-VXGBXAGGSA-N 1 1 274.339 3.208 20 10 CGCDMO CC(C)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000694440915 799821534 /nfs/dbraw/zinc/82/15/34/799821534.db2.gz BRQCWXIWUDTWRD-LBPRGKRZSA-N 1 1 251.345 3.399 20 10 CGCDMO CCc1cccc(C[N@H+]2CCCC[C@H](COC)C2)c1O ZINC000696616229 799841858 /nfs/dbraw/zinc/84/18/58/799841858.db2.gz BEXKXICGCYOVTJ-AWEZNQCLSA-N 1 1 277.408 3.203 20 10 CGCDMO CC(C)(C[NH3+])C1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000714487065 800124101 /nfs/dbraw/zinc/12/41/01/800124101.db2.gz RABJFSHOKXMJIS-UHFFFAOYSA-N 1 1 296.842 3.243 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1O)[C@H]1CCCOC1 ZINC000724013657 800353768 /nfs/dbraw/zinc/35/37/68/800353768.db2.gz QZMONXRAJRZAQX-XUJVJEKNSA-N 1 1 281.371 3.387 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)[C@@H]1CC[C@H](SC)C1 ZINC001116444856 802352962 /nfs/dbraw/zinc/35/29/62/802352962.db2.gz BQLNLJNJGCGKQT-NEPJUHHUSA-N 1 1 281.421 3.117 20 10 CGCDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001116507825 802367971 /nfs/dbraw/zinc/36/79/71/802367971.db2.gz UYHUNSFGBAARAS-GOSISDBHSA-N 1 1 288.435 3.144 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)[C@@H](C)C1 ZINC001116908974 802427623 /nfs/dbraw/zinc/42/76/23/802427623.db2.gz MKWXFBOLPFWGNB-MAUKXSAKSA-N 1 1 288.435 3.286 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@H](C(C)C)C2)c(O)c1OC ZINC001119959646 802713941 /nfs/dbraw/zinc/71/39/41/802713941.db2.gz UYGBISSGBHAEGM-ZDUSSCGKSA-N 1 1 293.407 3.277 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1cc3ccccc3[nH]1)CC2 ZINC001137320023 803714201 /nfs/dbraw/zinc/71/42/01/803714201.db2.gz UXRJDBRBOOIUII-UHFFFAOYSA-N 1 1 278.355 3.432 20 10 CGCDMO Cc1cc(CN(C)[C@@H]2CC[N@@H+](C)C2)c(C)n1-c1ccccc1 ZINC001137857994 803786345 /nfs/dbraw/zinc/78/63/45/803786345.db2.gz RTNXXHQSSZADAA-LJQANCHMSA-N 1 1 297.446 3.230 20 10 CGCDMO Cc1cc(C[N@@H+](C)[C@@H]2CCN(C)C2)c(C)n1-c1ccccc1 ZINC001137857994 803786351 /nfs/dbraw/zinc/78/63/51/803786351.db2.gz RTNXXHQSSZADAA-LJQANCHMSA-N 1 1 297.446 3.230 20 10 CGCDMO Cc1cc(C[N@H+](C)[C@@H]2CCN(C)C2)c(C)n1-c1ccccc1 ZINC001137857994 803786353 /nfs/dbraw/zinc/78/63/53/803786353.db2.gz RTNXXHQSSZADAA-LJQANCHMSA-N 1 1 297.446 3.230 20 10 CGCDMO c1cc(N2CCCCC2)ccc1C[N@@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001138222325 803873797 /nfs/dbraw/zinc/87/37/97/803873797.db2.gz RVGUTVQQYKTNDU-QZTJIDSGSA-N 1 1 286.419 3.040 20 10 CGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001138222325 803873807 /nfs/dbraw/zinc/87/38/07/803873807.db2.gz RVGUTVQQYKTNDU-QZTJIDSGSA-N 1 1 286.419 3.040 20 10 CGCDMO Cc1c(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)c2ccccc2n1C ZINC001138252349 803879659 /nfs/dbraw/zinc/87/96/59/803879659.db2.gz CZONYFUMDRWKAV-UGSOOPFHSA-N 1 1 286.419 3.080 20 10 CGCDMO CC[C@H](C)[N@@H+](C)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138340153 803899214 /nfs/dbraw/zinc/89/92/14/803899214.db2.gz NCTDNAZOQMNQOM-ZDUSSCGKSA-N 1 1 288.435 3.321 20 10 CGCDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC001139672856 804248493 /nfs/dbraw/zinc/24/84/93/804248493.db2.gz JOVSQPJBAIMBOG-QGZVFWFLSA-N 1 1 290.451 3.450 20 10 CGCDMO CCN(CC)CC[N@H+](CC)Cc1ccc(N(C)C)c(C)c1 ZINC001139671822 804248718 /nfs/dbraw/zinc/24/87/18/804248718.db2.gz NHQQQOQCZZXSIY-UHFFFAOYSA-N 1 1 291.483 3.225 20 10 CGCDMO CCN(CC)CC[N@@H+](CC)Cc1ccc(N(C)C)c(C)c1 ZINC001139671822 804248726 /nfs/dbraw/zinc/24/87/26/804248726.db2.gz NHQQQOQCZZXSIY-UHFFFAOYSA-N 1 1 291.483 3.225 20 10 CGCDMO COc1ccc(CC[N@@H+](C)Cc2cc(F)ccc2O)cc1 ZINC001140055316 804362811 /nfs/dbraw/zinc/36/28/11/804362811.db2.gz RCPBMGFYWKPZKY-UHFFFAOYSA-N 1 1 289.350 3.214 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCc3ncsc3C2)c1O ZINC001140181585 804396083 /nfs/dbraw/zinc/39/60/83/804396083.db2.gz DKAXGZFUFQOVOK-UHFFFAOYSA-N 1 1 274.389 3.024 20 10 CGCDMO Cc1cc2c(cn1)C[N@H+](Cc1c(C)ccc(C)c1O)C2 ZINC001140184287 804397800 /nfs/dbraw/zinc/39/78/00/804397800.db2.gz QLQSRICWWNGROP-UHFFFAOYSA-N 1 1 268.360 3.228 20 10 CGCDMO Cc1cc2c(cn1)C[N@@H+](Cc1c(C)ccc(C)c1O)C2 ZINC001140184287 804397807 /nfs/dbraw/zinc/39/78/07/804397807.db2.gz QLQSRICWWNGROP-UHFFFAOYSA-N 1 1 268.360 3.228 20 10 CGCDMO C[C@@]1(CO)CCC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC001140338125 804418808 /nfs/dbraw/zinc/41/88/08/804418808.db2.gz VYEMWMXBXMUSSK-OAHLLOKOSA-N 1 1 283.799 3.030 20 10 CGCDMO Cc1ncccc1C[N@@H+](C)Cc1c(O)cccc1Cl ZINC001140341945 804420790 /nfs/dbraw/zinc/42/07/90/804420790.db2.gz LVQNMRJVHHFIAN-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO Cc1ncccc1C[N@H+](C)Cc1c(O)cccc1Cl ZINC001140341945 804420792 /nfs/dbraw/zinc/42/07/92/804420792.db2.gz LVQNMRJVHHFIAN-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO C[C@]1(F)CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140462891 804441274 /nfs/dbraw/zinc/44/12/74/804441274.db2.gz NKIGFRTUIPKLGT-ZDUSSCGKSA-N 1 1 257.736 3.370 20 10 CGCDMO C[C@]1(F)CCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140462891 804441277 /nfs/dbraw/zinc/44/12/77/804441277.db2.gz NKIGFRTUIPKLGT-ZDUSSCGKSA-N 1 1 257.736 3.370 20 10 CGCDMO C[C@@]1(CO)CCC[N@@H+](Cc2ccc(Cl)cc2O)CC1 ZINC001140462932 804441979 /nfs/dbraw/zinc/44/19/79/804441979.db2.gz OOHWWEBLMHMFDM-OAHLLOKOSA-N 1 1 283.799 3.030 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@](C)(F)CC2)c1 ZINC001140617106 804476303 /nfs/dbraw/zinc/47/63/03/804476303.db2.gz FEHMCKQFQSTION-HNNXBMFYSA-N 1 1 251.345 3.415 20 10 CGCDMO CCC(CC)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1F ZINC001140663491 804487523 /nfs/dbraw/zinc/48/75/23/804487523.db2.gz GPTQJEDXOZFWMF-UHFFFAOYSA-N 1 1 294.414 3.283 20 10 CGCDMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(O)c(C)c2O)no1 ZINC001140742159 804503521 /nfs/dbraw/zinc/50/35/21/804503521.db2.gz JCHCNZNKAWXAHK-CQSZACIVSA-N 1 1 288.347 3.040 20 10 CGCDMO Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(O)c(C)c2O)cn1 ZINC001140747503 804504221 /nfs/dbraw/zinc/50/42/21/804504221.db2.gz CCVWZUQQUYSXBD-INIZCTEOSA-N 1 1 298.386 3.447 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC(C)(C)C2)c(O)c1 ZINC001140855252 804533248 /nfs/dbraw/zinc/53/32/48/804533248.db2.gz UITGWEOQNRBMRK-UHFFFAOYSA-N 1 1 276.424 3.470 20 10 CGCDMO CCC[N@@H+](C)Cc1ccc(N(CC)CC)cc1O ZINC001140851148 804533463 /nfs/dbraw/zinc/53/34/63/804533463.db2.gz DKCHXUWTIYHKCO-UHFFFAOYSA-N 1 1 250.386 3.080 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1Cl)C1CC1 ZINC001140921840 804548968 /nfs/dbraw/zinc/54/89/68/804548968.db2.gz RYYIGPVCMHVAHY-UHFFFAOYSA-N 1 1 252.789 3.390 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1c(N)cccc1F ZINC001140877412 804541215 /nfs/dbraw/zinc/54/12/15/804541215.db2.gz NBDCXIMFWTYUGP-UHFFFAOYSA-N 1 1 274.339 3.136 20 10 CGCDMO CC(C)[C@@H]1COCC[N@@H+]1Cc1ccc(N(C)C)cc1Cl ZINC001140925722 804550717 /nfs/dbraw/zinc/55/07/17/804550717.db2.gz VGJAFWSVPPERRJ-INIZCTEOSA-N 1 1 296.842 3.263 20 10 CGCDMO CC(C)[C@@H]1COCC[N@H+]1Cc1ccc(N(C)C)cc1Cl ZINC001140925722 804550722 /nfs/dbraw/zinc/55/07/22/804550722.db2.gz VGJAFWSVPPERRJ-INIZCTEOSA-N 1 1 296.842 3.263 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140925840 804551093 /nfs/dbraw/zinc/55/10/93/804551093.db2.gz WQDZUDWURBAHCD-HNNXBMFYSA-N 1 1 296.842 3.407 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@H](Oc3cccnc3)C2)c(O)c1 ZINC001140949378 804555816 /nfs/dbraw/zinc/55/58/16/804555816.db2.gz ALWYOEDQARIIDL-KRWDZBQOSA-N 1 1 298.386 3.139 20 10 CGCDMO Cc1nc2c(s1)C[N@@H+](Cc1ccc(C)cc1O)CC2 ZINC001140950727 804557461 /nfs/dbraw/zinc/55/74/61/804557461.db2.gz FTYODRRQYMBQMI-UHFFFAOYSA-N 1 1 274.389 3.024 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCCC[C@](C)(F)C2)c(OC)c1 ZINC001141032004 804574971 /nfs/dbraw/zinc/57/49/71/804574971.db2.gz PUOSFAAFYFEXKI-INIZCTEOSA-N 1 1 297.370 3.124 20 10 CGCDMO CN1CCOc2cc(C[N@H+]3CCCCC34CC4)ccc21 ZINC001141144180 804596653 /nfs/dbraw/zinc/59/66/53/804596653.db2.gz CRRFOFCXXCEJIW-UHFFFAOYSA-N 1 1 272.392 3.034 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC2(CCCC2)C1 ZINC001142525108 804731771 /nfs/dbraw/zinc/73/17/71/804731771.db2.gz XSHNWASGFHUCFH-UHFFFAOYSA-N 1 1 267.319 3.437 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC2(CCCC2)C1 ZINC001142525108 804731773 /nfs/dbraw/zinc/73/17/73/804731773.db2.gz XSHNWASGFHUCFH-UHFFFAOYSA-N 1 1 267.319 3.437 20 10 CGCDMO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143105117 804801662 /nfs/dbraw/zinc/80/16/62/804801662.db2.gz JXMGEJVZRJLZFU-UONOGXRCSA-N 1 1 290.451 3.214 20 10 CGCDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1cccc(C(C)(C)C)c1O ZINC001143105117 804801663 /nfs/dbraw/zinc/80/16/63/804801663.db2.gz JXMGEJVZRJLZFU-UONOGXRCSA-N 1 1 290.451 3.214 20 10 CGCDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cccc(C(C)(C)C)c1O ZINC001143105117 804801670 /nfs/dbraw/zinc/80/16/70/804801670.db2.gz JXMGEJVZRJLZFU-UONOGXRCSA-N 1 1 290.451 3.214 20 10 CGCDMO Cc1c(O)cccc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001144122209 804939361 /nfs/dbraw/zinc/93/93/61/804939361.db2.gz YGFXZWAOBGXZJW-UHFFFAOYSA-N 1 1 284.403 3.399 20 10 CGCDMO CCC(CC)[N@@H+](CC)Cc1ccc(CC(=O)OC)cc1O ZINC001249207379 805113723 /nfs/dbraw/zinc/11/37/23/805113723.db2.gz FDFOPPYSKXOJRA-UHFFFAOYSA-N 1 1 293.407 3.118 20 10 CGCDMO CCC[N@@H+](Cc1csnc1OC)Cc1ccccc1O ZINC001167521830 807202812 /nfs/dbraw/zinc/20/28/12/807202812.db2.gz KHUGGNIXHAUGPP-UHFFFAOYSA-N 1 1 292.404 3.270 20 10 CGCDMO C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001168128454 807316538 /nfs/dbraw/zinc/31/65/38/807316538.db2.gz QQJHGKPDPQCXTR-MAUKXSAKSA-N 1 1 288.435 3.286 20 10 CGCDMO CC[C@@H]1C[C@H]([N@@H+](CC)Cc2ccccc2O)CCO1 ZINC001170235220 807799442 /nfs/dbraw/zinc/79/94/42/807799442.db2.gz KUYJVHGPZPPKIU-HUUCEWRRSA-N 1 1 263.381 3.172 20 10 CGCDMO Nc1ccc(NCc2cc3ccccc3cc2O)c[nH+]1 ZINC001171404527 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ZINC001238058452 819921296 /nfs/dbraw/zinc/92/12/96/819921296.db2.gz SBZMBPKXPUWORG-HUUCEWRRSA-N 1 1 291.366 3.173 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)c1O ZINC001238058452 819921304 /nfs/dbraw/zinc/92/13/04/819921304.db2.gz SBZMBPKXPUWORG-HUUCEWRRSA-N 1 1 291.366 3.173 20 10 CGCDMO Cn1cc2cccc(-c3[nH+]ccc4c3ccn4C)c2n1 ZINC001241466237 821863583 /nfs/dbraw/zinc/86/35/83/821863583.db2.gz ZAGJOJCVYLUOPD-UHFFFAOYSA-N 1 1 262.316 3.127 20 10 CGCDMO CN(C)c1ccc(C2=CCC[N@H+](C)C2)c(C(F)(F)F)c1 ZINC001241570666 821956031 /nfs/dbraw/zinc/95/60/31/821956031.db2.gz NMTRBLYSIZISBY-UHFFFAOYSA-N 1 1 284.325 3.490 20 10 CGCDMO CN(C)c1ccc(C2=CCC[N@@H+](C)C2)c(C(F)(F)F)c1 ZINC001241570666 821956037 /nfs/dbraw/zinc/95/60/37/821956037.db2.gz NMTRBLYSIZISBY-UHFFFAOYSA-N 1 1 284.325 3.490 20 10 CGCDMO C[N@H+]1CCC=C(c2ccc(N3CCCCC3)cc2)C1 ZINC001241570469 821956050 /nfs/dbraw/zinc/95/60/50/821956050.db2.gz JMQKUSJEOVNMGU-UHFFFAOYSA-N 1 1 256.393 3.396 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC001474333934 937851847 /nfs/dbraw/zinc/85/18/47/937851847.db2.gz GPYAGXFKOOOAFV-CHWSQXEVSA-N 1 1 263.381 3.125 20 10 CGCDMO Cc1cc(O)c(CNCC[N@H+](C)C2CCCC2)c(Cl)c1 ZINC001200314031 937063262 /nfs/dbraw/zinc/06/32/62/937063262.db2.gz LVOYCNCBQNPHNS-UHFFFAOYSA-N 1 1 296.842 3.318 20 10 CGCDMO Cc1cc(O)c(C[NH2+]CCN(C)C2CCCC2)c(Cl)c1 ZINC001200314031 937063264 /nfs/dbraw/zinc/06/32/64/937063264.db2.gz LVOYCNCBQNPHNS-UHFFFAOYSA-N 1 1 296.842 3.318 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@](C)(CF)C2)c1O ZINC001140178327 931957114 /nfs/dbraw/zinc/95/71/14/931957114.db2.gz IGBLURLNDRSQBI-OAHLLOKOSA-N 1 1 251.345 3.191 20 10 CGCDMO C[N@@H+](CCc1ccccc1)Cc1cc(F)ccc1O ZINC000179912828 932016320 /nfs/dbraw/zinc/01/63/20/932016320.db2.gz BAWSYBOEILKGHQ-UHFFFAOYSA-N 1 1 259.324 3.206 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC001461896272 937604281 /nfs/dbraw/zinc/60/42/81/937604281.db2.gz DDWGUGUORZUNLW-CYBMUJFWSA-N 1 1 251.757 3.420 20 10 CGCDMO C[N@@H+](CCC1CCOCC1)Cc1ccc(Cl)cc1O ZINC001461931878 937607686 /nfs/dbraw/zinc/60/76/86/937607686.db2.gz BINQOGIUEBXDKI-UHFFFAOYSA-N 1 1 283.799 3.294 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)CC1(C)C ZINC001462254764 937627790 /nfs/dbraw/zinc/62/77/90/937627790.db2.gz JLJCKFVGXZBXOA-AWEZNQCLSA-N 1 1 283.799 3.293 20 10 CGCDMO CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1cc(F)c(F)cc1O ZINC001462333273 937633102 /nfs/dbraw/zinc/63/31/02/937633102.db2.gz MKPXSGCPLDEVQE-NOZJJQNGSA-N 1 1 255.308 3.195 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CC[C@H](CCCO)C2)c1 ZINC001462337652 937633957 /nfs/dbraw/zinc/63/39/57/937633957.db2.gz MVZNXAKZDCLYSU-AWEZNQCLSA-N 1 1 277.408 3.110 20 10 CGCDMO CCC(C)(C)OC1C[NH+](Cc2ccc(C)cc2O)C1 ZINC001462440810 937641272 /nfs/dbraw/zinc/64/12/72/937641272.db2.gz LTXFEIKEZHETSJ-UHFFFAOYSA-N 1 1 263.381 3.090 20 10 CGCDMO C[C@]12C[N@H+](Cc3cccc(F)c3O)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001462617659 937654491 /nfs/dbraw/zinc/65/44/91/937654491.db2.gz KHVXJBHOBZZWCP-XZBIERFOSA-N 1 1 273.351 3.175 20 10 CGCDMO C[C@]12C[N@@H+](Cc3cccc(F)c3O)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001462617659 937654493 /nfs/dbraw/zinc/65/44/93/937654493.db2.gz KHVXJBHOBZZWCP-XZBIERFOSA-N 1 1 273.351 3.175 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](N3CCCC3)C2)c1 ZINC001308596542 933139977 /nfs/dbraw/zinc/13/99/77/933139977.db2.gz USTXLWMVUYKNCV-QGZVFWFLSA-N 1 1 288.435 3.186 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CC[C@@H](N3CCCC3)C2)c1 ZINC001308596542 933139978 /nfs/dbraw/zinc/13/99/78/933139978.db2.gz USTXLWMVUYKNCV-QGZVFWFLSA-N 1 1 288.435 3.186 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@@H+](C)[C@@H](CO)C(C)(C)C)c1 ZINC001308622062 933144731 /nfs/dbraw/zinc/14/47/31/933144731.db2.gz YUNUCRLXXIDTFM-INIZCTEOSA-N 1 1 279.424 3.354 20 10 CGCDMO CO[C@H]1C[C@H]([N@H+](C)Cc2cc(F)c(F)cc2O)C12CCC2 ZINC001308763946 933172300 /nfs/dbraw/zinc/17/23/00/933172300.db2.gz CIPFROYXBWVTJN-GJZGRUSLSA-N 1 1 297.345 3.060 20 10 CGCDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)c(F)cc2O)C12CCC2 ZINC001308763946 933172303 /nfs/dbraw/zinc/17/23/03/933172303.db2.gz CIPFROYXBWVTJN-GJZGRUSLSA-N 1 1 297.345 3.060 20 10 CGCDMO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(N2CCCC2)cc1 ZINC001320494508 934055442 /nfs/dbraw/zinc/05/54/42/934055442.db2.gz RXFONTGLKFSQOP-UHFFFAOYSA-N 1 1 298.434 3.042 20 10 CGCDMO CC[C@]1(C)C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001321703238 934204975 /nfs/dbraw/zinc/20/49/75/934204975.db2.gz VVEQJSIXNFZDFD-GOSISDBHSA-N 1 1 288.435 3.288 20 10 CGCDMO c1[nH+]c2c(n1Cc1ccc(N3CCCC3)cc1)CCCC2 ZINC001330099611 935269341 /nfs/dbraw/zinc/26/93/41/935269341.db2.gz QCQCDNKHSVITKS-UHFFFAOYSA-N 1 1 281.403 3.410 20 10 CGCDMO C[N@@H+](CCCF)Cc1cc(C(C)(C)C)cc(O)c1O ZINC001331081992 935348828 /nfs/dbraw/zinc/34/88/28/935348828.db2.gz YKHVAWNKZTWQLR-UHFFFAOYSA-N 1 1 269.360 3.187 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+](C)Cc2ccns2)c1 ZINC001333322095 935525995 /nfs/dbraw/zinc/52/59/95/935525995.db2.gz AUEWSLDULXGXIZ-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001333587917 935550515 /nfs/dbraw/zinc/55/05/15/935550515.db2.gz LVOPRPCVCLTFNC-MXWKQRLJSA-N 1 1 289.272 3.194 20 10 CGCDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(N)cc2)C1 ZINC001334774151 936112681 /nfs/dbraw/zinc/11/26/81/936112681.db2.gz DVPHIOAREBBFQP-GUYCJALGSA-N 1 1 267.376 3.247 20 10 CGCDMO Nc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1 ZINC001335284632 936137584 /nfs/dbraw/zinc/13/75/84/936137584.db2.gz FVRKWEWGLFNZDG-LSDHHAIUSA-N 1 1 262.422 3.129 20 10 CGCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3nc[nH]c3c2)c1 ZINC001474196208 937843795 /nfs/dbraw/zinc/84/37/95/937843795.db2.gz NRRWXRNNQUPVLL-LLVKDONJSA-N 1 1 297.358 3.128 20 10 CGCDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001474369536 937855545 /nfs/dbraw/zinc/85/55/45/937855545.db2.gz MNPIWEDAZZRZJP-ZJUUUORDSA-N 1 1 271.813 3.371 20 10 CGCDMO C[C@H](CC(F)(F)F)[NH2+]Cc1cc(F)c(F)cc1O ZINC001474422546 937858834 /nfs/dbraw/zinc/85/88/34/937858834.db2.gz LSOKICAFNZXURB-ZCFIWIBFSA-N 1 1 269.213 3.101 20 10 CGCDMO CC(C)OC1CCC([NH2+]Cc2cc(F)c(F)cc2O)CC1 ZINC001474638211 937872053 /nfs/dbraw/zinc/87/20/53/937872053.db2.gz COBLRDWUNAVQRZ-UHFFFAOYSA-N 1 1 299.361 3.496 20 10 CGCDMO Cc1cccc(CNc2ccc3c(c2)[nH+]cn3C)c1 ZINC001560378983 938256050 /nfs/dbraw/zinc/25/60/50/938256050.db2.gz FFLBIKSPBAHZLN-UHFFFAOYSA-N 1 1 251.333 3.494 20 10 CGCDMO CC[C@@H](C)N1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC001560834308 938278352 /nfs/dbraw/zinc/27/83/52/938278352.db2.gz JXOQVJSIYXYZLP-OAHLLOKOSA-N 1 1 298.430 3.462 20 10 CGCDMO CC[C@@H](C)[N@@H+](CCO)Cc1cc(C(C)C)ccc1O ZINC001560835660 938278744 /nfs/dbraw/zinc/27/87/44/938278744.db2.gz VNIGFFNGPVPUEA-CYBMUJFWSA-N 1 1 265.397 3.108 20 10 CGCDMO CCO[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2F)C12CCCC2 ZINC001561016026 938289712 /nfs/dbraw/zinc/28/97/12/938289712.db2.gz MVWATKNKCBLCIV-JKSUJKDBSA-N 1 1 293.382 3.359 20 10 CGCDMO C[C@@]1(c2ccccc2)C[N@@H+](Cc2ccc(N)cc2)CCO1 ZINC001576561352 962469072 /nfs/dbraw/zinc/46/90/72/962469072.db2.gz KLLWIPUKLOJKDD-SFHVURJKSA-N 1 1 282.387 3.016 20 10 CGCDMO COC1CCC([N@@H+](C)Cc2cc(C)ccc2O)CC1 ZINC000093415126 345877455 /nfs/dbraw/zinc/87/74/55/345877455.db2.gz GJJWZGYIQHUPCJ-UHFFFAOYSA-N 1 1 263.381 3.090 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000179555007 346253263 /nfs/dbraw/zinc/25/32/63/346253263.db2.gz ZXXSGTOIESTTDH-UHFFFAOYSA-N 1 1 278.355 3.432 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000076266304 369935265 /nfs/dbraw/zinc/93/52/65/369935265.db2.gz FUQIBRCSAOZQKK-AWEZNQCLSA-N 1 1 271.360 3.156 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cccc(Cl)c1[O-] ZINC000287573838 371675029 /nfs/dbraw/zinc/67/50/29/371675029.db2.gz GZJHLCPCULHVAZ-DOMZBBRYSA-N 1 1 296.842 3.428 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000293733159 372465045 /nfs/dbraw/zinc/46/50/45/372465045.db2.gz WOCGSHHGIPCCFO-ZBINZKHDSA-N 1 1 299.773 3.232 20 10 CGCDMO Cc1cccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1O ZINC000293758739 372471852 /nfs/dbraw/zinc/47/18/52/372471852.db2.gz XLZMXSUEBCPDMJ-KRWDZBQOSA-N 1 1 287.403 3.092 20 10 CGCDMO CCCOc1ccc(C[N@H+]2CCC[C@@H]2CF)c(O)c1 ZINC000293955817 372536343 /nfs/dbraw/zinc/53/63/43/372536343.db2.gz JCEHHPSKSURYSK-CYBMUJFWSA-N 1 1 267.344 3.115 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000293973922 372542797 /nfs/dbraw/zinc/54/27/97/372542797.db2.gz QWUDVIHJTXLRLA-AWEZNQCLSA-N 1 1 299.773 3.064 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000293973922 372542801 /nfs/dbraw/zinc/54/28/01/372542801.db2.gz QWUDVIHJTXLRLA-AWEZNQCLSA-N 1 1 299.773 3.064 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCCO[C@@H](C(C)C)C2)c1 ZINC000294145004 372593055 /nfs/dbraw/zinc/59/30/55/372593055.db2.gz VBDIMEOCJMBXQD-QGZVFWFLSA-N 1 1 293.407 3.038 20 10 CGCDMO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(C)c2)s1 ZINC000294680713 372666232 /nfs/dbraw/zinc/66/62/32/372666232.db2.gz SOEIZNDAWJAWGH-LLVKDONJSA-N 1 1 290.436 3.072 20 10 CGCDMO Oc1c(F)cccc1C[NH2+]C[C@H]1CCCCC1(F)F ZINC000295033516 372689101 /nfs/dbraw/zinc/68/91/01/372689101.db2.gz DJYGZVMTOKFICR-LLVKDONJSA-N 1 1 273.298 3.446 20 10 CGCDMO CC[N@@H+](Cc1ccncc1)Cc1cc(C)c(C)cc1O ZINC000298581676 373359278 /nfs/dbraw/zinc/35/92/78/373359278.db2.gz DPPVLSWZROEWAM-UHFFFAOYSA-N 1 1 270.376 3.426 20 10 CGCDMO COc1ccc(O)c(C[N@@H+]([C@H](C)C2CC2)C2CC2)c1 ZINC000179731159 373910728 /nfs/dbraw/zinc/91/07/28/373910728.db2.gz GMSFGQNJGGXFAL-LLVKDONJSA-N 1 1 261.365 3.164 20 10 CGCDMO Oc1c(Cl)cccc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000179878436 373935066 /nfs/dbraw/zinc/93/50/66/373935066.db2.gz HLYKRDGFWXVJSO-AWEZNQCLSA-N 1 1 294.826 3.106 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000180483348 374014203 /nfs/dbraw/zinc/01/42/03/374014203.db2.gz ZRTSSQOKSFZBOJ-GOEBONIOSA-N 1 1 293.432 3.261 20 10 CGCDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(Cl)cc(C)c2O)C1 ZINC000180550811 374022137 /nfs/dbraw/zinc/02/21/37/374022137.db2.gz CPUHVEYQZHFCIK-ZDUSSCGKSA-N 1 1 296.842 3.128 20 10 CGCDMO CCN1CC[C@H]([NH2+]Cc2c(C)c3ccccc3n2C)[C@@H](C)C1 ZINC000475200320 375131988 /nfs/dbraw/zinc/13/19/88/375131988.db2.gz ZXUNAAGWJWRSBP-YOEHRIQHSA-N 1 1 299.462 3.307 20 10 CGCDMO CC[N@@H+]1CC[C@H](NCc2c(C)c3ccccc3n2C)[C@@H](C)C1 ZINC000475200320 375131996 /nfs/dbraw/zinc/13/19/96/375131996.db2.gz ZXUNAAGWJWRSBP-YOEHRIQHSA-N 1 1 299.462 3.307 20 10 CGCDMO CC[N@H+]1CC[C@H](NCc2c(C)c3ccccc3n2C)[C@@H](C)C1 ZINC000475200320 375132001 /nfs/dbraw/zinc/13/20/01/375132001.db2.gz ZXUNAAGWJWRSBP-YOEHRIQHSA-N 1 1 299.462 3.307 20 10 CGCDMO CCOC1CC(CC[NH2+][C@H](C)c2ccc(F)cc2O)C1 ZINC000189256142 375349796 /nfs/dbraw/zinc/34/97/96/375349796.db2.gz YNLIVFMKCVKGGI-LKSINWNRSA-N 1 1 281.371 3.387 20 10 CGCDMO CC[C@@]1(CO)CCC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000190219065 375485766 /nfs/dbraw/zinc/48/57/66/375485766.db2.gz MKUDAJBVFQFIPB-MRXNPFEDSA-N 1 1 297.826 3.339 20 10 CGCDMO CC1(C)[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)[C@H]2CCO[C@@H]21 ZINC000191179937 375590115 /nfs/dbraw/zinc/59/01/15/375590115.db2.gz XTILVSSKXSGNGX-WZYXQFPFSA-N 1 1 299.773 3.088 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1O ZINC000228172823 376431293 /nfs/dbraw/zinc/43/12/93/376431293.db2.gz SJUXMKDJEHMAGN-GXTWGEPZSA-N 1 1 261.365 3.165 20 10 CGCDMO CO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2ccccc2O)cs1 ZINC000271724915 378502205 /nfs/dbraw/zinc/50/22/05/378502205.db2.gz YPTFSSRWHGDZIK-QWRGUYRKSA-N 1 1 292.404 3.407 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000272332568 378614107 /nfs/dbraw/zinc/61/41/07/378614107.db2.gz WTZDMNRYWJBWNT-UHFFFAOYSA-N 1 1 275.245 3.226 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000272332568 378614114 /nfs/dbraw/zinc/61/41/14/378614114.db2.gz WTZDMNRYWJBWNT-UHFFFAOYSA-N 1 1 275.245 3.226 20 10 CGCDMO C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000273361057 378742570 /nfs/dbraw/zinc/74/25/70/378742570.db2.gz AJKGUONSVRLRAQ-RKDXNWHRSA-N 1 1 295.276 3.149 20 10 CGCDMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000273379573 378744398 /nfs/dbraw/zinc/74/43/98/378744398.db2.gz HKJSGVVQOKNOAE-ZDUSSCGKSA-N 1 1 287.382 3.480 20 10 CGCDMO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3c[nH]nc32)c(O)c1 ZINC000273494444 378750661 /nfs/dbraw/zinc/75/06/61/378750661.db2.gz OVMGHKSGLCFHCS-BXUZGUMPSA-N 1 1 271.364 3.152 20 10 CGCDMO C[C@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccccc1O ZINC000272800512 378706601 /nfs/dbraw/zinc/70/66/01/378706601.db2.gz BKBDGIPAGUJMBJ-HZMBPMFUSA-N 1 1 293.313 3.055 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1C ZINC000283759739 380087572 /nfs/dbraw/zinc/08/75/72/380087572.db2.gz AVRNEUMAMIXGNE-DOTOQJQBSA-N 1 1 275.392 3.152 20 10 CGCDMO CO[C@@H](C[N@@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000284364613 380138483 /nfs/dbraw/zinc/13/84/83/380138483.db2.gz KVLHDDCCMJUSMD-KRWDZBQOSA-N 1 1 271.360 3.212 20 10 CGCDMO CC[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1ccc(F)cc1O ZINC000286232909 380178953 /nfs/dbraw/zinc/17/89/53/380178953.db2.gz SYCWDXIQZXKLJY-RISCZKNCSA-N 1 1 283.387 3.369 20 10 CGCDMO CC[C@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(F)cc1O ZINC000285532763 380149978 /nfs/dbraw/zinc/14/99/78/380149978.db2.gz FOOBYXNTKIZUDO-RDJZCZTQSA-N 1 1 289.350 3.306 20 10 CGCDMO CC[C@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(F)cc1O ZINC000285903253 380153281 /nfs/dbraw/zinc/15/32/81/380153281.db2.gz BLABSLDUPMXQGA-KBPBESRZSA-N 1 1 293.338 3.289 20 10 CGCDMO C[NH+]1CCC2(CCC[N@H+]2Cc2cccc(Cl)c2[O-])CC1 ZINC000368948962 382383816 /nfs/dbraw/zinc/38/38/16/382383816.db2.gz GBKXVIZDICFTEV-UHFFFAOYSA-N 1 1 294.826 3.106 20 10 CGCDMO CCOCCC1(C[NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000186155312 262081935 /nfs/dbraw/zinc/08/19/35/262081935.db2.gz YKNDZZIQAXFCEI-GFCCVEGCSA-N 1 1 281.371 3.389 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@@H](C)CCSC)c1 ZINC000093558921 392239665 /nfs/dbraw/zinc/23/96/65/392239665.db2.gz GSYKARYYDCDFFZ-LBPRGKRZSA-N 1 1 283.437 3.364 20 10 CGCDMO C[N@H+](Cc1nc2c(s1)CCCC2)Cc1ccccc1O ZINC000179573751 392704717 /nfs/dbraw/zinc/70/47/17/392704717.db2.gz JFACQYZZAXODOP-UHFFFAOYSA-N 1 1 288.416 3.360 20 10 CGCDMO C[N@@H+](Cc1nc2c(s1)CCCC2)Cc1ccccc1O ZINC000179573751 392704724 /nfs/dbraw/zinc/70/47/24/392704724.db2.gz JFACQYZZAXODOP-UHFFFAOYSA-N 1 1 288.416 3.360 20 10 CGCDMO CC[C@@H]([NH2+]CCCN1CCCCC1)c1ccccc1O ZINC000020128824 171015944 /nfs/dbraw/zinc/01/59/44/171015944.db2.gz TYNOBYVBIXEZOH-MRXNPFEDSA-N 1 1 276.424 3.309 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cscn1 ZINC000162326621 261277764 /nfs/dbraw/zinc/27/77/64/261277764.db2.gz FKQOVXCTKZYNDT-NSHDSACASA-N 1 1 261.394 3.060 20 10 CGCDMO CC[C@@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(F)cc1O ZINC000285903263 263096283 /nfs/dbraw/zinc/09/62/83/263096283.db2.gz BLABSLDUPMXQGA-ZIAGYGMSSA-N 1 1 293.338 3.289 20 10 CGCDMO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cccc(F)c1O ZINC000289756032 263111754 /nfs/dbraw/zinc/11/17/54/263111754.db2.gz QWBQZHVEABDHLM-GXTWGEPZSA-N 1 1 281.371 3.047 20 10 CGCDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1cccc(F)c1O ZINC000289756032 263111755 /nfs/dbraw/zinc/11/17/55/263111755.db2.gz QWBQZHVEABDHLM-GXTWGEPZSA-N 1 1 281.371 3.047 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](c3ccncn3)C2)cc1C ZINC000367475263 267092593 /nfs/dbraw/zinc/09/25/93/267092593.db2.gz VMCZROZJRJXQCE-HNNXBMFYSA-N 1 1 297.402 3.179 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H]1CCC=CO1 ZINC000193824106 276002723 /nfs/dbraw/zinc/00/27/23/276002723.db2.gz BVIDHRJVWLKKNJ-HNNXBMFYSA-N 1 1 261.365 3.297 20 10 CGCDMO C[C@@H](O)c1ccc(C[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000185119706 327836742 /nfs/dbraw/zinc/83/67/42/327836742.db2.gz KPLOXPUZYWHABV-VXGBXAGGSA-N 1 1 289.350 3.435 20 10 CGCDMO CCCn1ccnc1CCC[N@@H+](C)Cc1ccccc1O ZINC000290589104 328259629 /nfs/dbraw/zinc/25/96/29/328259629.db2.gz VDQJYHDPCKBXAZ-UHFFFAOYSA-N 1 1 287.407 3.063 20 10 CGCDMO Oc1ccc(Cl)cc1C[NH2+]Cc1noc2c1CCCC2 ZINC000377398437 329014237 /nfs/dbraw/zinc/01/42/37/329014237.db2.gz MDEAKDYFLCGUQF-UHFFFAOYSA-N 1 1 292.766 3.202 20 10 CGCDMO COc1ccc(CNC[C@H]2CC[N@@H+]2C2CCCC2)cc1C ZINC000527808914 330284669 /nfs/dbraw/zinc/28/46/69/330284669.db2.gz QZVLYKCBBNCLEQ-QGZVFWFLSA-N 1 1 288.435 3.110 20 10 CGCDMO COc1ccc(CNC[C@H]2CC[N@H+]2C2CCCC2)cc1C ZINC000527808914 330284670 /nfs/dbraw/zinc/28/46/70/330284670.db2.gz QZVLYKCBBNCLEQ-QGZVFWFLSA-N 1 1 288.435 3.110 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000228966816 333299485 /nfs/dbraw/zinc/29/94/85/333299485.db2.gz LTTVFKLYGCMALR-AEFFLSMTSA-N 1 1 283.371 3.299 20 10 CGCDMO C=Cn1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000278284135 519322076 /nfs/dbraw/zinc/32/20/76/519322076.db2.gz UBBCJVRHIJEXOW-UHFFFAOYSA-N 1 1 298.434 3.460 20 10 CGCDMO CC(C)N1CCC([NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000037236715 519672840 /nfs/dbraw/zinc/67/28/40/519672840.db2.gz MRQGLSHHHLGPCM-OAHLLOKOSA-N 1 1 289.467 3.276 20 10 CGCDMO CCCC[N@@H+](Cc1c(C)cnn1C)Cc1ccccc1O ZINC000289689374 520540627 /nfs/dbraw/zinc/54/06/27/520540627.db2.gz NBBSTXWTLXMCCH-UHFFFAOYSA-N 1 1 287.407 3.236 20 10 CGCDMO CCC(O)(CC)CC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000276650194 521652263 /nfs/dbraw/zinc/65/22/63/521652263.db2.gz MIJBHQNJUWYAOU-NSHDSACASA-N 1 1 269.360 3.123 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H](O)C(C)(C)C ZINC000290259889 521689792 /nfs/dbraw/zinc/68/97/92/521689792.db2.gz KPEWJNMLTJDRFM-OAHLLOKOSA-N 1 1 265.397 3.011 20 10 CGCDMO CCC[N@H+](Cc1nnc(C(C)C)[nH]1)Cc1ccccc1O ZINC000292541279 521693066 /nfs/dbraw/zinc/69/30/66/521693066.db2.gz QACJIDDIHJZXFX-UHFFFAOYSA-N 1 1 288.395 3.046 20 10 CGCDMO CCC[N@@H+](Cc1nnc(C(C)C)[nH]1)Cc1ccccc1O ZINC000292541279 521693067 /nfs/dbraw/zinc/69/30/67/521693067.db2.gz QACJIDDIHJZXFX-UHFFFAOYSA-N 1 1 288.395 3.046 20 10 CGCDMO COc1c(O)c(C[NH2+]C2(C)CCCCC2)ccc1[N+](=O)[O-] ZINC000278914327 521874657 /nfs/dbraw/zinc/87/46/57/521874657.db2.gz TUURFNMXZXBUAO-UHFFFAOYSA-N 1 1 294.351 3.121 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1F ZINC000292739803 522180276 /nfs/dbraw/zinc/18/02/76/522180276.db2.gz HGUAKTTUQJRVTJ-CABCVRRESA-N 1 1 298.352 3.369 20 10 CGCDMO COc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000062744802 524074339 /nfs/dbraw/zinc/07/43/39/524074339.db2.gz FDCDHIJDRJDZRF-NSHDSACASA-N 1 1 275.323 3.391 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1ccc(F)cc1O ZINC000278447617 525386024 /nfs/dbraw/zinc/38/60/24/525386024.db2.gz LDZCGPPVSLPZDR-WFASDCNBSA-N 1 1 292.398 3.199 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000293505717 526332546 /nfs/dbraw/zinc/33/25/46/526332546.db2.gz BUAMRPRRXMUUDE-LLVKDONJSA-N 1 1 299.773 3.376 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000057100683 526357084 /nfs/dbraw/zinc/35/70/84/526357084.db2.gz LTTVFKLYGCMALR-FUHWJXTLSA-N 1 1 283.371 3.299 20 10 CGCDMO c1csc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)n1 ZINC000040443984 526581122 /nfs/dbraw/zinc/58/11/22/526581122.db2.gz IPDDJUNYLKIMQU-UHFFFAOYSA-N 1 1 287.432 3.423 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1C1CC1)CCC2 ZINC000728562090 571811690 /nfs/dbraw/zinc/81/16/90/571811690.db2.gz FDTJPRCRMUFUAK-INIZCTEOSA-N 1 1 257.377 3.255 20 10 CGCDMO CCC[N@@H+](Cc1c(O)ccc2ccncc21)C1CC1 ZINC000728902762 571846749 /nfs/dbraw/zinc/84/67/49/571846749.db2.gz ONVYNBOHZVCLFO-UHFFFAOYSA-N 1 1 256.349 3.315 20 10 CGCDMO Oc1ccccc1C[N@@H+](Cc1ccno1)C1CCCC1 ZINC000732204775 572451779 /nfs/dbraw/zinc/45/17/79/572451779.db2.gz RMTTYZDGVABYIU-UHFFFAOYSA-N 1 1 272.348 3.325 20 10 CGCDMO COC1CCC([N@@H+](C)Cc2cc3c(cc2O)CCC3)CC1 ZINC000734475380 572660162 /nfs/dbraw/zinc/66/01/62/572660162.db2.gz QXHFWICXAYIHFT-UHFFFAOYSA-N 1 1 289.419 3.270 20 10 CGCDMO COC1CCC(C[N@@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC000891396930 618186108 /nfs/dbraw/zinc/18/61/08/618186108.db2.gz HRVQJLIIJHVDOY-UHFFFAOYSA-N 1 1 290.451 3.390 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c(O)c1OC ZINC000891802425 618307880 /nfs/dbraw/zinc/30/78/80/618307880.db2.gz CAYMYKNFBNYONX-TZMCWYRMSA-N 1 1 291.391 3.174 20 10 CGCDMO COc1ccc(C[N@H+]2CCCC[C@H]2C(C)C)c(O)c1OC ZINC000892052822 618505067 /nfs/dbraw/zinc/50/50/67/618505067.db2.gz QPAYOLOJJGGPBI-AWEZNQCLSA-N 1 1 293.407 3.420 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)Cc2ccccc2)c1O ZINC000050132555 618650554 /nfs/dbraw/zinc/65/05/54/618650554.db2.gz FAKLUOOZHAKYPT-UHFFFAOYSA-N 1 1 287.334 3.366 20 10 CGCDMO COc1cc(C[N@@H+](C)CCC(C)C)c(O)cc1C ZINC000179440356 618784487 /nfs/dbraw/zinc/78/44/87/618784487.db2.gz OWCHBVVINYPCEV-UHFFFAOYSA-N 1 1 251.370 3.187 20 10 CGCDMO C[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1cc(F)ccc1O ZINC000840889107 618907288 /nfs/dbraw/zinc/90/72/88/618907288.db2.gz BQTOTTBZQGGOBR-QMMMGPOBSA-N 1 1 293.367 3.111 20 10 CGCDMO COc1ccc2c(c1)C[N@H+](Cc1cc(F)ccc1O)CC2 ZINC000179992705 619011501 /nfs/dbraw/zinc/01/15/01/619011501.db2.gz XRYNSNZALOEUPD-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO CC[C@H](C)[N@@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000184679657 619054148 /nfs/dbraw/zinc/05/41/48/619054148.db2.gz LZMYKGJRWSMYQR-VIFPVBQESA-N 1 1 257.761 3.285 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1O)[C@H]1CCCO1 ZINC000248521368 619182630 /nfs/dbraw/zinc/18/26/30/619182630.db2.gz RNENWFHOEHYREA-RIEGTJTDSA-N 1 1 267.344 3.140 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2cc(F)cc(F)c2[O-])cc1 ZINC000893881487 619326689 /nfs/dbraw/zinc/32/66/89/619326689.db2.gz UZZFUBQYMQRNKH-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO COc1ccc(C[N@H+](C)Cc2cc(F)cc(F)c2O)cc1 ZINC000893881487 619326690 /nfs/dbraw/zinc/32/66/90/619326690.db2.gz UZZFUBQYMQRNKH-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185527864 625370005 /nfs/dbraw/zinc/37/00/05/625370005.db2.gz OPUXDWUKNPKDCE-BLLLJJGKSA-N 1 1 283.387 3.369 20 10 CGCDMO CCC1([NH+]2CCC2)CCN(Cc2c(C)cccc2O)CC1 ZINC000895822140 619890912 /nfs/dbraw/zinc/89/09/12/619890912.db2.gz KVTLRNPIJBBPRR-UHFFFAOYSA-N 1 1 288.435 3.151 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895842744 619892857 /nfs/dbraw/zinc/89/28/57/619892857.db2.gz FHVOESFPFMKNRL-IAQYHMDHSA-N 1 1 281.783 3.047 20 10 CGCDMO Cc1cnc(C[NH2+][C@@H](C)c2ccc(F)cc2O)s1 ZINC000185569008 625386217 /nfs/dbraw/zinc/38/62/17/625386217.db2.gz WWLKWVCJCGGLTJ-VIFPVBQESA-N 1 1 266.341 3.147 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@H](c3ccn(C)n3)C2)c1O ZINC000896488927 620013838 /nfs/dbraw/zinc/01/38/38/620013838.db2.gz RNOSALNLHXELJV-OAHLLOKOSA-N 1 1 299.418 3.068 20 10 CGCDMO CC[C@H]([NH2+]CCc1cscn1)c1ccc(F)cc1O ZINC000796797705 620150386 /nfs/dbraw/zinc/15/03/86/620150386.db2.gz MYDPNHUBNCIZAK-ZDUSSCGKSA-N 1 1 280.368 3.271 20 10 CGCDMO Oc1cccc(Br)c1C[N@H+]1CC[C@H]1C1CC1 ZINC000862384993 620297849 /nfs/dbraw/zinc/29/78/49/620297849.db2.gz NHURQVRGQBQXDE-LBPRGKRZSA-N 1 1 282.181 3.139 20 10 CGCDMO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841744142 620345628 /nfs/dbraw/zinc/34/56/28/620345628.db2.gz FLKFAHJVHKZBPR-LLVKDONJSA-N 1 1 293.798 3.361 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@H](Cc3nccs3)C2)c1O ZINC000898071430 620477116 /nfs/dbraw/zinc/47/71/16/620477116.db2.gz JZDONFZPYPKPKT-CYBMUJFWSA-N 1 1 288.416 3.222 20 10 CGCDMO C[C@@H]([NH2+]C[C@]1(C)CCCCO1)c1ccc(F)cc1O ZINC000927016050 620561491 /nfs/dbraw/zinc/56/14/91/620561491.db2.gz DXQILBGHDCQTCS-ABAIWWIYSA-N 1 1 267.344 3.141 20 10 CGCDMO CCc1onc(C)c1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000927139331 620599571 /nfs/dbraw/zinc/59/95/71/620599571.db2.gz KASXMTCUNAYEEI-VIFPVBQESA-N 1 1 278.327 3.241 20 10 CGCDMO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185835886 625463289 /nfs/dbraw/zinc/46/32/89/625463289.db2.gz VJKNOLVADFGLAO-ZETOZRRWSA-N 1 1 293.338 3.287 20 10 CGCDMO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000902634850 621389861 /nfs/dbraw/zinc/38/98/61/621389861.db2.gz UDIJLUSQNGPHHY-UKRRQHHQSA-N 1 1 293.407 3.005 20 10 CGCDMO Oc1cccc2c1[C@H]([NH2+][C@@H]1c3ccccc3OC[C@H]1F)CC2 ZINC000903266695 621653980 /nfs/dbraw/zinc/65/39/80/621653980.db2.gz UWWRDTLEKOAXDN-HBUWYVDXSA-N 1 1 299.345 3.441 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000768262377 625531513 /nfs/dbraw/zinc/53/15/13/625531513.db2.gz JJYDEGSLHNRGSB-STQMWFEESA-N 1 1 263.381 3.411 20 10 CGCDMO CCO[C@@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000155430434 622341948 /nfs/dbraw/zinc/34/19/48/622341948.db2.gz MRZVGQXRTNIQNT-OAHLLOKOSA-N 1 1 263.381 3.010 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC[C@H]2CSC)c(O)c1 ZINC000769513513 625571456 /nfs/dbraw/zinc/57/14/56/625571456.db2.gz AYIZYHIDEKVLQN-ZDUSSCGKSA-N 1 1 281.421 3.118 20 10 CGCDMO C[C@H]1CCN(Cc2cc(Cl)c(F)cc2O)C[C@@H]1F ZINC000816564989 625596482 /nfs/dbraw/zinc/59/64/82/625596482.db2.gz XMLQHTKSZGEGQT-UFBFGSQYSA-N 1 1 275.726 3.365 20 10 CGCDMO CC[C@@H](C)C[N@@H+](C)Cc1cc(C)cc(OC)c1O ZINC000164316934 622828525 /nfs/dbraw/zinc/82/85/25/622828525.db2.gz NECRXJOIADRKNB-LLVKDONJSA-N 1 1 251.370 3.187 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c1 ZINC000164415625 622834831 /nfs/dbraw/zinc/83/48/31/622834831.db2.gz YNZSCGPONHCVNC-BETUJISGSA-N 1 1 265.422 3.335 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H]2CSC)c1O ZINC000164526367 622836859 /nfs/dbraw/zinc/83/68/59/622836859.db2.gz JLJIYAKCHDINNN-ZDUSSCGKSA-N 1 1 281.421 3.037 20 10 CGCDMO CC(C)C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)N(C)C ZINC000062745404 623264987 /nfs/dbraw/zinc/26/49/87/623264987.db2.gz UNCIAYSXDASZMA-JSGCOSHPSA-N 1 1 282.403 3.158 20 10 CGCDMO CCC[C@H]1C[N@@H+](Cc2cc(C)c(C)cc2O)CCO1 ZINC000152541597 623688900 /nfs/dbraw/zinc/68/89/00/623688900.db2.gz YNDMRSVXOWZHIU-HNNXBMFYSA-N 1 1 263.381 3.010 20 10 CGCDMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccccc1O)C1CC1 ZINC000179557525 624665824 /nfs/dbraw/zinc/66/58/24/624665824.db2.gz HLONMTGGTVOYDH-UHFFFAOYSA-N 1 1 298.342 3.465 20 10 CGCDMO CC[N@@H+](Cc1cc(OC)ccc1O)[C@@H](C)C(C)C ZINC000179885684 624694730 /nfs/dbraw/zinc/69/47/30/624694730.db2.gz RGEDTBBVXBTCMI-LBPRGKRZSA-N 1 1 251.370 3.267 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2Cc3ccccc3C[C@@H]2C)c1 ZINC000180433221 624746196 /nfs/dbraw/zinc/74/61/96/624746196.db2.gz XTMYNCQZEVJFSK-ZDUSSCGKSA-N 1 1 283.371 3.348 20 10 CGCDMO Cc1cccc(C[N@@H+](C)CCOCc2ccccc2)c1O ZINC000180713161 624768164 /nfs/dbraw/zinc/76/81/64/624768164.db2.gz RFKLTXTYTFGZCJ-UHFFFAOYSA-N 1 1 285.387 3.349 20 10 CGCDMO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2nccn2C)cc1 ZINC000182501437 625006574 /nfs/dbraw/zinc/00/65/74/625006574.db2.gz IOBHVQSBZYLRKQ-AWEZNQCLSA-N 1 1 286.423 3.117 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCCC3(CC3)C1)CCC2 ZINC000184867364 625279052 /nfs/dbraw/zinc/27/90/52/625279052.db2.gz HWUUNVJAGWQCMG-UHFFFAOYSA-N 1 1 257.377 3.257 20 10 CGCDMO C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)c2nccn21 ZINC000922163424 625977577 /nfs/dbraw/zinc/97/75/77/625977577.db2.gz ACBQIOIYBXIBDS-SWLSCSKDSA-N 1 1 283.375 3.004 20 10 CGCDMO C[C@H](NCC[N@H+](C)C1CCCCC1)c1cc(F)ccc1O ZINC000756454574 626092961 /nfs/dbraw/zinc/09/29/61/626092961.db2.gz GOJBGMXEZBGSGP-ZDUSSCGKSA-N 1 1 294.414 3.446 20 10 CGCDMO C[C@H](NCC[N@@H+](C)C1CCCCC1)c1cc(F)ccc1O ZINC000756454574 626092964 /nfs/dbraw/zinc/09/29/64/626092964.db2.gz GOJBGMXEZBGSGP-ZDUSSCGKSA-N 1 1 294.414 3.446 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cnc(C)o1)c1ccc(F)cc1O ZINC000840795171 626251776 /nfs/dbraw/zinc/25/17/76/626251776.db2.gz VIVRCCFAFKJMPH-CYBMUJFWSA-N 1 1 264.300 3.069 20 10 CGCDMO Oc1c(C[NH+]2CC(OCC(F)F)C2)ccc2ccccc21 ZINC000839138751 626322461 /nfs/dbraw/zinc/32/24/61/626322461.db2.gz TYMZVZCVHABFSO-UHFFFAOYSA-N 1 1 293.313 3.011 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)C2CC(C)(C)C2)cc1OC ZINC000839184309 626327085 /nfs/dbraw/zinc/32/70/85/626327085.db2.gz GBGSRAGAJVFEOR-UHFFFAOYSA-N 1 1 279.380 3.030 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000839192569 626329032 /nfs/dbraw/zinc/32/90/32/626329032.db2.gz LBKZPCKHKWVKAB-ZDUSSCGKSA-N 1 1 293.407 3.110 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CSCCS1)c1c(O)cccc1F ZINC000886536855 626362141 /nfs/dbraw/zinc/36/21/41/626362141.db2.gz POPFCRXGXMUQKZ-UWVGGRQHSA-N 1 1 287.425 3.031 20 10 CGCDMO C[N@@H+](Cc1cc(-n2ccnc2)cs1)Cc1ccccc1O ZINC000753537241 626454321 /nfs/dbraw/zinc/45/43/21/626454321.db2.gz SBZGZPIEZXQIDI-UHFFFAOYSA-N 1 1 299.399 3.271 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[NH2+]C2(C3CC3)CC2)c1O ZINC000754359363 626569227 /nfs/dbraw/zinc/56/92/27/626569227.db2.gz VHEUUSPWPWJRFZ-UHFFFAOYSA-N 1 1 279.767 3.280 20 10 CGCDMO CC[C@]1(C)CC[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000754739654 626585826 /nfs/dbraw/zinc/58/58/26/626585826.db2.gz MCFKYTFLFWNOGX-MRXNPFEDSA-N 1 1 263.381 3.331 20 10 CGCDMO C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)c1ccccn1 ZINC000756344202 626693802 /nfs/dbraw/zinc/69/38/02/626693802.db2.gz SEHNZCSTVSNIQN-NXEZZACHSA-N 1 1 278.302 3.477 20 10 CGCDMO C[C@H]([NH2+]CCN1[C@@H](C)CCC[C@@H]1C)c1ccc(F)cc1O ZINC000756556986 626714746 /nfs/dbraw/zinc/71/47/46/626714746.db2.gz ZAJPOHGPRSBOEQ-IHRRRGAJSA-N 1 1 294.414 3.445 20 10 CGCDMO CC(C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)[nH]1 ZINC000756776773 626731559 /nfs/dbraw/zinc/73/15/59/626731559.db2.gz DDGCOQYLBSNDFQ-VHSXEESVSA-N 1 1 292.358 3.185 20 10 CGCDMO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(F)cc2O)C1(C)C ZINC000756790718 626732529 /nfs/dbraw/zinc/73/25/29/626732529.db2.gz OPUQDHILERUJHP-KTJYFRGRSA-N 1 1 281.371 3.241 20 10 CGCDMO Cc1nnc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)s1 ZINC000757637208 626796202 /nfs/dbraw/zinc/79/62/02/626796202.db2.gz GJDFLDVKBSJNEQ-OIBJUYFYSA-N 1 1 293.367 3.029 20 10 CGCDMO Cc1cccc(C[N@H+]2CCO[C@H](C3CCCCC3)C2)c1O ZINC000758061579 626824662 /nfs/dbraw/zinc/82/46/62/626824662.db2.gz AEYJGIFFZLBVFL-KRWDZBQOSA-N 1 1 289.419 3.482 20 10 CGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCC2(CCC2)C1 ZINC000758393265 626841303 /nfs/dbraw/zinc/84/13/03/626841303.db2.gz FAZJMOOBVDNGFA-UHFFFAOYSA-N 1 1 268.360 3.316 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C1CC(F)(F)C1 ZINC000758599630 626850288 /nfs/dbraw/zinc/85/02/88/626850288.db2.gz MAQDINROGLIAFC-UHFFFAOYSA-N 1 1 265.662 3.072 20 10 CGCDMO Cc1ccc(O)c(CNc2[nH+]c3ccc(F)cc3n2C)c1 ZINC000766520499 627340496 /nfs/dbraw/zinc/34/04/96/627340496.db2.gz MYYITEGEEIHPLH-UHFFFAOYSA-N 1 1 285.322 3.339 20 10 CGCDMO CCCC[N@@H+](CCO)Cc1ccc(N(CC)CC)cc1 ZINC000768139649 627463025 /nfs/dbraw/zinc/46/30/25/627463025.db2.gz FVOJXURCYJMGSA-UHFFFAOYSA-N 1 1 278.440 3.127 20 10 CGCDMO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc(C)c(C)cc1O ZINC000768172928 627465655 /nfs/dbraw/zinc/46/56/55/627465655.db2.gz RSCQIELROQMATJ-HIFRSBDPSA-N 1 1 263.381 3.008 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](Cc1ccco1)C(C)C ZINC000768249733 627470682 /nfs/dbraw/zinc/47/06/82/627470682.db2.gz JCGHGLFZXVRBKQ-UHFFFAOYSA-N 1 1 275.348 3.404 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2C(C)C)c1 ZINC000768320327 627473570 /nfs/dbraw/zinc/47/35/70/627473570.db2.gz SIFFSCRZOOLEFA-HNNXBMFYSA-N 1 1 263.381 3.411 20 10 CGCDMO CCOc1ccc(C[N@@H+](CCOC)C(CC)CC)c(O)c1 ZINC000768601694 627488906 /nfs/dbraw/zinc/48/89/06/627488906.db2.gz ODAGDWRYSHSPSP-UHFFFAOYSA-N 1 1 295.423 3.428 20 10 CGCDMO Cc1cc(C[N@H+](C)Cc2ccccc2O)cnc1Cl ZINC000768873550 627505404 /nfs/dbraw/zinc/50/54/04/627505404.db2.gz PUFPBYLEQBWAGC-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](C)[C@H]2C)c1 ZINC000769223763 627531652 /nfs/dbraw/zinc/53/16/52/627531652.db2.gz QRHRICJUCBDKJB-QWHCGFSZSA-N 1 1 263.381 3.411 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C)c(O)c1 ZINC000769224880 627531819 /nfs/dbraw/zinc/53/18/19/627531819.db2.gz ZWWDMWJITGJAEW-QWHCGFSZSA-N 1 1 263.381 3.411 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000769236717 627532291 /nfs/dbraw/zinc/53/22/91/627532291.db2.gz CDSLFJFZTUKZBG-CQSZACIVSA-N 1 1 261.365 3.165 20 10 CGCDMO CCCO[C@H]1CCC[N@@H+](Cc2c(O)cccc2OC)CC1 ZINC000769383647 627546989 /nfs/dbraw/zinc/54/69/89/627546989.db2.gz FWVFQOOHJHSMAN-AWEZNQCLSA-N 1 1 293.407 3.182 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](CC(C)C)C1 ZINC000769403354 627549505 /nfs/dbraw/zinc/54/95/05/627549505.db2.gz RBFKLXMKSHPROU-ZDUSSCGKSA-N 1 1 263.381 3.269 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C(C)(C)C1 ZINC000769450156 627553497 /nfs/dbraw/zinc/55/34/97/627553497.db2.gz BCAVLABHDAMUQJ-OAHLLOKOSA-N 1 1 288.435 3.144 20 10 CGCDMO C[C@H]1COCCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000769457676 627554686 /nfs/dbraw/zinc/55/46/86/627554686.db2.gz OMCOKGLLVFMQJJ-INIZCTEOSA-N 1 1 288.435 3.288 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCOC[C@H](C)C2)cc1 ZINC000769456619 627555108 /nfs/dbraw/zinc/55/51/08/627555108.db2.gz OKJNLXJGSAKQCQ-OAHLLOKOSA-N 1 1 276.424 3.001 20 10 CGCDMO CC[C@H]1CCC[N@@H+](Cc2c(O)cccc2OC)CC1 ZINC000769463190 627555638 /nfs/dbraw/zinc/55/56/38/627555638.db2.gz NYCFWNBWVXQFRH-ZDUSSCGKSA-N 1 1 263.381 3.413 20 10 CGCDMO [O-]c1c(Br)cccc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000769515345 627561535 /nfs/dbraw/zinc/56/15/35/627561535.db2.gz OJYOUCLGHTUMQT-NSHDSACASA-N 1 1 296.208 3.387 20 10 CGCDMO Oc1c(Br)cccc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000769515345 627561537 /nfs/dbraw/zinc/56/15/37/627561537.db2.gz OJYOUCLGHTUMQT-NSHDSACASA-N 1 1 296.208 3.387 20 10 CGCDMO Oc1c(Br)cccc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000769515345 627561540 /nfs/dbraw/zinc/56/15/40/627561540.db2.gz OJYOUCLGHTUMQT-NSHDSACASA-N 1 1 296.208 3.387 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H](CO)C(C)(C)C)cc1 ZINC000769534968 627563410 /nfs/dbraw/zinc/56/34/10/627563410.db2.gz ZYIVTFNRNMLRHR-QGZVFWFLSA-N 1 1 292.467 3.372 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000770510074 627623189 /nfs/dbraw/zinc/62/31/89/627623189.db2.gz WZKIZXDUNJRMMJ-QGZVFWFLSA-N 1 1 283.371 3.436 20 10 CGCDMO CN1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000771925075 627744766 /nfs/dbraw/zinc/74/47/66/627744766.db2.gz WUAAXUMNDIMCBX-UHFFFAOYSA-N 1 1 296.414 3.197 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)Cc2cccc(O)c2)c1O ZINC000771935006 627746296 /nfs/dbraw/zinc/74/62/96/627746296.db2.gz HDWMFQNWZLJWCR-UHFFFAOYSA-N 1 1 287.359 3.129 20 10 CGCDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000773754517 627910995 /nfs/dbraw/zinc/91/09/95/627910995.db2.gz GZUGOQZACMHUES-KRWDZBQOSA-N 1 1 290.451 3.391 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)Cc2cccc(O)c2)cc1 ZINC000773756800 627911731 /nfs/dbraw/zinc/91/17/31/627911731.db2.gz VQGKBDDUPIKZEB-UHFFFAOYSA-N 1 1 284.403 3.480 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000773770025 627913656 /nfs/dbraw/zinc/91/36/56/627913656.db2.gz BEOCIKVLOAQSIV-INIZCTEOSA-N 1 1 298.434 3.245 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)Cc2ccc(OC)nc2)cc1 ZINC000773808780 627916564 /nfs/dbraw/zinc/91/65/64/627916564.db2.gz QMKDHHWAGLEASO-UHFFFAOYSA-N 1 1 299.418 3.178 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCOCC23CCCC3)cc1 ZINC000773809841 627917058 /nfs/dbraw/zinc/91/70/58/627917058.db2.gz ATQUFPXTBZBBRU-UHFFFAOYSA-N 1 1 288.435 3.288 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)cc1 ZINC000773887223 627924947 /nfs/dbraw/zinc/92/49/47/627924947.db2.gz DZPRHWLNYVIPNJ-ZNMIVQPWSA-N 1 1 276.424 3.140 20 10 CGCDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cc(OC)c(C)cc1O ZINC000774621435 628009394 /nfs/dbraw/zinc/00/93/94/628009394.db2.gz QJHIFEYRLKLMHJ-FZMZJTMJSA-N 1 1 263.381 3.330 20 10 CGCDMO CCC[C@]1(CO)CCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000775175422 628069080 /nfs/dbraw/zinc/06/90/80/628069080.db2.gz IAHGUXKVOGKUMX-QGZVFWFLSA-N 1 1 277.408 3.136 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](C)CCC[C@@H]2C)c1 ZINC000775710021 628127937 /nfs/dbraw/zinc/12/79/37/628127937.db2.gz ZVKQBWLNKOXGDN-STQMWFEESA-N 1 1 263.381 3.411 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCCC[C@@H](C)C2)c1 ZINC000775998787 628156659 /nfs/dbraw/zinc/15/66/59/628156659.db2.gz SQBBMWVYBIPEFS-CYBMUJFWSA-N 1 1 263.381 3.413 20 10 CGCDMO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC=CCC1 ZINC000779160618 628391497 /nfs/dbraw/zinc/39/14/97/628391497.db2.gz YNQAFNZVQNNSRQ-UHFFFAOYSA-N 1 1 256.393 3.439 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCOCC2(CC2)C1 ZINC000782301673 628636428 /nfs/dbraw/zinc/63/64/28/628636428.db2.gz PXWXUBBYWSEFAY-UHFFFAOYSA-N 1 1 283.371 3.158 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1Cc2ccccc2OC[C@H]1C ZINC000783598484 628730651 /nfs/dbraw/zinc/73/06/51/628730651.db2.gz SZKBWTCOWREXPI-CYBMUJFWSA-N 1 1 299.370 3.184 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)C1CC(OC(C)(C)C)C1 ZINC000783649585 628735209 /nfs/dbraw/zinc/73/52/09/628735209.db2.gz HNNUUGZKFCSGPZ-UHFFFAOYSA-N 1 1 263.381 3.170 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](C)[C@@H](OC)C2)cc1 ZINC000784669258 628828344 /nfs/dbraw/zinc/82/83/44/628828344.db2.gz YWOYGZVATDSVMA-YJBOKZPZSA-N 1 1 290.451 3.390 20 10 CGCDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)Cc1ccccc1O ZINC000788495128 629059607 /nfs/dbraw/zinc/05/96/07/629059607.db2.gz ZRVADFIGUNGJMH-UHFFFAOYSA-N 1 1 290.294 3.072 20 10 CGCDMO C[C@@H]([NH2+]CCF)c1cccc(C(F)(F)F)c1O ZINC000788801027 629082830 /nfs/dbraw/zinc/08/28/30/629082830.db2.gz KJHHVKGFSFUBRR-SSDOTTSWSA-N 1 1 251.223 3.031 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@H](C(C)(C)C)C2)cc1C ZINC000790417576 629210397 /nfs/dbraw/zinc/21/03/97/629210397.db2.gz UOAWNOLYGVCJQN-INIZCTEOSA-N 1 1 277.408 3.256 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)c1ccc(F)cc1O ZINC000790499703 629214320 /nfs/dbraw/zinc/21/43/20/629214320.db2.gz ZAXZQQJDDRQJSB-WBMJQRKESA-N 1 1 294.414 3.302 20 10 CGCDMO C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc[nH]1 ZINC000790981166 629245922 /nfs/dbraw/zinc/24/59/22/629245922.db2.gz SMZGSSLSKAJXAM-MRVPVSSYSA-N 1 1 268.719 3.364 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C1Cc2ccccc2C1 ZINC000790985745 629247006 /nfs/dbraw/zinc/24/70/06/629247006.db2.gz BHLBCQLDAXZLTI-UHFFFAOYSA-N 1 1 291.753 3.442 20 10 CGCDMO CC[N@@H+](Cc1cnc(C)o1)Cc1ccc(N(C)C)cc1 ZINC000862212550 629323833 /nfs/dbraw/zinc/32/38/33/629323833.db2.gz UDRGMYDUXHVBRT-UHFFFAOYSA-N 1 1 273.380 3.071 20 10 CGCDMO CC1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792157557 629341708 /nfs/dbraw/zinc/34/17/08/629341708.db2.gz YMGOYRLDAYCUGP-UHFFFAOYSA-N 1 1 257.736 3.417 20 10 CGCDMO COCC[N@@H+](Cc1cc(C)ccc1O)[C@H]1CC[C@H](C)C1 ZINC000792193007 629348238 /nfs/dbraw/zinc/34/82/38/629348238.db2.gz PNNIQZQQIZNEML-HOCLYGCPSA-N 1 1 277.408 3.338 20 10 CGCDMO CC(C)O[C@@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862398504 629362890 /nfs/dbraw/zinc/36/28/90/629362890.db2.gz KQXOMUGGQNTXJW-CYBMUJFWSA-N 1 1 298.377 3.030 20 10 CGCDMO CC(C)O[C@@H]1CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862398504 629362901 /nfs/dbraw/zinc/36/29/01/629362901.db2.gz KQXOMUGGQNTXJW-CYBMUJFWSA-N 1 1 298.377 3.030 20 10 CGCDMO COc1cccc(C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1O ZINC000862444262 629376941 /nfs/dbraw/zinc/37/69/41/629376941.db2.gz UEDWPGCFTBDDOU-PHIMTYICSA-N 1 1 285.334 3.124 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc1C ZINC000793220089 629430530 /nfs/dbraw/zinc/43/05/30/629430530.db2.gz QYCTVXITHVSIOF-GUYCJALGSA-N 1 1 275.392 3.008 20 10 CGCDMO CC[NH+](CC)[C@H](C)CNCc1cc(Cl)cc(C)c1O ZINC000793246840 629435177 /nfs/dbraw/zinc/43/51/77/629435177.db2.gz VJSFKCOLAMCQHS-GFCCVEGCSA-N 1 1 284.831 3.174 20 10 CGCDMO CC[N@H+](Cc1cc(C)cc(OC)c1O)CC1CCC1 ZINC000794683161 629566372 /nfs/dbraw/zinc/56/63/72/629566372.db2.gz MIQNXKKQUCGBKF-UHFFFAOYSA-N 1 1 263.381 3.331 20 10 CGCDMO COc1ccc2ccc(O)c(C[N@H+](C)C[C@H](C)OC)c2c1 ZINC000795745591 629713326 /nfs/dbraw/zinc/71/33/26/629713326.db2.gz DBTSXLSVQKWTMP-LBPRGKRZSA-N 1 1 289.375 3.021 20 10 CGCDMO CC1=C(C)C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000796021744 629736781 /nfs/dbraw/zinc/73/67/81/629736781.db2.gz VKNOVUKLJQUJPZ-UHFFFAOYSA-N 1 1 262.372 3.434 20 10 CGCDMO CCCCOCC[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000796726674 629820737 /nfs/dbraw/zinc/82/07/37/629820737.db2.gz YJIPXNKZHYNGQD-AWEZNQCLSA-N 1 1 269.360 3.389 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cscn1)c1ccc(F)cc1O ZINC000796736263 629823386 /nfs/dbraw/zinc/82/33/86/629823386.db2.gz CRNKPKHFEGBARK-GFCCVEGCSA-N 1 1 266.341 3.229 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000796787654 629834409 /nfs/dbraw/zinc/83/44/09/629834409.db2.gz OYAZICYZWGQPRT-LNSITVRQSA-N 1 1 280.387 3.055 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000796787654 629834410 /nfs/dbraw/zinc/83/44/10/629834410.db2.gz OYAZICYZWGQPRT-LNSITVRQSA-N 1 1 280.387 3.055 20 10 CGCDMO CC[C@H]([NH2+]Cc1ccc(F)cn1)c1ccc(F)cc1O ZINC000796799434 629835976 /nfs/dbraw/zinc/83/59/76/629835976.db2.gz UIRIASIYXKPVEV-AWEZNQCLSA-N 1 1 278.302 3.306 20 10 CGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)CCOC ZINC000801599200 630346306 /nfs/dbraw/zinc/34/63/06/630346306.db2.gz FGLUUEOPDKODJN-AWEZNQCLSA-N 1 1 265.397 3.419 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000840118349 630599786 /nfs/dbraw/zinc/59/97/86/630599786.db2.gz DEZGKOUOOLPEJF-GVDBMIGSSA-N 1 1 289.419 3.134 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H]2CCCOC2)cc1F ZINC000809692903 630784174 /nfs/dbraw/zinc/78/41/74/630784174.db2.gz JBGBYYOLFOWEGM-HNNXBMFYSA-N 1 1 294.414 3.283 20 10 CGCDMO CCC[N@H+](CC)C[C@H](C)N[C@H](C)c1cc(F)ccc1O ZINC000810263787 630862660 /nfs/dbraw/zinc/86/26/60/630862660.db2.gz TUOKUHJCZXSSDR-QWHCGFSZSA-N 1 1 282.403 3.302 20 10 CGCDMO CCC[N@@H+](CC)C[C@H](C)N[C@H](C)c1cc(F)ccc1O ZINC000810263787 630862662 /nfs/dbraw/zinc/86/26/62/630862662.db2.gz TUOKUHJCZXSSDR-QWHCGFSZSA-N 1 1 282.403 3.302 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CCCC1 ZINC000876553070 634856052 /nfs/dbraw/zinc/85/60/52/634856052.db2.gz JPDPNZAUXSFPHN-UHFFFAOYSA-N 1 1 288.435 3.022 20 10 CGCDMO COC1(c2ccccc2)C[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC000813330690 631410265 /nfs/dbraw/zinc/41/02/65/631410265.db2.gz CXOSVXLETLXEPI-UHFFFAOYSA-N 1 1 296.414 3.110 20 10 CGCDMO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1cc2c(cc1O)CCCC2 ZINC000813877192 631475335 /nfs/dbraw/zinc/47/53/35/631475335.db2.gz NQXZHCKTENQFDJ-UONOGXRCSA-N 1 1 290.451 3.119 20 10 CGCDMO Cc1cc(C[N@H+]2CCn3cccc3[C@H]2C)ccc1N(C)C ZINC000815011624 631704260 /nfs/dbraw/zinc/70/42/60/631704260.db2.gz UICNPAHPDONERK-OAHLLOKOSA-N 1 1 283.419 3.439 20 10 CGCDMO COC[C@H]1CCCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815095481 631716228 /nfs/dbraw/zinc/71/62/28/631716228.db2.gz WTGVPHTYVUXPIE-KRWDZBQOSA-N 1 1 290.451 3.310 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@](C)(OC)C2)cc1 ZINC000815103958 631717785 /nfs/dbraw/zinc/71/77/85/631717785.db2.gz WMPWIDLHLDOHHN-KRWDZBQOSA-N 1 1 276.424 3.144 20 10 CGCDMO C[C@@H]1C[C@H]([NH2+]CC(C)(F)F)c2c1c(F)ccc2O ZINC000815644503 631811339 /nfs/dbraw/zinc/81/13/39/631811339.db2.gz DASYIDSWYQNQIH-APPZFPTMSA-N 1 1 259.271 3.324 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH+]1C2CCC1CC2 ZINC000816484280 631990122 /nfs/dbraw/zinc/99/01/22/631990122.db2.gz WOKNYGCEMMPXQF-UHFFFAOYSA-N 1 1 255.720 3.312 20 10 CGCDMO CC(C)[NH+]1CCN(Cc2ccc3ccccc3c2O)CC1 ZINC000816483900 631990306 /nfs/dbraw/zinc/99/03/06/631990306.db2.gz JIRAGPCXOOWFRB-UHFFFAOYSA-N 1 1 284.403 3.071 20 10 CGCDMO [O-]c1c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc2ccccc21 ZINC000816536339 632006234 /nfs/dbraw/zinc/00/62/34/632006234.db2.gz SJUWZUBIGZVWNV-SJORKVTESA-N 1 1 296.414 3.262 20 10 CGCDMO [O-]c1c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc2ccccc21 ZINC000816536339 632006240 /nfs/dbraw/zinc/00/62/40/632006240.db2.gz SJUWZUBIGZVWNV-SJORKVTESA-N 1 1 296.414 3.262 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(F)cn1 ZINC000816557279 632011971 /nfs/dbraw/zinc/01/19/71/632011971.db2.gz KNDNKMPAPLSZDZ-UHFFFAOYSA-N 1 1 284.693 3.009 20 10 CGCDMO CCOCC[N@@H+](C)Cc1ccc2ccccc2c1O ZINC000816565686 632015257 /nfs/dbraw/zinc/01/52/57/632015257.db2.gz YMOADOLFTMFXCP-UHFFFAOYSA-N 1 1 259.349 3.014 20 10 CGCDMO CO[C@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CC[C@@H]1C ZINC000816586422 632017300 /nfs/dbraw/zinc/01/73/00/632017300.db2.gz HMFZYTGAHDSWCQ-GUYCJALGSA-N 1 1 285.387 3.402 20 10 CGCDMO CO[C@H](C)C[N@@H+](C)Cc1ccc2ccccc2c1O ZINC000816609824 632023661 /nfs/dbraw/zinc/02/36/61/632023661.db2.gz NTUFUWXIIZITCT-GFCCVEGCSA-N 1 1 259.349 3.012 20 10 CGCDMO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1cc[nH]c(=O)c1 ZINC000816639223 632028611 /nfs/dbraw/zinc/02/86/11/632028611.db2.gz LINDZJVBNVTKGC-QMMMGPOBSA-N 1 1 296.729 3.136 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817948084 632244358 /nfs/dbraw/zinc/24/43/58/632244358.db2.gz UXFGMXFPPLLNRO-HUBLWGQQSA-N 1 1 296.842 3.474 20 10 CGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CCCCN2)c1O ZINC000817949801 632246336 /nfs/dbraw/zinc/24/63/36/632246336.db2.gz NFZXIYCRGYJVPK-DGCLKSJQSA-N 1 1 282.815 3.147 20 10 CGCDMO CC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817954085 632249182 /nfs/dbraw/zinc/24/91/82/632249182.db2.gz BKSQIUKDYXTVJX-FZMZJTMJSA-N 1 1 282.815 3.086 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1cccc(Cl)c1[O-] ZINC000817968186 632261188 /nfs/dbraw/zinc/26/11/88/632261188.db2.gz HEIGYIBZZVSCBQ-LEWSCRJBSA-N 1 1 282.815 3.084 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)C[NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000817966396 632261809 /nfs/dbraw/zinc/26/18/09/632261809.db2.gz MUSFFHKDYWESGW-HQJQHLMTSA-N 1 1 277.195 3.087 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc2ccccc2c1[O-] ZINC000817970804 632263872 /nfs/dbraw/zinc/26/38/72/632263872.db2.gz FKIUEDDLNNXRER-UMVBOHGHSA-N 1 1 284.403 3.337 20 10 CGCDMO C[C@@H]([NH3+])[C@H](C)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817978109 632268733 /nfs/dbraw/zinc/26/87/33/632268733.db2.gz WETIXKIJQPTYIE-ILXRZTDVSA-N 1 1 275.440 3.063 20 10 CGCDMO C[C@@H]([NH3+])[C@H](C)N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817977415 632269119 /nfs/dbraw/zinc/26/91/19/632269119.db2.gz JXKAGNRYEMMINW-PMPSAXMXSA-N 1 1 289.467 3.453 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](C)C[C@](C)(O)c2ccccc2)c1 ZINC000822517541 632958203 /nfs/dbraw/zinc/95/82/03/632958203.db2.gz ZCYQLAGTCZPIDL-SFHVURJKSA-N 1 1 285.387 3.040 20 10 CGCDMO C[C@H]([NH2+]Cc1cc2n(n1)CCCC2)c1ccc(N(C)C)cc1 ZINC000844322453 635869730 /nfs/dbraw/zinc/86/97/30/635869730.db2.gz NCBYBMAMXVLMBE-AWEZNQCLSA-N 1 1 298.434 3.136 20 10 CGCDMO CCC[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)OC ZINC000824544124 633258039 /nfs/dbraw/zinc/25/80/39/633258039.db2.gz UKAVEWJPVSEXSG-SECBINFHSA-N 1 1 275.751 3.089 20 10 CGCDMO CC[N@H+](Cc1cc(Cl)c(C)cc1O)C[C@@H]1CCOC1 ZINC000824575138 633261178 /nfs/dbraw/zinc/26/11/78/633261178.db2.gz BTMSXQFBBLRJPJ-LBPRGKRZSA-N 1 1 283.799 3.212 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H]2C2CC2)c1O ZINC000824651028 633268751 /nfs/dbraw/zinc/26/87/51/633268751.db2.gz SPLVIHKNYJQLRA-GFCCVEGCSA-N 1 1 267.756 3.039 20 10 CGCDMO CS[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000824683639 633272140 /nfs/dbraw/zinc/27/21/40/633272140.db2.gz SVGNSIZSQFBXSF-LBPRGKRZSA-N 1 1 271.813 3.291 20 10 CGCDMO CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876573872 634861305 /nfs/dbraw/zinc/86/13/05/634861305.db2.gz GDOORBCOJARAMJ-OAHLLOKOSA-N 1 1 290.451 3.124 20 10 CGCDMO CC[N@H+](Cc1ccc(Br)cc1O)CC1CC1 ZINC000824801494 633292483 /nfs/dbraw/zinc/29/24/83/633292483.db2.gz AVIAIYKKHYLUDO-UHFFFAOYSA-N 1 1 284.197 3.387 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCSC[C@@H]2C)cc1Cl ZINC000824806843 633292586 /nfs/dbraw/zinc/29/25/86/633292586.db2.gz AAWBYWKIQUWKSU-JTQLQIEISA-N 1 1 271.813 3.291 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)cc1 ZINC000824942429 633308849 /nfs/dbraw/zinc/30/88/49/633308849.db2.gz ZUKZZVCTXNSUHH-QZTJIDSGSA-N 1 1 270.420 3.373 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCC[C@@H]1CCOC1 ZINC000825143703 633332622 /nfs/dbraw/zinc/33/26/22/633332622.db2.gz ICOSKEYVVUMLHY-SNVBAGLBSA-N 1 1 287.762 3.091 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2C(C)(C)O)cc1Cl ZINC000825501503 633358719 /nfs/dbraw/zinc/35/87/19/633358719.db2.gz QMHJLVWQCONYNI-CQSZACIVSA-N 1 1 283.799 3.089 20 10 CGCDMO Cc1cc(O)c(CN[C@@H](C)C[N@@H+](C)C(C)C)cc1Cl ZINC000825943890 633390467 /nfs/dbraw/zinc/39/04/67/633390467.db2.gz LTHMLSYLRSAMCN-LBPRGKRZSA-N 1 1 284.831 3.172 20 10 CGCDMO C[C@@]1(C2CC2)CN(Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000826878435 633439725 /nfs/dbraw/zinc/43/97/25/633439725.db2.gz ZALZMZBWFBOCTN-HNNXBMFYSA-N 1 1 299.773 3.186 20 10 CGCDMO CCC[N@H+](C)CC(C)(C)NCc1cccc(CC)c1O ZINC000827722204 633512670 /nfs/dbraw/zinc/51/26/70/633512670.db2.gz CJGUGWYFEQVBFP-UHFFFAOYSA-N 1 1 278.440 3.165 20 10 CGCDMO CCC[N@@H+](C)CC(C)(C)NCc1cccc(CC)c1O ZINC000827722204 633512671 /nfs/dbraw/zinc/51/26/71/633512671.db2.gz CJGUGWYFEQVBFP-UHFFFAOYSA-N 1 1 278.440 3.165 20 10 CGCDMO CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)C[C@H]1CCOC1 ZINC000835026231 634325569 /nfs/dbraw/zinc/32/55/69/634325569.db2.gz SMAFOAWAQPZWKB-FUTAKVPZSA-N 1 1 288.435 3.124 20 10 CGCDMO COC[C@@H]1CCC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835028917 634326466 /nfs/dbraw/zinc/32/64/66/634326466.db2.gz NGSSRDOUHRVJOD-XQDHMALISA-N 1 1 288.435 3.124 20 10 CGCDMO COCC1=CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835044448 634331699 /nfs/dbraw/zinc/33/16/99/634331699.db2.gz CWOMOFLRBNDUMQ-SNAWJCMRSA-N 1 1 286.419 3.044 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCCSCC2)cc1 ZINC000835045363 634332194 /nfs/dbraw/zinc/33/21/94/634332194.db2.gz VILSWGITXLYWJO-HYXAFXHYSA-N 1 1 276.449 3.205 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H]2C(C)(C)O)cc1 ZINC000835048212 634334479 /nfs/dbraw/zinc/33/44/79/634334479.db2.gz NUGVKHCNGVWUIQ-UABRLCRWSA-N 1 1 288.435 3.001 20 10 CGCDMO CCC1C[NH+](Cc2cc(C)cc(Br)c2O)C1 ZINC000835075750 634343052 /nfs/dbraw/zinc/34/30/52/634343052.db2.gz ZKYDRAGLGHFCGF-UHFFFAOYSA-N 1 1 284.197 3.305 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)c(O)c1 ZINC000876770364 634896452 /nfs/dbraw/zinc/89/64/52/634896452.db2.gz DONJQNMMLPQUEO-QGZVFWFLSA-N 1 1 283.371 3.274 20 10 CGCDMO Cc1ccc(C[N@H+]2CCOC[C@@H]2c2ccccc2)c(O)c1 ZINC000876770364 634896455 /nfs/dbraw/zinc/89/64/55/634896455.db2.gz DONJQNMMLPQUEO-QGZVFWFLSA-N 1 1 283.371 3.274 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCS[C@H](C)CC1 ZINC000877476151 635051590 /nfs/dbraw/zinc/05/15/90/635051590.db2.gz WQXQLUPFGGNLJK-GFCCVEGCSA-N 1 1 251.395 3.028 20 10 CGCDMO Cc1cccc(O)c1C[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000877500063 635062310 /nfs/dbraw/zinc/06/23/10/635062310.db2.gz YJFXNGIADNVQOX-UHFFFAOYSA-N 1 1 285.391 3.246 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1ccc(F)cc1O ZINC000840895236 635078095 /nfs/dbraw/zinc/07/80/95/635078095.db2.gz ZGUIQMNIYBTAKB-WHOFXGATSA-N 1 1 281.371 3.123 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1cccc(O)c1 ZINC000840907090 635080211 /nfs/dbraw/zinc/08/02/11/635080211.db2.gz ADVHMXZNWIXBIO-UHFFFAOYSA-N 1 1 284.403 3.399 20 10 CGCDMO Cc1ncc(C[N@H+](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000840910761 635080277 /nfs/dbraw/zinc/08/02/77/635080277.db2.gz LHLSYGVCKRPBST-UHFFFAOYSA-N 1 1 289.448 3.458 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000877542141 635080548 /nfs/dbraw/zinc/08/05/48/635080548.db2.gz WNBZUWUUQQPQAS-DLBZAZTESA-N 1 1 287.403 3.234 20 10 CGCDMO Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c(O)c1 ZINC000877564049 635093475 /nfs/dbraw/zinc/09/34/75/635093475.db2.gz WRXLQARGXFHYJZ-BRWVUGGUSA-N 1 1 289.419 3.216 20 10 CGCDMO CC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@H](O)C(C)C ZINC000840967566 635095644 /nfs/dbraw/zinc/09/56/44/635095644.db2.gz HRWZYCVZGYOPRK-BXUZGUMPSA-N 1 1 289.778 3.070 20 10 CGCDMO Cc1cc(O)c(CNC[C@H]([NH3+])c2ccccc2)c(Cl)c1 ZINC000841036783 635111366 /nfs/dbraw/zinc/11/13/66/635111366.db2.gz MLOATJWDBSEIPT-HNNXBMFYSA-N 1 1 290.794 3.144 20 10 CGCDMO Nc1ccc([NH2+]CCCc2ccc3c(c2)CCO3)cc1 ZINC000841040225 635112586 /nfs/dbraw/zinc/11/25/86/635112586.db2.gz IZWXGVLYJPXDSG-UHFFFAOYSA-N 1 1 268.360 3.248 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)c(O)c1 ZINC000877653333 635133151 /nfs/dbraw/zinc/13/31/51/635133151.db2.gz HGRADEVHZYCTAZ-IBGZPJMESA-N 1 1 297.398 3.184 20 10 CGCDMO Oc1cccc2c1C[N@H+](Cc1cccc3c1OCCCO3)C2 ZINC000877703755 635155598 /nfs/dbraw/zinc/15/55/98/635155598.db2.gz SKANERVFZBHFML-UHFFFAOYSA-N 1 1 297.354 3.069 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1cccc3c1OCCCO3)C2 ZINC000877703755 635155601 /nfs/dbraw/zinc/15/56/01/635155601.db2.gz SKANERVFZBHFML-UHFFFAOYSA-N 1 1 297.354 3.069 20 10 CGCDMO CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841744612 635222138 /nfs/dbraw/zinc/22/21/38/635222138.db2.gz JGMKXRJWXRLLHE-OLZOCXBDSA-N 1 1 296.842 3.428 20 10 CGCDMO COCC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841746789 635223724 /nfs/dbraw/zinc/22/37/24/635223724.db2.gz LGVSODUFQCQZOZ-NXEZZACHSA-N 1 1 257.761 3.121 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(Cl)cc1O ZINC000841747945 635223900 /nfs/dbraw/zinc/22/39/00/635223900.db2.gz FSGMJMXXIOEKEL-FOGDFJRCSA-N 1 1 269.772 3.264 20 10 CGCDMO C[C@H]([NH2+]CC1CCOCC1)c1ccc(Cl)cc1O ZINC000841746647 635224148 /nfs/dbraw/zinc/22/41/48/635224148.db2.gz JQTJRCGDDCYLQH-JTQLQIEISA-N 1 1 269.772 3.123 20 10 CGCDMO C[C@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(Cl)cc1O ZINC000841751268 635225172 /nfs/dbraw/zinc/22/51/72/635225172.db2.gz HABDMAMOYYJKNJ-NSHDSACASA-N 1 1 282.815 3.181 20 10 CGCDMO C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841751180 635226045 /nfs/dbraw/zinc/22/60/45/635226045.db2.gz MEUPTKPFIRUBLD-GHMZBOCLSA-N 1 1 285.815 3.493 20 10 CGCDMO C[C@@H]([NH2+]CCCCCCO)c1ccc(Cl)cc1O ZINC000841752038 635226058 /nfs/dbraw/zinc/22/60/58/635226058.db2.gz QKFCHICATHKWBJ-LLVKDONJSA-N 1 1 271.788 3.249 20 10 CGCDMO CCc1nnc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)s1 ZINC000841758335 635231067 /nfs/dbraw/zinc/23/10/67/635231067.db2.gz SHIBIHYECCABLD-QMMMGPOBSA-N 1 1 297.811 3.310 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H]1CCO[C@@H]1C ZINC000878150427 635379899 /nfs/dbraw/zinc/37/98/99/635379899.db2.gz DCHPKFQNWPQRKZ-ZIAGYGMSSA-N 1 1 263.381 3.029 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)CC2(CCC2)O1 ZINC000842644679 635426205 /nfs/dbraw/zinc/42/62/05/635426205.db2.gz SSGJQTTXWBUHLU-ZDUSSCGKSA-N 1 1 287.403 3.024 20 10 CGCDMO Cc1cc(-c2nc(C[NH3+])no2)c(C)n1-c1cc(C)cc(C)c1 ZINC000842650794 635428137 /nfs/dbraw/zinc/42/81/37/635428137.db2.gz JVWLJSUXPRGMKK-UHFFFAOYSA-N 1 1 296.374 3.220 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843045227 635550487 /nfs/dbraw/zinc/55/04/87/635550487.db2.gz QEMNIFQEERHYQP-DOMZBBRYSA-N 1 1 294.826 3.010 20 10 CGCDMO CCC[N@@H+](Cc1cccc(N)c1)Cc1ccccc1O ZINC000843358724 635653453 /nfs/dbraw/zinc/65/34/53/635653453.db2.gz ZBDACVWAVKYJDC-UHFFFAOYSA-N 1 1 270.376 3.387 20 10 CGCDMO CC(C)O[C@@H]1CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000843412982 635661763 /nfs/dbraw/zinc/66/17/63/635661763.db2.gz CPDQTFDMGQFIJL-OOFWQKGWSA-N 1 1 288.435 3.265 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1C ZINC000844757637 635959273 /nfs/dbraw/zinc/95/92/73/635959273.db2.gz FUEOPXKTADYUAT-CQSZACIVSA-N 1 1 267.319 3.240 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@]3(CC3(F)F)C1)CCC2 ZINC000844760346 635959664 /nfs/dbraw/zinc/95/96/64/635959664.db2.gz QGUDTHHNBXKXDL-OAHLLOKOSA-N 1 1 279.330 3.112 20 10 CGCDMO CC[N@@H+](Cc1cc(C)c(C)cc1O)[C@@H]1CCCOC1 ZINC000846053168 636139316 /nfs/dbraw/zinc/13/93/16/636139316.db2.gz SRUFMHSFGLAWBO-OAHLLOKOSA-N 1 1 263.381 3.010 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000129964867 636401752 /nfs/dbraw/zinc/40/17/52/636401752.db2.gz KTYYERZAHJMPLP-LLVKDONJSA-N 1 1 281.783 3.047 20 10 CGCDMO CC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccncc1 ZINC000883016832 636507642 /nfs/dbraw/zinc/50/76/42/636507642.db2.gz NMASKQQATFOZRQ-AWEZNQCLSA-N 1 1 278.302 3.306 20 10 CGCDMO CCc1cccc(C[N@@H+](C)CCc2nccs2)c1O ZINC000848889630 636678009 /nfs/dbraw/zinc/67/80/09/636678009.db2.gz NSKZCAHYVLRBSR-UHFFFAOYSA-N 1 1 276.405 3.086 20 10 CGCDMO CCc1cccc(C[N@H+]2C[C@@H](N3CCCC3)C[C@H]2C)c1O ZINC000848909879 636686173 /nfs/dbraw/zinc/68/61/73/636686173.db2.gz BYVOYNBBQOJHJA-PBHICJAKSA-N 1 1 288.435 3.013 20 10 CGCDMO CCc1cccc(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1O ZINC000848909879 636686176 /nfs/dbraw/zinc/68/61/76/636686176.db2.gz BYVOYNBBQOJHJA-PBHICJAKSA-N 1 1 288.435 3.013 20 10 CGCDMO CCc1cccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)c1O ZINC000848910319 636686593 /nfs/dbraw/zinc/68/65/93/636686593.db2.gz IUIPHKYTOFUDDN-MRXNPFEDSA-N 1 1 285.391 3.405 20 10 CGCDMO CCc1nocc1C[N@@H+](C)Cc1cccc(CC)c1O ZINC000848914733 636689114 /nfs/dbraw/zinc/68/91/14/636689114.db2.gz RULHWGXIEYCTRX-UHFFFAOYSA-N 1 1 274.364 3.137 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+]2Cc3ccc(OC)cc3C2)c1 ZINC000848926032 636698797 /nfs/dbraw/zinc/69/87/97/636698797.db2.gz PXYXGWIQCLXQNE-UHFFFAOYSA-N 1 1 299.370 3.315 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2Cc3ccc(OC)cc3C2)c1 ZINC000848926032 636698800 /nfs/dbraw/zinc/69/88/00/636698800.db2.gz PXYXGWIQCLXQNE-UHFFFAOYSA-N 1 1 299.370 3.315 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000883363905 636704692 /nfs/dbraw/zinc/70/46/92/636704692.db2.gz RDQKMKPVFRSMDD-SNVBAGLBSA-N 1 1 299.773 3.376 20 10 CGCDMO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2cscn2)c1 ZINC000850359290 637028203 /nfs/dbraw/zinc/02/82/03/637028203.db2.gz CTMHDUWHIGUQFF-JTQLQIEISA-N 1 1 278.377 3.098 20 10 CGCDMO Cc1ccc(O)c(CN[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000850381391 637040912 /nfs/dbraw/zinc/04/09/12/637040912.db2.gz DCKKVABTAPRMAH-INIZCTEOSA-N 1 1 288.435 3.197 20 10 CGCDMO Cc1ccc(O)c(CN[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000850381391 637040916 /nfs/dbraw/zinc/04/09/16/637040916.db2.gz DCKKVABTAPRMAH-INIZCTEOSA-N 1 1 288.435 3.197 20 10 CGCDMO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)n3ncnc32)cc1 ZINC000850499451 637092180 /nfs/dbraw/zinc/09/21/80/637092180.db2.gz PUGOYABHGIDPQK-DVOMOZLQSA-N 1 1 299.422 3.091 20 10 CGCDMO C[C@@H](CN1CCC(C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000850544456 637115731 /nfs/dbraw/zinc/11/57/31/637115731.db2.gz XGDHLCMKLIUNPN-KBPBESRZSA-N 1 1 294.414 3.302 20 10 CGCDMO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000850571099 637128645 /nfs/dbraw/zinc/12/86/45/637128645.db2.gz MNXTWXRNGYHQDY-KDDOJWQBSA-N 1 1 289.297 3.239 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H]1CC[C@@H](OC)C1 ZINC000851793048 637505745 /nfs/dbraw/zinc/50/57/45/637505745.db2.gz VUIGTHLCOAMFET-HUUCEWRRSA-N 1 1 263.381 3.172 20 10 CGCDMO CCC[N@@H+](Cc1nc(C)oc1C)Cc1ccccc1O ZINC000851791931 637505767 /nfs/dbraw/zinc/50/57/67/637505767.db2.gz JGGCELJMDHSHOU-UHFFFAOYSA-N 1 1 274.364 3.409 20 10 CGCDMO Cc1ccc(CC[NH2+][C@@H](C)c2c(O)cccc2F)o1 ZINC000886502833 637543976 /nfs/dbraw/zinc/54/39/76/637543976.db2.gz QBKXSPIUVAILKR-NSHDSACASA-N 1 1 263.312 3.326 20 10 CGCDMO C[C@H](C[NH2+][C@@H](C)c1c(O)cccc1F)c1ccncc1 ZINC000886536730 637561782 /nfs/dbraw/zinc/56/17/82/637561782.db2.gz NVDZGEVPDUOVSJ-NEPJUHHUSA-N 1 1 274.339 3.381 20 10 CGCDMO CCC1(O)CCC([NH2+][C@@H](C)c2c(O)cccc2F)CC1 ZINC000886543822 637572370 /nfs/dbraw/zinc/57/23/70/637572370.db2.gz VVKOOBKGWFKPSH-FZWSLVFFSA-N 1 1 281.371 3.266 20 10 CGCDMO C[C@H]([NH2+]CCCc1nccs1)c1c(O)cccc1F ZINC000886547692 637573414 /nfs/dbraw/zinc/57/34/14/637573414.db2.gz PXXDMINMYMFVBQ-JTQLQIEISA-N 1 1 280.368 3.271 20 10 CGCDMO C[C@H]([NH2+][C@H](CO)c1cccc(F)c1)c1c(O)cccc1F ZINC000886548140 637574029 /nfs/dbraw/zinc/57/40/29/637574029.db2.gz XWKSKYNKICCJJX-IINYFYTJSA-N 1 1 293.313 3.055 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1c(O)cccc1F ZINC000886552360 637578509 /nfs/dbraw/zinc/57/85/09/637578509.db2.gz ZWTLWKNRYJQPPH-NEPJUHHUSA-N 1 1 279.355 3.284 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)c1c(O)cccc1F)[C@H]1CCCO1 ZINC000886557136 637580115 /nfs/dbraw/zinc/58/01/15/637580115.db2.gz ULCXINIKFASXGZ-VHRBIJSZSA-N 1 1 267.344 3.140 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1c(O)cccc1F ZINC000886588102 637595623 /nfs/dbraw/zinc/59/56/23/637595623.db2.gz LGGYRFRFDXZILN-VHSXEESVSA-N 1 1 278.302 3.477 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1c(O)cccc1F ZINC000886624815 637614093 /nfs/dbraw/zinc/61/40/93/637614093.db2.gz AONPFYBEEKJCPP-OPRDCNLKSA-N 1 1 255.358 3.076 20 10 CGCDMO COC1([C@@H](C)[NH2+][C@@H](C)c2c(O)cccc2F)CCC1 ZINC000886627056 637616565 /nfs/dbraw/zinc/61/65/65/637616565.db2.gz RPRLEVDQCJFSSC-WDEREUQCSA-N 1 1 267.344 3.140 20 10 CGCDMO Cc1cnc(CC[NH2+][C@@H](C)c2c(O)cccc2F)c(C)c1 ZINC000886633612 637619112 /nfs/dbraw/zinc/61/91/12/637619112.db2.gz ZIICIHDDWMXQNJ-ZDUSSCGKSA-N 1 1 288.366 3.436 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1c(O)cccc1F ZINC000886635019 637621027 /nfs/dbraw/zinc/62/10/27/637621027.db2.gz STHXXQNVDDRUSP-NEPJUHHUSA-N 1 1 280.387 3.055 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1c(O)cccc1F ZINC000886651547 637631916 /nfs/dbraw/zinc/63/19/16/637631916.db2.gz JEZCPNFIMPTXDE-XFJVYGCCSA-N 1 1 279.355 3.284 20 10 CGCDMO CO[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CC[C@@H]1C ZINC000220977597 637716889 /nfs/dbraw/zinc/71/68/89/637716889.db2.gz OUNYXWFBDMXBGU-SCLBCKFNSA-N 1 1 285.387 3.402 20 10 CGCDMO CS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2O)C1 ZINC000300419423 637837961 /nfs/dbraw/zinc/83/79/61/637837961.db2.gz VZXWLUPHWUHEAU-YUSALJHKSA-N 1 1 269.385 3.466 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@H]3COC[C@]3(C)C2)cc1C(C)C ZINC000853566101 637867677 /nfs/dbraw/zinc/86/76/77/637867677.db2.gz LSQCUVNGKBPIQK-YJBOKZPZSA-N 1 1 289.419 3.292 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000853578265 637868682 /nfs/dbraw/zinc/86/86/82/637868682.db2.gz JOUDLNAJJJNBHG-ZIAGYGMSSA-N 1 1 253.345 3.387 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H](C3CCC3)C1)OCO2 ZINC000853590068 637870288 /nfs/dbraw/zinc/87/02/88/637870288.db2.gz QNZUEYGDZOEONF-ZDUSSCGKSA-N 1 1 289.375 3.133 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]3COC[C@@H]3C2)cc1C(C)C ZINC000853585616 637870394 /nfs/dbraw/zinc/87/03/94/637870394.db2.gz HSFKYWRXAKVSOE-HOCLYGCPSA-N 1 1 289.419 3.292 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(Cl)ccc1[O-] ZINC000925882519 638643537 /nfs/dbraw/zinc/64/35/37/638643537.db2.gz NYNHNESATUUXJU-OSMZGAPFSA-N 1 1 282.815 3.214 20 10 CGCDMO C/C=C/C[NH2+]Cc1cc(C)cc(Br)c1O ZINC000858290958 638673275 /nfs/dbraw/zinc/67/32/75/638673275.db2.gz KPVAXERXXNMNAO-ONEGZZNKSA-N 1 1 270.170 3.129 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCS[C@H](C)C1)c1ccc(F)cc1O ZINC000927032770 638834023 /nfs/dbraw/zinc/83/40/23/638834023.db2.gz PIOQBIQRXSEHGK-SCVCMEIPSA-N 1 1 269.385 3.466 20 10 CGCDMO CCC[N@@H+](CCc1ccns1)Cc1ccccc1O ZINC000929752684 638947063 /nfs/dbraw/zinc/94/70/63/638947063.db2.gz DHXLMRRDQIFJOP-UHFFFAOYSA-N 1 1 276.405 3.303 20 10 CGCDMO CC(C)c1nsc(C[NH2+][C@H](C)c2ccccc2O)n1 ZINC000931554228 639170272 /nfs/dbraw/zinc/17/02/72/639170272.db2.gz MPZWLNBCXJBZBZ-SNVBAGLBSA-N 1 1 277.393 3.218 20 10 CGCDMO C[C@H]1CSCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000934299913 639575796 /nfs/dbraw/zinc/57/57/96/639575796.db2.gz XXPSWCMQSKRCRZ-ZDUSSCGKSA-N 1 1 264.438 3.080 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H]2CCCO2)cc1 ZINC000159827917 640072279 /nfs/dbraw/zinc/07/22/79/640072279.db2.gz SKBZRQKCTOYMQG-KRWDZBQOSA-N 1 1 276.424 3.144 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccc(F)cc1O ZINC000187868046 640102710 /nfs/dbraw/zinc/10/27/10/640102710.db2.gz NVKPHNQTXYUWQK-JQWIXIFHSA-N 1 1 267.344 3.140 20 10 CGCDMO Cc1cccc(C[N@@H+]2CCC[C@]2(CO)CC(C)C)c1O ZINC000188037703 640116133 /nfs/dbraw/zinc/11/61/33/640116133.db2.gz OOJYJCSIFLDLEN-QGZVFWFLSA-N 1 1 277.408 3.074 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)cc1 ZINC000093483246 640772629 /nfs/dbraw/zinc/77/26/29/640772629.db2.gz GMSGVDVSQAPTAW-CRAIPNDOSA-N 1 1 290.451 3.268 20 10 CGCDMO C[N@@H+](Cc1cc(Br)ccc1O)C1CCC1 ZINC000093475649 640772678 /nfs/dbraw/zinc/77/26/78/640772678.db2.gz PEMYCJXCRCEOGH-UHFFFAOYSA-N 1 1 270.170 3.139 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)CCc2cccs2)c1 ZINC000093685547 640779759 /nfs/dbraw/zinc/77/97/59/640779759.db2.gz ZKNFYXNEQQRODB-UHFFFAOYSA-N 1 1 261.390 3.437 20 10 CGCDMO CC(C)N(CC[NH2+][C@H](C)c1cc(F)ccc1O)C(C)C ZINC000094616572 640799133 /nfs/dbraw/zinc/79/91/33/640799133.db2.gz FINUQACSIPWCQM-CYBMUJFWSA-N 1 1 282.403 3.301 20 10 CGCDMO Oc1ccc(CNc2[nH+]ccc3ccccc32)cc1O ZINC001158993994 806027249 /nfs/dbraw/zinc/02/72/49/806027249.db2.gz BCKYGAQLZOQCLL-UHFFFAOYSA-N 1 1 266.300 3.258 20 10 CGCDMO Nc1ccc(NC2=CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001159485245 806112303 /nfs/dbraw/zinc/11/23/03/806112303.db2.gz IIHSLXBTYOFILZ-UHFFFAOYSA-N 1 1 279.387 3.471 20 10 CGCDMO CC(=O)c1cc(F)cc(C[NH+]2C[C@H](C)C[C@@H](C)C2)c1O ZINC000037322464 798866660 /nfs/dbraw/zinc/86/66/60/798866660.db2.gz GQLIHQRCBJGGJZ-GHMZBOCLSA-N 1 1 279.355 3.212 20 10 CGCDMO CC[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000037322989 798866734 /nfs/dbraw/zinc/86/67/34/798866734.db2.gz MNYOOGHXWWNREK-CQSZACIVSA-N 1 1 279.355 3.498 20 10 CGCDMO CN(C)c1ccc(C[N@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC000053906511 798899201 /nfs/dbraw/zinc/89/92/01/798899201.db2.gz HVHMWWHOKNTWGN-UHFFFAOYSA-N 1 1 297.377 3.395 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC000053906511 798899203 /nfs/dbraw/zinc/89/92/03/798899203.db2.gz HVHMWWHOKNTWGN-UHFFFAOYSA-N 1 1 297.377 3.395 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc3c(c2)CCO3)cc1 ZINC000155189147 799061913 /nfs/dbraw/zinc/06/19/13/799061913.db2.gz PMEVJQLOTFPYAW-UHFFFAOYSA-N 1 1 296.414 3.320 20 10 CGCDMO CC(C)OCCC[N@@H+](C)Cc1c(O)cccc1Cl ZINC000382807218 799396735 /nfs/dbraw/zinc/39/67/35/799396735.db2.gz NMJRNCHMZQTFIT-UHFFFAOYSA-N 1 1 271.788 3.293 20 10 CGCDMO C[NH+](C)CCCC(C)(C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000387272536 799444547 /nfs/dbraw/zinc/44/45/47/799444547.db2.gz DRXPKZGYBSNBIA-UHFFFAOYSA-N 1 1 284.831 3.256 20 10 CGCDMO CC[C@@H]([NH2+]Cc1nn(C)cc1Cl)c1ccccc1O ZINC000393330576 799486594 /nfs/dbraw/zinc/48/65/94/799486594.db2.gz RBYPMGGUMRJRNQ-GFCCVEGCSA-N 1 1 279.771 3.020 20 10 CGCDMO CC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)[C@@H](C)CO1 ZINC000403863307 799572497 /nfs/dbraw/zinc/57/24/97/799572497.db2.gz ZXHZBJGGLWCBMZ-GWCFXTLKSA-N 1 1 269.772 3.045 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)[C@@H](C)CO1 ZINC000403863307 799572500 /nfs/dbraw/zinc/57/25/00/799572500.db2.gz ZXHZBJGGLWCBMZ-GWCFXTLKSA-N 1 1 269.772 3.045 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1ccc(F)cc1O ZINC000688885153 799757560 /nfs/dbraw/zinc/75/75/60/799757560.db2.gz SLIVOWDEKXAJLQ-NQBHXWOUSA-N 1 1 267.344 3.140 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC000692058703 799791432 /nfs/dbraw/zinc/79/14/32/799791432.db2.gz BRTRLWAJUWCKEU-NSHDSACASA-N 1 1 269.772 3.047 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1ccc(F)cc1O ZINC000693908963 799818229 /nfs/dbraw/zinc/81/82/29/799818229.db2.gz CLBNUSQITYOUBW-WCQYABFASA-N 1 1 280.387 3.055 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C[C@H](C)O1 ZINC000694870386 799823729 /nfs/dbraw/zinc/82/37/29/799823729.db2.gz JDVVMYCSCDMQRT-MNOVXSKESA-N 1 1 269.772 3.045 20 10 CGCDMO CC(C)O[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000701719965 799892906 /nfs/dbraw/zinc/89/29/06/799892906.db2.gz KKZBEMLRFAMITQ-NSHDSACASA-N 1 1 269.772 3.045 20 10 CGCDMO C[N@H+](CC[C@@H]1CC1(Cl)Cl)c1ccc(N)cc1 ZINC000702070119 799903894 /nfs/dbraw/zinc/90/38/94/799903894.db2.gz JZHJLLHKWZETNR-SECBINFHSA-N 1 1 259.180 3.289 20 10 CGCDMO C[N@@H+](CC[C@@H]1CC1(Cl)Cl)c1ccc(N)cc1 ZINC000702070119 799903899 /nfs/dbraw/zinc/90/38/99/799903899.db2.gz JZHJLLHKWZETNR-SECBINFHSA-N 1 1 259.180 3.289 20 10 CGCDMO COC1CCC([NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000703836008 799931727 /nfs/dbraw/zinc/93/17/27/799931727.db2.gz NVNVSIWZQGSEFA-PKSQDBQZSA-N 1 1 267.344 3.140 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@]12C[C@@H]1CCCC2 ZINC000708495432 799991026 /nfs/dbraw/zinc/99/10/26/799991026.db2.gz AWPUCSQBMYKKEA-XHDPSFHLSA-N 1 1 267.319 3.340 20 10 CGCDMO C[NH+](C)C1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000715562351 800139041 /nfs/dbraw/zinc/13/90/41/800139041.db2.gz OMKRFUKDQPYYSQ-UHFFFAOYSA-N 1 1 282.815 3.008 20 10 CGCDMO C[C@H]([NH2+]CC[C@H]1CC(C)(C)CO1)c1ccc(F)cc1O ZINC000717274610 800199269 /nfs/dbraw/zinc/19/92/69/800199269.db2.gz SAMUZXVHLVROTG-AAEUAGOBSA-N 1 1 281.371 3.387 20 10 CGCDMO C[C@@H]([NH2+]Cc1ncc(Cl)s1)c1cc(F)ccc1O ZINC000719400673 800238343 /nfs/dbraw/zinc/23/83/43/800238343.db2.gz ATKUTOKBVBPCGP-SSDOTTSWSA-N 1 1 286.759 3.492 20 10 CGCDMO C[N@@H+](Cc1ccns1)Cc1cc2c(cc1O)CCCC2 ZINC001119333931 802650022 /nfs/dbraw/zinc/65/00/22/802650022.db2.gz FDOQUPDZWUBSCE-UHFFFAOYSA-N 1 1 288.416 3.360 20 10 CGCDMO c1c(C[NH2+]Cc2ccc(N3CCCC3)cc2)onc1C1CC1 ZINC001119440535 802664888 /nfs/dbraw/zinc/66/48/88/802664888.db2.gz NWXNIEPOFUDMOY-UHFFFAOYSA-N 1 1 297.402 3.442 20 10 CGCDMO Nc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1 ZINC001120371444 802742325 /nfs/dbraw/zinc/74/23/25/802742325.db2.gz GDLULIAWERUTCA-RDJZCZTQSA-N 1 1 274.408 3.050 20 10 CGCDMO C[C@H]1CC[N@H+](Cc2c(O)cccc2F)CCC1(F)F ZINC001137832019 803777226 /nfs/dbraw/zinc/77/72/26/803777226.db2.gz XCPXPUWKKWAZPN-JTQLQIEISA-N 1 1 273.298 3.399 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2c(O)cccc2F)CCC1(F)F ZINC001137832019 803777236 /nfs/dbraw/zinc/77/72/36/803777236.db2.gz XCPXPUWKKWAZPN-JTQLQIEISA-N 1 1 273.298 3.399 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@@](C)(CO)C2)c(C)n1-c1ccccc1 ZINC001137854497 803786679 /nfs/dbraw/zinc/78/66/79/803786679.db2.gz YXYRMEUKPPLSMW-LJQANCHMSA-N 1 1 298.430 3.298 20 10 CGCDMO Cc1c(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c2ccccc2n1C ZINC001138252554 803880021 /nfs/dbraw/zinc/88/00/21/803880021.db2.gz LHXOZOVHFQNFRA-SHTZXODSSA-N 1 1 286.419 3.222 20 10 CGCDMO Cc1c(C[N@H+]2CCC[C@H](CCO)C2)c2ccccc2n1C ZINC001138258236 803884051 /nfs/dbraw/zinc/88/40/51/803884051.db2.gz NERBHVCSTAINIG-OAHLLOKOSA-N 1 1 286.419 3.081 20 10 CGCDMO Cc1c(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2n1C ZINC001138258649 803884144 /nfs/dbraw/zinc/88/41/44/803884144.db2.gz XNNVSCPRVCFPEX-CVEARBPZSA-N 1 1 297.446 3.155 20 10 CGCDMO Cc1c(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c2ccccc2n1C ZINC001138258022 803884358 /nfs/dbraw/zinc/88/43/58/803884358.db2.gz ISDJSZYWVJYTKD-KBXCAEBGSA-N 1 1 284.403 3.098 20 10 CGCDMO Cc1c(C[N@H+]2CCC(=O)C(C)(C)C2)c2ccccc2n1C ZINC001138258325 803885504 /nfs/dbraw/zinc/88/55/04/803885504.db2.gz QBPDJFCRFHPGSL-UHFFFAOYSA-N 1 1 284.403 3.288 20 10 CGCDMO CC(C)O[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138356093 803899938 /nfs/dbraw/zinc/89/99/38/803899938.db2.gz HHTZSBOMXAMKQV-QGZVFWFLSA-N 1 1 288.435 3.068 20 10 CGCDMO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138355786 803900166 /nfs/dbraw/zinc/90/01/66/803900166.db2.gz CTZYVZDRSPDTHS-KRWDZBQOSA-N 1 1 286.419 3.013 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CCC4(CCC4)C3)ccc21 ZINC001138357015 803901139 /nfs/dbraw/zinc/90/11/39/803901139.db2.gz YNWYTEHXKBRIFP-UHFFFAOYSA-N 1 1 270.420 3.445 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C2CC2)c(OC)c1 ZINC001138386228 803912782 /nfs/dbraw/zinc/91/27/82/803912782.db2.gz KICMKYVMVNFSCG-UHFFFAOYSA-N 1 1 262.397 3.136 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H](C)C1 ZINC001138498923 803953001 /nfs/dbraw/zinc/95/30/01/803953001.db2.gz MXMMBFKBLDODAJ-HOTGVXAUSA-N 1 1 288.435 3.144 20 10 CGCDMO Cc1cc(C[N@H+]2CC(C)(C)C[C@@]2(C)CO)ccc1N(C)C ZINC001139669591 804245238 /nfs/dbraw/zinc/24/52/38/804245238.db2.gz CAMRGBWBCZILQV-SFHVURJKSA-N 1 1 290.451 3.044 20 10 CGCDMO Cc1cc(C[N@H+]2C[C@@H](C)C[C@H]2CF)ccc1N(C)C ZINC001139669654 804246417 /nfs/dbraw/zinc/24/64/17/804246417.db2.gz FZIHEIRMQFLPDX-WFASDCNBSA-N 1 1 264.388 3.241 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)C1CCOCC1 ZINC001139670943 804248079 /nfs/dbraw/zinc/24/80/79/804248079.db2.gz GZNOVVGLDJHLKX-UHFFFAOYSA-N 1 1 276.424 3.062 20 10 CGCDMO Cc1cc(C[N@H+]2CCc3cccc(O)c3C2)ccc1N(C)C ZINC001139673912 804248521 /nfs/dbraw/zinc/24/85/21/804248521.db2.gz MZKUPXKVUBXZCC-UHFFFAOYSA-N 1 1 296.414 3.325 20 10 CGCDMO CN(C)c1ccc(CN[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc1 ZINC001246307898 804272317 /nfs/dbraw/zinc/27/23/17/804272317.db2.gz FLYWXVXOYCBNKP-DOTOQJQBSA-N 1 1 289.467 3.009 20 10 CGCDMO O=C(c1ccccc1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140060128 804366527 /nfs/dbraw/zinc/36/65/27/804366527.db2.gz LSWRSJCDOWAFKH-CQSZACIVSA-N 1 1 299.345 3.236 20 10 CGCDMO C[N@@H+](Cc1c[nH]c2cccc(O)c12)Cc1ccccc1O ZINC001140234731 804403108 /nfs/dbraw/zinc/40/31/08/804403108.db2.gz JDHOMZJONDBXDK-UHFFFAOYSA-N 1 1 282.343 3.211 20 10 CGCDMO CC1(C)C[N@@H+](Cc2c(O)cccc2Cl)[C@](C)(CO)C1 ZINC001140337839 804417757 /nfs/dbraw/zinc/41/77/57/804417757.db2.gz IWFAZAVBOPPWFY-HNNXBMFYSA-N 1 1 283.799 3.029 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001140341714 804420653 /nfs/dbraw/zinc/42/06/53/804420653.db2.gz DLJHYGYJJAEKBV-CYBMUJFWSA-N 1 1 295.810 3.294 20 10 CGCDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cc1O ZINC001140465917 804442842 /nfs/dbraw/zinc/44/28/42/804442842.db2.gz UNVZDACJWVDRAE-PBWFPOADSA-N 1 1 281.783 3.187 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1ccc(Cl)cc1O ZINC001140464888 804444112 /nfs/dbraw/zinc/44/41/12/804444112.db2.gz FBBMRMLOCIAOJX-UHFFFAOYSA-N 1 1 277.751 3.383 20 10 CGCDMO Cc1ccn2cc(C[N@H+](C)Cc3cc(C)ccc3O)nc2c1 ZINC001140624419 804478715 /nfs/dbraw/zinc/47/87/15/804478715.db2.gz VZPMPADYVMJATP-UHFFFAOYSA-N 1 1 295.386 3.289 20 10 CGCDMO CC[N@@H+](Cc1ccc2ncn(C)c2c1)Cc1ccccc1O ZINC001140740568 804501610 /nfs/dbraw/zinc/50/16/10/804501610.db2.gz QRMBCPRTGQYIIY-UHFFFAOYSA-N 1 1 295.386 3.301 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CC[C@H]2c2ccccc2)c1O ZINC001140749270 804504439 /nfs/dbraw/zinc/50/44/39/804504439.db2.gz UWIWNSPJVZPCEM-HNNXBMFYSA-N 1 1 269.344 3.353 20 10 CGCDMO CCCC[N@@H+](C)Cc1ccc(N(CC)CC)cc1O ZINC001140851444 804533659 /nfs/dbraw/zinc/53/36/59/804533659.db2.gz JGDKUPPZNFJPBN-UHFFFAOYSA-N 1 1 264.413 3.470 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](CO)CC2)c(Cl)c1 ZINC001140922244 804548556 /nfs/dbraw/zinc/54/85/56/804548556.db2.gz LQJMFVCUSMCBNI-CYBMUJFWSA-N 1 1 296.842 3.000 20 10 CGCDMO CCCO[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140924150 804551129 /nfs/dbraw/zinc/55/11/29/804551129.db2.gz NAPFOLYVQKZGFN-OAHLLOKOSA-N 1 1 296.842 3.407 20 10 CGCDMO Cc1ccc(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c(O)c1 ZINC001140947725 804556651 /nfs/dbraw/zinc/55/66/51/804556651.db2.gz CQKRFOBNCJBOPN-YPMHNXCESA-N 1 1 267.319 3.178 20 10 CGCDMO COCC[C@H]1CCCC[N@H+]1Cc1ccc(C)cc1O ZINC001140949839 804556830 /nfs/dbraw/zinc/55/68/30/804556830.db2.gz MYVYKXRTPWBTOI-OAHLLOKOSA-N 1 1 263.381 3.092 20 10 CGCDMO COC(=O)CC[N@@H+](Cc1ccc(C)cc1O)C1CCCC1 ZINC001140950250 804557828 /nfs/dbraw/zinc/55/78/28/804557828.db2.gz XBWWUYQEQODBJV-UHFFFAOYSA-N 1 1 291.391 3.008 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@H]2c2nccs2)c(O)c1 ZINC001140951053 804558955 /nfs/dbraw/zinc/55/89/55/804558955.db2.gz WHPOJMDCVRRYIM-ZDUSSCGKSA-N 1 1 274.389 3.494 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@H](Oc3cccc(C)n3)C2)c(O)c1 ZINC001140954100 804558966 /nfs/dbraw/zinc/55/89/66/804558966.db2.gz LOWCCWNHXDFWHC-INIZCTEOSA-N 1 1 298.386 3.057 20 10 CGCDMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141143545 804596708 /nfs/dbraw/zinc/59/67/08/804596708.db2.gz DAGVYEHAACNLDC-UONOGXRCSA-N 1 1 274.408 3.136 20 10 CGCDMO CN1CCOc2cc(C[N@@H+](C)C3CCCCC3)ccc21 ZINC001141138919 804596806 /nfs/dbraw/zinc/59/68/06/804596806.db2.gz DGUYKTVBDTYOOX-UHFFFAOYSA-N 1 1 274.408 3.280 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CCCC3(CCCC3)C2)c1 ZINC001141156933 804600343 /nfs/dbraw/zinc/60/03/43/804600343.db2.gz YEOZNQNHPGTIMV-UHFFFAOYSA-N 1 1 261.365 3.254 20 10 CGCDMO C[N@@H+](CCc1ccc(Cl)cc1)Cc1cc(O)ccc1O ZINC001141160422 804601296 /nfs/dbraw/zinc/60/12/96/804601296.db2.gz XYSQEPOIQRWJRZ-UHFFFAOYSA-N 1 1 291.778 3.426 20 10 CGCDMO C[N@@H+](Cc1ccc(F)cc1F)Cc1cc(O)ccc1O ZINC001141160983 804601529 /nfs/dbraw/zinc/60/15/29/804601529.db2.gz LPRXQLRQQLDDNQ-UHFFFAOYSA-N 1 1 279.286 3.008 20 10 CGCDMO C[N@H+](Cc1ccc(F)cc1F)Cc1cc(O)ccc1O ZINC001141160983 804601533 /nfs/dbraw/zinc/60/15/33/804601533.db2.gz LPRXQLRQQLDDNQ-UHFFFAOYSA-N 1 1 279.286 3.008 20 10 CGCDMO Oc1ccc(O)c(C[N@@H+]2CCc3cccc(Cl)c3C2)c1 ZINC001141160799 804601866 /nfs/dbraw/zinc/60/18/66/804601866.db2.gz JAWRPZFKBPSOMN-UHFFFAOYSA-N 1 1 289.762 3.310 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CCc3cccc(Cl)c3C2)c1 ZINC001141160799 804601871 /nfs/dbraw/zinc/60/18/71/804601871.db2.gz JAWRPZFKBPSOMN-UHFFFAOYSA-N 1 1 289.762 3.310 20 10 CGCDMO CC(C)[N@H+](CC(=O)c1ccccc1)Cc1cc(O)ccc1O ZINC001141161229 804602068 /nfs/dbraw/zinc/60/20/68/804602068.db2.gz PLVZHHKUWOHKHC-UHFFFAOYSA-N 1 1 299.370 3.191 20 10 CGCDMO CC(C)[N@@H+](CC(=O)c1ccccc1)Cc1cc(O)ccc1O ZINC001141161229 804602073 /nfs/dbraw/zinc/60/20/73/804602073.db2.gz PLVZHHKUWOHKHC-UHFFFAOYSA-N 1 1 299.370 3.191 20 10 CGCDMO CC[N@@H+](Cc1cccc2c1OCO2)Cc1ccccc1O ZINC001141958655 804681546 /nfs/dbraw/zinc/68/15/46/804681546.db2.gz RDYHDQFFIFNVOZ-UHFFFAOYSA-N 1 1 285.343 3.143 20 10 CGCDMO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cc(F)c(F)cc1O ZINC001142501845 804726033 /nfs/dbraw/zinc/72/60/33/804726033.db2.gz BXMAFXHREBVZAQ-NXEZZACHSA-N 1 1 255.308 3.433 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH+]1CC2(C1)CCCCC2 ZINC001142527556 804733501 /nfs/dbraw/zinc/73/35/01/804733501.db2.gz ZAOXSVSEUBTXKQ-UHFFFAOYSA-N 1 1 267.319 3.437 20 10 CGCDMO CC[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142527059 804733835 /nfs/dbraw/zinc/73/38/35/804733835.db2.gz IYIFYYWDAYBYNR-SNVBAGLBSA-N 1 1 255.308 3.292 20 10 CGCDMO CC[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142527059 804733839 /nfs/dbraw/zinc/73/38/39/804733839.db2.gz IYIFYYWDAYBYNR-SNVBAGLBSA-N 1 1 255.308 3.292 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)CC[C@H]1O ZINC001143103392 804802320 /nfs/dbraw/zinc/80/23/20/804802320.db2.gz BSQRAHGWGDFDSR-XJKSGUPXSA-N 1 1 291.435 3.283 20 10 CGCDMO CC[N@H+](Cc1cccc(C(C)(C)C)c1O)[C@@H](C)C(=O)OC ZINC001143116770 804804932 /nfs/dbraw/zinc/80/49/32/804804932.db2.gz KGFPWFQNROVJPX-LBPRGKRZSA-N 1 1 293.407 3.073 20 10 CGCDMO CC[N@@H+](Cc1cccc(C(C)(C)C)c1O)[C@@H](C)C(=O)OC ZINC001143116770 804804937 /nfs/dbraw/zinc/80/49/37/804804937.db2.gz KGFPWFQNROVJPX-LBPRGKRZSA-N 1 1 293.407 3.073 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CCc3cccc(O)c3C2)c1 ZINC001143618944 804878662 /nfs/dbraw/zinc/87/86/62/804878662.db2.gz HAJUIXIMJDOYQH-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO CC(C)[N@H+](C)Cc1cc(Br)c(F)cc1O ZINC001144299515 804970624 /nfs/dbraw/zinc/97/06/24/804970624.db2.gz YYWIQXHNERPBSH-UHFFFAOYSA-N 1 1 276.149 3.134 20 10 CGCDMO CC(C)[N@@H+](C)Cc1cc(Br)c(F)cc1O ZINC001144299515 804970625 /nfs/dbraw/zinc/97/06/25/804970625.db2.gz YYWIQXHNERPBSH-UHFFFAOYSA-N 1 1 276.149 3.134 20 10 CGCDMO CC1(C)C=Cc2c(O)c(C[N@H+]3CC[C@@H](F)C3)ccc2O1 ZINC001249223222 805115717 /nfs/dbraw/zinc/11/57/17/805115717.db2.gz BRHBVXVQJXYLLY-GFCCVEGCSA-N 1 1 277.339 3.120 20 10 CGCDMO CNc1ccccc1NCCC[N@H+]1CCCC[C@H]1C ZINC001167754629 807244315 /nfs/dbraw/zinc/24/43/15/807244315.db2.gz UACHXNDVEUQOKT-CQSZACIVSA-N 1 1 261.413 3.405 20 10 CGCDMO C[C@@H](c1ccccc1)[N@@H+](CCO)Cc1ccc(N(C)C)cc1 ZINC001168311416 807378955 /nfs/dbraw/zinc/37/89/55/807378955.db2.gz ZSMWVFXYFCUGOY-INIZCTEOSA-N 1 1 298.430 3.308 20 10 CGCDMO COc1ccc(C[C@@H](C)[N@@H+](C)Cc2ccc(N)cc2)cc1 ZINC001262487545 807868146 /nfs/dbraw/zinc/86/81/46/807868146.db2.gz WZYSHLILBAGAPM-CQSZACIVSA-N 1 1 284.403 3.340 20 10 CGCDMO CCCOC1CCC([N@H+]2CCc3cccc(O)c3C2)CC1 ZINC001173100170 808509167 /nfs/dbraw/zinc/50/91/67/808509167.db2.gz BFNAGAHVGFCUBB-UHFFFAOYSA-N 1 1 289.419 3.488 20 10 CGCDMO COc1ccc(N(c2[nH]cc[nH+]2)c2ccc(N)cc2)cc1 ZINC001176085750 809620630 /nfs/dbraw/zinc/62/06/30/809620630.db2.gz XECPGYLPRQBHQM-UHFFFAOYSA-N 1 1 280.331 3.470 20 10 CGCDMO CC[N@H+]1C[C@H](C)N(Cc2cc(Cl)c(C)cc2O)C[C@H]1C ZINC001180141335 809977014 /nfs/dbraw/zinc/97/70/14/809977014.db2.gz GEWQCMGWZPMMFY-OLZOCXBDSA-N 1 1 296.842 3.269 20 10 CGCDMO Cc1occc1C[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001180173859 809981545 /nfs/dbraw/zinc/98/15/45/809981545.db2.gz HIXUDQGXMMRUMT-UHFFFAOYSA-N 1 1 267.275 3.204 20 10 CGCDMO Cc1occc1C[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001180173859 809981549 /nfs/dbraw/zinc/98/15/49/809981549.db2.gz HIXUDQGXMMRUMT-UHFFFAOYSA-N 1 1 267.275 3.204 20 10 CGCDMO Cc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)c(O)c1 ZINC001182183975 810097717 /nfs/dbraw/zinc/09/77/17/810097717.db2.gz LFVDDVULOPCLBD-INIZCTEOSA-N 1 1 257.377 3.465 20 10 CGCDMO CC(C)(C)[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)CCO1 ZINC001184374277 810196714 /nfs/dbraw/zinc/19/67/14/810196714.db2.gz LFMCNSRJKQIVIR-CQSZACIVSA-N 1 1 299.361 3.307 20 10 CGCDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)CCO1 ZINC001184374277 810196719 /nfs/dbraw/zinc/19/67/19/810196719.db2.gz LFMCNSRJKQIVIR-CQSZACIVSA-N 1 1 299.361 3.307 20 10 CGCDMO CCN(CC)[C@H](C)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC001202258884 812053080 /nfs/dbraw/zinc/05/30/80/812053080.db2.gz JWYOPSWGWANIRP-GFCCVEGCSA-N 1 1 284.831 3.174 20 10 CGCDMO Oc1cc2c(cc1O)C[N@@H+](Cc1ccccc1)CCC2 ZINC001203314961 812309053 /nfs/dbraw/zinc/30/90/53/812309053.db2.gz WVTRAWGTKAGWOD-UHFFFAOYSA-N 1 1 269.344 3.046 20 10 CGCDMO COc1cccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001203826197 812472016 /nfs/dbraw/zinc/47/20/16/812472016.db2.gz SKQCPCILDMQPEF-UHFFFAOYSA-N 1 1 299.370 3.055 20 10 CGCDMO Cc1ccccc1C[N@@H+](C)Cc1ccc(O)c(O)c1 ZINC001203878630 812478866 /nfs/dbraw/zinc/47/88/66/812478866.db2.gz IWQYZLCPTRKHKF-UHFFFAOYSA-N 1 1 257.333 3.038 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](F)CC2)cc1 ZINC001203930553 812494616 /nfs/dbraw/zinc/49/46/16/812494616.db2.gz YKSHYMGULIVWFG-CQSZACIVSA-N 1 1 250.361 3.077 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CO)cc1 ZINC001203935332 812496644 /nfs/dbraw/zinc/49/66/44/812496644.db2.gz FBYGCHPPWADZEP-MAUKXSAKSA-N 1 1 290.451 3.126 20 10 CGCDMO COCC[N@@H+](Cc1c(C)cc(OC)cc1O)C1CCCC1 ZINC001204169961 812563616 /nfs/dbraw/zinc/56/36/16/812563616.db2.gz DLQSLKYOOJTTQB-UHFFFAOYSA-N 1 1 293.407 3.100 20 10 CGCDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204234368 812581661 /nfs/dbraw/zinc/58/16/61/812581661.db2.gz ZLSOKRIRBCZSIL-ZBFHGGJFSA-N 1 1 298.430 3.109 20 10 CGCDMO Oc1ccc(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)c(O)c1 ZINC001204275503 812593887 /nfs/dbraw/zinc/59/38/87/812593887.db2.gz UHAAHEUNDCDOQA-QGZVFWFLSA-N 1 1 299.370 3.141 20 10 CGCDMO FC1(F)C[C@@H]2C[N@@H+](Cc3ccc(N4CCCC4)cc3)C[C@@H]21 ZINC001204325629 812614060 /nfs/dbraw/zinc/61/40/60/812614060.db2.gz RNLWFXDEELCOSI-ZBFHGGJFSA-N 1 1 292.373 3.374 20 10 CGCDMO CN(C)c1ccc(CN2CCC[C@@](C)([NH3+])CC2)c(Cl)c1 ZINC001205273871 812926482 /nfs/dbraw/zinc/92/64/82/812926482.db2.gz QOGDJAYYVGQRCH-MRXNPFEDSA-N 1 1 295.858 3.109 20 10 CGCDMO C[C@H]1CC[C@H](CN)[N@@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001205841836 813104484 /nfs/dbraw/zinc/10/44/84/813104484.db2.gz LJAOBMZBDSQMAA-XJKSGUPXSA-N 1 1 290.451 3.249 20 10 CGCDMO C[C@H]1CC[C@H](C[NH3+])N(Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001205841836 813104486 /nfs/dbraw/zinc/10/44/86/813104486.db2.gz LJAOBMZBDSQMAA-XJKSGUPXSA-N 1 1 290.451 3.249 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCC[C@H]1C[NH3+] ZINC001206014552 813166654 /nfs/dbraw/zinc/16/66/54/813166654.db2.gz XOAWAOPJEWDUGV-ZBFHGGJFSA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCC[C@H]1C[NH3+] ZINC001206014552 813166657 /nfs/dbraw/zinc/16/66/57/813166657.db2.gz XOAWAOPJEWDUGV-ZBFHGGJFSA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@@H]1C[NH2+]CCN(Cc2cccc(-c3ccccc3)c2O)C1 ZINC001206276264 813266718 /nfs/dbraw/zinc/26/67/18/813266718.db2.gz DELCJRAXHDAKPH-OAHLLOKOSA-N 1 1 296.414 3.101 20 10 CGCDMO CC[N@@H+](Cc1cnc(C)s1)Cc1ccccc1O ZINC001207062087 813476742 /nfs/dbraw/zinc/47/67/42/813476742.db2.gz ZKWSKLBFWPMULH-UHFFFAOYSA-N 1 1 262.378 3.179 20 10 CGCDMO Cc1ccc(CCC[N@H+](C)Cc2ccccc2O)o1 ZINC001207952589 813679207 /nfs/dbraw/zinc/67/92/07/813679207.db2.gz ZYFLSQJPYHYOEI-UHFFFAOYSA-N 1 1 259.349 3.358 20 10 CGCDMO Oc1cccc2c1C[N@@H+](CCc1cc(F)cc(F)c1)CC2 ZINC001209133808 813944717 /nfs/dbraw/zinc/94/47/17/813944717.db2.gz VJNPAYQERQRXRX-UHFFFAOYSA-N 1 1 289.325 3.271 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@@H]2CO)cc1 ZINC001209516674 814071420 /nfs/dbraw/zinc/07/14/20/814071420.db2.gz LKXOIEAKBOGHRL-GOSISDBHSA-N 1 1 284.403 3.051 20 10 CGCDMO Cc1cccc(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)c1O ZINC001231594390 818131246 /nfs/dbraw/zinc/13/12/46/818131246.db2.gz DDWWFRUSFPQINJ-MRXNPFEDSA-N 1 1 283.371 3.136 20 10 CGCDMO CC[N@@H+](CCN1CCCCC1)Cc1cccc(C)c1O ZINC001231593875 818131321 /nfs/dbraw/zinc/13/13/21/818131321.db2.gz NBYLEABEBFBNDL-UHFFFAOYSA-N 1 1 276.424 3.008 20 10 CGCDMO CCN(CC[NH+]1CCCCC1)Cc1cccc(C)c1O ZINC001231593875 818131324 /nfs/dbraw/zinc/13/13/24/818131324.db2.gz NBYLEABEBFBNDL-UHFFFAOYSA-N 1 1 276.424 3.008 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@](C)(F)CC2)c1O ZINC001231590586 818131691 /nfs/dbraw/zinc/13/16/91/818131691.db2.gz BKXTVOGIXQXLOE-HNNXBMFYSA-N 1 1 251.345 3.415 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001231590822 818132333 /nfs/dbraw/zinc/13/23/33/818132333.db2.gz MWJCFYIRAPCXGF-QKDCVEJESA-N 1 1 271.335 3.193 20 10 CGCDMO Cc1cccc(C[N@H+](C)CCN(C)Cc2ccccc2)c1O ZINC001231595063 818133223 /nfs/dbraw/zinc/13/32/23/818133223.db2.gz RNVKOUOIMLBQHJ-UHFFFAOYSA-N 1 1 298.430 3.264 20 10 CGCDMO Cc1cccc(CN(C)CC[N@H+](C)Cc2ccccc2)c1O ZINC001231595063 818133226 /nfs/dbraw/zinc/13/32/26/818133226.db2.gz RNVKOUOIMLBQHJ-UHFFFAOYSA-N 1 1 298.430 3.264 20 10 CGCDMO Cc1cccc(CN(C)CC[N@@H+](C)Cc2ccccc2)c1O ZINC001231595063 818133228 /nfs/dbraw/zinc/13/32/28/818133228.db2.gz RNVKOUOIMLBQHJ-UHFFFAOYSA-N 1 1 298.430 3.264 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2cccc(C)c2O)cn1 ZINC001231595017 818134031 /nfs/dbraw/zinc/13/40/31/818134031.db2.gz QQLBXQLHQSYMMO-UHFFFAOYSA-N 1 1 256.349 3.036 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c(O)c1 ZINC001231845980 818187228 /nfs/dbraw/zinc/18/72/28/818187228.db2.gz WQSDGMNTTTZOQW-MRXNPFEDSA-N 1 1 298.386 3.057 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](C)C[C@H]1C ZINC001231853789 818188960 /nfs/dbraw/zinc/18/89/60/818188960.db2.gz RITHOMNHNTYPME-UONOGXRCSA-N 1 1 276.424 3.382 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H]1C(C)C ZINC001231855671 818189989 /nfs/dbraw/zinc/18/99/89/818189989.db2.gz YLKQRGVNKRBERX-INIZCTEOSA-N 1 1 276.424 3.382 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCc3ccncc3C2)cc1Cl ZINC001231870777 818193153 /nfs/dbraw/zinc/19/31/53/818193153.db2.gz SLKYZJLXJKNWHH-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCc3ccncc3C2)cc1Cl ZINC001231870777 818193157 /nfs/dbraw/zinc/19/31/57/818193157.db2.gz SLKYZJLXJKNWHH-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1cc(O)c(CN2CC[N@H+](C(C)C)[C@@H](C)C2)cc1Cl ZINC001231872205 818193968 /nfs/dbraw/zinc/19/39/68/818193968.db2.gz XQEUEVBCRQQVEO-ZDUSSCGKSA-N 1 1 296.842 3.269 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCC[C@]1(C)O ZINC001231909654 818210168 /nfs/dbraw/zinc/21/01/68/818210168.db2.gz GXUFOGSBIJOQJN-NHYWBVRUSA-N 1 1 283.799 3.029 20 10 CGCDMO CC(C)[N@@H+](C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232198466 818275705 /nfs/dbraw/zinc/27/57/05/818275705.db2.gz SUVQGTYNRZURKR-UHFFFAOYSA-N 1 1 282.815 3.017 20 10 CGCDMO CC[N@@H+](Cc1ccccn1)Cc1cc(Cl)c(O)cc1O ZINC001232262169 818295976 /nfs/dbraw/zinc/29/59/76/818295976.db2.gz BCRWIAJKWVDRMS-UHFFFAOYSA-N 1 1 292.766 3.168 20 10 CGCDMO Cc1c(Cl)nccc1C[N@@H+](C)Cc1ccccc1O ZINC001232758560 818434206 /nfs/dbraw/zinc/43/42/06/818434206.db2.gz ZOEVGPZIBREKRN-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO Cc1ccc2c(c1)CC[N@H+](Cc1ccc(N(C)C)cc1O)C2 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CC[N@H+](Cc1cc(C(C)(C)C)ccc1O)[C@@H](C)C(=O)OC ZINC001233287258 818569888 /nfs/dbraw/zinc/56/98/88/818569888.db2.gz DZRQSYMBPMYQMB-LBPRGKRZSA-N 1 1 293.407 3.073 20 10 CGCDMO CC[N@@H+](Cc1cc(C(C)(C)C)ccc1O)[C@@H](C)C(=O)OC ZINC001233287258 818569897 /nfs/dbraw/zinc/56/98/97/818569897.db2.gz DZRQSYMBPMYQMB-LBPRGKRZSA-N 1 1 293.407 3.073 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001233332547 818586661 /nfs/dbraw/zinc/58/66/61/818586661.db2.gz OTDNUKFENYXHOC-SCZZXKLOSA-N 1 1 289.272 3.148 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001233332547 818586666 /nfs/dbraw/zinc/58/66/66/818586666.db2.gz OTDNUKFENYXHOC-SCZZXKLOSA-N 1 1 289.272 3.148 20 10 CGCDMO C[N@H+](Cc1ccncc1)Cc1cccc(C(F)(F)F)c1O ZINC001233416005 818615278 /nfs/dbraw/zinc/61/52/78/818615278.db2.gz SAIVXNLAOLNINJ-UHFFFAOYSA-N 1 1 296.292 3.438 20 10 CGCDMO C[N@@H+](Cc1ccncc1)Cc1cccc(C(F)(F)F)c1O ZINC001233416005 818615279 /nfs/dbraw/zinc/61/52/79/818615279.db2.gz SAIVXNLAOLNINJ-UHFFFAOYSA-N 1 1 296.292 3.438 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CCC[C@H](c3ccccc3)C2)cc1O ZINC001233484931 818625631 /nfs/dbraw/zinc/62/56/31/818625631.db2.gz CKFNEEZAMPXVLJ-AWEZNQCLSA-N 1 1 299.370 3.183 20 10 CGCDMO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234993744 818972565 /nfs/dbraw/zinc/97/25/65/818972565.db2.gz BDBQSDBGDCDXMG-RHSMWYFYSA-N 1 1 297.398 3.404 20 10 CGCDMO Cc1ccc(C)c(CN2CCCC[C@]23CCC[NH2+]C3)c1O ZINC001235169225 819023304 /nfs/dbraw/zinc/02/33/04/819023304.db2.gz WVENEACKXWHCMG-GOSISDBHSA-N 1 1 288.435 3.117 20 10 CGCDMO C[C@@H]1CN[C@@H](C)C[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001235449662 819101352 /nfs/dbraw/zinc/10/13/52/819101352.db2.gz FWQHQLWOPPJQSK-LSDHHAIUSA-N 1 1 296.414 3.241 20 10 CGCDMO C[C@@H]1CN[C@@H](C)C[N@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001235449662 819101355 /nfs/dbraw/zinc/10/13/55/819101355.db2.gz FWQHQLWOPPJQSK-LSDHHAIUSA-N 1 1 296.414 3.241 20 10 CGCDMO C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235676045 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COc1cc(C)c(C[N@H+]2CCC[C@@H](C)[C@@H]2C)c(O)c1 ZINC001236813366 819604963 /nfs/dbraw/zinc/60/49/63/819604963.db2.gz JCWZFLKCRVVCKE-YPMHNXCESA-N 1 1 263.381 3.330 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@H+]1CCc2cccnc2C1 ZINC001236838126 819616189 /nfs/dbraw/zinc/61/61/89/819616189.db2.gz VGXVVNUDLYJJHX-UHFFFAOYSA-N 1 1 290.366 3.499 20 10 CGCDMO CC[N@@H+](CCn1cccn1)Cc1ccc(C(C)C)cc1O ZINC001237050233 819652995 /nfs/dbraw/zinc/65/29/95/819652995.db2.gz ZUPCSQSZLXPUBB-UHFFFAOYSA-N 1 1 287.407 3.234 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](N(C)C)C2)c(O)c1 ZINC001237053899 819653623 /nfs/dbraw/zinc/65/36/23/819653623.db2.gz QRSLHAKCHPNTLO-INIZCTEOSA-N 1 1 276.424 3.042 20 10 CGCDMO CC(C)c1ccc(CN2CCC[C@H]([NH+](C)C)C2)c(O)c1 ZINC001237053899 819653629 /nfs/dbraw/zinc/65/36/29/819653629.db2.gz QRSLHAKCHPNTLO-INIZCTEOSA-N 1 1 276.424 3.042 20 10 CGCDMO CCO[C@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237124451 819673541 /nfs/dbraw/zinc/67/35/41/819673541.db2.gz LUSGMCZUKJJQJF-JTQLQIEISA-N 1 1 287.762 3.186 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+](Cc1ccccc1)CC(C)(C)O ZINC001237492474 819763674 /nfs/dbraw/zinc/76/36/74/819763674.db2.gz QVEPSIUMRWPYCT-UHFFFAOYSA-N 1 1 299.414 3.474 20 10 CGCDMO Cc1cccc(O[C@@H]2CC[N@@H+](Cc3c(C)cccc3O)C2)n1 ZINC001237496477 819764017 /nfs/dbraw/zinc/76/40/17/819764017.db2.gz YTZDYZTWPZQNKF-OAHLLOKOSA-N 1 1 298.386 3.057 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2C)c(O)c(OC)c1 ZINC001237677071 819803112 /nfs/dbraw/zinc/80/31/12/819803112.db2.gz WPAGCYAGWHOLFF-RYUDHWBXSA-N 1 1 279.380 3.030 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c1O ZINC001238056393 819918773 /nfs/dbraw/zinc/91/87/73/819918773.db2.gz HZAFBLZTRKFFPR-JTQLQIEISA-N 1 1 273.298 3.317 20 10 CGCDMO COc1c(C[N@@H+](C)Cc2ccccc2O)ccc(F)c1F ZINC001238470448 820013188 /nfs/dbraw/zinc/01/31/88/820013188.db2.gz UZVQFHGAEJBTCV-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001341567843 936442697 /nfs/dbraw/zinc/44/26/97/936442697.db2.gz OOBHPZBSWLLBNE-MAUKXSAKSA-N 1 1 288.435 3.022 20 10 CGCDMO Nc1ccc(C[N@H+]2CCCc3sccc3C2)cc1 ZINC001352787084 937049688 /nfs/dbraw/zinc/04/96/88/937049688.db2.gz CHLRXXKVIASECZ-UHFFFAOYSA-N 1 1 258.390 3.279 20 10 CGCDMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(N)cc2)CCO1 ZINC001356083664 937152807 /nfs/dbraw/zinc/15/28/07/937152807.db2.gz XCNKYVAWBRNMLM-SFHVURJKSA-N 1 1 282.387 3.151 20 10 CGCDMO CCC[C@@H](C[N@@H+](CC)Cc1ccc(N(C)C)cc1)OC ZINC001560724682 937236810 /nfs/dbraw/zinc/23/68/10/937236810.db2.gz RIJCRXBICOGIHP-KRWDZBQOSA-N 1 1 278.440 3.390 20 10 CGCDMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001323324501 928519939 /nfs/dbraw/zinc/51/99/39/928519939.db2.gz WGGMNZYHOGFINX-HZPDHXFCSA-N 1 1 278.465 3.469 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)[C@@H]2CC[C@@H](SC)C2)c(O)c1 ZINC001308597339 928533947 /nfs/dbraw/zinc/53/39/47/928533947.db2.gz SAVDTBOVXMICBD-TZMCWYRMSA-N 1 1 295.448 3.425 20 10 CGCDMO COc1ccc(C[N@@H+](C)CCCc2ccccc2)c(O)c1 ZINC000179317300 932015404 /nfs/dbraw/zinc/01/54/04/932015404.db2.gz FWPSWMLRQCEMMK-UHFFFAOYSA-N 1 1 285.387 3.465 20 10 CGCDMO C[C@@H]1CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)[C@H]1C ZINC001461884357 937603690 /nfs/dbraw/zinc/60/36/90/937603690.db2.gz AJFYWVWYNXMATK-JGUVHBTRSA-N 1 1 258.409 3.496 20 10 CGCDMO CCC[N@@H+](Cc1cn(C2CC2)cn1)Cc1ccccc1O ZINC001461960530 937609342 /nfs/dbraw/zinc/60/93/42/937609342.db2.gz RLLWUQHGGXVEFJ-UHFFFAOYSA-N 1 1 285.391 3.336 20 10 CGCDMO CCC[C@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC001461963810 937609420 /nfs/dbraw/zinc/60/94/20/937609420.db2.gz WVAJAKNANPCBHH-FZMUQLTDSA-N 1 1 288.435 3.267 20 10 CGCDMO CCC[C@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC001461963810 937609421 /nfs/dbraw/zinc/60/94/21/937609421.db2.gz WVAJAKNANPCBHH-FZMUQLTDSA-N 1 1 288.435 3.267 20 10 CGCDMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001462130548 937620205 /nfs/dbraw/zinc/62/02/05/937620205.db2.gz WLIOFAMDDJVHNZ-HNNXBMFYSA-N 1 1 283.799 3.030 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)[C@H]2CC[C@@H](SC)C2)c(O)c1 ZINC001308597336 933139371 /nfs/dbraw/zinc/13/93/71/933139371.db2.gz SAVDTBOVXMICBD-GXTWGEPZSA-N 1 1 295.448 3.425 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(C(C)C)ccc2O)C[C@H]1C ZINC001308774963 933173957 /nfs/dbraw/zinc/17/39/57/933173957.db2.gz XAIGEMZHLZTJQD-CXAGYDPISA-N 1 1 277.408 3.372 20 10 CGCDMO CC[C@@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC001308848296 933188939 /nfs/dbraw/zinc/18/89/39/933188939.db2.gz KZELVXRUAPKCRN-XDWWLABZSA-N 1 1 288.435 3.265 20 10 CGCDMO CC[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H]1CCCO1 ZINC001319706153 933920182 /nfs/dbraw/zinc/92/01/82/933920182.db2.gz WLEWVJIVOPEAOI-SFHVURJKSA-N 1 1 288.435 3.288 20 10 CGCDMO [NH3+][C@H](CNCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001326076876 934949564 /nfs/dbraw/zinc/94/95/64/934949564.db2.gz RKRRVIHHCMPVHE-LJQANCHMSA-N 1 1 295.430 3.076 20 10 CGCDMO Nc1ccc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC001336117484 936176711 /nfs/dbraw/zinc/17/67/11/936176711.db2.gz NLUKLTFPUZYFRZ-QGZVFWFLSA-N 1 1 286.350 3.061 20 10 CGCDMO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccc(N)cc2)cs1 ZINC001336286174 936186299 /nfs/dbraw/zinc/18/62/99/936186299.db2.gz NRZYASNSVJAXHP-OAHLLOKOSA-N 1 1 273.405 3.371 20 10 CGCDMO Cc1nc([C@H]2CCC[N@H+]2Cc2ccc(N)cc2)cs1 ZINC001336286174 936186300 /nfs/dbraw/zinc/18/63/00/936186300.db2.gz NRZYASNSVJAXHP-OAHLLOKOSA-N 1 1 273.405 3.371 20 10 CGCDMO CCCC[N@@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC001474400416 937857715 /nfs/dbraw/zinc/85/77/15/937857715.db2.gz RRIQKTWTFWKEEJ-UHFFFAOYSA-N 1 1 256.340 3.263 20 10 CGCDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001474582973 937868442 /nfs/dbraw/zinc/86/84/42/937868442.db2.gz VDDAZUJLKNWLQG-VIFPVBQESA-N 1 1 255.308 3.291 20 10 CGCDMO C[C@H]1CC(C)(C)C[N@@H+]1Cc1cc(F)cc(F)c1O ZINC001474582973 937868444 /nfs/dbraw/zinc/86/84/44/937868444.db2.gz VDDAZUJLKNWLQG-VIFPVBQESA-N 1 1 255.308 3.291 20 10 CGCDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1cc(F)cc(F)c1O ZINC001474582973 937868446 /nfs/dbraw/zinc/86/84/46/937868446.db2.gz VDDAZUJLKNWLQG-VIFPVBQESA-N 1 1 255.308 3.291 20 10 CGCDMO CCc1cccc(C[NH+]2CC(OC(C)(C)CC)C2)c1O ZINC001474630983 937871514 /nfs/dbraw/zinc/87/15/14/937871514.db2.gz VCNQTKJZZUSOGS-UHFFFAOYSA-N 1 1 277.408 3.344 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@H](C)OC(C)(C)C2)cc1Cl ZINC001560658560 938268509 /nfs/dbraw/zinc/26/85/09/938268509.db2.gz BSUJZMVDTGAWOE-NSHDSACASA-N 1 1 283.799 3.353 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@H](C)OC(C)(C)C2)cc1Cl ZINC001560658560 938268510 /nfs/dbraw/zinc/26/85/10/938268510.db2.gz BSUJZMVDTGAWOE-NSHDSACASA-N 1 1 283.799 3.353 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H](C)OC(C)(C)C2)cc1Cl ZINC001560658559 938268610 /nfs/dbraw/zinc/26/86/10/938268610.db2.gz BSUJZMVDTGAWOE-LLVKDONJSA-N 1 1 283.799 3.353 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)cc1Cl ZINC001560658559 938268611 /nfs/dbraw/zinc/26/86/11/938268611.db2.gz BSUJZMVDTGAWOE-LLVKDONJSA-N 1 1 283.799 3.353 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCO[C@H](C(C)C)C2)c(Cl)c1 ZINC001560708041 938271776 /nfs/dbraw/zinc/27/17/76/938271776.db2.gz AILIAFISLNFZNY-HNNXBMFYSA-N 1 1 283.799 3.211 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@H](C(C)C)C2)c(Cl)c1 ZINC001560708041 938271777 /nfs/dbraw/zinc/27/17/77/938271777.db2.gz AILIAFISLNFZNY-HNNXBMFYSA-N 1 1 283.799 3.211 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH+]1CCC(C2CC2)CC1 ZINC001560871521 938281117 /nfs/dbraw/zinc/28/11/17/938281117.db2.gz LCVOODFJHHDSNH-UHFFFAOYSA-N 1 1 267.319 3.292 20 10 CGCDMO Oc1ccc(Cl)c(C[NH2+]Cc2cccc(F)c2O)c1 ZINC001560987647 938288081 /nfs/dbraw/zinc/28/80/81/938288081.db2.gz SKVXBQJGRWLAIN-UHFFFAOYSA-N 1 1 281.714 3.180 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+]C[C@H]1OCc2ccccc21 ZINC001561048730 938291486 /nfs/dbraw/zinc/29/14/86/938291486.db2.gz COLLNDAENUZFSH-MRXNPFEDSA-N 1 1 291.297 3.032 20 10 CGCDMO C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)CC(C)(C)O ZINC000093414510 345877846 /nfs/dbraw/zinc/87/78/46/345877846.db2.gz SJUNJUPRWJEVCN-UHFFFAOYSA-N 1 1 285.387 3.262 20 10 CGCDMO CC(C)[NH+](CCN[C@H](C)c1ccccc1O)C(C)C ZINC000019901022 368777509 /nfs/dbraw/zinc/77/75/09/368777509.db2.gz XFSPRVBFWHTBBZ-CQSZACIVSA-N 1 1 264.413 3.162 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1n1ccnc1 ZINC000091959663 370083277 /nfs/dbraw/zinc/08/32/77/370083277.db2.gz OCJJORYFYOMFEH-YJBOKZPZSA-N 1 1 298.434 3.032 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000092594646 370097724 /nfs/dbraw/zinc/09/77/24/370097724.db2.gz FOQAJIZLBLLUCH-OAHLLOKOSA-N 1 1 289.400 3.336 20 10 CGCDMO CC[C@H]([NH2+]CC1(SC)CC1)c1ccc(F)cc1O ZINC000287625430 371684950 /nfs/dbraw/zinc/68/49/50/371684950.db2.gz TWOSVPUYBLMXOB-LBPRGKRZSA-N 1 1 269.385 3.468 20 10 CGCDMO Cc1cccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)c1O ZINC000289233009 371752773 /nfs/dbraw/zinc/75/27/73/371752773.db2.gz DDMDOROSNMHABD-GOEBONIOSA-N 1 1 277.408 3.216 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C1CCSCC1 ZINC000293626510 372429955 /nfs/dbraw/zinc/42/99/55/372429955.db2.gz MVCDAZMPHPYDKF-UHFFFAOYSA-N 1 1 275.776 3.170 20 10 CGCDMO CC[C@@H]([NH2+][C@H]1CCOC1(C)C)c1ccc(F)cc1O ZINC000296384279 373113648 /nfs/dbraw/zinc/11/36/48/373113648.db2.gz JTDOWPGSXYJEEW-OCCSQVGLSA-N 1 1 267.344 3.140 20 10 CGCDMO Cn1cc(C[N@@H+](C)Cc2ccccc2O)c(C(C)(C)C)n1 ZINC000179770648 373914718 /nfs/dbraw/zinc/91/47/18/373914718.db2.gz YLGJVSSQFPPFCK-UHFFFAOYSA-N 1 1 287.407 3.055 20 10 CGCDMO Cc1cccc(C[N@@H+](C)Cc2ccccc2O)c1O ZINC000179770418 373915337 /nfs/dbraw/zinc/91/53/37/373915337.db2.gz NIJCMZYWZUTATB-UHFFFAOYSA-N 1 1 257.333 3.038 20 10 CGCDMO CCCO[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC000180135631 373968287 /nfs/dbraw/zinc/96/82/87/373968287.db2.gz ZYMFAXFVWLXRGX-OAHLLOKOSA-N 1 1 281.371 3.312 20 10 CGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000230300126 376500196 /nfs/dbraw/zinc/50/01/96/376500196.db2.gz VBGISYXYEREQNU-AWEZNQCLSA-N 1 1 269.772 3.047 20 10 CGCDMO C[C@H](c1ccccc1)[N@@H+](CCCO)Cc1ccccc1O ZINC000268320319 378053136 /nfs/dbraw/zinc/05/31/36/378053136.db2.gz RQLLHWHZCALTMP-OAHLLOKOSA-N 1 1 285.387 3.338 20 10 CGCDMO Cc1ncsc1C[N@@H+](C)Cc1c(O)cccc1Cl ZINC000271139811 378461850 /nfs/dbraw/zinc/46/18/50/378461850.db2.gz CBTCKTOWNMIIPA-UHFFFAOYSA-N 1 1 282.796 3.443 20 10 CGCDMO Cc1ncsc1C[N@H+](C)Cc1c(O)cccc1Cl ZINC000271139811 378461856 /nfs/dbraw/zinc/46/18/56/378461856.db2.gz CBTCKTOWNMIIPA-UHFFFAOYSA-N 1 1 282.796 3.443 20 10 CGCDMO C[C@H]([NH2+]CCCc1nccs1)c1ccc(F)cc1O ZINC000273350814 378742312 /nfs/dbraw/zinc/74/23/12/378742312.db2.gz BSLLXKPJHOGMNM-JTQLQIEISA-N 1 1 280.368 3.271 20 10 CGCDMO C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000273361056 378742388 /nfs/dbraw/zinc/74/23/88/378742388.db2.gz AJKGUONSVRLRAQ-IUCAKERBSA-N 1 1 295.276 3.149 20 10 CGCDMO C[C@@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1ccc(F)cc1O ZINC000273485581 378750428 /nfs/dbraw/zinc/75/04/28/378750428.db2.gz NGLRVFXPGJHQKB-QWHCGFSZSA-N 1 1 295.398 3.371 20 10 CGCDMO C[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccccc1O ZINC000272800518 378706454 /nfs/dbraw/zinc/70/64/54/378706454.db2.gz BKBDGIPAGUJMBJ-YGRLFVJLSA-N 1 1 293.313 3.055 20 10 CGCDMO C[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccccc1O ZINC000272800516 378706724 /nfs/dbraw/zinc/70/67/24/378706724.db2.gz BKBDGIPAGUJMBJ-QMTHXVAHSA-N 1 1 293.313 3.055 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)c1cn(C)nc1C)c1ccc(F)cc1O ZINC000286134142 380164275 /nfs/dbraw/zinc/16/42/75/380164275.db2.gz OREJPHJIVCGKLK-MEBBXXQBSA-N 1 1 291.370 3.375 20 10 CGCDMO CC[C@H]([NH2+]CC1([C@H](O)C(C)C)CC1)c1ccc(F)cc1O ZINC000286232691 380179656 /nfs/dbraw/zinc/17/96/56/380179656.db2.gz SWOMSLMOAXWRAG-GOEBONIOSA-N 1 1 295.398 3.369 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)CSC)c1ccc(F)cc1O ZINC000286244558 380181310 /nfs/dbraw/zinc/18/13/10/380181310.db2.gz UDGJANDYXQSIEG-SKDRFNHKSA-N 1 1 257.374 3.324 20 10 CGCDMO CC[C@H]([NH2+]CCCc1c[nH]nc1C)c1ccc(F)cc1O ZINC000285732922 380152841 /nfs/dbraw/zinc/15/28/41/380152841.db2.gz QTTSPNHHYKPVKV-HNNXBMFYSA-N 1 1 291.370 3.236 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CCSC1)c1ccc(F)cc1O ZINC000286045095 380159336 /nfs/dbraw/zinc/15/93/36/380159336.db2.gz JYYRYGCHYAAPEB-JQWIXIFHSA-N 1 1 255.358 3.078 20 10 CGCDMO Cc1cccc(C[N@H+]2CCOCC3(CCCC3)C2)c1O ZINC000364326806 382268977 /nfs/dbraw/zinc/26/89/77/382268977.db2.gz HZMFBRLHFKJNRH-UHFFFAOYSA-N 1 1 275.392 3.093 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1ccc(C)cc1O ZINC000366442028 382308363 /nfs/dbraw/zinc/30/83/63/382308363.db2.gz DVCLXTVWIVYVKX-HIFRSBDPSA-N 1 1 285.391 3.022 20 10 CGCDMO CCc1cc(NCc2ccc(N(C)C)cc2)nc(C)[nH+]1 ZINC000301331304 392586926 /nfs/dbraw/zinc/58/69/26/392586926.db2.gz DTAGTKMXSRHOMP-UHFFFAOYSA-N 1 1 270.380 3.026 20 10 CGCDMO CC(C)C[C@H](CCO)C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185614806 262062227 /nfs/dbraw/zinc/06/22/27/262062227.db2.gz AMEVHZROEQVDNL-OLZOCXBDSA-N 1 1 283.387 3.227 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](O)CC2)cc1F ZINC000294114725 265007751 /nfs/dbraw/zinc/00/77/51/265007751.db2.gz SVBGLSHNLDAUCR-OAHLLOKOSA-N 1 1 294.414 3.019 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c1O ZINC000291536841 328264704 /nfs/dbraw/zinc/26/47/04/328264704.db2.gz KXIQVJBJKBXBNU-NSHDSACASA-N 1 1 255.308 3.178 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000377827032 329030660 /nfs/dbraw/zinc/03/06/60/329030660.db2.gz SDCILQVHARRUAJ-KBPBESRZSA-N 1 1 293.382 3.170 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000377827032 329030662 /nfs/dbraw/zinc/03/06/62/329030662.db2.gz SDCILQVHARRUAJ-KBPBESRZSA-N 1 1 293.382 3.170 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000377835657 329031275 /nfs/dbraw/zinc/03/12/75/329031275.db2.gz VPWSUHOYQXICLE-KBPBESRZSA-N 1 1 293.382 3.170 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)cc1 ZINC000378339084 329046673 /nfs/dbraw/zinc/04/66/73/329046673.db2.gz DMDDRXMCXGTDGP-QGZVFWFLSA-N 1 1 288.435 3.001 20 10 CGCDMO CC[C@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc(F)cc1O ZINC000527922897 330295995 /nfs/dbraw/zinc/29/59/95/330295995.db2.gz BXHBOJJZKMHPDH-WFASDCNBSA-N 1 1 281.371 3.389 20 10 CGCDMO CC[C@H]([NH2+]Cc1cccnc1C)c1ccc(F)cc1O ZINC000527987940 330298984 /nfs/dbraw/zinc/29/89/84/330298984.db2.gz QFMJTUQUOPBULT-HNNXBMFYSA-N 1 1 274.339 3.476 20 10 CGCDMO CC1(C)C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000293562894 520556044 /nfs/dbraw/zinc/55/60/44/520556044.db2.gz IFGDOEDIVCWALX-SNVBAGLBSA-N 1 1 287.762 3.232 20 10 CGCDMO CCC[N@@H+](Cc1ccc(OC)nc1)Cc1ccccc1O ZINC000085791591 521684209 /nfs/dbraw/zinc/68/42/09/521684209.db2.gz DNOMKQJEGDLZCM-UHFFFAOYSA-N 1 1 286.375 3.208 20 10 CGCDMO CCC[N@@H+](Cc1cccnc1)Cc1ccccc1O ZINC000076073981 521690780 /nfs/dbraw/zinc/69/07/80/521690780.db2.gz YUKZYMMZIFIXIP-UHFFFAOYSA-N 1 1 256.349 3.199 20 10 CGCDMO CN(C)CC[N@H+](Cc1cccs1)Cc1ccccc1O ZINC000289408078 521752819 /nfs/dbraw/zinc/75/28/19/521752819.db2.gz HKPYSNMFIGTUMV-UHFFFAOYSA-N 1 1 290.432 3.018 20 10 CGCDMO CN(C)CC[N@@H+](Cc1cccs1)Cc1ccccc1O ZINC000289408078 521752827 /nfs/dbraw/zinc/75/28/27/521752827.db2.gz HKPYSNMFIGTUMV-UHFFFAOYSA-N 1 1 290.432 3.018 20 10 CGCDMO CN(C)c1cccc(C[N@@H+](C)Cc2ccccc2O)c1 ZINC000072629588 522265666 /nfs/dbraw/zinc/26/56/66/522265666.db2.gz SMYCRSAQYWXCTF-UHFFFAOYSA-N 1 1 270.376 3.090 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(C)cc1O ZINC000280011069 522617837 /nfs/dbraw/zinc/61/78/37/522617837.db2.gz GRTHFTUIVGWWEJ-YOEHRIQHSA-N 1 1 288.435 3.226 20 10 CGCDMO CC[C@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(F)cc1O ZINC000290029020 522707424 /nfs/dbraw/zinc/70/74/24/522707424.db2.gz CTFGCLAKVYNPIW-GJZGRUSLSA-N 1 1 281.371 3.123 20 10 CGCDMO Cc1ccc([C@H](C)NCC[N@H+](C)C2CCCC2)c(O)c1 ZINC000071376786 525918537 /nfs/dbraw/zinc/91/85/37/525918537.db2.gz NHMRGRAKBGGUDT-AWEZNQCLSA-N 1 1 276.424 3.226 20 10 CGCDMO Cc1ccc([C@H](C)NCC[N@@H+](C)C2CCCC2)c(O)c1 ZINC000071376786 525918547 /nfs/dbraw/zinc/91/85/47/525918547.db2.gz NHMRGRAKBGGUDT-AWEZNQCLSA-N 1 1 276.424 3.226 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1O ZINC000278444771 525952564 /nfs/dbraw/zinc/95/25/64/525952564.db2.gz WUHVJPBCWHFXJP-SNVBAGLBSA-N 1 1 289.297 3.175 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000290953953 526347583 /nfs/dbraw/zinc/34/75/83/526347583.db2.gz QXDNEJTWJUDTCK-HZPDHXFCSA-N 1 1 291.366 3.065 20 10 CGCDMO Oc1cccc(Cl)c1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000129995433 526363319 /nfs/dbraw/zinc/36/33/19/526363319.db2.gz XIWOMEQVUPQNPQ-NSHDSACASA-N 1 1 281.783 3.047 20 10 CGCDMO CCCC[N@@H+](CCOC)Cc1cc2c(cc1O)CCC2 ZINC000731662484 572422315 /nfs/dbraw/zinc/42/23/15/572422315.db2.gz ORQREWRHXMVFBP-UHFFFAOYSA-N 1 1 277.408 3.129 20 10 CGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1 ZINC000742166425 572557012 /nfs/dbraw/zinc/55/70/12/572557012.db2.gz MYUWZUYYQBTECU-OKILXGFUSA-N 1 1 289.419 3.483 20 10 CGCDMO COCC[N@@H+](Cc1cc2c(cc1O)CCC2)C1CCCC1 ZINC000747791492 572949435 /nfs/dbraw/zinc/94/94/35/572949435.db2.gz NGMAPQLRBDZFOA-UHFFFAOYSA-N 1 1 289.419 3.272 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCCSC1)c1cc(F)cc(F)c1O ZINC000806177922 617818751 /nfs/dbraw/zinc/81/87/51/617818751.db2.gz ABEHEKYLEWRQJV-VHSXEESVSA-N 1 1 287.375 3.464 20 10 CGCDMO C[N@@H+](Cc1cc2c(cc1O)CCCC2)[C@H]1CCSC1 ZINC000160499630 618079274 /nfs/dbraw/zinc/07/92/74/618079274.db2.gz AEDMGCJGRZXNLF-HNNXBMFYSA-N 1 1 277.433 3.208 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](C)CC[C@@H]2C)c1O ZINC000088706191 618128973 /nfs/dbraw/zinc/12/89/73/618128973.db2.gz YLYXDCHCYZEDEI-MNOVXSKESA-N 1 1 279.355 3.354 20 10 CGCDMO Cc1cc(F)ccc1C[N@H+](C)Cc1ccccc1O ZINC000091974436 618509706 /nfs/dbraw/zinc/50/97/06/618509706.db2.gz BWIHEXVBYIFFRB-UHFFFAOYSA-N 1 1 259.324 3.472 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2ccc(F)cc2)c1O ZINC000161148018 618582782 /nfs/dbraw/zinc/58/27/82/618582782.db2.gz SLSRENLWXHYXHL-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C)c1ccc(F)cc1O ZINC000840873064 618738859 /nfs/dbraw/zinc/73/88/59/618738859.db2.gz QGGRSBXBMQJFID-FJJYHAOUSA-N 1 1 281.371 3.386 20 10 CGCDMO Cc1ncc(C[N@H+](C)Cc2cc(Cl)ccc2O)s1 ZINC000179382138 618780602 /nfs/dbraw/zinc/78/06/02/618780602.db2.gz BFGVAYTVJVPFLO-UHFFFAOYSA-N 1 1 282.796 3.443 20 10 CGCDMO COC1([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2O)CCC1 ZINC000840884439 618871718 /nfs/dbraw/zinc/87/17/18/618871718.db2.gz MRAFXCOROQAORO-MNOVXSKESA-N 1 1 267.344 3.140 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@H](C)C[C@@H]2C)c1O ZINC000169084460 618915626 /nfs/dbraw/zinc/91/56/26/618915626.db2.gz UNDOEAWMQTZYJS-ZJUUUORDSA-N 1 1 269.772 3.285 20 10 CGCDMO Cc1nc(C)c(CC[NH2+][C@H](C)c2ccc(F)cc2O)s1 ZINC000185402677 619061110 /nfs/dbraw/zinc/06/11/10/619061110.db2.gz OGUIHFBEYLHINN-SECBINFHSA-N 1 1 294.395 3.498 20 10 CGCDMO Cc1ccncc1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000162636737 619120575 /nfs/dbraw/zinc/12/05/75/619120575.db2.gz YDMUHPVRYWUQKD-NSHDSACASA-N 1 1 260.312 3.086 20 10 CGCDMO CCOC[C@@H]1CCCC[N@H+]1Cc1cc(C)ccc1O ZINC000313464350 619173767 /nfs/dbraw/zinc/17/37/67/619173767.db2.gz AHFFIAQTZLUDIJ-HNNXBMFYSA-N 1 1 263.381 3.092 20 10 CGCDMO COc1ccc(C[N@@H+](C)C[C@H]2CC=CCC2)c(O)c1OC ZINC000893522384 619202731 /nfs/dbraw/zinc/20/27/31/619202731.db2.gz SKGYEXZTGSEJAO-ZDUSSCGKSA-N 1 1 291.391 3.198 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc(F)cc1O ZINC000062747804 619282836 /nfs/dbraw/zinc/28/28/36/619282836.db2.gz JLIURNRAMAPIRF-RISCZKNCSA-N 1 1 287.334 3.186 20 10 CGCDMO CCCO[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)CC1 ZINC000894017320 619351157 /nfs/dbraw/zinc/35/11/57/619351157.db2.gz LRSZSHIKASPGRE-CQSZACIVSA-N 1 1 299.361 3.452 20 10 CGCDMO CCCO[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)CC1 ZINC000894017320 619351160 /nfs/dbraw/zinc/35/11/60/619351160.db2.gz LRSZSHIKASPGRE-CQSZACIVSA-N 1 1 299.361 3.452 20 10 CGCDMO C[C@H]1C[NH+](Cc2cc(F)cc(F)c2O)C[C@H](C)C1(F)F ZINC000895387753 619818527 /nfs/dbraw/zinc/81/85/27/619818527.db2.gz FDXRCWJTWJQPIY-IUCAKERBSA-N 1 1 291.288 3.394 20 10 CGCDMO C[C@@H]1C[NH+](Cc2cc(F)cc(F)c2O)C[C@@H](C)C1(F)F ZINC000895387754 619818563 /nfs/dbraw/zinc/81/85/63/619818563.db2.gz FDXRCWJTWJQPIY-RKDXNWHRSA-N 1 1 291.288 3.394 20 10 CGCDMO C[C@H](Cc1cccs1)[NH2+]Cc1c(O)cccc1F ZINC000896636240 620040953 /nfs/dbraw/zinc/04/09/53/620040953.db2.gz BGPFOVMLOHXTES-SNVBAGLBSA-N 1 1 265.353 3.314 20 10 CGCDMO CC(C)[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2F)CS1 ZINC000896638637 620041512 /nfs/dbraw/zinc/04/15/12/620041512.db2.gz WZIRGFSRNBVHRT-IINYFYTJSA-N 1 1 269.385 3.151 20 10 CGCDMO CO[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)CC(C)C ZINC000841755616 620398879 /nfs/dbraw/zinc/39/88/79/620398879.db2.gz KJLUZBBLHHKSHV-WCQYABFASA-N 1 1 269.360 3.243 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)c1 ZINC000903317607 621688290 /nfs/dbraw/zinc/68/82/90/621688290.db2.gz MMSKWVWBMUYUGY-HTTKSJEASA-N 1 1 289.375 3.018 20 10 CGCDMO C[C@H]([NH2+][C@@H](c1ncccn1)C1CC1)c1ccc(N(C)C)cc1 ZINC000903334338 621690122 /nfs/dbraw/zinc/69/01/22/621690122.db2.gz XSHOJDUHKRPUTQ-SUMWQHHRSA-N 1 1 296.418 3.345 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H]2c2ccnn2C)c1 ZINC000905741318 622103338 /nfs/dbraw/zinc/10/33/38/622103338.db2.gz MSRROCBQARLBLG-INIZCTEOSA-N 1 1 285.391 3.080 20 10 CGCDMO C[N@@H+](CCCCCO)Cc1ccc(N2CCCCC2)cc1 ZINC000171143456 623138328 /nfs/dbraw/zinc/13/83/28/623138328.db2.gz WOQFTYWTSJAKQH-UHFFFAOYSA-N 1 1 290.451 3.271 20 10 CGCDMO Cc1nc(C[NH2+]Cc2ccc3c(c2)CCCO3)cs1 ZINC000921561457 625683792 /nfs/dbraw/zinc/68/37/92/625683792.db2.gz GGNDGZOZQRSEIW-UHFFFAOYSA-N 1 1 274.389 3.066 20 10 CGCDMO CC[N@@H+](CCc1ccccc1)Cc1ccccc1O ZINC000179561504 624666159 /nfs/dbraw/zinc/66/61/59/624666159.db2.gz SUERSQKQJIKNGU-UHFFFAOYSA-N 1 1 255.361 3.457 20 10 CGCDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180167618 624722364 /nfs/dbraw/zinc/72/23/64/624722364.db2.gz HZWKSDRVULQDNF-OAHLLOKOSA-N 1 1 281.371 3.168 20 10 CGCDMO COc1cccc2c1CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC000180784201 624772256 /nfs/dbraw/zinc/77/22/56/624772256.db2.gz UXHVDTFEMNREIT-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO CCN(CC)c1ccc(C[NH2+][C@H](C)c2nccn2C)cc1 ZINC000182501457 625006253 /nfs/dbraw/zinc/00/62/53/625006253.db2.gz IOBHVQSBZYLRKQ-CQSZACIVSA-N 1 1 286.423 3.117 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2C)c1O ZINC000184672448 625261868 /nfs/dbraw/zinc/26/18/68/625261868.db2.gz YTRBYQLBCTUBBM-SNVBAGLBSA-N 1 1 269.772 3.429 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CCC(C)(C)C2)c1O ZINC000184693037 625262913 /nfs/dbraw/zinc/26/29/13/625262913.db2.gz AZKQVTKFBZMFCP-UHFFFAOYSA-N 1 1 269.772 3.286 20 10 CGCDMO COc1ccccc1CC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000184861428 625277888 /nfs/dbraw/zinc/27/78/88/625277888.db2.gz RTLNSZAIGSXSAX-GFCCVEGCSA-N 1 1 289.350 3.433 20 10 CGCDMO Cc1ccc(O)c(C[NH2+]Cc2nc(C(C)(C)C)co2)c1 ZINC000922286284 625993261 /nfs/dbraw/zinc/99/32/61/625993261.db2.gz UWNRCFZLPWANPY-UHFFFAOYSA-N 1 1 274.364 3.276 20 10 CGCDMO CC(C)CCOCC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756504760 626095972 /nfs/dbraw/zinc/09/59/72/626095972.db2.gz SVMHPTATEJYOGX-LLVKDONJSA-N 1 1 287.350 3.384 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccn(C)n1 ZINC000839191440 626328574 /nfs/dbraw/zinc/32/85/74/626328574.db2.gz POJZUZQVQQRLCM-OAHLLOKOSA-N 1 1 298.434 3.261 20 10 CGCDMO C[C@@H]1C[C@H]1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000754102007 626475546 /nfs/dbraw/zinc/47/55/46/626475546.db2.gz OOTZUPGFGDNOTK-HIFRSBDPSA-N 1 1 258.409 3.373 20 10 CGCDMO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000756454841 626707033 /nfs/dbraw/zinc/70/70/33/626707033.db2.gz ONRWXHXGFLLYDZ-TUAOUCFPSA-N 1 1 279.380 3.264 20 10 CGCDMO C[C@H](CCN(C)C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756505630 626710583 /nfs/dbraw/zinc/71/05/83/626710583.db2.gz UHVFTNMRLZBGRB-DMDPSCGWSA-N 1 1 280.387 3.009 20 10 CGCDMO C[C@@H]([NH2+]CCC(F)(F)F)c1cc(F)cc(F)c1O ZINC000756649620 626724668 /nfs/dbraw/zinc/72/46/68/626724668.db2.gz QCULTYZGHAXYLR-ZCFIWIBFSA-N 1 1 269.213 3.273 20 10 CGCDMO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000756651894 626724627 /nfs/dbraw/zinc/72/46/27/626724627.db2.gz YKVXOQJPSIHTDE-YWPYICTPSA-N 1 1 291.391 3.408 20 10 CGCDMO Oc1ccc2ccncc2c1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000763332560 627151896 /nfs/dbraw/zinc/15/18/96/627151896.db2.gz MLMXISHHQADGSH-CQSZACIVSA-N 1 1 268.360 3.172 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCCF)cc1 ZINC000766006647 627286350 /nfs/dbraw/zinc/28/63/50/627286350.db2.gz MNCVBHOTGVTCDG-UHFFFAOYSA-N 1 1 252.377 3.324 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](Cc2cccn2C)C2CC2)cc1 ZINC000768258896 627471659 /nfs/dbraw/zinc/47/16/59/627471659.db2.gz YJERZTVGQBFNKR-UHFFFAOYSA-N 1 1 283.419 3.256 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H]2c2ccccc2)cc1OC ZINC000768438665 627480006 /nfs/dbraw/zinc/48/00/06/627480006.db2.gz DJEAWBZAXWQRNN-OAHLLOKOSA-N 1 1 299.370 3.356 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@@H]2C2CC2)c(O)cc1C ZINC000768453374 627480376 /nfs/dbraw/zinc/48/03/76/627480376.db2.gz WELFCKBOROHTCP-CQSZACIVSA-N 1 1 261.365 3.084 20 10 CGCDMO CCOc1ccc(C[N@@H+](CC(C)C)C2CC2)c(O)c1 ZINC000768532839 627484603 /nfs/dbraw/zinc/48/46/03/627484603.db2.gz OMVJAEGIABTPPH-UHFFFAOYSA-N 1 1 263.381 3.411 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000769104625 627522244 /nfs/dbraw/zinc/52/22/44/627522244.db2.gz JNWUCJNGTRZUIZ-MRXNPFEDSA-N 1 1 299.370 3.444 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](C)CC2)c1 ZINC000769148811 627525880 /nfs/dbraw/zinc/52/58/80/627525880.db2.gz SJLDUJXZBKEQNO-CYBMUJFWSA-N 1 1 263.381 3.413 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC(C)(C)C2)cc1F ZINC000769399477 627548914 /nfs/dbraw/zinc/54/89/14/627548914.db2.gz SBKBJUNOYKAPIN-UHFFFAOYSA-N 1 1 250.361 3.124 20 10 CGCDMO OCCC[N@@H+](Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000769405287 627549393 /nfs/dbraw/zinc/54/93/93/627549393.db2.gz TXLQHSKJLOXUAI-UHFFFAOYSA-N 1 1 288.435 3.024 20 10 CGCDMO CC[C@@]1(C)CCC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000769446305 627552571 /nfs/dbraw/zinc/55/25/71/627552571.db2.gz LOHWFIOJMFTJIS-INIZCTEOSA-N 1 1 263.381 3.413 20 10 CGCDMO CCOc1ccc(C[N@H+]2C[C@@H](C)C[C@H]2CC)c(O)c1 ZINC000769449123 627553397 /nfs/dbraw/zinc/55/33/97/627553397.db2.gz ZCOOVGKJBRHDMH-GXTWGEPZSA-N 1 1 263.381 3.411 20 10 CGCDMO CCN1CC[C@H]([N@H+](C)Cc2cc(C)c(C)cc2O)C[C@H]1C ZINC000769469929 627557088 /nfs/dbraw/zinc/55/70/88/627557088.db2.gz HSHABHOMDALFDV-WBVHZDCISA-N 1 1 290.451 3.314 20 10 CGCDMO CCN1CC[C@H]([N@@H+](C)Cc2cc(C)c(C)cc2O)C[C@H]1C ZINC000769469929 627557091 /nfs/dbraw/zinc/55/70/91/627557091.db2.gz HSHABHOMDALFDV-WBVHZDCISA-N 1 1 290.451 3.314 20 10 CGCDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(C)ccc2O)C1(C)C ZINC000769476249 627558607 /nfs/dbraw/zinc/55/86/07/627558607.db2.gz XMIAOWROEAZODB-JKSUJKDBSA-N 1 1 277.408 3.336 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)CCc1cccs1 ZINC000769497824 627560395 /nfs/dbraw/zinc/56/03/95/627560395.db2.gz COCGXQXMXXVQAS-UHFFFAOYSA-N 1 1 277.389 3.137 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccc[nH]2)cc1 ZINC000769542445 627564668 /nfs/dbraw/zinc/56/46/68/627564668.db2.gz IVEYZWJRMWKHEN-UHFFFAOYSA-N 1 1 271.408 3.493 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@H]1O ZINC000770381249 627616447 /nfs/dbraw/zinc/61/64/47/627616447.db2.gz ORGSIGGZKGJXDE-IFXJQAMLSA-N 1 1 297.398 3.262 20 10 CGCDMO COc1c(O)c(C[NH2+]CCCC(C)(C)C)ccc1[N+](=O)[O-] ZINC000775028489 628054581 /nfs/dbraw/zinc/05/45/81/628054581.db2.gz RLKCUFGQZQIAEA-UHFFFAOYSA-N 1 1 296.367 3.225 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cc(Cl)ccc1O ZINC000775492196 628100584 /nfs/dbraw/zinc/10/05/84/628100584.db2.gz NHVMMIUKKUCYDK-DOMZBBRYSA-N 1 1 296.842 3.428 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1cc(Cl)ccc1[O-] ZINC000775492196 628100585 /nfs/dbraw/zinc/10/05/85/628100585.db2.gz NHVMMIUKKUCYDK-DOMZBBRYSA-N 1 1 296.842 3.428 20 10 CGCDMO CC[C@H]([NH2+]CCCC[NH+](C)C)c1cc(Cl)ccc1[O-] ZINC000775497397 628100732 /nfs/dbraw/zinc/10/07/32/628100732.db2.gz QBTXYKLDZBQGIK-AWEZNQCLSA-N 1 1 284.831 3.428 20 10 CGCDMO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000775643042 628118316 /nfs/dbraw/zinc/11/83/16/628118316.db2.gz RPWOIFPHFJNXDQ-SMDDNHRTSA-N 1 1 283.799 3.353 20 10 CGCDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000775643042 628118318 /nfs/dbraw/zinc/11/83/18/628118318.db2.gz RPWOIFPHFJNXDQ-SMDDNHRTSA-N 1 1 283.799 3.353 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000775660603 628121115 /nfs/dbraw/zinc/12/11/15/628121115.db2.gz FWJIOHOAXAQORD-KRWDZBQOSA-N 1 1 299.370 3.444 20 10 CGCDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(C)c2O)C12CCC2 ZINC000775743377 628131952 /nfs/dbraw/zinc/13/19/52/628131952.db2.gz ZKJSMAFTQRYULK-CVEARBPZSA-N 1 1 289.419 3.480 20 10 CGCDMO CC(C)[C@@H]1CC[N@@H+]1Cc1cccc(Br)c1O ZINC000775764918 628134596 /nfs/dbraw/zinc/13/45/96/628134596.db2.gz LPRUZLWIPNWRRN-LBPRGKRZSA-N 1 1 284.197 3.385 20 10 CGCDMO CC(C)[C@@H]1CC[N@H+]1Cc1cccc(Br)c1O ZINC000775764918 628134598 /nfs/dbraw/zinc/13/45/98/628134598.db2.gz LPRUZLWIPNWRRN-LBPRGKRZSA-N 1 1 284.197 3.385 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C[C@H]1F ZINC000777965497 628316987 /nfs/dbraw/zinc/31/69/87/628316987.db2.gz WWJVYIRTJAKYMR-MLGOLLRUSA-N 1 1 277.383 3.451 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2cc(F)ccc2O)cc1F ZINC000778994922 628382053 /nfs/dbraw/zinc/38/20/53/628382053.db2.gz LGRMDNDDYIUEPH-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000779023472 628383908 /nfs/dbraw/zinc/38/39/08/628383908.db2.gz SLIARTWRQNHJQY-HNNXBMFYSA-N 1 1 257.308 3.478 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000779188661 628393180 /nfs/dbraw/zinc/39/31/80/628393180.db2.gz WPHMVABUTCMNFH-HNNXBMFYSA-N 1 1 295.810 3.437 20 10 CGCDMO CCN(C)c1ccc([C@H](C)[NH2+]Cc2nnc(C)s2)cc1 ZINC000780743057 628512874 /nfs/dbraw/zinc/51/28/74/628512874.db2.gz FXYGKZOETDUKBZ-NSHDSACASA-N 1 1 290.436 3.153 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)C2CCC2)c1 ZINC000781912511 628604821 /nfs/dbraw/zinc/60/48/21/628604821.db2.gz QHZVDMXAHYWGNI-UHFFFAOYSA-N 1 1 284.197 3.447 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@H+](C)C2CCC2)c1 ZINC000781912511 628604824 /nfs/dbraw/zinc/60/48/24/628604824.db2.gz QHZVDMXAHYWGNI-UHFFFAOYSA-N 1 1 284.197 3.447 20 10 CGCDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000788269385 629044209 /nfs/dbraw/zinc/04/42/09/629044209.db2.gz MACHPQVMLMQHJR-CXAGYDPISA-N 1 1 283.371 3.014 20 10 CGCDMO COC[C@@H](C)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788562335 629064907 /nfs/dbraw/zinc/06/49/07/629064907.db2.gz GVZXHDMRTGLRBF-VHSXEESVSA-N 1 1 291.313 3.344 20 10 CGCDMO CC[C@](C)(O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788592400 629066785 /nfs/dbraw/zinc/06/67/85/629066785.db2.gz BXOGDQVZHBNISQ-RNCFNFMXSA-N 1 1 291.313 3.223 20 10 CGCDMO C[C@@]1(CO)CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000789557056 629145223 /nfs/dbraw/zinc/14/52/23/629145223.db2.gz FGMFWZIJIJAEKY-IBGZPJMESA-N 1 1 297.398 3.406 20 10 CGCDMO Cc1ccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)cn1 ZINC000790948943 629242177 /nfs/dbraw/zinc/24/21/77/629242177.db2.gz NLNVOYBTTXMCPQ-UHFFFAOYSA-N 1 1 280.730 3.178 20 10 CGCDMO C[C@@H](C1CC1)[N@@H+](C)Cc1c(O)cccc1Br ZINC000862224082 629326275 /nfs/dbraw/zinc/32/62/75/629326275.db2.gz HSEIBMFPMPHHNX-VIFPVBQESA-N 1 1 284.197 3.385 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1F ZINC000862441257 629374458 /nfs/dbraw/zinc/37/44/58/629374458.db2.gz QAMSRSSEQKAOID-OKILXGFUSA-N 1 1 262.372 3.124 20 10 CGCDMO CCC(O)(CC)C[N@@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000862538644 629394583 /nfs/dbraw/zinc/39/45/83/629394583.db2.gz BSXNGTZPRCYITK-UHFFFAOYSA-N 1 1 285.815 3.337 20 10 CGCDMO CCC(O)(CC)C[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000862539185 629394830 /nfs/dbraw/zinc/39/48/30/629394830.db2.gz IXEHYLWIDYOCBN-HJWRWDBZSA-N 1 1 290.451 3.249 20 10 CGCDMO CCC(O)(CC)C[N@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000862540022 629396037 /nfs/dbraw/zinc/39/60/37/629396037.db2.gz XDSQLLLOGHKSGB-UHFFFAOYSA-N 1 1 289.778 3.168 20 10 CGCDMO CCC(O)(CC)C[N@@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000862540022 629396041 /nfs/dbraw/zinc/39/60/41/629396041.db2.gz XDSQLLLOGHKSGB-UHFFFAOYSA-N 1 1 289.778 3.168 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC[C@](C)(OC)CC2)c(O)c1 ZINC000793340572 629444948 /nfs/dbraw/zinc/44/49/48/629444948.db2.gz QSFBBWIHJGKRIW-KRWDZBQOSA-N 1 1 293.407 3.182 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1O ZINC000793610716 629490272 /nfs/dbraw/zinc/49/02/72/629490272.db2.gz WTSQEKXVVCJHLD-CABCVRRESA-N 1 1 295.810 3.497 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)c1cnc(C)cn1 ZINC000794381979 629538546 /nfs/dbraw/zinc/53/85/46/629538546.db2.gz FXSIXQLOKJDJAH-AWEZNQCLSA-N 1 1 285.391 3.464 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[C@H](C)C2)c1 ZINC000794840291 629585960 /nfs/dbraw/zinc/58/59/60/629585960.db2.gz IBGVOZRTYVDDTE-RWMBFGLXSA-N 1 1 291.391 3.266 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC(C)=C(C)C2)c1O ZINC000794880215 629594030 /nfs/dbraw/zinc/59/40/30/629594030.db2.gz JHKPSCRARMIXHM-UHFFFAOYSA-N 1 1 261.365 3.251 20 10 CGCDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000795675001 629708400 /nfs/dbraw/zinc/70/84/00/629708400.db2.gz NHZZLBNCDLKOJN-GASCZTMLSA-N 1 1 277.408 3.433 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000798965013 630130537 /nfs/dbraw/zinc/13/05/37/630130537.db2.gz OPGBDCHSRJVZQE-GFCCVEGCSA-N 1 1 288.778 3.430 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](c3ccccn3)C2)cc1C ZINC000798964018 630131061 /nfs/dbraw/zinc/13/10/61/630131061.db2.gz HWISDJOLZUABPL-HNNXBMFYSA-N 1 1 282.387 3.394 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC000799158760 630149965 /nfs/dbraw/zinc/14/99/65/630149965.db2.gz RWVCSPMQPNUOSG-HNNXBMFYSA-N 1 1 282.387 3.394 20 10 CGCDMO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000799730065 630226727 /nfs/dbraw/zinc/22/67/27/630226727.db2.gz WQSVXYJFEUJEKT-XEGUGMAKSA-N 1 1 267.344 3.140 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@H](C)OC ZINC000801595317 630346873 /nfs/dbraw/zinc/34/68/73/630346873.db2.gz LTQKBIXOGVLCRT-ZDUSSCGKSA-N 1 1 251.370 3.029 20 10 CGCDMO Cc1ccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)o1 ZINC000865723349 630455653 /nfs/dbraw/zinc/45/56/53/630455653.db2.gz JQDODBYAUXKZOW-UHFFFAOYSA-N 1 1 280.318 3.222 20 10 CGCDMO CC[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccc(F)cc1O ZINC000806169777 630553203 /nfs/dbraw/zinc/55/32/03/630553203.db2.gz QKKRWCKHFYNWMW-AXFHLTTASA-N 1 1 259.271 3.226 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000840095175 630591140 /nfs/dbraw/zinc/59/11/40/630591140.db2.gz OHUUHBDNBRFFGZ-MSOLQXFVSA-N 1 1 287.403 3.152 20 10 CGCDMO CCC[N@@H+](CCN1CCCC1)Cc1cccc(C)c1O ZINC000809700540 630785911 /nfs/dbraw/zinc/78/59/11/630785911.db2.gz IRVORBDJDINLHZ-UHFFFAOYSA-N 1 1 276.424 3.008 20 10 CGCDMO CCCN(CC[NH+]1CCCC1)Cc1cccc(C)c1O ZINC000809700540 630785913 /nfs/dbraw/zinc/78/59/13/630785913.db2.gz IRVORBDJDINLHZ-UHFFFAOYSA-N 1 1 276.424 3.008 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000809729087 630793277 /nfs/dbraw/zinc/79/32/77/630793277.db2.gz QINJPNTZXKFJMY-HNNXBMFYSA-N 1 1 272.323 3.263 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000809729087 630793284 /nfs/dbraw/zinc/79/32/84/630793284.db2.gz QINJPNTZXKFJMY-HNNXBMFYSA-N 1 1 272.323 3.263 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC[C@H](C3CC3)C2)c(O)c1 ZINC000809787290 630808925 /nfs/dbraw/zinc/80/89/25/630808925.db2.gz YBYSLAUARFRCMA-AWEZNQCLSA-N 1 1 275.392 3.413 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@H](C3CCC3)C2)c(O)cc1C ZINC000840190239 630827208 /nfs/dbraw/zinc/82/72/08/630827208.db2.gz UILIEMIOWZLZGA-AWEZNQCLSA-N 1 1 275.392 3.331 20 10 CGCDMO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2O)[C@H]1[C@H]1CCCO1 ZINC000811510321 631079227 /nfs/dbraw/zinc/07/92/27/631079227.db2.gz CENWMUDWTHOCQU-CABCVRRESA-N 1 1 295.810 3.435 20 10 CGCDMO Cc1ccc(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c(O)c1 ZINC000876540521 634853032 /nfs/dbraw/zinc/85/30/32/634853032.db2.gz ZVONGZLHFWEUHN-UHFFFAOYSA-N 1 1 299.370 3.104 20 10 CGCDMO C[C@H](C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2)CN(C)C ZINC000813877193 631475035 /nfs/dbraw/zinc/47/50/35/631475035.db2.gz NQXZHCKTENQFDJ-ZIAGYGMSSA-N 1 1 290.451 3.119 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H](CSC)C2)c(O)c1 ZINC000814179711 631539406 /nfs/dbraw/zinc/53/94/06/631539406.db2.gz XLIPCXRRMXKXLP-CYBMUJFWSA-N 1 1 295.448 3.366 20 10 CGCDMO CC[C@@H]1CC[N@H+]1Cc1cc(Br)ccc1O ZINC000814178949 631540070 /nfs/dbraw/zinc/54/00/70/631540070.db2.gz KIPWIOCOUVDGSM-LLVKDONJSA-N 1 1 270.170 3.139 20 10 CGCDMO COCC[N@H+](Cc1ccc(N(C)C)c(C)c1)CC(C)C ZINC000815019980 631705420 /nfs/dbraw/zinc/70/54/20/631705420.db2.gz PWOCEASBPXBCHN-UHFFFAOYSA-N 1 1 278.440 3.165 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)ccc1N(C)C ZINC000815034734 631706451 /nfs/dbraw/zinc/70/64/51/631706451.db2.gz AEXNFLDGCHDDAY-QGZVFWFLSA-N 1 1 298.434 3.095 20 10 CGCDMO Cc1cc(C[N@@H+](C)CCc2nccs2)ccc1N(C)C ZINC000815076713 631713064 /nfs/dbraw/zinc/71/30/64/631713064.db2.gz WBDAOMNHSMGYRT-UHFFFAOYSA-N 1 1 289.448 3.192 20 10 CGCDMO Cc1cc(C[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)ccc1N(C)C ZINC000815095673 631716865 /nfs/dbraw/zinc/71/68/65/631716865.db2.gz FVUGYZIPDBDMKB-KDOFPFPSSA-N 1 1 290.451 3.044 20 10 CGCDMO C[C@H]([NH2+]CCCF)c1cccc(C(F)(F)F)c1O ZINC000815597284 631803481 /nfs/dbraw/zinc/80/34/81/631803481.db2.gz RLCQCARCVGNZSE-QMMMGPOBSA-N 1 1 265.250 3.421 20 10 CGCDMO C[C@H]([NH2+][C@@H](C)C(C)(C)O)c1cccc(C(F)(F)F)c1O ZINC000815604178 631804242 /nfs/dbraw/zinc/80/42/42/631804242.db2.gz GVNFFJVFASWKNE-IUCAKERBSA-N 1 1 291.313 3.221 20 10 CGCDMO CC[C@@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)OC ZINC000815628063 631808746 /nfs/dbraw/zinc/80/87/46/631808746.db2.gz QJWSQBVUZWCLFQ-ZJUUUORDSA-N 1 1 291.313 3.487 20 10 CGCDMO CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@@H]1CCOC1 ZINC000816488363 631991028 /nfs/dbraw/zinc/99/10/28/631991028.db2.gz QZYDDYXWCQRNKR-JTQLQIEISA-N 1 1 287.762 3.043 20 10 CGCDMO CC1(C)C[N@@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816492236 631992756 /nfs/dbraw/zinc/99/27/56/631992756.db2.gz MKVVETIYNBACDW-UHFFFAOYSA-N 1 1 271.360 3.156 20 10 CGCDMO Oc1c(C[N@H+]2CCN3CCCC[C@H]3C2)ccc2ccccc21 ZINC000816498044 631994429 /nfs/dbraw/zinc/99/44/29/631994429.db2.gz DLKDKQBUXTTXNE-KRWDZBQOSA-N 1 1 296.414 3.216 20 10 CGCDMO Oc1c(CN2CC[N@@H+]3CCCC[C@H]3C2)ccc2ccccc21 ZINC000816498044 631994438 /nfs/dbraw/zinc/99/44/38/631994438.db2.gz DLKDKQBUXTTXNE-KRWDZBQOSA-N 1 1 296.414 3.216 20 10 CGCDMO Oc1c(CN2CC[N@H+]3CCCC[C@H]3C2)ccc2ccccc21 ZINC000816498044 631994445 /nfs/dbraw/zinc/99/44/45/631994445.db2.gz DLKDKQBUXTTXNE-KRWDZBQOSA-N 1 1 296.414 3.216 20 10 CGCDMO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc2ccccc2c1O ZINC000816495708 631994714 /nfs/dbraw/zinc/99/47/14/631994714.db2.gz GZTXMADNHYRMBA-UHFFFAOYSA-N 1 1 295.386 3.301 20 10 CGCDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816514681 631999678 /nfs/dbraw/zinc/99/96/78/631999678.db2.gz FJGZLCLVDUSYRG-RKDXNWHRSA-N 1 1 257.736 3.415 20 10 CGCDMO C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816514681 631999682 /nfs/dbraw/zinc/99/96/82/631999682.db2.gz FJGZLCLVDUSYRG-RKDXNWHRSA-N 1 1 257.736 3.415 20 10 CGCDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816514681 631999687 /nfs/dbraw/zinc/99/96/87/631999687.db2.gz FJGZLCLVDUSYRG-RKDXNWHRSA-N 1 1 257.736 3.415 20 10 CGCDMO [O-]c1c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc2ccccc21 ZINC000816536336 632005229 /nfs/dbraw/zinc/00/52/29/632005229.db2.gz SJUWZUBIGZVWNV-DLBZAZTESA-N 1 1 296.414 3.262 20 10 CGCDMO [O-]c1c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc2ccccc21 ZINC000816536336 632005235 /nfs/dbraw/zinc/00/52/35/632005235.db2.gz SJUWZUBIGZVWNV-DLBZAZTESA-N 1 1 296.414 3.262 20 10 CGCDMO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816548674 632007347 /nfs/dbraw/zinc/00/73/47/632007347.db2.gz OZMIMFPHCSHCGT-QMMMGPOBSA-N 1 1 297.761 3.077 20 10 CGCDMO CCN(CC)C[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816548906 632009310 /nfs/dbraw/zinc/00/93/10/632009310.db2.gz XCOFKZCVFFBSCA-JTQLQIEISA-N 1 1 288.794 3.005 20 10 CGCDMO C[C@@]1(O)CCC[N@@H+](Cc2ccc3ccccc3c2O)CC1 ZINC000816594672 632020210 /nfs/dbraw/zinc/02/02/10/632020210.db2.gz LXRSYSQUKOYAGT-GOSISDBHSA-N 1 1 285.387 3.282 20 10 CGCDMO CCCC[N@@H+](Cc1conc1C)Cc1ccccc1O ZINC000816601115 632021238 /nfs/dbraw/zinc/02/12/38/632021238.db2.gz RVFCZEMSNGAWJT-UHFFFAOYSA-N 1 1 274.364 3.491 20 10 CGCDMO CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816610268 632022431 /nfs/dbraw/zinc/02/24/31/632022431.db2.gz DWMBZXDTDPMVHW-OAHLLOKOSA-N 1 1 298.430 3.365 20 10 CGCDMO CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816610268 632022436 /nfs/dbraw/zinc/02/24/36/632022436.db2.gz DWMBZXDTDPMVHW-OAHLLOKOSA-N 1 1 298.430 3.365 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC(C)(C)[C@@H]2C(C)C)c1 ZINC000816624655 632026213 /nfs/dbraw/zinc/02/62/13/632026213.db2.gz CDWXHTZKRPWLLD-HNNXBMFYSA-N 1 1 263.381 3.267 20 10 CGCDMO Cc1cccc([C@@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000817939108 632239468 /nfs/dbraw/zinc/23/94/68/632239468.db2.gz ZCUFEGBJNYZGJY-BEFAXECRSA-N 1 1 297.446 3.412 20 10 CGCDMO CC[NH2+]CCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000817942799 632242108 /nfs/dbraw/zinc/24/21/08/632242108.db2.gz FACMXLGUHDJXSE-ZDUSSCGKSA-N 1 1 272.392 3.196 20 10 CGCDMO CC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817954084 632248770 /nfs/dbraw/zinc/24/87/70/632248770.db2.gz BKSQIUKDYXTVJX-BXUZGUMPSA-N 1 1 282.815 3.086 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)CCC[NH3+])c1cc(Cl)ccc1[O-] ZINC000817977216 632268407 /nfs/dbraw/zinc/26/84/07/632268407.db2.gz DYUZUCKRWHDZKM-MFKMUULPSA-N 1 1 270.804 3.214 20 10 CGCDMO Cc1cc(Br)cc(C[NH+]2CC3(CC3)C2)c1O ZINC000824533777 633255390 /nfs/dbraw/zinc/25/53/90/633255390.db2.gz NOMJSBDZCGPXGR-UHFFFAOYSA-N 1 1 282.181 3.059 20 10 CGCDMO Oc1ccc(-c2ccccc2)cc1C[NH2+]C(CF)CF ZINC000824554364 633258999 /nfs/dbraw/zinc/25/89/99/633258999.db2.gz FLDCBFBFVZZYPP-UHFFFAOYSA-N 1 1 277.314 3.456 20 10 CGCDMO COC[C@]1(C)CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000824583820 633262045 /nfs/dbraw/zinc/26/20/45/633262045.db2.gz RKKCDTCFCKOKFA-CQSZACIVSA-N 1 1 287.762 3.043 20 10 CGCDMO COC[C@]1(C)CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000824583820 633262047 /nfs/dbraw/zinc/26/20/47/633262047.db2.gz RKKCDTCFCKOKFA-CQSZACIVSA-N 1 1 287.762 3.043 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000824654415 633269855 /nfs/dbraw/zinc/26/98/55/633269855.db2.gz NWDZTCLBTHDAOE-GFCCVEGCSA-N 1 1 255.720 3.169 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H]1C1CC1 ZINC000824654415 633269860 /nfs/dbraw/zinc/26/98/60/633269860.db2.gz NWDZTCLBTHDAOE-GFCCVEGCSA-N 1 1 255.720 3.169 20 10 CGCDMO CC(C)[C@H](C)[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876573871 634861522 /nfs/dbraw/zinc/86/15/22/634861522.db2.gz GDOORBCOJARAMJ-HNNXBMFYSA-N 1 1 290.451 3.124 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](OC)[C@H](C)C2)cc1 ZINC000824815472 633294319 /nfs/dbraw/zinc/29/43/19/633294319.db2.gz QBCITQLOAXXCAA-QAPCUYQASA-N 1 1 290.451 3.390 20 10 CGCDMO Cc1cc([O-])c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000825122082 633330745 /nfs/dbraw/zinc/33/07/45/633330745.db2.gz WKZDEKJXNSVPCH-ZIAGYGMSSA-N 1 1 294.826 3.070 20 10 CGCDMO Cc1cc([O-])c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000825122082 633330746 /nfs/dbraw/zinc/33/07/46/633330746.db2.gz WKZDEKJXNSVPCH-ZIAGYGMSSA-N 1 1 294.826 3.070 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2O)[C@@H](C)C1 ZINC000825774563 633381401 /nfs/dbraw/zinc/38/14/01/633381401.db2.gz YLMSKEOZJAZVSZ-WCQYABFASA-N 1 1 283.799 3.353 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2O)CCCO1 ZINC000825768438 633381462 /nfs/dbraw/zinc/38/14/62/633381462.db2.gz MGDIAAYQOUVQEG-ZDUSSCGKSA-N 1 1 283.799 3.355 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]2C2CC2)cc1Cl ZINC000826043698 633400847 /nfs/dbraw/zinc/40/08/47/633400847.db2.gz ORJHGMHJRBIEJX-CYBMUJFWSA-N 1 1 251.757 3.338 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000842776678 633410655 /nfs/dbraw/zinc/41/06/55/633410655.db2.gz NPLSQXCQRQOPEW-OPRDCNLKSA-N 1 1 269.747 3.463 20 10 CGCDMO CCOc1cccc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)c1O ZINC000826539482 633412694 /nfs/dbraw/zinc/41/26/94/633412694.db2.gz UUBQEVFNKRZPPC-JSGCOSHPSA-N 1 1 261.365 3.165 20 10 CGCDMO CN(C)CC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C(C)(C)C ZINC000834589877 634193056 /nfs/dbraw/zinc/19/30/56/634193056.db2.gz OVBIXLYQEZQJMT-GOEBONIOSA-N 1 1 290.451 3.336 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]3CSC[C@H]3C2)cc1C ZINC000872721191 634195741 /nfs/dbraw/zinc/19/57/41/634195741.db2.gz CWVWFPUIXYXUNJ-DZGCQCFKSA-N 1 1 277.433 3.194 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)cc1C ZINC000872721194 634196563 /nfs/dbraw/zinc/19/65/63/634196563.db2.gz CWVWFPUIXYXUNJ-ZFWWWQNUSA-N 1 1 277.433 3.194 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cc(Cl)ccc1[O-] ZINC000873245090 634299200 /nfs/dbraw/zinc/29/92/00/634299200.db2.gz PHBFXVCCEDMHJF-DGCLKSJQSA-N 1 1 296.842 3.474 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@H]2C2CC2)cc1 ZINC000835053943 634338313 /nfs/dbraw/zinc/33/83/13/634338313.db2.gz GDUNFAMOJMVDIK-CWIOURORSA-N 1 1 256.393 3.250 20 10 CGCDMO CCc1nocc1C[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835055742 634339292 /nfs/dbraw/zinc/33/92/92/634339292.db2.gz OGLBYTVKDPIEPP-SREVYHEPSA-N 1 1 299.418 3.448 20 10 CGCDMO CCc1nocc1C[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835055742 634339296 /nfs/dbraw/zinc/33/92/96/634339296.db2.gz OGLBYTVKDPIEPP-SREVYHEPSA-N 1 1 299.418 3.448 20 10 CGCDMO COC[C@H]1CCCC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835055076 634339323 /nfs/dbraw/zinc/33/93/23/634339323.db2.gz QJULJQWNVYNDIL-IPLHWJFFSA-N 1 1 288.435 3.267 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccn2C)c(O)c1 ZINC000876546248 634854746 /nfs/dbraw/zinc/85/47/46/634854746.db2.gz UJXLZPZJRPRHFH-INIZCTEOSA-N 1 1 270.376 3.376 20 10 CGCDMO CCN1CC[C@H]([N@H+](C)Cc2c(C)cccc2O)C[C@H]1C ZINC000876759704 634893748 /nfs/dbraw/zinc/89/37/48/634893748.db2.gz QOUGAPIIHRHZAM-CABCVRRESA-N 1 1 276.424 3.005 20 10 CGCDMO CCN1CC[C@H]([N@@H+](C)Cc2c(C)cccc2O)C[C@H]1C ZINC000876759704 634893750 /nfs/dbraw/zinc/89/37/50/634893750.db2.gz QOUGAPIIHRHZAM-CABCVRRESA-N 1 1 276.424 3.005 20 10 CGCDMO CSC[C@H]1CCC[N@H+]1Cc1c(C)cccc1O ZINC000876776633 634898281 /nfs/dbraw/zinc/89/82/81/634898281.db2.gz GHTFRKQBJUJHHD-GFCCVEGCSA-N 1 1 251.395 3.028 20 10 CGCDMO Cc1ccc(C[N@H+](C)C[C@H](C)c2nccs2)c(O)c1 ZINC000877315871 635024333 /nfs/dbraw/zinc/02/43/33/635024333.db2.gz FDGKNZFJUJLEDE-LBPRGKRZSA-N 1 1 276.405 3.393 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+]1CCSCC[C@@H]1C ZINC000877473309 635050089 /nfs/dbraw/zinc/05/00/89/635050089.db2.gz GFWLOFLYJQSVEI-LBPRGKRZSA-N 1 1 251.395 3.028 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCS[C@@H](C)CC1 ZINC000877476152 635051251 /nfs/dbraw/zinc/05/12/51/635051251.db2.gz WQXQLUPFGGNLJK-LBPRGKRZSA-N 1 1 251.395 3.028 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c(O)c1 ZINC000877480092 635053291 /nfs/dbraw/zinc/05/32/91/635053291.db2.gz ZZDCJVKMSWUDAJ-LLVKDONJSA-N 1 1 273.298 3.475 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@H](c3ccccn3)C2)c(O)c1 ZINC000877500026 635062374 /nfs/dbraw/zinc/06/23/74/635062374.db2.gz AECXSPANVRNFND-AWEZNQCLSA-N 1 1 268.360 3.085 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c(O)c1 ZINC000877529288 635072818 /nfs/dbraw/zinc/07/28/18/635072818.db2.gz YJJBGQDJHYYUOU-CVEARBPZSA-N 1 1 289.419 3.339 20 10 CGCDMO CCO[C@@H]1CCC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840907736 635079792 /nfs/dbraw/zinc/07/97/92/635079792.db2.gz HZYDNOKREYQDPX-GFCCVEGCSA-N 1 1 283.799 3.355 20 10 CGCDMO CCc1ncc(C[N@@H+](CC)Cc2ccc(N(C)C)cc2)cn1 ZINC000840907491 635080365 /nfs/dbraw/zinc/08/03/65/635080365.db2.gz FNAWHMMZBGUBST-UHFFFAOYSA-N 1 1 298.434 3.127 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)C[C@H]2CCCCO2)c(Cl)c1 ZINC000840911573 635081360 /nfs/dbraw/zinc/08/13/60/635081360.db2.gz HYSONHNDCUIPNZ-GFCCVEGCSA-N 1 1 283.799 3.355 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840936474 635086207 /nfs/dbraw/zinc/08/62/07/635086207.db2.gz JPACGPJUYXEJAT-QGZVFWFLSA-N 1 1 276.424 3.062 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)CCc1ccccn1 ZINC000840940052 635087341 /nfs/dbraw/zinc/08/73/41/635087341.db2.gz UOJBMKZJCZSSGV-UHFFFAOYSA-N 1 1 283.419 3.131 20 10 CGCDMO CCn1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)n1 ZINC000840956248 635092984 /nfs/dbraw/zinc/09/29/84/635092984.db2.gz MWBAKEAXTNMNNY-UHFFFAOYSA-N 1 1 298.434 3.183 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000877633621 635124035 /nfs/dbraw/zinc/12/40/35/635124035.db2.gz OAZJOGPMKWZVIQ-CRAIPNDOSA-N 1 1 289.419 3.482 20 10 CGCDMO CCOc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)cc1F ZINC000877702951 635153714 /nfs/dbraw/zinc/15/37/14/635153714.db2.gz LXPVYIDHCLXYBH-UHFFFAOYSA-N 1 1 287.334 3.446 20 10 CGCDMO CCOc1ccc(C[N@H+]2Cc3cccc(O)c3C2)cc1F ZINC000877702951 635153717 /nfs/dbraw/zinc/15/37/17/635153717.db2.gz LXPVYIDHCLXYBH-UHFFFAOYSA-N 1 1 287.334 3.446 20 10 CGCDMO Cc1cc(F)ccc1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877704048 635154953 /nfs/dbraw/zinc/15/49/53/635154953.db2.gz YGNLUSPDFNNKKJ-UHFFFAOYSA-N 1 1 257.308 3.356 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2Cc3ccccc3NC(=O)[C@@H]2C)c1 ZINC000877706012 635157152 /nfs/dbraw/zinc/15/71/52/635157152.db2.gz DHDLEDZOQMJZSX-ZDUSSCGKSA-N 1 1 296.370 3.043 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2Cc3ccccc3NC(=O)[C@@H]2C)c1 ZINC000877706012 635157154 /nfs/dbraw/zinc/15/71/54/635157154.db2.gz DHDLEDZOQMJZSX-ZDUSSCGKSA-N 1 1 296.370 3.043 20 10 CGCDMO CSCCC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841764623 635234661 /nfs/dbraw/zinc/23/46/61/635234661.db2.gz QUQFXKRZDRHTBT-SECBINFHSA-N 1 1 259.802 3.449 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCCC[C@@H]1C1CCC1)OCO2 ZINC000843437875 635675930 /nfs/dbraw/zinc/67/59/30/635675930.db2.gz YOUKPYMNQCVFQC-CQSZACIVSA-N 1 1 289.375 3.276 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000844467868 635911261 /nfs/dbraw/zinc/91/12/61/635911261.db2.gz JEILZNRVXYZFAJ-OAHLLOKOSA-N 1 1 280.362 3.374 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c(O)cc1C ZINC000844750351 635958882 /nfs/dbraw/zinc/95/88/82/635958882.db2.gz KPHWYBRVYHUBIK-OAHLLOKOSA-N 1 1 297.345 3.330 20 10 CGCDMO CN1CCC[C@@H]1C[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000211291173 636067784 /nfs/dbraw/zinc/06/77/84/636067784.db2.gz DBQZSMHYKRJWKR-OAHLLOKOSA-N 1 1 284.403 3.071 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1C)[C@H]1CCCOC1 ZINC000846053994 636138858 /nfs/dbraw/zinc/13/88/58/636138858.db2.gz ZXJQHVBLOHBODP-KRWDZBQOSA-N 1 1 276.424 3.062 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c1O ZINC000846107116 636144270 /nfs/dbraw/zinc/14/42/70/636144270.db2.gz FNFKMWJIYCNZFA-CQSZACIVSA-N 1 1 283.318 3.022 20 10 CGCDMO CSC[C@@H]1CCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000130911355 636528459 /nfs/dbraw/zinc/52/84/59/636528459.db2.gz ZQIDTRGQYWZVRX-AWEZNQCLSA-N 1 1 265.422 3.336 20 10 CGCDMO COc1ccc2c(c1)C[N@@H+](Cc1cc(OC)c(C)cc1O)C2 ZINC000848501058 636582364 /nfs/dbraw/zinc/58/23/64/636582364.db2.gz OFSRBKIVSVLMTM-UHFFFAOYSA-N 1 1 299.370 3.234 20 10 CGCDMO COc1ccc2c(c1)C[N@H+](Cc1cc(OC)c(C)cc1O)C2 ZINC000848501058 636582366 /nfs/dbraw/zinc/58/23/66/636582366.db2.gz OFSRBKIVSVLMTM-UHFFFAOYSA-N 1 1 299.370 3.234 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)c1ccc(F)cc1O ZINC000848569245 636611863 /nfs/dbraw/zinc/61/18/63/636611863.db2.gz YBFKZICRLXPMPG-VBNZEHGJSA-N 1 1 292.398 3.199 20 10 CGCDMO CCCN1CCC([N@H+](C)Cc2cccc(CC)c2O)CC1 ZINC000848882702 636671922 /nfs/dbraw/zinc/67/19/22/636671922.db2.gz YNQWFYRRGZQFRQ-UHFFFAOYSA-N 1 1 290.451 3.261 20 10 CGCDMO CCCN1CCC([N@@H+](C)Cc2cccc(CC)c2O)CC1 ZINC000848882702 636671925 /nfs/dbraw/zinc/67/19/25/636671925.db2.gz YNQWFYRRGZQFRQ-UHFFFAOYSA-N 1 1 290.451 3.261 20 10 CGCDMO CCc1cccc(C[N@H+]2C[C@H](N3CCCC3)C[C@@H]2C)c1O ZINC000848909881 636686702 /nfs/dbraw/zinc/68/67/02/636686702.db2.gz BYVOYNBBQOJHJA-WMLDXEAASA-N 1 1 288.435 3.013 20 10 CGCDMO CCc1cccc(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1O ZINC000848909881 636686706 /nfs/dbraw/zinc/68/67/06/636686706.db2.gz BYVOYNBBQOJHJA-WMLDXEAASA-N 1 1 288.435 3.013 20 10 CGCDMO CCc1cccc(C[N@@H+](C)C[C@](C)(O)c2ccccc2)c1O ZINC000848917444 636689930 /nfs/dbraw/zinc/68/99/30/636689930.db2.gz GHSKNPUJXUQJHA-IBGZPJMESA-N 1 1 299.414 3.294 20 10 CGCDMO CCc1cccc(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)c1O ZINC000848917445 636690385 /nfs/dbraw/zinc/69/03/85/636690385.db2.gz GHSKNPUJXUQJHA-LJQANCHMSA-N 1 1 299.414 3.294 20 10 CGCDMO CC[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(F)cc1O ZINC000850482624 637085711 /nfs/dbraw/zinc/08/57/11/637085711.db2.gz QFKOEFGGSNHSLN-DGCLKSJQSA-N 1 1 267.344 3.140 20 10 CGCDMO C[C@@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000850495015 637090912 /nfs/dbraw/zinc/09/09/12/637090912.db2.gz VALDHGKPRBSXFV-ZBFHGGJFSA-N 1 1 289.467 3.276 20 10 CGCDMO C[C@@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000850495015 637090917 /nfs/dbraw/zinc/09/09/17/637090917.db2.gz VALDHGKPRBSXFV-ZBFHGGJFSA-N 1 1 289.467 3.276 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccc(Cl)cc1O ZINC000850546583 637116701 /nfs/dbraw/zinc/11/67/01/637116701.db2.gz MWRNYQKVERNWRZ-PWSUYJOCSA-N 1 1 283.799 3.105 20 10 CGCDMO C[C@H]1CCCC[C@@H]1OCC[N@@H+](C)Cc1ccccc1O ZINC000109771507 637268071 /nfs/dbraw/zinc/26/80/71/637268071.db2.gz RFLVZFQAMSTFIL-YOEHRIQHSA-N 1 1 277.408 3.419 20 10 CGCDMO CCCCOCCC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886487732 637538055 /nfs/dbraw/zinc/53/80/55/637538055.db2.gz RUSMIXWBEDTYMW-LBPRGKRZSA-N 1 1 269.360 3.389 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1ccccn1 ZINC000886489446 637539335 /nfs/dbraw/zinc/53/93/35/637539335.db2.gz IXNGJDJZTPJOFI-MNOVXSKESA-N 1 1 260.312 3.338 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1c(O)cccc1F ZINC000886489157 637539418 /nfs/dbraw/zinc/53/94/18/637539418.db2.gz BGKUMJOMUQSBEP-SNVBAGLBSA-N 1 1 289.306 3.111 20 10 CGCDMO C[C@@H](C[NH2+][C@@H](C)c1c(O)cccc1F)N1CCCCC1 ZINC000886509083 637545712 /nfs/dbraw/zinc/54/57/12/637545712.db2.gz ZTMUCPGOMCLWJE-STQMWFEESA-N 1 1 280.387 3.056 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1c(O)cccc1F ZINC000886540872 637564950 /nfs/dbraw/zinc/56/49/50/637564950.db2.gz LZWMWTXRXSOZPT-FMVNMVDZSA-N 1 1 279.355 3.140 20 10 CGCDMO C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1c(O)cccc1F ZINC000886559753 637581100 /nfs/dbraw/zinc/58/11/00/637581100.db2.gz CTIVFFWIBBTTCZ-USZNOCQGSA-N 1 1 267.344 3.138 20 10 CGCDMO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1c(O)cccc1F ZINC000886562393 637582615 /nfs/dbraw/zinc/58/26/15/637582615.db2.gz YLPLKFRPPJNTOO-IRHXVLAXSA-N 1 1 291.366 3.140 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1c(O)cccc1F ZINC000886610481 637602539 /nfs/dbraw/zinc/60/25/39/637602539.db2.gz BYTQTGALUNTKGC-NWDGAFQWSA-N 1 1 287.334 3.358 20 10 CGCDMO Cc1cc(C[NH2+][C@H](C)c2c(O)cccc2F)ccn1 ZINC000886617543 637609204 /nfs/dbraw/zinc/60/92/04/637609204.db2.gz RDRPTBPPJZHHOY-LLVKDONJSA-N 1 1 260.312 3.086 20 10 CGCDMO C[C@@H]([NH2+]CC[C@@H]1CCCS1)c1c(O)cccc1F ZINC000886646561 637626757 /nfs/dbraw/zinc/62/67/57/637626757.db2.gz MUBQIJYFCLPINQ-MNOVXSKESA-N 1 1 269.385 3.468 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2(C3CC3)CCC2)c1 ZINC000886825400 637710371 /nfs/dbraw/zinc/71/03/71/637710371.db2.gz RWMLCTJWYKYMDJ-NSHDSACASA-N 1 1 289.375 3.162 20 10 CGCDMO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccccc1O ZINC000111235282 637804186 /nfs/dbraw/zinc/80/41/86/637804186.db2.gz OYSZTAKPUKAKCC-UHFFFAOYSA-N 1 1 293.370 3.210 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+](C)CC2=CCSC2)c1 ZINC000853619083 637874372 /nfs/dbraw/zinc/87/43/72/637874372.db2.gz VHBDMCQHMUGRSX-UHFFFAOYSA-N 1 1 263.406 3.114 20 10 CGCDMO Cc1ccc(O)c([C@H](C)[N@H+]2CCOc3ccc(N)cc3C2)c1 ZINC000925755751 638598441 /nfs/dbraw/zinc/59/84/41/638598441.db2.gz XNKFXRUNYKTBCV-ZDUSSCGKSA-N 1 1 298.386 3.238 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000858138650 638640865 /nfs/dbraw/zinc/64/08/65/638640865.db2.gz GZRFCHCZXOGEFS-MRXNPFEDSA-N 1 1 289.467 3.023 20 10 CGCDMO Cc1cc(N(C)C)ccc1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858138650 638640872 /nfs/dbraw/zinc/64/08/72/638640872.db2.gz GZRFCHCZXOGEFS-MRXNPFEDSA-N 1 1 289.467 3.023 20 10 CGCDMO Cc1cc(N(C)C)ccc1CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858138650 638640879 /nfs/dbraw/zinc/64/08/79/638640879.db2.gz GZRFCHCZXOGEFS-MRXNPFEDSA-N 1 1 289.467 3.023 20 10 CGCDMO CCc1onc(C)c1C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000927130877 638845898 /nfs/dbraw/zinc/84/58/98/638845898.db2.gz HOOADXHODISJHG-JTQLQIEISA-N 1 1 278.327 3.241 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccc(F)cc1O ZINC000187868106 640101641 /nfs/dbraw/zinc/10/16/41/640101641.db2.gz NVKPHNQTXYUWQK-CMPLNLGQSA-N 1 1 267.344 3.140 20 10 CGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCCSCC2)c1 ZINC000077442787 640239358 /nfs/dbraw/zinc/23/93/58/640239358.db2.gz VNOPCGIMVQGAFX-UHFFFAOYSA-N 1 1 295.448 3.334 20 10 CGCDMO C[N@H+](Cc1ccccc1O)Cc1c(F)cccc1F ZINC000091974679 640728196 /nfs/dbraw/zinc/72/81/96/640728196.db2.gz NRODLLCIZDIQRI-UHFFFAOYSA-N 1 1 263.287 3.302 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1c(F)cccc1F ZINC000091974679 640728200 /nfs/dbraw/zinc/72/82/00/640728200.db2.gz NRODLLCIZDIQRI-UHFFFAOYSA-N 1 1 263.287 3.302 20 10 CGCDMO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2O)cnn1C ZINC001254721672 806487285 /nfs/dbraw/zinc/48/72/85/806487285.db2.gz UGUGLBJWKCMLSS-DTWKUNHWSA-N 1 1 295.333 3.124 20 10 CGCDMO CC[C@H](C)[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000037323214 798866762 /nfs/dbraw/zinc/86/67/62/798866762.db2.gz ZNKZUOQSLRHQJL-VIFPVBQESA-N 1 1 269.772 3.479 20 10 CGCDMO CC[C@H](C)[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000037323214 798866764 /nfs/dbraw/zinc/86/67/64/798866764.db2.gz ZNKZUOQSLRHQJL-VIFPVBQESA-N 1 1 269.772 3.479 20 10 CGCDMO Cc1nnc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)s1 ZINC000391804709 799478367 /nfs/dbraw/zinc/47/83/67/799478367.db2.gz ISEUBGURORXXKM-SFYZADRCSA-N 1 1 281.356 3.103 20 10 CGCDMO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000391853735 799479213 /nfs/dbraw/zinc/47/92/13/799479213.db2.gz TZJLCXQXCZAYGX-GHMZBOCLSA-N 1 1 290.436 3.324 20 10 CGCDMO CO[C@H](C[NH2+][C@H](C)c1ccc(F)cc1O)C1CCCC1 ZINC000692985047 799806517 /nfs/dbraw/zinc/80/65/17/799806517.db2.gz ZMJFTFZDRMYXJS-BDJLRTHQSA-N 1 1 281.371 3.387 20 10 CGCDMO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC000700818079 799880324 /nfs/dbraw/zinc/88/03/24/799880324.db2.gz JJJNAWABHYASGL-HUUCEWRRSA-N 1 1 276.424 3.083 20 10 CGCDMO C[C@@H]1CCC[N@H+]1Cc1ccc(Br)cc1O ZINC000700863466 799881437 /nfs/dbraw/zinc/88/14/37/799881437.db2.gz SALHYHPZGQDYLA-SECBINFHSA-N 1 1 270.170 3.139 20 10 CGCDMO CCc1cccc(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)c1O ZINC000709022354 800000830 /nfs/dbraw/zinc/00/08/30/800000830.db2.gz VXQNVNHKKSLFBC-OAHLLOKOSA-N 1 1 277.408 3.202 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@H](CF)C1 ZINC000711503446 800064303 /nfs/dbraw/zinc/06/43/03/800064303.db2.gz SHTJHTCZNMKZJW-GFCCVEGCSA-N 1 1 259.324 3.337 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000840169451 800496545 /nfs/dbraw/zinc/49/65/45/800496545.db2.gz DIFBQIVTOFLRTL-STQMWFEESA-N 1 1 271.385 3.235 20 10 CGCDMO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nnc(C3CC3)s2)c1 ZINC000840890490 800501415 /nfs/dbraw/zinc/50/14/15/800501415.db2.gz LMJKVFAJQYVXCQ-JTQLQIEISA-N 1 1 289.404 3.280 20 10 CGCDMO CN(Cc1ccccc1O)C1CC[NH+](C(C)(C)C)CC1 ZINC001256575533 806921051 /nfs/dbraw/zinc/92/10/51/806921051.db2.gz PRXPQTRLEGIXIG-UHFFFAOYSA-N 1 1 276.424 3.087 20 10 CGCDMO C[C@H]1CCC[N@H+](Cc2c(O)cccc2F)C[C@H]1C ZINC001137831758 803777872 /nfs/dbraw/zinc/77/78/72/803777872.db2.gz MKJSONBQXXXGDH-NWDGAFQWSA-N 1 1 251.345 3.399 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2c(O)cccc2F)C[C@H]1C ZINC001137831758 803777879 /nfs/dbraw/zinc/77/78/79/803777879.db2.gz MKJSONBQXXXGDH-NWDGAFQWSA-N 1 1 251.345 3.399 20 10 CGCDMO Oc1cccc(F)c1C[NH+]1CCC(OC2CCC2)CC1 ZINC001137832956 803779953 /nfs/dbraw/zinc/77/99/53/803779953.db2.gz NLXWOENCBBKMSC-UHFFFAOYSA-N 1 1 279.355 3.065 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001137837304 803780816 /nfs/dbraw/zinc/78/08/16/803780816.db2.gz AMVSUCHOJXLSOO-ZDUSSCGKSA-N 1 1 286.350 3.306 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001137837304 803780820 /nfs/dbraw/zinc/78/08/20/803780820.db2.gz AMVSUCHOJXLSOO-ZDUSSCGKSA-N 1 1 286.350 3.306 20 10 CGCDMO Cc1[nH+]cc2n1CCN(Cc1c(C)n(C)c3ccccc31)C2 ZINC001138253899 803882589 /nfs/dbraw/zinc/88/25/89/803882589.db2.gz KCXKGAMRWGBURJ-UHFFFAOYSA-N 1 1 294.402 3.007 20 10 CGCDMO CN1CCCc2cc(C[N@@H+]3CC[C@](C)(F)[C@@H](F)C3)ccc21 ZINC001138354612 803899900 /nfs/dbraw/zinc/89/99/00/803899900.db2.gz PESJRLXTMKDVSC-IRXDYDNUSA-N 1 1 294.389 3.341 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CC[C@](C)(F)[C@@H](F)C3)ccc21 ZINC001138354612 803899907 /nfs/dbraw/zinc/89/99/07/803899907.db2.gz PESJRLXTMKDVSC-IRXDYDNUSA-N 1 1 294.389 3.341 20 10 CGCDMO Cc1n[nH]c(C)c1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001139099352 804127672 /nfs/dbraw/zinc/12/76/72/804127672.db2.gz WIPPDNVDPUBBRO-UHFFFAOYSA-N 1 1 298.434 3.259 20 10 CGCDMO CC[N@@H+](Cc1cccc(Cl)n1)Cc1ccccc1O ZINC001139552323 804205062 /nfs/dbraw/zinc/20/50/62/804205062.db2.gz VFPBRVLRGNVDJO-UHFFFAOYSA-N 1 1 276.767 3.463 20 10 CGCDMO CCOc1ccncc1C[N@@H+](CC)Cc1ccccc1O ZINC001139629063 804235945 /nfs/dbraw/zinc/23/59/45/804235945.db2.gz KNTPZKRIDXQKLQ-UHFFFAOYSA-N 1 1 286.375 3.208 20 10 CGCDMO CCCC[C@@H]1C[C@@H](NCc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC001246309382 804272300 /nfs/dbraw/zinc/27/23/00/804272300.db2.gz KJWYHQXHLUGYPV-SJORKVTESA-N 1 1 289.467 3.153 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001140055100 804362123 /nfs/dbraw/zinc/36/21/23/804362123.db2.gz IPJXOHVTXLFOOR-VIFPVBQESA-N 1 1 259.271 3.008 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+](C)Cc2cccc3c2OCO3)c1O ZINC001140185565 804398112 /nfs/dbraw/zinc/39/81/12/804398112.db2.gz ZECATOJVEWCTBX-UHFFFAOYSA-N 1 1 299.370 3.370 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001140466469 804442761 /nfs/dbraw/zinc/44/27/61/804442761.db2.gz GSLDUQDFZUMSFS-GFCCVEGCSA-N 1 1 273.710 3.277 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1c1cnccn1 ZINC001140466225 804443450 /nfs/dbraw/zinc/44/34/50/804443450.db2.gz BUHWDECVMBKDLJ-AWEZNQCLSA-N 1 1 289.766 3.173 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@H]1c1cnccn1 ZINC001140466225 804443455 /nfs/dbraw/zinc/44/34/55/804443455.db2.gz BUHWDECVMBKDLJ-AWEZNQCLSA-N 1 1 289.766 3.173 20 10 CGCDMO C[N@@H+](C1CC1)C1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001140466134 804443992 /nfs/dbraw/zinc/44/39/92/804443992.db2.gz YEAWPMSIIWCONR-UHFFFAOYSA-N 1 1 294.826 3.104 20 10 CGCDMO CC(C)O[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140466161 804444391 /nfs/dbraw/zinc/44/43/91/804444391.db2.gz ZJSXBDNFLNXERG-ZDUSSCGKSA-N 1 1 269.772 3.045 20 10 CGCDMO CCC[N@@H+](Cc1cc(C)ccc1O)C1CCOCC1 ZINC001140623817 804478030 /nfs/dbraw/zinc/47/80/30/804478030.db2.gz STXGJCLKADATKB-UHFFFAOYSA-N 1 1 263.381 3.092 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c1O ZINC001140745963 804503661 /nfs/dbraw/zinc/50/36/61/804503661.db2.gz QVAPELWZOFBWOA-INIZCTEOSA-N 1 1 299.370 3.060 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](CC)C(C)C)c(O)c1 ZINC001140851512 804532991 /nfs/dbraw/zinc/53/29/91/804532991.db2.gz KGMZBIMNRGBIAK-UHFFFAOYSA-N 1 1 264.413 3.469 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](CF)C2)c(O)c1 ZINC001140855325 804533396 /nfs/dbraw/zinc/53/33/96/804533396.db2.gz VGGJLUXBUZMDRT-CQSZACIVSA-N 1 1 294.414 3.420 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@](C)(O)CC2)c(Cl)c1 ZINC001140922002 804548497 /nfs/dbraw/zinc/54/84/97/804548497.db2.gz ZNIAOJLCNHMHGW-INIZCTEOSA-N 1 1 296.842 3.143 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)Cc2cccs2)c(OC)c1 ZINC001141028193 804575918 /nfs/dbraw/zinc/57/59/18/804575918.db2.gz FKAZJSFIAPVKKS-UHFFFAOYSA-N 1 1 293.388 3.103 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074883 804584674 /nfs/dbraw/zinc/58/46/74/804584674.db2.gz WBTRHDDXHJBXME-CQSZACIVSA-N 1 1 270.420 3.227 20 10 CGCDMO CSCC[N@@H+](C)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078473 804585347 /nfs/dbraw/zinc/58/53/47/804585347.db2.gz XFDCIKHFFLRURD-UHFFFAOYSA-N 1 1 290.476 3.180 20 10 CGCDMO CN1CCOc2cc(C[N@H+]3CC[C@@H]4CCC[C@H]4C3)ccc21 ZINC001141142089 804597141 /nfs/dbraw/zinc/59/71/41/804597141.db2.gz FEPXHYBJMYVELK-HOTGVXAUSA-N 1 1 286.419 3.137 20 10 CGCDMO C[N@@H+](Cc1cc(O)ccc1O)Cc1cccc2cccnc21 ZINC001141159329 804600372 /nfs/dbraw/zinc/60/03/72/804600372.db2.gz FCINPRQXHIIHPG-UHFFFAOYSA-N 1 1 294.354 3.278 20 10 CGCDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(O)ccc2O)cc1 ZINC001141158537 804600463 /nfs/dbraw/zinc/60/04/63/804600463.db2.gz CXWPJUIIAKNOPG-QGZVFWFLSA-N 1 1 299.370 3.444 20 10 CGCDMO C[C@H]1C[C@H](C)C[NH+](Cc2cc(F)c(F)cc2O)C1 ZINC001142527071 804733865 /nfs/dbraw/zinc/73/38/65/804733865.db2.gz JQEQTTHCASIYOK-UWVGGRQHSA-N 1 1 255.308 3.148 20 10 CGCDMO CC(C)N1CC[NH+](Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143103584 804801076 /nfs/dbraw/zinc/80/10/76/804801076.db2.gz FYERCVZYPNQFGP-UHFFFAOYSA-N 1 1 290.451 3.216 20 10 CGCDMO CCOC(=O)CC[N@@H+](C)Cc1cccc(C(C)(C)C)c1O ZINC001143111193 804803035 /nfs/dbraw/zinc/80/30/35/804803035.db2.gz ZFLJEMQHDNFWDV-UHFFFAOYSA-N 1 1 293.407 3.075 20 10 CGCDMO C[N@@H+](Cc1cccc(C(C)(C)C)c1O)[C@H]1CCCOC1 ZINC001143117219 804806057 /nfs/dbraw/zinc/80/60/57/804806057.db2.gz XWNPLODNOPDYTI-AWEZNQCLSA-N 1 1 277.408 3.301 20 10 CGCDMO CC[NH+](CC)Cc1cc(Br)c(F)cc1O ZINC001144298386 804969386 /nfs/dbraw/zinc/96/93/86/804969386.db2.gz CSLPLRRCSFUVJB-UHFFFAOYSA-N 1 1 276.149 3.136 20 10 CGCDMO CC(C)(C)c1cc(O)c(C[N@H+]2CC[C@@](C)(O)C2)cc1Cl ZINC001248880750 805031544 /nfs/dbraw/zinc/03/15/44/805031544.db2.gz MFRACJPZTAUNAS-MRXNPFEDSA-N 1 1 297.826 3.300 20 10 CGCDMO C[N@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)CC1CC1 ZINC001249224202 805115147 /nfs/dbraw/zinc/11/51/47/805115147.db2.gz UOERPFOAHAGMDE-UHFFFAOYSA-N 1 1 273.376 3.418 20 10 CGCDMO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC001261201546 807715026 /nfs/dbraw/zinc/71/50/26/807715026.db2.gz GLFQIKOLHMHYAD-LALPHHSUSA-N 1 1 297.402 3.119 20 10 CGCDMO CC[NH+](CC)c1ccc(N(CCO)c2ccc(N)cc2)cc1 ZINC001212969852 815192369 /nfs/dbraw/zinc/19/23/69/815192369.db2.gz DWWLUNZSDGCHMZ-UHFFFAOYSA-N 1 1 299.418 3.245 20 10 CGCDMO Cc1cccc(Nc2cc[nH+]c3ccccc23)c1O ZINC001174038000 808835291 /nfs/dbraw/zinc/83/52/91/808835291.db2.gz CRPAXRWFYMYQSQ-UHFFFAOYSA-N 1 1 250.301 3.414 20 10 CGCDMO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)C[C@H](C2CC2)O1 ZINC001181373939 810049121 /nfs/dbraw/zinc/04/91/21/810049121.db2.gz UUGUGVHLVIILAC-ZUZCIYMTSA-N 1 1 281.783 3.045 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2O)C[C@H](C2CC2)O1 ZINC001181373939 810049125 /nfs/dbraw/zinc/04/91/25/810049125.db2.gz UUGUGVHLVIILAC-ZUZCIYMTSA-N 1 1 281.783 3.045 20 10 CGCDMO Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)c(O)c1 ZINC001182183976 810097830 /nfs/dbraw/zinc/09/78/30/810097830.db2.gz LFVDDVULOPCLBD-MRXNPFEDSA-N 1 1 257.377 3.465 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC[C@H](OC(C)C)C2)c(O)c1 ZINC001182726322 810121303 /nfs/dbraw/zinc/12/13/03/810121303.db2.gz RGVYKJNMKMUYCL-AWEZNQCLSA-N 1 1 293.407 3.099 20 10 CGCDMO Cc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)c(F)c1 ZINC001183455699 810149068 /nfs/dbraw/zinc/14/90/68/810149068.db2.gz WFYSQVPSQHFNQW-UHFFFAOYSA-N 1 1 257.308 3.356 20 10 CGCDMO Cc1ccc(C[N@H+]2Cc3cccc(O)c3C2)c(F)c1 ZINC001183455699 810149072 /nfs/dbraw/zinc/14/90/72/810149072.db2.gz WFYSQVPSQHFNQW-UHFFFAOYSA-N 1 1 257.308 3.356 20 10 CGCDMO CC(C)(C)[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)CCO1 ZINC001184374274 810197025 /nfs/dbraw/zinc/19/70/25/810197025.db2.gz LFMCNSRJKQIVIR-AWEZNQCLSA-N 1 1 299.361 3.307 20 10 CGCDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)CCO1 ZINC001184374274 810197026 /nfs/dbraw/zinc/19/70/26/810197026.db2.gz LFMCNSRJKQIVIR-AWEZNQCLSA-N 1 1 299.361 3.307 20 10 CGCDMO C[C@H](c1ccccc1)[N@@H+](CCO)Cc1ccc(N(C)C)cc1 ZINC001192359365 810791025 /nfs/dbraw/zinc/79/10/25/810791025.db2.gz ZSMWVFXYFCUGOY-MRXNPFEDSA-N 1 1 298.430 3.308 20 10 CGCDMO Cc1ncc(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001203112033 812243097 /nfs/dbraw/zinc/24/30/97/812243097.db2.gz VRXDVRJTFYJNMD-UHFFFAOYSA-N 1 1 296.418 3.017 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCc3cc(O)ccc3C2)c1O ZINC001203603046 812404982 /nfs/dbraw/zinc/40/49/82/812404982.db2.gz HJBRVLBMCYDAHU-UHFFFAOYSA-N 1 1 299.370 3.055 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@@H]2c2ccc(C)nc2)c1O ZINC001203599880 812405273 /nfs/dbraw/zinc/40/52/73/812405273.db2.gz MKYWTWFWCWLYLD-MRXNPFEDSA-N 1 1 298.386 3.441 20 10 CGCDMO CCC(CC)[N@@H+](CC)Cc1ccc(OC)cc1O ZINC001203628985 812410501 /nfs/dbraw/zinc/41/05/01/812410501.db2.gz MKWPHTHRFSCPAG-UHFFFAOYSA-N 1 1 251.370 3.411 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001203651759 812414841 /nfs/dbraw/zinc/41/48/41/812414841.db2.gz UATVJYVAXSAOOP-NHYWBVRUSA-N 1 1 281.783 3.047 20 10 CGCDMO Oc1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)cc1O ZINC001203880806 812479788 /nfs/dbraw/zinc/47/97/88/812479788.db2.gz ZZSSHBPGZURTLK-CQSZACIVSA-N 1 1 255.317 3.045 20 10 CGCDMO Oc1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)cc1O ZINC001203880806 812479790 /nfs/dbraw/zinc/47/97/90/812479790.db2.gz ZZSSHBPGZURTLK-CQSZACIVSA-N 1 1 255.317 3.045 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H](F)C2)cc1 ZINC001203929470 812494676 /nfs/dbraw/zinc/49/46/76/812494676.db2.gz DIDSNTAPBBDTFD-CQSZACIVSA-N 1 1 250.361 3.077 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)cc1 ZINC001203931493 812494754 /nfs/dbraw/zinc/49/47/54/812494754.db2.gz RVOUWLVFKARUBD-HUUCEWRRSA-N 1 1 268.351 3.025 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@](C)(F)[C@H](F)C2)cc1 ZINC001203931493 812494762 /nfs/dbraw/zinc/49/47/62/812494762.db2.gz RVOUWLVFKARUBD-HUUCEWRRSA-N 1 1 268.351 3.025 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)CC2CC(F)(F)C2)cc1 ZINC001203937878 812497713 /nfs/dbraw/zinc/49/77/13/812497713.db2.gz WUAILJYCLJAVGB-UHFFFAOYSA-N 1 1 268.351 3.230 20 10 CGCDMO COc1ccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)cc1 ZINC001203957699 812502406 /nfs/dbraw/zinc/50/24/06/812502406.db2.gz QPFQQRXMDWLDDE-UHFFFAOYSA-N 1 1 299.370 3.055 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1c[nH]c3ccccc13)CC2 ZINC001204049029 812534165 /nfs/dbraw/zinc/53/41/65/812534165.db2.gz SECJAWAJKLUMFL-UHFFFAOYSA-N 1 1 278.355 3.432 20 10 CGCDMO CC[N@@H+](Cc1ccc(C(=O)OC)cc1)Cc1ccccc1O ZINC001204147994 812557151 /nfs/dbraw/zinc/55/71/51/812557151.db2.gz GJPLSNRTYXBIRM-UHFFFAOYSA-N 1 1 299.370 3.201 20 10 CGCDMO Oc1cccc2c1C[N@H+](Cc1c(F)cccc1F)CC2 ZINC001204205834 812573268 /nfs/dbraw/zinc/57/32/68/812573268.db2.gz IRTKFKKEEBXKPT-UHFFFAOYSA-N 1 1 275.298 3.229 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1c(F)cccc1F)CC2 ZINC001204205834 812573272 /nfs/dbraw/zinc/57/32/72/812573272.db2.gz IRTKFKKEEBXKPT-UHFFFAOYSA-N 1 1 275.298 3.229 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)CCC1=O ZINC001204232691 812580653 /nfs/dbraw/zinc/58/06/53/812580653.db2.gz IOQISBRQYJSSLP-CQSZACIVSA-N 1 1 296.414 3.317 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)CCC1=O ZINC001204232691 812580663 /nfs/dbraw/zinc/58/06/63/812580663.db2.gz IOQISBRQYJSSLP-CQSZACIVSA-N 1 1 296.414 3.317 20 10 CGCDMO C[N@@H+](CCc1cccnc1)Cc1ccc(N2CCCC2)cc1 ZINC001204320863 812611100 /nfs/dbraw/zinc/61/11/00/812611100.db2.gz BFZNPUKOVBISEL-UHFFFAOYSA-N 1 1 295.430 3.356 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2CN)cc1 ZINC001205064566 812843347 /nfs/dbraw/zinc/84/33/47/812843347.db2.gz QYRZRPLNKICOHX-LIRRHRJNSA-N 1 1 297.446 3.406 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2[C@@H](C)CC[C@H]2CN)cc1 ZINC001205064566 812843353 /nfs/dbraw/zinc/84/33/53/812843353.db2.gz QYRZRPLNKICOHX-LIRRHRJNSA-N 1 1 297.446 3.406 20 10 CGCDMO [NH3+][C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001205095133 812861402 /nfs/dbraw/zinc/86/14/02/812861402.db2.gz UPYKICVEZPZSFH-NSHDSACASA-N 1 1 289.206 3.012 20 10 CGCDMO [NH3+][C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001205095133 812861406 /nfs/dbraw/zinc/86/14/06/812861406.db2.gz UPYKICVEZPZSFH-NSHDSACASA-N 1 1 289.206 3.012 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2CN)cc1 ZINC001205805844 813085918 /nfs/dbraw/zinc/08/59/18/813085918.db2.gz SEDSTXGNDWANIM-MAUKXSAKSA-N 1 1 289.467 3.092 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2CN)cc1 ZINC001205805844 813085926 /nfs/dbraw/zinc/08/59/26/813085926.db2.gz SEDSTXGNDWANIM-MAUKXSAKSA-N 1 1 289.467 3.092 20 10 CGCDMO C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC001205913893 813131577 /nfs/dbraw/zinc/13/15/77/813131577.db2.gz KLYXUCPOSNTVOB-HIFRSBDPSA-N 1 1 284.403 3.105 20 10 CGCDMO C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC001205913893 813131582 /nfs/dbraw/zinc/13/15/82/813131582.db2.gz KLYXUCPOSNTVOB-HIFRSBDPSA-N 1 1 284.403 3.105 20 10 CGCDMO CC(C)c1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c([O-])c1 ZINC001206026504 813170343 /nfs/dbraw/zinc/17/03/43/813170343.db2.gz SNWRGLXTHINKHE-GOEBONIOSA-N 1 1 290.451 3.322 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c([O-])c1 ZINC001206026504 813170347 /nfs/dbraw/zinc/17/03/47/813170347.db2.gz SNWRGLXTHINKHE-GOEBONIOSA-N 1 1 290.451 3.322 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CC(C)(C)[C@H]2C2CC2)c(O)c1 ZINC001206116811 813205259 /nfs/dbraw/zinc/20/52/59/813205259.db2.gz TUKJMMXHXWHYOP-MRXNPFEDSA-N 1 1 275.392 3.330 20 10 CGCDMO Cc1ccc(Nc2cc[nH+]cc2C(F)(F)F)c(O)c1 ZINC001206247846 813255380 /nfs/dbraw/zinc/25/53/80/813255380.db2.gz XZXNGXDODNIRRJ-UHFFFAOYSA-N 1 1 268.238 3.280 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c(O)c1 ZINC001206441005 813322833 /nfs/dbraw/zinc/32/28/33/813322833.db2.gz UZFUYNNXLVHEGV-BBRMVZONSA-N 1 1 275.392 3.474 20 10 CGCDMO CCc1ccc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c([O-])c1 ZINC001206598733 813369626 /nfs/dbraw/zinc/36/96/26/813369626.db2.gz LWWILTNWOOTMNP-KRWDZBQOSA-N 1 1 290.451 3.307 20 10 CGCDMO CCc1ccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c([O-])c1 ZINC001206598733 813369635 /nfs/dbraw/zinc/36/96/35/813369635.db2.gz LWWILTNWOOTMNP-KRWDZBQOSA-N 1 1 290.451 3.307 20 10 CGCDMO CN(C)c1ccc(CN(C)CCC[NH+]2CCCCC2)cc1 ZINC001209452881 814047035 /nfs/dbraw/zinc/04/70/35/814047035.db2.gz UTXIDEXGFZDRIS-UHFFFAOYSA-N 1 1 289.467 3.060 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@H](N(C)C)C2)cc1 ZINC001209518420 814072462 /nfs/dbraw/zinc/07/24/62/814072462.db2.gz LHFUDBNXSTVECZ-IBGZPJMESA-N 1 1 297.446 3.230 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@H](N(C)C)C2)cc1 ZINC001209518420 814072464 /nfs/dbraw/zinc/07/24/64/814072464.db2.gz LHFUDBNXSTVECZ-IBGZPJMESA-N 1 1 297.446 3.230 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@@H]2COCc2ccccc2)c1O ZINC001231593158 818132352 /nfs/dbraw/zinc/13/23/52/818132352.db2.gz PYGGHBGPMREFRW-GOSISDBHSA-N 1 1 297.398 3.492 20 10 CGCDMO Cc1cccc(C[N@H+](C(C)C)C2CCN(C)CC2)c1O ZINC001231595167 818133000 /nfs/dbraw/zinc/13/30/00/818133000.db2.gz PKSWTIHPWBQOQP-UHFFFAOYSA-N 1 1 276.424 3.005 20 10 CGCDMO Cc1cccc(C[N@H+](CCCCCO)C(C)C)c1O ZINC001231594649 818133284 /nfs/dbraw/zinc/13/32/84/818133284.db2.gz MNJRTZMYLZAPSK-UHFFFAOYSA-N 1 1 265.397 3.074 20 10 CGCDMO CC[N@@H+](Cc1ccccc1)Cc1cc(OC)c(O)cc1O ZINC001231634615 818144579 /nfs/dbraw/zinc/14/45/79/818144579.db2.gz PWJUCLDOCUFJCR-UHFFFAOYSA-N 1 1 287.359 3.129 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)c(O)c1 ZINC001231843016 818185787 /nfs/dbraw/zinc/18/57/87/818185787.db2.gz SCTGKEVDBJRNTE-ZBFHGGJFSA-N 1 1 287.403 3.343 20 10 CGCDMO Cc1cc(C)c(C[N@@H+](C)Cc2cncs2)c(O)c1 ZINC001231849102 818188423 /nfs/dbraw/zinc/18/84/23/818188423.db2.gz MQMLRQALRGENLM-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO Cc1cc(C)c(C[N@@H+](C)Cc2cccnc2C)c(O)c1 ZINC001231849504 818188480 /nfs/dbraw/zinc/18/84/80/818188480.db2.gz QUHBHMURWMNLES-UHFFFAOYSA-N 1 1 270.376 3.344 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@@](C)(F)C1 ZINC001231849717 818189406 /nfs/dbraw/zinc/18/94/06/818189406.db2.gz XGVVYVWREOJMNH-QGZVFWFLSA-N 1 1 294.414 3.475 20 10 CGCDMO CN1CCC([N@@H+](C)Cc2ccc3ccccc3c2O)CC1 ZINC001231877999 818197496 /nfs/dbraw/zinc/19/74/96/818197496.db2.gz CRIZGIYPVCWXJL-UHFFFAOYSA-N 1 1 284.403 3.071 20 10 CGCDMO C[C@H]1CC[C@H](CO)C[N@H+]1Cc1ccc2ccccc2c1O ZINC001231879234 818198741 /nfs/dbraw/zinc/19/87/41/818198741.db2.gz AYEWPZQJWMSPBO-KBPBESRZSA-N 1 1 285.387 3.138 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](F)CC1 ZINC001231909931 818209677 /nfs/dbraw/zinc/20/96/77/818209677.db2.gz TXAOBJSWGYRPKR-NSHDSACASA-N 1 1 257.736 3.370 20 10 CGCDMO C[C@H]1CCCC[N@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232259357 818296466 /nfs/dbraw/zinc/29/64/66/818296466.db2.gz WNBOJVXENLBVNG-VIFPVBQESA-N 1 1 255.745 3.126 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC3(CCC3)C2)cc1Cl ZINC001232269465 818299416 /nfs/dbraw/zinc/29/94/16/818299416.db2.gz BIAJUZWVTWQRNF-UHFFFAOYSA-N 1 1 281.783 3.430 20 10 CGCDMO COc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H]2C3)cc1Cl ZINC001232270167 818300304 /nfs/dbraw/zinc/30/03/04/818300304.db2.gz WIAPZVPKZGCXHY-GXSJLCMTSA-N 1 1 267.756 3.039 20 10 CGCDMO COc1cccc(C)c1C[N@H+]1CCc2cccc(O)c2C1 ZINC001232623835 818403232 /nfs/dbraw/zinc/40/32/32/818403232.db2.gz SQYPKXSPKHWXRP-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccs2)c(O)c1 ZINC001232839824 818453703 /nfs/dbraw/zinc/45/37/03/818453703.db2.gz WRPRUXDZCGRZHO-UHFFFAOYSA-N 1 1 276.405 3.152 20 10 CGCDMO CC[N@@H+](Cc1cc(C)cc(O)c1)Cc1ccccc1O ZINC001232885875 818465368 /nfs/dbraw/zinc/46/53/68/818465368.db2.gz NJMIPKNUTZDWLC-UHFFFAOYSA-N 1 1 271.360 3.428 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@](C)(O)C2)c1 ZINC001233286031 818567493 /nfs/dbraw/zinc/56/74/93/818567493.db2.gz BRUAHYQMWRUCIC-KRWDZBQOSA-N 1 1 277.408 3.037 20 10 CGCDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233284466 818567723 /nfs/dbraw/zinc/56/77/23/818567723.db2.gz VPOPHONPEQBTFP-IUODEOHRSA-N 1 1 277.408 3.035 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]3C[C@H]32)c1O ZINC001233290395 818570779 /nfs/dbraw/zinc/57/07/79/818570779.db2.gz AGNOWKUBPHLJHE-JOYOIKCWSA-N 1 1 267.756 3.039 20 10 CGCDMO CC[N@H+](Cc1cccc(C(F)(F)F)c1O)CC(C)(C)O ZINC001233419306 818614598 /nfs/dbraw/zinc/61/45/98/818614598.db2.gz SNYZDCALPULZMA-UHFFFAOYSA-N 1 1 291.313 3.004 20 10 CGCDMO CC[N@@H+](Cc1cccc(C(F)(F)F)c1O)CC(C)(C)O ZINC001233419306 818614605 /nfs/dbraw/zinc/61/46/05/818614605.db2.gz SNYZDCALPULZMA-UHFFFAOYSA-N 1 1 291.313 3.004 20 10 CGCDMO Oc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001233454125 818622788 /nfs/dbraw/zinc/62/27/88/818622788.db2.gz HWCZCYPCGOXQKL-ZMLRMANQSA-N 1 1 289.272 3.343 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CC[C@H](C3CCCCC3)C2)cc1O ZINC001233486574 818625605 /nfs/dbraw/zinc/62/56/05/818625605.db2.gz SNVNOQIGQUVWCU-ZDUSSCGKSA-N 1 1 291.391 3.206 20 10 CGCDMO CCN1CCc2cc(O[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)ccc21 ZINC001233607173 818657218 /nfs/dbraw/zinc/65/72/18/818657218.db2.gz IVMDCHPAVYPVQN-SCAQPMJSSA-N 1 1 286.419 3.073 20 10 CGCDMO COc1ccc2ccc(O)c(C[N@@H+]3CCC(=O)C[C@H]3C)c2c1 ZINC001234525266 818873468 /nfs/dbraw/zinc/87/34/68/818873468.db2.gz DGEYEZGIAXCTJI-GFCCVEGCSA-N 1 1 299.370 3.107 20 10 CGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCC(=O)C[C@H]3C)c2c1 ZINC001234525266 818873474 /nfs/dbraw/zinc/87/34/74/818873474.db2.gz DGEYEZGIAXCTJI-GFCCVEGCSA-N 1 1 299.370 3.107 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001234997311 818971734 /nfs/dbraw/zinc/97/17/34/818971734.db2.gz ASXUSUVAGNJWKT-SFHVURJKSA-N 1 1 288.435 3.091 20 10 CGCDMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235676856 819137428 /nfs/dbraw/zinc/13/74/28/819137428.db2.gz WRHMGDFFBHRULA-DOMZBBRYSA-N 1 1 277.408 3.035 20 10 CGCDMO CC(C)(C)C[N@@H+](Cc1c([O-])cccc1F)C1CC[NH2+]CC1 ZINC001236458581 819486471 /nfs/dbraw/zinc/48/64/71/819486471.db2.gz UBOFTLRIWNCJRB-UHFFFAOYSA-N 1 1 294.414 3.131 20 10 CGCDMO Cc1ccc(C)c(CN(CC(C)C)[C@@H]2CCC[NH2+]C2)c1O ZINC001236477739 819495362 /nfs/dbraw/zinc/49/53/62/819495362.db2.gz KYKHHLKUMFTEKP-MRXNPFEDSA-N 1 1 290.451 3.219 20 10 CGCDMO CCc1ccc(C[N@H+]2CCn3cccc3[C@@H]2C)c(O)c1 ZINC001236786361 819594618 /nfs/dbraw/zinc/59/46/18/819594618.db2.gz AMYBUQAYJVYMCO-ZDUSSCGKSA-N 1 1 270.376 3.333 20 10 CGCDMO CC(C)[N@H+](CCCO)Cc1cc(Cl)c(Cl)cc1O ZINC001236796399 819598439 /nfs/dbraw/zinc/59/84/39/819598439.db2.gz ORRYLTHMUXRWGK-UHFFFAOYSA-N 1 1 292.206 3.292 20 10 CGCDMO CC(C)[N@@H+](CCCO)Cc1cc(Cl)c(Cl)cc1O ZINC001236796399 819598442 /nfs/dbraw/zinc/59/84/42/819598442.db2.gz ORRYLTHMUXRWGK-UHFFFAOYSA-N 1 1 292.206 3.292 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c(O)c1 ZINC001236806882 819601610 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/nfs/dbraw/zinc/61/02/61/819610261.db2.gz MBDWBMOJZGLSBQ-SUMWQHHRSA-N 1 1 285.387 3.138 20 10 CGCDMO CC[N@@H+](CCn1cccn1)Cc1cc2ccccc2cc1O ZINC001236833164 819613550 /nfs/dbraw/zinc/61/35/50/819613550.db2.gz OWQFCXYAOTTWJY-UHFFFAOYSA-N 1 1 295.386 3.264 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CC[C@H](C)[C@@](C)(O)CC2)c(O)c1 ZINC001237047021 819650191 /nfs/dbraw/zinc/65/01/91/819650191.db2.gz YQNBHQDHOOGQJX-KSSFIOAISA-N 1 1 291.435 3.499 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c(O)c1 ZINC001237050351 819651671 /nfs/dbraw/zinc/65/16/71/819651671.db2.gz AONBNDFSGJBCJA-GOEBONIOSA-N 1 1 287.403 3.317 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCCC[C@@H](F)C2)c(O)c1 ZINC001237050149 819652848 /nfs/dbraw/zinc/65/28/48/819652848.db2.gz QKNBRZDVKKKUQX-CYBMUJFWSA-N 1 1 267.344 3.115 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+](C)Cc1nc2ccccc2o1 ZINC001237488046 819762022 /nfs/dbraw/zinc/76/20/22/819762022.db2.gz PWXVMFHXUWZFIQ-UHFFFAOYSA-N 1 1 282.343 3.474 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](C(=O)c2ccccc2)C1 ZINC001237495294 819763640 /nfs/dbraw/zinc/76/36/40/819763640.db2.gz OVTBJEMXSYNQBB-MRXNPFEDSA-N 1 1 295.382 3.405 20 10 CGCDMO CC(=O)C[N@H+](C)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237642059 819795095 /nfs/dbraw/zinc/79/50/95/819795095.db2.gz YGKBAZWHFHCFMD-UHFFFAOYSA-N 1 1 287.334 3.219 20 10 CGCDMO CC[C@H]1CCCC[N@H+]1Cc1cc(OC)cc(OC)c1O ZINC001237675703 819803546 /nfs/dbraw/zinc/80/35/46/819803546.db2.gz CQRPBDVEGWBLLK-ZDUSSCGKSA-N 1 1 279.380 3.174 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c(O)c(OC)c1 ZINC001237678636 819803812 /nfs/dbraw/zinc/80/38/12/819803812.db2.gz QGTLBCKFRQWWQF-SWLSCSKDSA-N 1 1 291.391 3.174 20 10 CGCDMO COCC[N@@H+](Cc1cc(Cl)cc(C)c1O)C(C)C ZINC001237687884 819808602 /nfs/dbraw/zinc/80/86/02/819808602.db2.gz XQZVTDCEJXLNQW-UHFFFAOYSA-N 1 1 271.788 3.211 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC001237935192 819890282 /nfs/dbraw/zinc/89/02/82/819890282.db2.gz AYTDSZGWGYKKSG-LBPRGKRZSA-N 1 1 291.700 3.416 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001237935192 819890295 /nfs/dbraw/zinc/89/02/95/819890295.db2.gz AYTDSZGWGYKKSG-LBPRGKRZSA-N 1 1 291.700 3.416 20 10 CGCDMO CC(C)COCC[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC001172485878 928222245 /nfs/dbraw/zinc/22/22/45/928222245.db2.gz ZREDAHXEUDMPNJ-CQSZACIVSA-N 1 1 265.397 3.275 20 10 CGCDMO COC[C@]1(C)CC[N@@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001560846061 937237794 /nfs/dbraw/zinc/23/77/94/937237794.db2.gz XZXXSFIAZUCMID-QGZVFWFLSA-N 1 1 277.408 3.374 20 10 CGCDMO C[C@H](COc1ccccc1)[NH2+]Cc1cc(F)cc(F)c1O ZINC001461118743 937564493 /nfs/dbraw/zinc/56/44/93/937564493.db2.gz YDAIKFYCWYJTCE-LLVKDONJSA-N 1 1 293.313 3.228 20 10 CGCDMO COC[C@@H](CC(C)(C)C)[NH2+]Cc1cc(F)cc(F)c1O ZINC001461607233 937588232 /nfs/dbraw/zinc/58/82/32/937588232.db2.gz VXXSNNMUXYKVRK-GFCCVEGCSA-N 1 1 287.350 3.211 20 10 CGCDMO CC[C@@H](C)[C@@H](C[N@@H+](C)Cc1ccc(N(C)C)cc1)OC ZINC001461838643 937600947 /nfs/dbraw/zinc/60/09/47/937600947.db2.gz OPVAOJXUQMMKLY-RHSMWYFYSA-N 1 1 278.440 3.246 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+]CC[C@H]1CCCS1 ZINC001462480119 937644277 /nfs/dbraw/zinc/64/42/77/937644277.db2.gz OAEWUUWROMCVGY-SNVBAGLBSA-N 1 1 273.348 3.046 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCOC[C@]2(C)C2CC2)cc1 ZINC001308140283 933056699 /nfs/dbraw/zinc/05/66/99/933056699.db2.gz IVRFDSTUCXZWHN-GOSISDBHSA-N 1 1 288.435 3.144 20 10 CGCDMO CCC[C@@H](C[N@@H+](CCC)Cc1ccccc1O)OC ZINC001308617083 933142790 /nfs/dbraw/zinc/14/27/90/933142790.db2.gz IKPNCDVTXSGTBG-HNNXBMFYSA-N 1 1 265.397 3.419 20 10 CGCDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC001308728373 933165329 /nfs/dbraw/zinc/16/53/29/933165329.db2.gz GKAJDFVAJGMXIS-INIZCTEOSA-N 1 1 297.826 3.481 20 10 CGCDMO Oc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC001308829366 933185814 /nfs/dbraw/zinc/18/58/14/933185814.db2.gz IEFWBAQNDGYSLM-QWHCGFSZSA-N 1 1 251.757 3.324 20 10 CGCDMO CC1(C)CC[C@H](CO)[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001308915651 933203979 /nfs/dbraw/zinc/20/39/79/933203979.db2.gz YXDPEAQZQIPABA-GFCCVEGCSA-N 1 1 283.799 3.029 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001308920677 933204657 /nfs/dbraw/zinc/20/46/57/933204657.db2.gz ZEHPXCROCBIRKZ-NURSFMCSSA-N 1 1 267.319 3.339 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC001474746833 934009434 /nfs/dbraw/zinc/00/94/34/934009434.db2.gz GLSJKRKUTCAYMD-FPXTWJHWSA-N 1 1 270.420 3.498 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCCC[C@H]1N(C)C)c1ccc(F)cc1O ZINC001320410421 934044656 /nfs/dbraw/zinc/04/46/56/934044656.db2.gz BDWMWQSBMQDBPC-TUKIKUTGSA-N 1 1 280.387 3.055 20 10 CGCDMO CC(C)(O)C[N@@H+](Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001320485993 934052573 /nfs/dbraw/zinc/05/25/73/934052573.db2.gz JKCQPRKXOAEWOU-UHFFFAOYSA-N 1 1 288.435 3.022 20 10 CGCDMO CC(C)C[C@H](CO)[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001327421354 935058630 /nfs/dbraw/zinc/05/86/30/935058630.db2.gz XCYLDGIFPGXZIA-GOSISDBHSA-N 1 1 290.451 3.126 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C/C=C\C1CC1 ZINC001327817396 935086372 /nfs/dbraw/zinc/08/63/72/935086372.db2.gz ZAZKABPNXSVSQY-UPHRSURJSA-N 1 1 255.720 3.241 20 10 CGCDMO [O-]c1c(F)cc(F)cc1C[N@H+]1CCOCC2(CCCC2)C1 ZINC001331547744 935392484 /nfs/dbraw/zinc/39/24/84/935392484.db2.gz IEAIXQRUAPYAEH-UHFFFAOYSA-N 1 1 297.345 3.063 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCOCC2(CCCC2)C1 ZINC001331547744 935392494 /nfs/dbraw/zinc/39/24/94/935392494.db2.gz IEAIXQRUAPYAEH-UHFFFAOYSA-N 1 1 297.345 3.063 20 10 CGCDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(N)cc2)C1 ZINC001334774276 936112803 /nfs/dbraw/zinc/11/28/03/936112803.db2.gz HRGYGCVPBHSAMJ-HUUCEWRRSA-N 1 1 264.438 3.375 20 10 CGCDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1ccc(N(C)CC)cc1 ZINC001559835585 938236831 /nfs/dbraw/zinc/23/68/31/938236831.db2.gz OMQCYOWISZMHSN-QGZVFWFLSA-N 1 1 289.467 3.059 20 10 CGCDMO CC[C@@H]1CN(CC)CC[N@@H+]1Cc1ccc(N(C)CC)cc1 ZINC001559835585 938236832 /nfs/dbraw/zinc/23/68/32/938236832.db2.gz OMQCYOWISZMHSN-QGZVFWFLSA-N 1 1 289.467 3.059 20 10 CGCDMO CC[C@@H]1CN(CC)CC[N@H+]1Cc1ccc(N(C)CC)cc1 ZINC001559835585 938236833 /nfs/dbraw/zinc/23/68/33/938236833.db2.gz OMQCYOWISZMHSN-QGZVFWFLSA-N 1 1 289.467 3.059 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+]CCc1ccc(F)c(F)c1 ZINC001560760638 938274444 /nfs/dbraw/zinc/27/44/44/938274444.db2.gz KZESJZHNXPAXOY-UHFFFAOYSA-N 1 1 299.267 3.281 20 10 CGCDMO Nc1ccc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC001580443480 962722373 /nfs/dbraw/zinc/72/23/73/962722373.db2.gz JYSOOMUEDYMKRG-QGZVFWFLSA-N 1 1 286.375 3.043 20 10 CGCDMO Nc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC001580443625 962727343 /nfs/dbraw/zinc/72/73/43/962727343.db2.gz TVVZMLCAWRPQDG-SJORKVTESA-N 1 1 286.419 3.050 20 10 CGCDMO COc1cccc(C[N@@H+]([C@H](C)C2CC2)C2CC2)c1O ZINC000092009778 370087090 /nfs/dbraw/zinc/08/70/90/370087090.db2.gz WECKNUVMIZBJHR-LLVKDONJSA-N 1 1 261.365 3.164 20 10 CGCDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000290385597 371979379 /nfs/dbraw/zinc/97/93/79/371979379.db2.gz IJUGBBABANMNIH-AWEZNQCLSA-N 1 1 289.354 3.208 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000293676484 372446453 /nfs/dbraw/zinc/44/64/53/372446453.db2.gz QZUVICLQODXWOJ-IAQYHMDHSA-N 1 1 299.773 3.232 20 10 CGCDMO COCC(C)(C)[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000293882721 372511180 /nfs/dbraw/zinc/51/11/80/372511180.db2.gz JVYZJTPDDHHWEY-UHFFFAOYSA-N 1 1 275.751 3.042 20 10 CGCDMO COCC(C)(C)[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000293882721 372511184 /nfs/dbraw/zinc/51/11/84/372511184.db2.gz JVYZJTPDDHHWEY-UHFFFAOYSA-N 1 1 275.751 3.042 20 10 CGCDMO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(N(C)C)cc1 ZINC000295866331 372940709 /nfs/dbraw/zinc/94/07/09/372940709.db2.gz FUZOZNOMSOANAN-ZVRJUHEZSA-N 1 1 287.451 3.028 20 10 CGCDMO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000297573492 373274299 /nfs/dbraw/zinc/27/42/99/373274299.db2.gz GUZVBVGXYGFRSW-AWEZNQCLSA-N 1 1 298.434 3.136 20 10 CGCDMO CCC[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC000180318865 373991035 /nfs/dbraw/zinc/99/10/35/373991035.db2.gz SUYJRQDBMMPYQU-GFCCVEGCSA-N 1 1 269.772 3.047 20 10 CGCDMO CCC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC000180318865 373991038 /nfs/dbraw/zinc/99/10/38/373991038.db2.gz SUYJRQDBMMPYQU-GFCCVEGCSA-N 1 1 269.772 3.047 20 10 CGCDMO C[C@H](C[N@@H+](C)Cc1ccccc1O)c1nccs1 ZINC000183253739 374392627 /nfs/dbraw/zinc/39/26/27/374392627.db2.gz PJZZGGAWNGJVII-LLVKDONJSA-N 1 1 262.378 3.084 20 10 CGCDMO C[C@@H](C[N@@H+](C)Cc1ccccc1O)c1nccs1 ZINC000183253721 374393378 /nfs/dbraw/zinc/39/33/78/374393378.db2.gz PJZZGGAWNGJVII-NSHDSACASA-N 1 1 262.378 3.084 20 10 CGCDMO Cc1cccc(C[N@H+](C)C[C@H](C)c2nccs2)c1O ZINC000183254849 374393734 /nfs/dbraw/zinc/39/37/34/374393734.db2.gz VDIPOQRSXQJHRX-LBPRGKRZSA-N 1 1 276.405 3.393 20 10 CGCDMO COc1ccc(N(CCn2cc[nH+]c2C)C(C)C)cc1F ZINC000270878897 378408772 /nfs/dbraw/zinc/40/87/72/378408772.db2.gz NEPMCVRDMKZFOW-UHFFFAOYSA-N 1 1 291.370 3.254 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000272338372 378615650 /nfs/dbraw/zinc/61/56/50/378615650.db2.gz YDWWRRPRIBFDAM-CQSZACIVSA-N 1 1 260.312 3.197 20 10 CGCDMO CC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278214696 379319873 /nfs/dbraw/zinc/31/98/73/379319873.db2.gz KRGQBDFWYLIUIY-GFCCVEGCSA-N 1 1 294.351 3.074 20 10 CGCDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278214696 379319875 /nfs/dbraw/zinc/31/98/75/379319875.db2.gz KRGQBDFWYLIUIY-GFCCVEGCSA-N 1 1 294.351 3.074 20 10 CGCDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2cccc(C)c2O)no1 ZINC000375023680 379485809 /nfs/dbraw/zinc/48/58/09/379485809.db2.gz VHZUPBJPPURFCJ-HNNXBMFYSA-N 1 1 272.348 3.334 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])[C@@H](C)C1 ZINC000282300140 379893759 /nfs/dbraw/zinc/89/37/59/379893759.db2.gz MFYGJRQFZLVFSO-CMPLNLGQSA-N 1 1 269.772 3.045 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@H](N3CCCC3)C[C@H]2C)cc1C ZINC000285264593 380144936 /nfs/dbraw/zinc/14/49/36/380144936.db2.gz XYUPBUJHTMOGCD-NVXWUHKLSA-N 1 1 288.435 3.068 20 10 CGCDMO Cc1cc(O)c(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1C ZINC000285264593 380144940 /nfs/dbraw/zinc/14/49/40/380144940.db2.gz XYUPBUJHTMOGCD-NVXWUHKLSA-N 1 1 288.435 3.068 20 10 CGCDMO CC[C@@H]([NH2+]CC1(O)CCCCC1)c1ccc(F)cc1O ZINC000286165981 380169160 /nfs/dbraw/zinc/16/91/60/380169160.db2.gz QDPWZXPPDTVUJG-CQSZACIVSA-N 1 1 281.371 3.267 20 10 CGCDMO CC[C@@H]([NH2+]CCc1nccs1)c1ccc(F)cc1O ZINC000286215249 380177396 /nfs/dbraw/zinc/17/73/96/380177396.db2.gz SFDZUMKIAVHMGU-GFCCVEGCSA-N 1 1 280.368 3.271 20 10 CGCDMO CCC[C@@H](CCO)C[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000286275233 380188022 /nfs/dbraw/zinc/18/80/22/380188022.db2.gz VNWRNSWIEAYTPS-WFASDCNBSA-N 1 1 283.387 3.371 20 10 CGCDMO CC[C@H]([NH2+]CCc1ccccn1)c1ccc(F)cc1O ZINC000285877070 380152364 /nfs/dbraw/zinc/15/23/64/380152364.db2.gz ZGJBMNOFUYUILE-HNNXBMFYSA-N 1 1 274.339 3.210 20 10 CGCDMO Cc1cc(C[N@@H+]2CC[C@@H]2C)c(O)cc1Br ZINC001250120455 805427568 /nfs/dbraw/zinc/42/75/68/805427568.db2.gz DWPFKLWJXOKJPF-VIFPVBQESA-N 1 1 270.170 3.057 20 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ZINC000896639023 620041708 /nfs/dbraw/zinc/04/17/08/620041708.db2.gz SYCDMJVTGKNMBQ-UHFFFAOYSA-N 1 1 273.298 3.445 20 10 CGCDMO CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841743956 620345241 /nfs/dbraw/zinc/34/52/41/620345241.db2.gz DMJUEDDIKCGPQP-RYUDHWBXSA-N 1 1 282.815 3.038 20 10 CGCDMO C[N@@H+](CCCc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000054513271 620378266 /nfs/dbraw/zinc/37/82/66/620378266.db2.gz LHPYACIZQWGWQW-UHFFFAOYSA-N 1 1 299.370 3.186 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCOC12CCCC2)c1ccc(F)cc1O ZINC000903381521 621724229 /nfs/dbraw/zinc/72/42/29/621724229.db2.gz AQVZJJOAWCAQLW-XHDPSFHLSA-N 1 1 279.355 3.284 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCSC(C)(C)C2)cc1F ZINC000769448515 625570939 /nfs/dbraw/zinc/57/09/39/625570939.db2.gz TYWKTZAKWGZHRU-UHFFFAOYSA-N 1 1 282.428 3.219 20 10 CGCDMO CC[C@H]1CCC[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000164008490 622810371 /nfs/dbraw/zinc/81/03/71/622810371.db2.gz QJCWXUGXRNUZPD-ZDUSSCGKSA-N 1 1 263.381 3.331 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccnc1C ZINC000156848617 622847804 /nfs/dbraw/zinc/84/78/04/622847804.db2.gz WWDMTCHSLLNNOK-UHFFFAOYSA-N 1 1 283.419 3.478 20 10 CGCDMO CN(C)c1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1 ZINC000225302319 622905147 /nfs/dbraw/zinc/90/51/47/622905147.db2.gz QYMFZZWYOMBOEJ-UHFFFAOYSA-N 1 1 281.812 3.152 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](CCC[NH3+])Cc2ccccc2)c1 ZINC000230002663 623184624 /nfs/dbraw/zinc/18/46/24/623184624.db2.gz IBSHPBPJHAKQES-UHFFFAOYSA-N 1 1 284.403 3.052 20 10 CGCDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000230392985 623236491 /nfs/dbraw/zinc/23/64/91/623236491.db2.gz GLUUUQJVHOEVDN-GFCCVEGCSA-N 1 1 251.345 3.399 20 10 CGCDMO CS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2O)C1 ZINC000230664448 623262570 /nfs/dbraw/zinc/26/25/70/623262570.db2.gz VZXWLUPHWUHEAU-ZMLRMANQSA-N 1 1 269.385 3.466 20 10 CGCDMO C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(F)cc1[O-] ZINC000062744822 623265293 /nfs/dbraw/zinc/26/52/93/623265293.db2.gz BSCLTWUKIRCTAH-KGLIPLIRSA-N 1 1 294.414 3.446 20 10 CGCDMO Cc1cccc(C[N@H+](C)Cc2cc3c(cc2O)OCO3)c1 ZINC000917482650 624273628 /nfs/dbraw/zinc/27/36/28/624273628.db2.gz LJJWPXUNBQAVSQ-UHFFFAOYSA-N 1 1 285.343 3.061 20 10 CGCDMO Cc1cccc(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)c1O ZINC000180192538 624725592 /nfs/dbraw/zinc/72/55/92/624725592.db2.gz LFFCGKCXNOIMJJ-AWEZNQCLSA-N 1 1 285.387 3.469 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+]2[C@H](C)CC[C@@H]2C)c1O ZINC000184702599 625262858 /nfs/dbraw/zinc/26/28/58/625262858.db2.gz BZWNEMNEPXHIAB-AOOOYVTPSA-N 1 1 269.772 3.427 20 10 CGCDMO CC1(C)C[C@H](C[NH2+]Cc2cc(F)cc(F)c2O)C(C)(C)O1 ZINC000922949487 626106034 /nfs/dbraw/zinc/10/60/34/626106034.db2.gz ZWKVVWWSEQRPHI-LLVKDONJSA-N 1 1 299.361 3.354 20 10 CGCDMO CC[C@](C)(O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788592404 626183922 /nfs/dbraw/zinc/18/39/22/626183922.db2.gz BXOGDQVZHBNISQ-ZANVPECISA-N 1 1 291.313 3.223 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)C[C@@H]2CC=CCC2)c1 ZINC000753574211 626456016 /nfs/dbraw/zinc/45/60/16/626456016.db2.gz APOKXDQNIUCCPT-CYBMUJFWSA-N 1 1 261.365 3.189 20 10 CGCDMO C[C@H]1CSCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000754156530 626561768 /nfs/dbraw/zinc/56/17/68/626561768.db2.gz SDYFYTIFLQUISD-SECBINFHSA-N 1 1 289.803 3.370 20 10 CGCDMO C[C@H]1CSCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000754156530 626561770 /nfs/dbraw/zinc/56/17/70/626561770.db2.gz SDYFYTIFLQUISD-SECBINFHSA-N 1 1 289.803 3.370 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000754732906 626585469 /nfs/dbraw/zinc/58/54/69/626585469.db2.gz WNMCPFJICHKGIB-MRXNPFEDSA-N 1 1 285.391 3.043 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCCCC[C@H]2C)c1O ZINC000754741746 626585810 /nfs/dbraw/zinc/58/58/10/626585810.db2.gz NDBSBMRABNOBHD-CYBMUJFWSA-N 1 1 263.381 3.474 20 10 CGCDMO CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756398285 626701656 /nfs/dbraw/zinc/70/16/56/626701656.db2.gz UIBCHLMAXKHVFU-NSHDSACASA-N 1 1 286.366 3.051 20 10 CGCDMO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756534799 626713381 /nfs/dbraw/zinc/71/33/81/626713381.db2.gz OURLUIUEZWCFBZ-BDAKNGLRSA-N 1 1 295.333 3.124 20 10 CGCDMO C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)c1cc(F)cc(F)c1O ZINC000756635873 626722629 /nfs/dbraw/zinc/72/26/29/626722629.db2.gz BIYZHCWOPMALBA-JJMVLAAESA-N 1 1 299.361 3.262 20 10 CGCDMO C[C@H]([NH2+]CC1(CO)CCCCC1)c1cc(F)cc(F)c1O ZINC000756738382 626728936 /nfs/dbraw/zinc/72/89/36/626728936.db2.gz GPNAYEUFGOEFKR-NSHDSACASA-N 1 1 299.361 3.264 20 10 CGCDMO Cc1ncc(CC[NH2+][C@H](C)c2ccc(F)cc2O)s1 ZINC000756763009 626730251 /nfs/dbraw/zinc/73/02/51/626730251.db2.gz WOCWBKHUFZMXOA-SECBINFHSA-N 1 1 280.368 3.190 20 10 CGCDMO Oc1ccc(F)cc1C[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000758062995 626824545 /nfs/dbraw/zinc/82/45/45/626824545.db2.gz QDINVBFSXXAVJO-KRWDZBQOSA-N 1 1 293.382 3.312 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000758062995 626824547 /nfs/dbraw/zinc/82/45/47/626824547.db2.gz QDINVBFSXXAVJO-KRWDZBQOSA-N 1 1 293.382 3.312 20 10 CGCDMO CCC[N@@H+](CCN1CCCC1)Cc1ccc(N(C)C)cc1 ZINC000760818459 626994291 /nfs/dbraw/zinc/99/42/91/626994291.db2.gz DYXMOESDCZEALZ-UHFFFAOYSA-N 1 1 289.467 3.060 20 10 CGCDMO CCCN(CC[NH+]1CCCC1)Cc1ccc(N(C)C)cc1 ZINC000760818459 626994294 /nfs/dbraw/zinc/99/42/94/626994294.db2.gz DYXMOESDCZEALZ-UHFFFAOYSA-N 1 1 289.467 3.060 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](CC)CCC2CC2)c1 ZINC000761225258 627027426 /nfs/dbraw/zinc/02/74/26/627027426.db2.gz AVHCVWYXXYJGIU-UHFFFAOYSA-N 1 1 263.381 3.413 20 10 CGCDMO CN(C)c1ccc(CNc2[nH+]c3ccccc3n2C)cc1F ZINC000762519180 627114455 /nfs/dbraw/zinc/11/44/55/627114455.db2.gz DESGZQJXUYEAML-UHFFFAOYSA-N 1 1 298.365 3.391 20 10 CGCDMO Oc1ccc2ccncc2c1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000763332556 627151871 /nfs/dbraw/zinc/15/18/71/627151871.db2.gz MLMXISHHQADGSH-AWEZNQCLSA-N 1 1 268.360 3.172 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)NCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000766379989 627325148 /nfs/dbraw/zinc/32/51/48/627325148.db2.gz BCKZWDSLTQUSTO-HZPDHXFCSA-N 1 1 289.467 3.135 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)NCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000766379989 627325152 /nfs/dbraw/zinc/32/51/52/627325152.db2.gz BCKZWDSLTQUSTO-HZPDHXFCSA-N 1 1 289.467 3.135 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)CCOC(C)(C)C)cc1C ZINC000767772893 627436310 /nfs/dbraw/zinc/43/63/10/627436310.db2.gz BWJXGBGORLECRJ-UHFFFAOYSA-N 1 1 265.397 3.256 20 10 CGCDMO CCCN(CCC)c1ccc(C[N@H+]2CCC[C@@H](O)C2)cc1 ZINC000768140128 627462950 /nfs/dbraw/zinc/46/29/50/627462950.db2.gz CBOQAJCZKRBCJM-GOSISDBHSA-N 1 1 290.451 3.270 20 10 CGCDMO CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000768269970 627471630 /nfs/dbraw/zinc/47/16/30/627471630.db2.gz SZUQTGILGWUHKJ-GFCCVEGCSA-N 1 1 252.377 3.368 20 10 CGCDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cc(OC)c(C)cc1O ZINC000768466422 627481319 /nfs/dbraw/zinc/48/13/19/627481319.db2.gz QGUBITNGZUCIDG-BXUZGUMPSA-N 1 1 263.381 3.330 20 10 CGCDMO CC[C@H](C)C[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000768767214 627496974 /nfs/dbraw/zinc/49/69/74/627496974.db2.gz MBDPSZVDSXTDED-LBPRGKRZSA-N 1 1 252.377 3.370 20 10 CGCDMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(N(C)C)cc2)on1 ZINC000768878519 627505686 /nfs/dbraw/zinc/50/56/86/627505686.db2.gz QEOGLBYGNYXHJS-INIZCTEOSA-N 1 1 285.391 3.386 20 10 CGCDMO CC(C)(C)[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000769319723 627540847 /nfs/dbraw/zinc/54/08/47/627540847.db2.gz YDCXFTCTTTVITO-OAHLLOKOSA-N 1 1 277.364 3.131 20 10 CGCDMO CC(C)C[C@H]1COCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000769397553 627548423 /nfs/dbraw/zinc/54/84/23/627548423.db2.gz FFAYYPBDLOLUSQ-LBPRGKRZSA-N 1 1 283.799 3.293 20 10 CGCDMO CC(C)C[C@H]1COCC[N@H+]1Cc1c(O)cccc1Cl ZINC000769397553 627548425 /nfs/dbraw/zinc/54/84/25/627548425.db2.gz FFAYYPBDLOLUSQ-LBPRGKRZSA-N 1 1 283.799 3.293 20 10 CGCDMO COC[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000769403866 627549529 /nfs/dbraw/zinc/54/95/29/627549529.db2.gz YASDSQFHYWTFJO-KRWDZBQOSA-N 1 1 288.435 3.145 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000770371557 627615559 /nfs/dbraw/zinc/61/55/59/627615559.db2.gz AUSIVVABFPUVCE-DLBZAZTESA-N 1 1 288.435 3.001 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000773774876 627914702 /nfs/dbraw/zinc/91/47/02/627914702.db2.gz VBBWQGCIKJHPRB-UHFFFAOYSA-N 1 1 284.403 3.480 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)[C@H]2CCSC2)cc1 ZINC000773807388 627916967 /nfs/dbraw/zinc/91/69/67/627916967.db2.gz XWUYCOWHBZGVMH-HNNXBMFYSA-N 1 1 264.438 3.080 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](C(F)F)C2)cc1 ZINC000773827152 627917184 /nfs/dbraw/zinc/91/71/84/627917184.db2.gz VXBQGDHWAZFAHX-ZDUSSCGKSA-N 1 1 268.351 3.230 20 10 CGCDMO CCN(C)c1ccc(C[NH2+][C@@H](C)c2nnc(C)s2)cc1 ZINC000773843797 627920292 /nfs/dbraw/zinc/92/02/92/627920292.db2.gz FSOPCSNKXMCPOR-NSHDSACASA-N 1 1 290.436 3.153 20 10 CGCDMO COc1c(O)c(C[NH2+]C(C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000775037071 628055632 /nfs/dbraw/zinc/05/56/32/628055632.db2.gz KFROGDHYAVKMHK-UHFFFAOYSA-N 1 1 296.367 3.079 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)Cc2cccc(C)c2)c1 ZINC000775649316 628119170 /nfs/dbraw/zinc/11/91/70/628119170.db2.gz ODODFLTXCLBBMG-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO Oc1ccccc1C[N@@H+](CCCn1ccnc1)C1CCCC1 ZINC000775971069 628154305 /nfs/dbraw/zinc/15/43/05/628154305.db2.gz GAIDTHOEGUZRPU-UHFFFAOYSA-N 1 1 299.418 3.424 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000777439898 628270178 /nfs/dbraw/zinc/27/01/78/628270178.db2.gz QIYJIKRQKOQHSO-HNNXBMFYSA-N 1 1 295.810 3.437 20 10 CGCDMO CC[N@@H+](Cc1ccc(CO)cc1)Cc1ccc(N(C)C)cc1 ZINC000778933318 628378493 /nfs/dbraw/zinc/37/84/93/628378493.db2.gz IWNLXSZBWMCALX-UHFFFAOYSA-N 1 1 298.430 3.267 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H](C)C2)c1 ZINC000781903361 628604371 /nfs/dbraw/zinc/60/43/71/628604371.db2.gz ZUMIRABOYSZDLY-VIFPVBQESA-N 1 1 284.197 3.305 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H](C)C2)c1 ZINC000781903361 628604372 /nfs/dbraw/zinc/60/43/72/628604372.db2.gz ZUMIRABOYSZDLY-VIFPVBQESA-N 1 1 284.197 3.305 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H]2C)c1 ZINC000781914467 628605040 /nfs/dbraw/zinc/60/50/40/628605040.db2.gz XQIFMQQBVJBDJT-JTQLQIEISA-N 1 1 284.197 3.447 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H]2C)c1 ZINC000781914467 628605045 /nfs/dbraw/zinc/60/50/45/628605045.db2.gz XQIFMQQBVJBDJT-JTQLQIEISA-N 1 1 284.197 3.447 20 10 CGCDMO C[N@@H+](CCc1cccc(F)c1F)Cc1ccccc1O ZINC000784179380 628791323 /nfs/dbraw/zinc/79/13/23/628791323.db2.gz UTJMARKJGSBIPF-UHFFFAOYSA-N 1 1 277.314 3.345 20 10 CGCDMO CC[C@]1(C)C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000785984457 628904419 /nfs/dbraw/zinc/90/44/19/628904419.db2.gz FHDJRNSNZJSWMX-CQSZACIVSA-N 1 1 269.772 3.047 20 10 CGCDMO CC[C@]1(C)C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000785984457 628904421 /nfs/dbraw/zinc/90/44/21/628904421.db2.gz FHDJRNSNZJSWMX-CQSZACIVSA-N 1 1 269.772 3.047 20 10 CGCDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000789593091 629149337 /nfs/dbraw/zinc/14/93/37/629149337.db2.gz LTRGNMYLKPDLMT-SFHVURJKSA-N 1 1 290.451 3.126 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2cccc(C)c2O)nc1 ZINC000789595287 629149504 /nfs/dbraw/zinc/14/95/04/629149504.db2.gz SKWSQGBWHALKFE-UHFFFAOYSA-N 1 1 256.349 3.036 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCSCC[C@@H]2C)c1O ZINC000790480054 629212397 /nfs/dbraw/zinc/21/23/97/629212397.db2.gz WYTLFQWTGCOORP-LBPRGKRZSA-N 1 1 281.421 3.037 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000792169948 629343469 /nfs/dbraw/zinc/34/34/69/629343469.db2.gz NTECQAKNQLJWIB-JTQLQIEISA-N 1 1 269.747 3.417 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000792169948 629343473 /nfs/dbraw/zinc/34/34/73/629343473.db2.gz NTECQAKNQLJWIB-JTQLQIEISA-N 1 1 269.747 3.417 20 10 CGCDMO CC1=CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862352858 629347067 /nfs/dbraw/zinc/34/70/67/629347067.db2.gz NVJKGUKORDVQOQ-UHFFFAOYSA-N 1 1 282.181 3.307 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)c1 ZINC000862482134 629384864 /nfs/dbraw/zinc/38/48/64/629384864.db2.gz DQRCPDSOKRHBTM-IBGZPJMESA-N 1 1 297.398 3.184 20 10 CGCDMO CCC(O)(CC)C[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000862540047 629396383 /nfs/dbraw/zinc/39/63/83/629396383.db2.gz XZWXGTNNAHIZBO-UHFFFAOYSA-N 1 1 289.778 3.168 20 10 CGCDMO CCC(O)(CC)C[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000862540047 629396388 /nfs/dbraw/zinc/39/63/88/629396388.db2.gz XZWXGTNNAHIZBO-UHFFFAOYSA-N 1 1 289.778 3.168 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cc1C ZINC000793220086 629430384 /nfs/dbraw/zinc/43/03/84/629430384.db2.gz QYCTVXITHVSIOF-DYVFJYSZSA-N 1 1 275.392 3.008 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC000793230939 629433464 /nfs/dbraw/zinc/43/34/64/629433464.db2.gz IVJYURNYUYKVGP-CMPLNLGQSA-N 1 1 273.298 3.473 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c1O ZINC000793610720 629490183 /nfs/dbraw/zinc/49/01/83/629490183.db2.gz WTSQEKXVVCJHLD-HUUCEWRRSA-N 1 1 295.810 3.497 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)CC2(C)COC2)cc1C(C)C ZINC000863299732 629527439 /nfs/dbraw/zinc/52/74/39/629527439.db2.gz SHVPBDRMRLHVJI-UHFFFAOYSA-N 1 1 277.408 3.292 20 10 CGCDMO COc1cc(C[N@H+]2CCC(C)=C(C)C2)c(O)cc1C ZINC000794878426 629593556 /nfs/dbraw/zinc/59/35/56/629593556.db2.gz DGEYWSBKSCDXKR-UHFFFAOYSA-N 1 1 261.365 3.251 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCCC[C@@H]1c1cc[nH]n1)CCC2 ZINC000795673053 629708307 /nfs/dbraw/zinc/70/83/07/629708307.db2.gz RAZFZHREJKVXNH-QGZVFWFLSA-N 1 1 297.402 3.331 20 10 CGCDMO C[NH+](C)Cc1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000864019790 629729678 /nfs/dbraw/zinc/72/96/78/629729678.db2.gz RIXNFWISHMQPDI-UHFFFAOYSA-N 1 1 292.329 3.344 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(F)cc1O ZINC000796952223 629864438 /nfs/dbraw/zinc/86/44/38/629864438.db2.gz XRQVKAQNIJPUFR-JSGCOSHPSA-N 1 1 265.328 3.265 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](c3ccccn3)C1)CCC2 ZINC000799158892 630150977 /nfs/dbraw/zinc/15/09/77/630150977.db2.gz ARIUZVLXKIYTTG-MRXNPFEDSA-N 1 1 294.398 3.265 20 10 CGCDMO CCCC[N@@H+](Cc1ccccc1O)CC1(C)COC1 ZINC000801597652 630346066 /nfs/dbraw/zinc/34/60/66/630346066.db2.gz LMNDBZVBTHRYOK-UHFFFAOYSA-N 1 1 263.381 3.031 20 10 CGCDMO CCCC[N@@H+](CCOCC1CC1)Cc1ccccc1O ZINC000801596610 630346413 /nfs/dbraw/zinc/34/64/13/630346413.db2.gz HJODTUVSYDBHTR-UHFFFAOYSA-N 1 1 277.408 3.421 20 10 CGCDMO CCCC[N@@H+](CCN1CCCCC1)Cc1ccccc1O ZINC000801598073 630346448 /nfs/dbraw/zinc/34/64/48/630346448.db2.gz TZSMIZSDOOREKB-UHFFFAOYSA-N 1 1 290.451 3.480 20 10 CGCDMO CCCCN(CC[NH+]1CCCCC1)Cc1ccccc1O ZINC000801598073 630346451 /nfs/dbraw/zinc/34/64/51/630346451.db2.gz TZSMIZSDOOREKB-UHFFFAOYSA-N 1 1 290.451 3.480 20 10 CGCDMO CCc1nc(NCc2ccc(N(C)C)cc2C)cc(C)[nH+]1 ZINC000804460202 630529579 /nfs/dbraw/zinc/52/95/79/630529579.db2.gz IGOCGLMQJKKKLS-UHFFFAOYSA-N 1 1 284.407 3.334 20 10 CGCDMO CCC[N@@H+](CCN1CCCCC1)Cc1cc(C)ccc1O ZINC000809704983 630786706 /nfs/dbraw/zinc/78/67/06/630786706.db2.gz KEPVFQBZNWOWOA-UHFFFAOYSA-N 1 1 290.451 3.399 20 10 CGCDMO CCCN(CC[NH+]1CCCCC1)Cc1cc(C)ccc1O ZINC000809704983 630786709 /nfs/dbraw/zinc/78/67/09/630786709.db2.gz KEPVFQBZNWOWOA-UHFFFAOYSA-N 1 1 290.451 3.399 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+](CC)CCCN(C)C)cc1 ZINC000809749833 630799339 /nfs/dbraw/zinc/79/93/39/630799339.db2.gz KWKWFLHBUYQNPM-UHFFFAOYSA-N 1 1 291.483 3.306 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](CC)CCCN(C)C)cc1 ZINC000809749833 630799343 /nfs/dbraw/zinc/79/93/43/630799343.db2.gz KWKWFLHBUYQNPM-UHFFFAOYSA-N 1 1 291.483 3.306 20 10 CGCDMO CCN(CCC[NH+](C)C)Cc1ccc(N(CC)CC)cc1 ZINC000809749833 630799347 /nfs/dbraw/zinc/79/93/47/630799347.db2.gz KWKWFLHBUYQNPM-UHFFFAOYSA-N 1 1 291.483 3.306 20 10 CGCDMO CCOC1CC([N@@H+](C)Cc2c(O)cccc2Cl)C1 ZINC000809773724 630804019 /nfs/dbraw/zinc/80/40/19/630804019.db2.gz IAYYCRJVEDCTIQ-UHFFFAOYSA-N 1 1 269.772 3.045 20 10 CGCDMO CCCC[C@@H](C)[N@@H+](C)Cc1c(O)cccc1OC ZINC000811520022 631083124 /nfs/dbraw/zinc/08/31/24/631083124.db2.gz ITGQLXPCNKIZCF-GFCCVEGCSA-N 1 1 251.370 3.411 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)CC1(COC)CCC1 ZINC000812827354 631320836 /nfs/dbraw/zinc/32/08/36/631320836.db2.gz SQIFPPCDONNSQN-UHFFFAOYSA-N 1 1 277.408 3.421 20 10 CGCDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876527786 634851045 /nfs/dbraw/zinc/85/10/45/634851045.db2.gz LWILJXKPFXYRHJ-OAHLLOKOSA-N 1 1 288.435 3.022 20 10 CGCDMO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1cc(C)c(C)cc1O ZINC000814177434 631538257 /nfs/dbraw/zinc/53/82/57/631538257.db2.gz BVCWHRDGHOFLSC-HNNXBMFYSA-N 1 1 293.407 3.029 20 10 CGCDMO Cc1cc(C[N@@H+](C)Cc2cccc(O)c2)ccc1N(C)C ZINC000815057568 631709006 /nfs/dbraw/zinc/70/90/06/631709006.db2.gz UHCPMIAVVPKPEJ-UHFFFAOYSA-N 1 1 284.403 3.399 20 10 CGCDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000815121233 631721330 /nfs/dbraw/zinc/72/13/30/631721330.db2.gz XZEHPQZJVXAHSZ-GOSISDBHSA-N 1 1 290.451 3.127 20 10 CGCDMO C[N@@H+](Cc1cc(Cl)c(F)cc1O)C[C@H]1CCCCO1 ZINC000816496018 631993584 /nfs/dbraw/zinc/99/35/84/631993584.db2.gz SNCQIGFPJAULIZ-LLVKDONJSA-N 1 1 287.762 3.186 20 10 CGCDMO C[N@H+](Cc1cc(Cl)c(F)cc1O)C[C@H]1CCCCO1 ZINC000816496018 631993590 /nfs/dbraw/zinc/99/35/90/631993590.db2.gz SNCQIGFPJAULIZ-LLVKDONJSA-N 1 1 287.762 3.186 20 10 CGCDMO CC(C)(C)OCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816543723 632007126 /nfs/dbraw/zinc/00/71/26/632007126.db2.gz LWRDLXYIECRRBE-UHFFFAOYSA-N 1 1 275.751 3.089 20 10 CGCDMO CCN(CC)C[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816548907 632008647 /nfs/dbraw/zinc/00/86/47/632008647.db2.gz XCOFKZCVFFBSCA-SNVBAGLBSA-N 1 1 288.794 3.005 20 10 CGCDMO CCOc1ccc(C[N@@H+]2C[C@@H](CC)O[C@@H](CC)C2)c(O)c1 ZINC000817412043 632142832 /nfs/dbraw/zinc/14/28/32/632142832.db2.gz BRGFKMNLBXRLIP-GASCZTMLSA-N 1 1 293.407 3.180 20 10 CGCDMO CN1CCC[C@H]1C[N@@H+](C)Cc1ccc2ccccc2c1O ZINC000817417511 632146391 /nfs/dbraw/zinc/14/63/91/632146391.db2.gz OQOIRVUTHMBQGY-INIZCTEOSA-N 1 1 284.403 3.071 20 10 CGCDMO CN(Cc1ccc2ccccc2c1O)C[C@@H]1CCC[N@@H+]1C ZINC000817417511 632146395 /nfs/dbraw/zinc/14/63/95/632146395.db2.gz OQOIRVUTHMBQGY-INIZCTEOSA-N 1 1 284.403 3.071 20 10 CGCDMO CN(Cc1ccc2ccccc2c1O)C[C@@H]1CCC[N@H+]1C ZINC000817417511 632146399 /nfs/dbraw/zinc/14/63/99/632146399.db2.gz OQOIRVUTHMBQGY-INIZCTEOSA-N 1 1 284.403 3.071 20 10 CGCDMO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1 ZINC000817938073 632238197 /nfs/dbraw/zinc/23/81/97/632238197.db2.gz CUVGQCQCANHMHO-KSSFIOAISA-N 1 1 283.419 3.103 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCCNC1)c1ccc(N2CCCCC2)cc1 ZINC000817942418 632240407 /nfs/dbraw/zinc/24/04/07/632240407.db2.gz YLLBIMJDVNFODR-DOTOQJQBSA-N 1 1 287.451 3.080 20 10 CGCDMO CC[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cc(Cl)ccc1[O-] ZINC000817947150 632243640 /nfs/dbraw/zinc/24/36/40/632243640.db2.gz LLSGEZKWGZUYLJ-ORHYLEIMSA-N 1 1 282.815 3.356 20 10 CGCDMO C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817948341 632245707 /nfs/dbraw/zinc/24/57/07/632245707.db2.gz YFEWNZIYISPAFW-SDDRHHMPSA-N 1 1 282.815 3.084 20 10 CGCDMO C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000817976749 632267596 /nfs/dbraw/zinc/26/75/96/632267596.db2.gz SUGAZBIBFIUGJV-GHMZBOCLSA-N 1 1 270.804 3.214 20 10 CGCDMO C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc2ccccc2c1[O-] ZINC000817982917 632272923 /nfs/dbraw/zinc/27/29/23/632272923.db2.gz WIDRLZIKRNQYFR-GUTXKFCHSA-N 1 1 284.403 3.323 20 10 CGCDMO COc1cccc(C[NH2+][C@H](CF)c2ccc(F)cc2)c1O ZINC000865822447 632901938 /nfs/dbraw/zinc/90/19/38/632901938.db2.gz HHULRIJSMRMEER-CQSZACIVSA-N 1 1 293.313 3.340 20 10 CGCDMO CO[C@@H](C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1)C1CC1 ZINC000822584019 632977689 /nfs/dbraw/zinc/97/76/89/632977689.db2.gz YXTBQCANAZTIGD-SFHVURJKSA-N 1 1 288.435 3.142 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1ccc(F)cc1O ZINC000866538536 633181452 /nfs/dbraw/zinc/18/14/52/633181452.db2.gz SPMUDIKJKAQEGP-RBOXIYTFSA-N 1 1 293.382 3.245 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000876559535 634858266 /nfs/dbraw/zinc/85/82/66/634858266.db2.gz BXXSOMRXZSQBMC-GOSISDBHSA-N 1 1 283.371 3.274 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+](C)C1CCN(C(C)C)CC1 ZINC000876562341 634858820 /nfs/dbraw/zinc/85/88/20/634858820.db2.gz YZZYVNLOTXLDQW-UHFFFAOYSA-N 1 1 276.424 3.005 20 10 CGCDMO Cc1cccc(O)c1C[N@H+](C)C1CCN(C(C)C)CC1 ZINC000876562341 634858824 /nfs/dbraw/zinc/85/88/24/634858824.db2.gz YZZYVNLOTXLDQW-UHFFFAOYSA-N 1 1 276.424 3.005 20 10 CGCDMO CCCn1nccc1C[N@@H+](CCC)Cc1ccccc1O ZINC000824650513 633268296 /nfs/dbraw/zinc/26/82/96/633268296.db2.gz SIAJCAOSVXWICC-UHFFFAOYSA-N 1 1 287.407 3.411 20 10 CGCDMO C[C@@]12C[N@@H+](Cc3ccccc3O)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000824702834 633276243 /nfs/dbraw/zinc/27/62/43/633276243.db2.gz RFDMUWKRJQLHOA-JWDQPFGJSA-N 1 1 255.361 3.036 20 10 CGCDMO Cc1cccc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c1O ZINC000824941586 633308472 /nfs/dbraw/zinc/30/84/72/633308472.db2.gz PUZATDWHCQHUJA-JKSUJKDBSA-N 1 1 257.377 3.321 20 10 CGCDMO CC(C)[C@H]1CC[N@H+]1Cc1ccc(Br)cc1O ZINC000825038039 633321079 /nfs/dbraw/zinc/32/10/79/633321079.db2.gz ODDASDYIIGLEGH-GFCCVEGCSA-N 1 1 284.197 3.385 20 10 CGCDMO CCCc1ncc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)o1 ZINC000825085664 633326753 /nfs/dbraw/zinc/32/67/53/633326753.db2.gz MFKRLPWWFAJTIY-UHFFFAOYSA-N 1 1 291.370 3.122 20 10 CGCDMO Cc1cc(O)c(CNCCC[N@@H+](C)C(C)C)cc1Cl ZINC000825089824 633327902 /nfs/dbraw/zinc/32/79/02/633327902.db2.gz KMMMCVKLYGJQQV-UHFFFAOYSA-N 1 1 284.831 3.174 20 10 CGCDMO Cc1cc(O)c(CNCCC[N@H+](C)C(C)C)cc1Cl ZINC000825089824 633327904 /nfs/dbraw/zinc/32/79/04/633327904.db2.gz KMMMCVKLYGJQQV-UHFFFAOYSA-N 1 1 284.831 3.174 20 10 CGCDMO Cc1cccc(C[N@H+]2CCOCC23CCCCC3)c1O ZINC000825098501 633328839 /nfs/dbraw/zinc/32/88/39/633328839.db2.gz JXLAUZHHYKUAQM-UHFFFAOYSA-N 1 1 275.392 3.236 20 10 CGCDMO Oc1cc(Br)ccc1C[N@H+]1CC[C@H]1C1CC1 ZINC000826043190 633400624 /nfs/dbraw/zinc/40/06/24/633400624.db2.gz FRERHKCQBCILKD-LBPRGKRZSA-N 1 1 282.181 3.139 20 10 CGCDMO C[C@]1(C2CC2)C[N@@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000826878013 633440101 /nfs/dbraw/zinc/44/01/01/633440101.db2.gz QJQSUUDUHKINRJ-OAHLLOKOSA-N 1 1 281.783 3.047 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H]3COC[C@H]3C2)cc1 ZINC000827595819 633501693 /nfs/dbraw/zinc/50/16/93/633501693.db2.gz RDANCLIIZCHAEG-DLBZAZTESA-N 1 1 288.435 3.001 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@](C)(COC)C2)cc1 ZINC000830529787 633869188 /nfs/dbraw/zinc/86/91/88/633869188.db2.gz PCWFEDQJNQAWOX-KRWDZBQOSA-N 1 1 276.424 3.001 20 10 CGCDMO C[N@H+](CCN[C@H]1CCc2cccc(O)c21)C1CCCCC1 ZINC000834534491 634177301 /nfs/dbraw/zinc/17/73/01/634177301.db2.gz QTQRNLGPOAUQHO-INIZCTEOSA-N 1 1 288.435 3.234 20 10 CGCDMO C[N@@H+](CCN[C@H]1CCc2cccc(O)c21)C1CCCCC1 ZINC000834534491 634177306 /nfs/dbraw/zinc/17/73/06/634177306.db2.gz QTQRNLGPOAUQHO-INIZCTEOSA-N 1 1 288.435 3.234 20 10 CGCDMO CC(=O)[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000872799958 634211786 /nfs/dbraw/zinc/21/17/86/634211786.db2.gz IPTRCZJRVZPCPK-HNNXBMFYSA-N 1 1 283.371 3.346 20 10 CGCDMO C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)cc1[O-] ZINC000834908324 634283087 /nfs/dbraw/zinc/28/30/87/634283087.db2.gz INFQKFUFRHVXNR-LBPRGKRZSA-N 1 1 280.387 3.056 20 10 CGCDMO CCn1cc(C[N@@H+](C)C/C=C\c2ccc(N(C)C)cc2)cn1 ZINC000835029847 634325608 /nfs/dbraw/zinc/32/56/08/634325608.db2.gz SZEDUNKTJPOYEB-SREVYHEPSA-N 1 1 298.434 3.114 20 10 CGCDMO CC[NH+](CC)C[C@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835038502 634328823 /nfs/dbraw/zinc/32/88/23/634328823.db2.gz SZIHWVBKTJAPLP-FDMDGMSGSA-N 1 1 289.467 3.086 20 10 CGCDMO CO[C@H]1CCC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835046925 634333272 /nfs/dbraw/zinc/33/32/72/634333272.db2.gz AHTQTISVGDOWMX-SUZKBHRPSA-N 1 1 288.435 3.267 20 10 CGCDMO CC[C@@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CCCO1 ZINC000835051262 634337188 /nfs/dbraw/zinc/33/71/88/634337188.db2.gz IUSUZJPHXLHHNM-SUQGKYDKSA-N 1 1 288.435 3.267 20 10 CGCDMO CO[C@@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C[C@H]1C ZINC000835054003 634338028 /nfs/dbraw/zinc/33/80/28/634338028.db2.gz GONXGAYFQZDQFK-CDZANEANSA-N 1 1 288.435 3.123 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000102675102 634836342 /nfs/dbraw/zinc/83/63/42/634836342.db2.gz IDDGCENVPDEJDG-UHFFFAOYSA-N 1 1 299.374 3.293 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccccc2)cc1 ZINC000102675099 634836450 /nfs/dbraw/zinc/83/64/50/634836450.db2.gz LFPQQCXXCXGYQV-UHFFFAOYSA-N 1 1 254.377 3.385 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000876634668 634872020 /nfs/dbraw/zinc/87/20/20/634872020.db2.gz YGKIKVYSDJOOAX-LJQANCHMSA-N 1 1 297.398 3.446 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000877425524 635038679 /nfs/dbraw/zinc/03/86/79/635038679.db2.gz CNDZHEVBDAPECW-HNNXBMFYSA-N 1 1 275.392 3.092 20 10 CGCDMO CCOC1CC2(C1)CC[N@@H+](Cc1c(C)cccc1O)C2 ZINC000877519527 635068345 /nfs/dbraw/zinc/06/83/45/635068345.db2.gz KVJKMLRUIDHDAN-UHFFFAOYSA-N 1 1 275.392 3.092 20 10 CGCDMO CSC[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000877547747 635082651 /nfs/dbraw/zinc/08/26/51/635082651.db2.gz IYLHBJIGXCKZJV-CYBMUJFWSA-N 1 1 265.422 3.276 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)Cc2ccncc2)c(Cl)c1 ZINC000840940296 635086977 /nfs/dbraw/zinc/08/69/77/635086977.db2.gz YLSXTVKUGZVXHS-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2ccncc2)c(Cl)c1 ZINC000840940296 635086981 /nfs/dbraw/zinc/08/69/81/635086981.db2.gz YLSXTVKUGZVXHS-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]CCCC[N@@H+](C)C2CC2)c(Cl)c1 ZINC000840953087 635092149 /nfs/dbraw/zinc/09/21/49/635092149.db2.gz MGFFFGJFVOSRKY-UHFFFAOYSA-N 1 1 296.842 3.318 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]CCCC[N@H+](C)C2CC2)c(Cl)c1 ZINC000840953087 635092150 /nfs/dbraw/zinc/09/21/50/635092150.db2.gz MGFFFGJFVOSRKY-UHFFFAOYSA-N 1 1 296.842 3.318 20 10 CGCDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1C ZINC000840953318 635092296 /nfs/dbraw/zinc/09/22/96/635092296.db2.gz PPKZVEUKQBCVDH-KRWDZBQOSA-N 1 1 276.424 3.062 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC2(CCOCC2)[C@@H]1C(C)C ZINC000877591654 635105114 /nfs/dbraw/zinc/10/51/14/635105114.db2.gz WWTQMSDFNIQJKE-KRWDZBQOSA-N 1 1 289.419 3.338 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c(O)c1 ZINC000877604128 635107757 /nfs/dbraw/zinc/10/77/57/635107757.db2.gz XFOCHGHYIOMUBB-HZPDHXFCSA-N 1 1 275.392 3.092 20 10 CGCDMO CCCC[C@@H](CN)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000841029214 635109334 /nfs/dbraw/zinc/10/93/34/635109334.db2.gz MDXYWNIHDXETCZ-KRWDZBQOSA-N 1 1 289.467 3.284 20 10 CGCDMO CN(C)c1ccc(/C=C\CN[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000841088747 635119987 /nfs/dbraw/zinc/11/99/87/635119987.db2.gz CBDLEIABCQFALN-MAVJXHJTSA-N 1 1 299.462 3.030 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000877631280 635122761 /nfs/dbraw/zinc/12/27/61/635122761.db2.gz OKOTULLQSOTSJH-ZDUSSCGKSA-N 1 1 251.345 3.272 20 10 CGCDMO Cc1ccc(C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)c(O)c1 ZINC000877644163 635128668 /nfs/dbraw/zinc/12/86/68/635128668.db2.gz RHGRWJUUYFSRKW-UHFFFAOYSA-N 1 1 285.391 3.008 20 10 CGCDMO C[C@H]1[C@@H](C)[N@H+](Cc2c(O)ccc3ccncc32)C[C@H]1C ZINC000841690682 635211719 /nfs/dbraw/zinc/21/17/19/635211719.db2.gz MWIGNFRQOIGYGI-JHJVBQTASA-N 1 1 270.376 3.417 20 10 CGCDMO CCOCCC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841742923 635220443 /nfs/dbraw/zinc/22/04/43/635220443.db2.gz ALLUUZRTJGMBIF-JTQLQIEISA-N 1 1 257.761 3.123 20 10 CGCDMO C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841754837 635229237 /nfs/dbraw/zinc/22/92/37/635229237.db2.gz MAPKCBJSNPGNFX-DCAQKATOSA-N 1 1 271.788 3.103 20 10 CGCDMO C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1[O-] ZINC000841758613 635232065 /nfs/dbraw/zinc/23/20/65/635232065.db2.gz UAEYIYPBZSNBLW-OLZOCXBDSA-N 1 1 296.842 3.428 20 10 CGCDMO CC[C@H](C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1)OC ZINC000842148914 635296039 /nfs/dbraw/zinc/29/60/39/635296039.db2.gz IMWONGMPEJJYPG-QGZVFWFLSA-N 1 1 276.424 3.142 20 10 CGCDMO [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc(Cl)cc(F)c1[O-] ZINC000843053733 635551746 /nfs/dbraw/zinc/55/17/46/635551746.db2.gz GSBKFFFTVKACPB-YHWZYXNKSA-N 1 1 298.789 3.029 20 10 CGCDMO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cscn2)cc1 ZINC000127307369 635618203 /nfs/dbraw/zinc/61/82/03/635618203.db2.gz BCMPHTPADSRBGL-LBPRGKRZSA-N 1 1 275.421 3.450 20 10 CGCDMO CCCC[C@](C)(CO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000843425938 635670218 /nfs/dbraw/zinc/67/02/18/635670218.db2.gz KPJCVEDVQCQYJX-CQSZACIVSA-N 1 1 289.778 3.216 20 10 CGCDMO CC(C)CCc1noc(C[NH2+][C@@H](C)c2ccccc2O)n1 ZINC000879651643 635827737 /nfs/dbraw/zinc/82/77/37/635827737.db2.gz FHMKFPNKJXVIDD-LBPRGKRZSA-N 1 1 289.379 3.215 20 10 CGCDMO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1nc(C2CC2)no1 ZINC000879651735 635828364 /nfs/dbraw/zinc/82/83/64/635828364.db2.gz IUZCFWKHDWOGBT-UWVGGRQHSA-N 1 1 273.336 3.064 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000846066212 636140522 /nfs/dbraw/zinc/14/05/22/636140522.db2.gz AJBLBADROQHEPZ-OAHLLOKOSA-N 1 1 288.435 3.204 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000846105137 636143756 /nfs/dbraw/zinc/14/37/56/636143756.db2.gz QJYMLGXJWNLAOK-AWEZNQCLSA-N 1 1 283.318 3.022 20 10 CGCDMO CC(C)c1c[nH]c(C[NH2+]Cc2ccc(N(C)C)c(F)c2)n1 ZINC000882943320 636469660 /nfs/dbraw/zinc/46/96/60/636469660.db2.gz NECSSIJGWMMBHY-UHFFFAOYSA-N 1 1 290.386 3.028 20 10 CGCDMO CC(C)(C[NH2+]Cc1cc(F)cc(F)c1O)[C@@H]1CCCCO1 ZINC000883040179 636517465 /nfs/dbraw/zinc/51/74/65/636517465.db2.gz RXHQGYGGDKIQSW-AWEZNQCLSA-N 1 1 299.361 3.355 20 10 CGCDMO CC(C)(C[NH2+]Cc1cc(F)cc(F)c1O)[C@H]1CCCCO1 ZINC000883040180 636517823 /nfs/dbraw/zinc/51/78/23/636517823.db2.gz RXHQGYGGDKIQSW-CQSZACIVSA-N 1 1 299.361 3.355 20 10 CGCDMO COC1CCC(CC[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000883088166 636536815 /nfs/dbraw/zinc/53/68/15/636536815.db2.gz VWLKBAFIRCADEB-UHFFFAOYSA-N 1 1 299.361 3.355 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCC1CC(F)(F)C1 ZINC000883139894 636551993 /nfs/dbraw/zinc/55/19/93/636551993.db2.gz COEVQPLHNAESCS-UHFFFAOYSA-N 1 1 277.261 3.195 20 10 CGCDMO CC(C)([NH2+]Cc1cc(F)cc(F)c1O)[C@H]1CCCCO1 ZINC000883195812 636578942 /nfs/dbraw/zinc/57/89/42/636578942.db2.gz CQRMAZLSPMDAGI-CYBMUJFWSA-N 1 1 285.334 3.108 20 10 CGCDMO CCc1cccc(C[N@@H+](CCO)C2CCCCC2)c1O ZINC000848876801 636668833 /nfs/dbraw/zinc/66/88/33/636668833.db2.gz NEDXYXFNVJYYHE-UHFFFAOYSA-N 1 1 277.408 3.082 20 10 CGCDMO CCc1cccc(C[N@@H+](CCOC)Cc2ccco2)c1O ZINC000848882651 636672015 /nfs/dbraw/zinc/67/20/15/636672015.db2.gz WWBWHJKWNROPEX-UHFFFAOYSA-N 1 1 289.375 3.196 20 10 CGCDMO CCc1cccc(C[N@H+]2CCSC[C@@H](C)C2)c1O ZINC000848906589 636684293 /nfs/dbraw/zinc/68/42/93/636684293.db2.gz WSSROINKCXNGIP-LBPRGKRZSA-N 1 1 265.422 3.140 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)c1O ZINC000848903400 636684301 /nfs/dbraw/zinc/68/43/01/636684301.db2.gz RWCGNKMBLIKOLG-CQSZACIVSA-N 1 1 271.364 3.015 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@H](OCC3CC3)C2)c1O ZINC000848904558 636684339 /nfs/dbraw/zinc/68/43/39/636684339.db2.gz XOUGEVGRKYTKOI-KRWDZBQOSA-N 1 1 289.419 3.346 20 10 CGCDMO C[C@H](O)C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000848928795 636700137 /nfs/dbraw/zinc/70/01/37/636700137.db2.gz NVISHCSZQKGGLU-HNNXBMFYSA-N 1 1 288.435 3.022 20 10 CGCDMO CCCC[N@@H+](C)Cc1cc(Br)ccc1O ZINC000132428201 636808290 /nfs/dbraw/zinc/80/82/90/636808290.db2.gz UELMJYFULRCUDX-UHFFFAOYSA-N 1 1 272.186 3.387 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(F)cc1O ZINC000850523863 637103019 /nfs/dbraw/zinc/10/30/19/637103019.db2.gz QGSBKKONCOLCDB-JSGCOSHPSA-N 1 1 279.355 3.284 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C(C)C)C2CC2)c1 ZINC000850553864 637118593 /nfs/dbraw/zinc/11/85/93/637118593.db2.gz AGYPFKGNEABPOJ-ZBEGNZNMSA-N 1 1 291.391 3.264 20 10 CGCDMO C[N@@H+](CCCc1ccccc1)Cc1ccccc1O ZINC000109773109 637267427 /nfs/dbraw/zinc/26/74/27/637267427.db2.gz UCVBSAPDPWFMAI-UHFFFAOYSA-N 1 1 255.361 3.457 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H]1C[C@]12CCOC2 ZINC000886192454 637453956 /nfs/dbraw/zinc/45/39/56/637453956.db2.gz XBFGJQJYIPGOIP-WMZOPIPTSA-N 1 1 289.419 3.421 20 10 CGCDMO CC[C@@H](C[NH2+][C@@H](C)c1c(O)cccc1F)N1CCCC1 ZINC000886501555 637543837 /nfs/dbraw/zinc/54/38/37/637543837.db2.gz OCXRNTSDOKXMCS-STQMWFEESA-N 1 1 280.387 3.056 20 10 CGCDMO Cc1cccc(C[NH2+][C@@H](C)c2c(O)cccc2F)n1 ZINC000886508989 637545971 /nfs/dbraw/zinc/54/59/71/637545971.db2.gz WDWMZPPTYDVRLO-NSHDSACASA-N 1 1 260.312 3.086 20 10 CGCDMO C[C@H](C[NH2+][C@H](C)c1c(O)cccc1F)N1CCCCC1 ZINC000886509080 637545997 /nfs/dbraw/zinc/54/59/97/637545997.db2.gz ZTMUCPGOMCLWJE-CHWSQXEVSA-N 1 1 280.387 3.056 20 10 CGCDMO COc1ccc(C[NH2+][C@H](C)c2c(O)cccc2F)cc1O ZINC000886520740 637551523 /nfs/dbraw/zinc/55/15/23/637551523.db2.gz LTRQPFJAHRIVCN-SNVBAGLBSA-N 1 1 291.322 3.096 20 10 CGCDMO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1c(O)cccc1F ZINC000886530685 637556170 /nfs/dbraw/zinc/55/61/70/637556170.db2.gz OSZSXYQQZNOINH-IUODEOHRSA-N 1 1 289.350 3.306 20 10 CGCDMO Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886530509 637556637 /nfs/dbraw/zinc/55/66/37/637556637.db2.gz LTUZWKGGNCPBDA-ONGXEEELSA-N 1 1 292.354 3.418 20 10 CGCDMO COC(C)(C)C[C@H](C)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886532889 637558293 /nfs/dbraw/zinc/55/82/93/637558293.db2.gz QGWQRQIASYBCDX-WDEREUQCSA-N 1 1 269.360 3.386 20 10 CGCDMO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886543154 637569665 /nfs/dbraw/zinc/56/96/65/637569665.db2.gz LGWLGUYWSNKTKV-SUNKGSAMSA-N 1 1 293.338 3.287 20 10 CGCDMO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886554840 637577394 /nfs/dbraw/zinc/57/73/94/637577394.db2.gz DPBPKTIWMNMBHL-XHDPSFHLSA-N 1 1 283.387 3.225 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1C ZINC000853629836 637877045 /nfs/dbraw/zinc/87/70/45/637877045.db2.gz LSOCYTTUQIJMBQ-MLGOLLRUSA-N 1 1 299.361 3.254 20 10 CGCDMO C[C@@H]([NH2+]CCOC1CCCC1)c1ccc(F)cc1O ZINC000111635216 637932608 /nfs/dbraw/zinc/93/26/08/637932608.db2.gz KQFCCTWQXXGAPJ-LLVKDONJSA-N 1 1 267.344 3.141 20 10 CGCDMO CCC(F)(F)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000858508760 638750486 /nfs/dbraw/zinc/75/04/86/638750486.db2.gz YSMBNZGVDVVMQH-SECBINFHSA-N 1 1 259.296 3.097 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCS[C@H](C)C1)c1c(O)cccc1F ZINC000927028290 638833636 /nfs/dbraw/zinc/83/36/36/638833636.db2.gz MCJLBFIEVQBEHB-VWYCJHECSA-N 1 1 269.385 3.466 20 10 CGCDMO COc1ccc(N2CCC[N@H+]([C@H](C)C3CC3)CC2)cc1 ZINC000929315397 638918263 /nfs/dbraw/zinc/91/82/63/638918263.db2.gz ITDSNOWNWDQMPB-CQSZACIVSA-N 1 1 274.408 3.006 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCCSC[C@@H]2C)c1O ZINC000934301696 639574980 /nfs/dbraw/zinc/57/49/80/639574980.db2.gz WYFMZNLIYWXZAD-JTQLQIEISA-N 1 1 297.395 3.061 20 10 CGCDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCOC1 ZINC000047703679 640023549 /nfs/dbraw/zinc/02/35/49/640023549.db2.gz FRVNAYJBLGZRNF-QGZVFWFLSA-N 1 1 288.435 3.145 20 10 CGCDMO C[N@@H+](CCNCc1c(O)cccc1Cl)C1CCCC1 ZINC000083552490 640596892 /nfs/dbraw/zinc/59/68/92/640596892.db2.gz OZWVTICPNWOGNY-UHFFFAOYSA-N 1 1 282.815 3.010 20 10 CGCDMO CN(CC[NH2+]Cc1c(O)cccc1Cl)C1CCCC1 ZINC000083552490 640596896 /nfs/dbraw/zinc/59/68/96/640596896.db2.gz OZWVTICPNWOGNY-UHFFFAOYSA-N 1 1 282.815 3.010 20 10 CGCDMO Oc1ccccc1C[N@@H+](C[C@@H]1CCCO1)[C@@H]1C=CCCC1 ZINC000245828136 640640978 /nfs/dbraw/zinc/64/09/78/640640978.db2.gz ZYGGNXSBADFOOT-SJORKVTESA-N 1 1 287.403 3.482 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)[C@@H]1C ZINC000091859986 640725259 /nfs/dbraw/zinc/72/52/59/640725259.db2.gz AQBPSBYJGNQYFP-NXEZZACHSA-N 1 1 284.197 3.385 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)[C@@H]1C ZINC000091859986 640725263 /nfs/dbraw/zinc/72/52/63/640725263.db2.gz AQBPSBYJGNQYFP-NXEZZACHSA-N 1 1 284.197 3.385 20 10 CGCDMO C[C@H]([N@@H+](C)Cc1ccc(N2CCOCC2)cc1)C1(C)CC1 ZINC000091900542 640726382 /nfs/dbraw/zinc/72/63/82/640726382.db2.gz QPVZLMHBSBNSKK-HNNXBMFYSA-N 1 1 288.435 3.144 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@H](C)CO1 ZINC000092017211 640729725 /nfs/dbraw/zinc/72/97/25/640729725.db2.gz OOXKRSAQVAQPOT-HZPDHXFCSA-N 1 1 288.435 3.286 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCc3cccc(F)c3C2)c1 ZINC000093454304 640772159 /nfs/dbraw/zinc/77/21/59/640772159.db2.gz AZPCILJDAYLEKU-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO CCC(CC)[C@H](CNCc1ccc2c(c1)CCO2)[NH+](C)C ZINC000037362939 798866724 /nfs/dbraw/zinc/86/67/24/798866724.db2.gz QSBVGZFRMNBVIM-KRWDZBQOSA-N 1 1 290.451 3.078 20 10 CGCDMO CCC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)C(C)C ZINC000037323064 798866777 /nfs/dbraw/zinc/86/67/77/798866777.db2.gz NRFXNRVQZXLTHY-UHFFFAOYSA-N 1 1 267.344 3.354 20 10 CGCDMO CCC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)C(C)C ZINC000037323064 798866783 /nfs/dbraw/zinc/86/67/83/798866783.db2.gz NRFXNRVQZXLTHY-UHFFFAOYSA-N 1 1 267.344 3.354 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)C1C[C@H]2CCC[C@@H](C1)N2C ZINC001255684432 806705892 /nfs/dbraw/zinc/70/58/92/806705892.db2.gz RGRYZRHNILXGLL-SJPCQFCGSA-N 1 1 288.435 3.229 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH2+]CC[C@@H](C)F)c1 ZINC000382279797 799395309 /nfs/dbraw/zinc/39/53/09/799395309.db2.gz IRQDSWIVCJZZHO-SECBINFHSA-N 1 1 290.176 3.301 20 10 CGCDMO CCCC[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1O ZINC000386492487 799437067 /nfs/dbraw/zinc/43/70/67/799437067.db2.gz XTEPQGWPJOMMQY-GFCCVEGCSA-N 1 1 251.370 3.411 20 10 CGCDMO CC[N@@H+](CCC(F)(F)F)Cc1cc(OC)ccc1O ZINC000688501179 799748616 /nfs/dbraw/zinc/74/86/16/799748616.db2.gz QZFWTOYCWDTEME-UHFFFAOYSA-N 1 1 277.286 3.175 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000689884697 799770377 /nfs/dbraw/zinc/77/03/77/799770377.db2.gz XABZGEZVBNHSMX-NSHDSACASA-N 1 1 255.308 3.103 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000708385460 799987579 /nfs/dbraw/zinc/98/75/79/799987579.db2.gz SKJZPQXSZJXNJD-UHFFFAOYSA-N 1 1 277.261 3.292 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCCC(F)(F)CC1 ZINC000708385460 799987581 /nfs/dbraw/zinc/98/75/81/799987581.db2.gz SKJZPQXSZJXNJD-UHFFFAOYSA-N 1 1 277.261 3.292 20 10 CGCDMO C[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)CC(F)F ZINC000708516669 799990933 /nfs/dbraw/zinc/99/09/33/799990933.db2.gz JVJCNBZHXAOEMT-ZETCQYMHSA-N 1 1 265.250 3.051 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C1CCC(F)(F)CC1 ZINC000708536081 799990987 /nfs/dbraw/zinc/99/09/87/799990987.db2.gz VLLIEBDVUBGHQT-UHFFFAOYSA-N 1 1 277.261 3.338 20 10 CGCDMO C[NH+](C)C1CCC([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000715560192 800138645 /nfs/dbraw/zinc/13/86/45/800138645.db2.gz AAXSEGSDYVWRFN-UHFFFAOYSA-N 1 1 282.815 3.008 20 10 CGCDMO Oc1c(F)cccc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000716029923 800160661 /nfs/dbraw/zinc/16/06/61/800160661.db2.gz VMDHXLQFNRHKFZ-VGPLMAKISA-N 1 1 281.396 3.295 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](C)C[C@@H](C)C2)c1 ZINC000723721615 800337490 /nfs/dbraw/zinc/33/74/90/800337490.db2.gz JNUABXFNFSGJKK-CHWSQXEVSA-N 1 1 263.381 3.269 20 10 CGCDMO Nc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cc1 ZINC001120269477 802737411 /nfs/dbraw/zinc/73/74/11/802737411.db2.gz TUSNJGJLMODCPA-JSGCOSHPSA-N 1 1 284.325 3.433 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2c[nH]c3ncccc23)cc1 ZINC001137405921 803730812 /nfs/dbraw/zinc/73/08/12/803730812.db2.gz UHHGWPYWACROLZ-UHFFFAOYSA-N 1 1 294.402 3.261 20 10 CGCDMO Cc1cc(C[N@@H+]2CC[C@@H](O)C[C@H]2C)c(C)n1-c1ccccc1 ZINC001137858175 803785454 /nfs/dbraw/zinc/78/54/54/803785454.db2.gz ZNWODWVINPJADP-AUUYWEPGSA-N 1 1 298.430 3.439 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@H]3OCC[C@H]32)c(C)n1-c1ccccc1 ZINC001137856126 803786175 /nfs/dbraw/zinc/78/61/75/803786175.db2.gz RDJBMPGZSGWRAZ-RTBURBONSA-N 1 1 296.414 3.457 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@H](N(C)C)C2)c(C)n1-c1ccccc1 ZINC001137854267 803786422 /nfs/dbraw/zinc/78/64/22/803786422.db2.gz OYRJSGIJMZOYOS-IBGZPJMESA-N 1 1 297.446 3.230 20 10 CGCDMO Cc1cc(C[N@@H+]2CC[C@H](N(C)C)C2)c(C)n1-c1ccccc1 ZINC001137854267 803786426 /nfs/dbraw/zinc/78/64/26/803786426.db2.gz OYRJSGIJMZOYOS-IBGZPJMESA-N 1 1 297.446 3.230 20 10 CGCDMO Cc1cc(CN2CC[N@@H+](C)[C@H](C)C2)c(C)n1-c1ccccc1 ZINC001137859078 803787318 /nfs/dbraw/zinc/78/73/18/803787318.db2.gz HXPJTBIZEIFCHF-MRXNPFEDSA-N 1 1 297.446 3.230 20 10 CGCDMO Cc1cc(C[N@@H+]2CCN(C)[C@H](C)C2)c(C)n1-c1ccccc1 ZINC001137859078 803787323 /nfs/dbraw/zinc/78/73/23/803787323.db2.gz HXPJTBIZEIFCHF-MRXNPFEDSA-N 1 1 297.446 3.230 20 10 CGCDMO Cc1cc(C[N@H+]2CCN(C)[C@H](C)C2)c(C)n1-c1ccccc1 ZINC001137859078 803787329 /nfs/dbraw/zinc/78/73/29/803787329.db2.gz HXPJTBIZEIFCHF-MRXNPFEDSA-N 1 1 297.446 3.230 20 10 CGCDMO C[C@H]1CCC[N@H+](Cc2cccc(F)c2O)C[C@H]1C ZINC001138122583 803861648 /nfs/dbraw/zinc/86/16/48/803861648.db2.gz ONJWDXDVPDNHMH-NWDGAFQWSA-N 1 1 251.345 3.399 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2cccc(F)c2O)C[C@H]1C ZINC001138122583 803861656 /nfs/dbraw/zinc/86/16/56/803861656.db2.gz ONJWDXDVPDNHMH-NWDGAFQWSA-N 1 1 251.345 3.399 20 10 CGCDMO C[C@@]1(F)CCC[N@H+](Cc2cccc(F)c2O)CC1 ZINC001138122674 803863436 /nfs/dbraw/zinc/86/34/36/803863436.db2.gz UEUHDMYQVVBLGW-CQSZACIVSA-N 1 1 255.308 3.245 20 10 CGCDMO C[C@@]1(F)CCC[N@@H+](Cc2cccc(F)c2O)CC1 ZINC001138122674 803863446 /nfs/dbraw/zinc/86/34/46/803863446.db2.gz UEUHDMYQVVBLGW-CQSZACIVSA-N 1 1 255.308 3.245 20 10 CGCDMO O[C@H]1CCCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138215604 803874960 /nfs/dbraw/zinc/87/49/60/803874960.db2.gz LCHHMMQCWCWJAU-SFHVURJKSA-N 1 1 288.435 3.024 20 10 CGCDMO Cc1c(C[N@H+]2CCC[C@]3(CCOC3)C2)c2ccccc2n1C ZINC001138253909 803881628 /nfs/dbraw/zinc/88/16/28/803881628.db2.gz KFVYYFFDDOMWGP-IBGZPJMESA-N 1 1 298.430 3.489 20 10 CGCDMO Cc1c(C[N@H+]2CCC3(CC3)C2)c2ccccc2n1C ZINC001138254066 803882804 /nfs/dbraw/zinc/88/28/04/803882804.db2.gz PMELENCCMHDKKX-UHFFFAOYSA-N 1 1 254.377 3.473 20 10 CGCDMO CC[N@@H+](Cc1c2ccccc2n(C)c1C)C1CCN(C)CC1 ZINC001138257120 803882824 /nfs/dbraw/zinc/88/28/24/803882824.db2.gz XFZUHIMRJANFOF-UHFFFAOYSA-N 1 1 299.462 3.403 20 10 CGCDMO Cc1c(CN2CCC[C@@H]3C[N@@H+](C)C[C@@H]32)c2ccccc2n1C ZINC001138257964 803884971 /nfs/dbraw/zinc/88/49/71/803884971.db2.gz FUNCTPDDLNQMNR-BEFAXECRSA-N 1 1 297.446 3.013 20 10 CGCDMO CCN(CC)[C@@H]1CC[N@H+](Cc2c3ccccc3n(C)c2C)C1 ZINC001138257911 803885147 /nfs/dbraw/zinc/88/51/47/803885147.db2.gz CPIFAWPFSIQYOP-MRXNPFEDSA-N 1 1 299.462 3.403 20 10 CGCDMO CCN(CC)[C@@H]1CC[N@@H+](Cc2c3ccccc3n(C)c2C)C1 ZINC001138257911 803885154 /nfs/dbraw/zinc/88/51/54/803885154.db2.gz CPIFAWPFSIQYOP-MRXNPFEDSA-N 1 1 299.462 3.403 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@H](F)CC2)ccc1N(C)C ZINC001139669694 804247255 /nfs/dbraw/zinc/24/72/55/804247255.db2.gz HTNQZYCZZAAIIP-HNNXBMFYSA-N 1 1 264.388 3.385 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@@H]2c2cnccn2)ccc1N(C)C ZINC001139673602 804247809 /nfs/dbraw/zinc/24/78/09/804247809.db2.gz VVKGDDBNYOGNBP-GOSISDBHSA-N 1 1 296.418 3.188 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001140057598 804364284 /nfs/dbraw/zinc/36/42/84/804364284.db2.gz HJHRGZPIJQIYFL-LBPRGKRZSA-N 1 1 295.251 3.255 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C[C@@H]1C ZINC001140057826 804366397 /nfs/dbraw/zinc/36/63/97/804366397.db2.gz PHRHVNPJQHWNEN-NEPJUHHUSA-N 1 1 251.345 3.399 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)CCC1(F)F ZINC001140058308 804366497 /nfs/dbraw/zinc/36/64/97/804366497.db2.gz WUJXLBGLXQALLE-JTQLQIEISA-N 1 1 273.298 3.399 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c1O ZINC001140178169 804394762 /nfs/dbraw/zinc/39/47/62/804394762.db2.gz BKSQEQMGAKUUGJ-LBPRGKRZSA-N 1 1 269.335 3.486 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@@H](c3ccncc3)C2)c1O ZINC001140180462 804396363 /nfs/dbraw/zinc/39/63/63/804396363.db2.gz XCTXOFUZCBDBNH-MRXNPFEDSA-N 1 1 282.387 3.394 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCC[C@@H](C(F)F)C2)c1O ZINC001140182082 804397077 /nfs/dbraw/zinc/39/70/77/804397077.db2.gz ICGNEUBNPYPJHP-GFCCVEGCSA-N 1 1 269.335 3.486 20 10 CGCDMO CC[N@@H+](Cc1ccccn1)Cc1c(C)ccc(C)c1O ZINC001140182574 804397416 /nfs/dbraw/zinc/39/74/16/804397416.db2.gz VYESAMUTYGSVET-UHFFFAOYSA-N 1 1 270.376 3.426 20 10 CGCDMO Cc1ccc(Cl)nc1C[N@@H+](C)Cc1ccccc1O ZINC001140446403 804436914 /nfs/dbraw/zinc/43/69/14/804436914.db2.gz IPLNFMGXUPBORX-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC001140463115 804440679 /nfs/dbraw/zinc/44/06/79/804440679.db2.gz SRPDOYOUKFRMAN-OAHLLOKOSA-N 1 1 281.783 3.048 20 10 CGCDMO CC(C)[N@H+](Cc1ccc(Cl)cc1O)C1CCOCC1 ZINC001140468634 804443436 /nfs/dbraw/zinc/44/34/36/804443436.db2.gz RJDHFNRAJYBOGZ-UHFFFAOYSA-N 1 1 283.799 3.435 20 10 CGCDMO CC(C)[N@@H+](Cc1ccc(Cl)cc1O)C1CCOCC1 ZINC001140468634 804443438 /nfs/dbraw/zinc/44/34/38/804443438.db2.gz RJDHFNRAJYBOGZ-UHFFFAOYSA-N 1 1 283.799 3.435 20 10 CGCDMO CCCCCN1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC001140621192 804476518 /nfs/dbraw/zinc/47/65/18/804476518.db2.gz QJRZOORIBZKNIQ-UHFFFAOYSA-N 1 1 276.424 3.008 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2CN2CCCC2)c1 ZINC001140621299 804476526 /nfs/dbraw/zinc/47/65/26/804476526.db2.gz UVSASLIKPKIKEN-QGZVFWFLSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1ccc(O)c(CN2CCCC[C@@H]2C[NH+]2CCCC2)c1 ZINC001140621299 804476530 /nfs/dbraw/zinc/47/65/30/804476530.db2.gz UVSASLIKPKIKEN-QGZVFWFLSA-N 1 1 288.435 3.151 20 10 CGCDMO COCC[C@@H]1CCCC[N@H+]1Cc1cc(C)ccc1O ZINC001140621023 804476887 /nfs/dbraw/zinc/47/68/87/804476887.db2.gz MLAJFQLSXFMDRX-HNNXBMFYSA-N 1 1 263.381 3.092 20 10 CGCDMO COc1ccc(C[N@H+]2CCc3cccc(O)c3C2)c(C)c1 ZINC001140677004 804487388 /nfs/dbraw/zinc/48/73/88/804487388.db2.gz VJYTVEVVOTXCCT-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2c[nH]c3ccncc23)cc1 ZINC001140805667 804524628 /nfs/dbraw/zinc/52/46/28/804524628.db2.gz LXUFQUFKEIUXAS-UHFFFAOYSA-N 1 1 294.402 3.261 20 10 CGCDMO CN(C)c1ccc(C[N@H+](C)Cc2cnc3cc[nH]cc2-3)cc1 ZINC001140805667 804524632 /nfs/dbraw/zinc/52/46/32/804524632.db2.gz LXUFQUFKEIUXAS-UHFFFAOYSA-N 1 1 294.402 3.261 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cnc3cc[nH]cc2-3)cc1 ZINC001140805667 804524635 /nfs/dbraw/zinc/52/46/35/804524635.db2.gz LXUFQUFKEIUXAS-UHFFFAOYSA-N 1 1 294.402 3.261 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2CF)c(O)c1 ZINC001140855856 804534175 /nfs/dbraw/zinc/53/41/75/804534175.db2.gz DFHGYAVIHCJRCK-OAHLLOKOSA-N 1 1 280.387 3.172 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](CO)CC2)c(Cl)c1 ZINC001140922245 804548886 /nfs/dbraw/zinc/54/88/86/804548886.db2.gz LQJMFVCUSMCBNI-ZDUSSCGKSA-N 1 1 296.842 3.000 20 10 CGCDMO Cc1ccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c(O)c1 ZINC001140958042 804557518 /nfs/dbraw/zinc/55/75/18/804557518.db2.gz QEOUWKLTVGHMNS-UHFFFAOYSA-N 1 1 299.370 3.060 20 10 CGCDMO Cc1ccc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)c(O)c1 ZINC001140958127 804559053 /nfs/dbraw/zinc/55/90/53/804559053.db2.gz ROTOASKBXGSDFI-SFHVURJKSA-N 1 1 297.398 3.144 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](C)C[C@@H]2C)c(OC)c1 ZINC001141028065 804573855 /nfs/dbraw/zinc/57/38/55/804573855.db2.gz AACJKJZHJPCNIQ-NEPJUHHUSA-N 1 1 279.380 3.030 20 10 CGCDMO COc1cc(O)c(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c(OC)c1 ZINC001141029438 804574476 /nfs/dbraw/zinc/57/44/76/804574476.db2.gz RQBHJPDKBMTQJR-BETUJISGSA-N 1 1 291.391 3.031 20 10 CGCDMO CN1CCOc2cc(C[NH+]3Cc4ccccc4C3)ccc21 ZINC001141139299 804596813 /nfs/dbraw/zinc/59/68/13/804596813.db2.gz RBGSVVVRNHPUKR-UHFFFAOYSA-N 1 1 280.371 3.031 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC001141158638 804599611 /nfs/dbraw/zinc/59/96/11/804599611.db2.gz IBAJGFOTVOTKOD-INIZCTEOSA-N 1 1 284.359 3.220 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001142513072 804728760 /nfs/dbraw/zinc/72/87/60/804728760.db2.gz VZXABMQNVKHLTQ-MNOVXSKESA-N 1 1 267.319 3.292 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001142513072 804728764 /nfs/dbraw/zinc/72/87/64/804728764.db2.gz VZXABMQNVKHLTQ-MNOVXSKESA-N 1 1 267.319 3.292 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CCC(=O)C(C)(C)C2)c1O ZINC001143112625 804804320 /nfs/dbraw/zinc/80/43/20/804804320.db2.gz XRURDNVJNZDYIM-UHFFFAOYSA-N 1 1 289.419 3.491 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2ccccc2O)c(F)c1F ZINC001143915545 804905602 /nfs/dbraw/zinc/90/56/02/804905602.db2.gz JKKBVQLPTQDGQH-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO Cc1cc(C[N@H+](C)C2CC2)c(O)cc1Br ZINC001250120833 805428072 /nfs/dbraw/zinc/42/80/72/805428072.db2.gz RJNRXPASUKROBK-UHFFFAOYSA-N 1 1 270.170 3.057 20 10 CGCDMO C[C@@H](c1nnc(-c2ccc(-n3cccc3)cc2)o1)[NH+](C)C ZINC001256960898 807017133 /nfs/dbraw/zinc/01/71/33/807017133.db2.gz GKDLHVKTNSMZRX-LBPRGKRZSA-N 1 1 282.347 3.150 20 10 CGCDMO C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001168128453 807315980 /nfs/dbraw/zinc/31/59/80/807315980.db2.gz QQJHGKPDPQCXTR-CRAIPNDOSA-N 1 1 288.435 3.286 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)C1CCN(CC2CC2)CC1 ZINC001168387653 807400185 /nfs/dbraw/zinc/40/01/85/807400185.db2.gz NZOAGRPXABYAMY-UHFFFAOYSA-N 1 1 288.435 3.089 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)C1CCN(CC2CC2)CC1 ZINC001168387653 807400189 /nfs/dbraw/zinc/40/01/89/807400189.db2.gz NZOAGRPXABYAMY-UHFFFAOYSA-N 1 1 288.435 3.089 20 10 CGCDMO C[C@@H]1CCC[C@@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001258826617 807641026 /nfs/dbraw/zinc/64/10/26/807641026.db2.gz DVNLLJTXDNZQTJ-IUODEOHRSA-N 1 1 275.392 3.425 20 10 CGCDMO CCOc1ccc(N2CC3(CC[N@H+]3C3CCCC3)C2)cc1 ZINC001276925981 809044627 /nfs/dbraw/zinc/04/46/27/809044627.db2.gz KXVQVJURDPNANU-UHFFFAOYSA-N 1 1 286.419 3.292 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC001183371804 810147392 /nfs/dbraw/zinc/14/73/92/810147392.db2.gz TXIRLVZIMVEPQY-VXGBXAGGSA-N 1 1 283.824 3.231 20 10 CGCDMO COc1ccc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c(O)c1 ZINC001203634348 812412954 /nfs/dbraw/zinc/41/29/54/812412954.db2.gz AHSRCULFPPAWND-GASCZTMLSA-N 1 1 295.382 3.488 20 10 CGCDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC001203663942 812423044 /nfs/dbraw/zinc/42/30/44/812423044.db2.gz HGQOKTAIACTRDW-AWEZNQCLSA-N 1 1 283.799 3.435 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2CCCC(F)(F)[C@H](F)C2)cc1 ZINC001203931752 812494690 /nfs/dbraw/zinc/49/46/90/812494690.db2.gz VKTDXUZBVJZJDO-CQSZACIVSA-N 1 1 286.341 3.322 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC(F)(F)[C@H](F)C2)cc1 ZINC001203931752 812494694 /nfs/dbraw/zinc/49/46/94/812494694.db2.gz VKTDXUZBVJZJDO-CQSZACIVSA-N 1 1 286.341 3.322 20 10 CGCDMO COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001203931132 812494798 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CCc1ccc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)c(O)c1 ZINC001236783976 819593013 /nfs/dbraw/zinc/59/30/13/819593013.db2.gz QPDCEPOTAAEGMR-HOTGVXAUSA-N 1 1 287.403 3.288 20 10 CGCDMO COc1cc(O)c(C[N@@H+]2CCC[C@](C)(F)C2)c(Cl)c1 ZINC001236797179 819597205 /nfs/dbraw/zinc/59/72/05/819597205.db2.gz CNJWGXAHDNOHHX-AWEZNQCLSA-N 1 1 287.762 3.378 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@](C)(F)C2)c(Cl)c1 ZINC001236797179 819597208 /nfs/dbraw/zinc/59/72/08/819597208.db2.gz CNJWGXAHDNOHHX-AWEZNQCLSA-N 1 1 287.762 3.378 20 10 CGCDMO CCc1ccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c(O)c1 ZINC001236795199 819597646 /nfs/dbraw/zinc/59/76/46/819597646.db2.gz ROORZWOAPKQBNY-OAHLLOKOSA-N 1 1 282.387 3.339 20 10 CGCDMO COc1cc(O)c(C[N@@H+]2CCC[C@@H](OC)CC2)c(Cl)c1 ZINC001236803942 819602023 /nfs/dbraw/zinc/60/20/23/819602023.db2.gz QZHGRXQSLHJIFW-LLVKDONJSA-N 1 1 299.798 3.055 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)Cc2cccc(O)c2)c(O)c1 ZINC001236809647 819604642 /nfs/dbraw/zinc/60/46/42/819604642.db2.gz ZJAMYHORESLYTO-UHFFFAOYSA-N 1 1 287.359 3.047 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCCCC[C@H]2C)c(O)c1 ZINC001236812900 819605096 /nfs/dbraw/zinc/60/50/96/819605096.db2.gz HDOMTKWFUSFPKZ-CYBMUJFWSA-N 1 1 263.381 3.474 20 10 CGCDMO C[N@H+](Cc1ccon1)Cc1cc2ccccc2cc1O ZINC001236832919 819611294 /nfs/dbraw/zinc/61/12/94/819611294.db2.gz MJEBOKKBKASDCH-UHFFFAOYSA-N 1 1 268.316 3.165 20 10 CGCDMO C[N@@H+](Cc1ccon1)Cc1cc2ccccc2cc1O ZINC001236832919 819611299 /nfs/dbraw/zinc/61/12/99/819611299.db2.gz MJEBOKKBKASDCH-UHFFFAOYSA-N 1 1 268.316 3.165 20 10 CGCDMO CC[N@@H+](CCn1ccnc1)Cc1cc2ccccc2cc1O ZINC001236837606 819617187 /nfs/dbraw/zinc/61/71/87/819617187.db2.gz RBEBWQHSJZNHDL-UHFFFAOYSA-N 1 1 295.386 3.264 20 10 CGCDMO CC[C@@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236924055 819636710 /nfs/dbraw/zinc/63/67/10/819636710.db2.gz JYKXJWHCVCKORU-CYBMUJFWSA-N 1 1 296.842 3.407 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCc3ncc(C)cc3C2)c(O)c1 ZINC001237045880 819649933 /nfs/dbraw/zinc/64/99/33/819649933.db2.gz KCDMXJYZDNJTAA-UHFFFAOYSA-N 1 1 298.386 3.053 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](O)[C@@H](C)C2)c(O)c1 ZINC001237044409 819651143 /nfs/dbraw/zinc/65/11/43/819651143.db2.gz CSGMBDXZFOBRSB-BBRMVZONSA-N 1 1 277.408 3.108 20 10 CGCDMO CCOc1ccc(C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)c(O)c1 ZINC001237049841 819652016 /nfs/dbraw/zinc/65/20/16/819652016.db2.gz LWTOLOCQKLLNNO-LSDHHAIUSA-N 1 1 285.334 3.063 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC[C@@](C)(F)[C@@H](F)C2)c(O)c1 ZINC001237049841 819652018 /nfs/dbraw/zinc/65/20/18/819652018.db2.gz LWTOLOCQKLLNNO-LSDHHAIUSA-N 1 1 285.334 3.063 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237054161 819653990 /nfs/dbraw/zinc/65/39/90/819653990.db2.gz VWVMYZRDBVZHKE-JTQLQIEISA-N 1 1 289.297 3.175 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](N(C)C3CC3)C2)c(O)c1 ZINC001237055025 819654055 /nfs/dbraw/zinc/65/40/55/819654055.db2.gz LYIVTIQVZYRQAF-QGZVFWFLSA-N 1 1 288.435 3.184 20 10 CGCDMO CC(C)c1ccc(CN2CC[C@@H]([N@H+](C)C3CC3)C2)c(O)c1 ZINC001237055025 819654057 /nfs/dbraw/zinc/65/40/57/819654057.db2.gz LYIVTIQVZYRQAF-QGZVFWFLSA-N 1 1 288.435 3.184 20 10 CGCDMO CC(C)c1ccc(CN2CC[C@@H]([N@@H+](C)C3CC3)C2)c(O)c1 ZINC001237055025 819654059 /nfs/dbraw/zinc/65/40/59/819654059.db2.gz LYIVTIQVZYRQAF-QGZVFWFLSA-N 1 1 288.435 3.184 20 10 CGCDMO CC(C)c1ccc(C[NH+]2CC(Oc3cccnc3)C2)c(O)c1 ZINC001237054306 819655267 /nfs/dbraw/zinc/65/52/67/819655267.db2.gz VLSAZYRISVGENK-UHFFFAOYSA-N 1 1 298.386 3.174 20 10 CGCDMO CSCC[N@H+](C)Cc1c(O)ccc(Cl)c1Cl ZINC001237087506 819664401 /nfs/dbraw/zinc/66/44/01/819664401.db2.gz XYGRBZDMFOCKOY-UHFFFAOYSA-N 1 1 280.220 3.494 20 10 CGCDMO CSCC[N@@H+](C)Cc1c(O)ccc(Cl)c1Cl ZINC001237087506 819664405 /nfs/dbraw/zinc/66/44/05/819664405.db2.gz XYGRBZDMFOCKOY-UHFFFAOYSA-N 1 1 280.220 3.494 20 10 CGCDMO Oc1cccc(OC(F)(F)F)c1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001237121843 819673807 /nfs/dbraw/zinc/67/38/07/819673807.db2.gz ARJPZFSEUBVIEO-VHSXEESVSA-N 1 1 287.281 3.275 20 10 CGCDMO Oc1ccc(F)c(Cl)c1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001237127640 819674045 /nfs/dbraw/zinc/67/40/45/819674045.db2.gz DOQVXXALBRIOFJ-KCJUWKMLSA-N 1 1 255.720 3.169 20 10 CGCDMO Cc1cccc(O)c1C[NH+]1CCN(C2CCCCC2)CC1 ZINC001237480901 819760202 /nfs/dbraw/zinc/76/02/02/819760202.db2.gz AZLVWJRELGFPSS-UHFFFAOYSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001237487392 819762320 /nfs/dbraw/zinc/76/23/20/819762320.db2.gz IIWWWXCRPFDWCB-SNVBAGLBSA-N 1 1 259.271 3.085 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)CC2)c1O ZINC001237681367 819805426 /nfs/dbraw/zinc/80/54/26/819805426.db2.gz NIFBZTXSYUDYKZ-WBMJQRKESA-N 1 1 297.826 3.337 20 10 CGCDMO CC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC001237687159 819807154 /nfs/dbraw/zinc/80/71/54/819807154.db2.gz RZALXEUKRXGATC-CQSZACIVSA-N 1 1 281.783 3.298 20 10 CGCDMO CC(=O)[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC001237687159 819807163 /nfs/dbraw/zinc/80/71/63/819807163.db2.gz RZALXEUKRXGATC-CQSZACIVSA-N 1 1 281.783 3.298 20 10 CGCDMO CO[C@@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2O)[C@@H](C)C1 ZINC001237945399 819887545 /nfs/dbraw/zinc/88/75/45/819887545.db2.gz ZMHVZMGPFKIFHM-GXSJLCMTSA-N 1 1 287.762 3.184 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2O)[C@@H](C)C1 ZINC001237945399 819887557 /nfs/dbraw/zinc/88/75/57/819887557.db2.gz ZMHVZMGPFKIFHM-GXSJLCMTSA-N 1 1 287.762 3.184 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CC[C@](C)(CF)C2)c1O ZINC001238055705 819919375 /nfs/dbraw/zinc/91/93/75/819919375.db2.gz CCMFWOSCQSOIEU-CQSZACIVSA-N 1 1 255.308 3.021 20 10 CGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CC[C@H]1C1CC1 ZINC001344077640 936525509 /nfs/dbraw/zinc/52/55/09/936525509.db2.gz YTVQQISZPDHAMV-KRWDZBQOSA-N 1 1 256.393 3.271 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001350585005 936995186 /nfs/dbraw/zinc/99/51/86/936995186.db2.gz YPIBHMFDDWDKNV-ZFRGLUTLSA-N 1 1 291.700 3.318 20 10 CGCDMO Cc1cc(O)c(CN(C)[C@H]2CC[N@H+](C(C)C)C2)cc1Cl ZINC001474577025 937207087 /nfs/dbraw/zinc/20/70/87/937207087.db2.gz DZFFNUNINJIAJJ-AWEZNQCLSA-N 1 1 296.842 3.269 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCN(C(C)C)C2)cc1Cl ZINC001474577025 937207090 /nfs/dbraw/zinc/20/70/90/937207090.db2.gz DZFFNUNINJIAJJ-AWEZNQCLSA-N 1 1 296.842 3.269 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)[C@H]2CCN(C(C)C)C2)cc1Cl ZINC001474577025 937207093 /nfs/dbraw/zinc/20/70/93/937207093.db2.gz DZFFNUNINJIAJJ-AWEZNQCLSA-N 1 1 296.842 3.269 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@H](C(C)(C)O)C2)ccc1N(C)C ZINC001460751512 937543830 /nfs/dbraw/zinc/54/38/30/937543830.db2.gz RAJBJUMUMBTKJW-INIZCTEOSA-N 1 1 290.451 3.044 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@@](C)(F)[C@@H](F)C2)c1O ZINC001140178339 931956886 /nfs/dbraw/zinc/95/68/86/931956886.db2.gz ISKHDSQWGAPTPB-DZGCQCFKSA-N 1 1 269.335 3.281 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@@H](C)C(F)(F)C2)c1O ZINC001140178294 931957069 /nfs/dbraw/zinc/95/70/69/931957069.db2.gz HFDAGTMHOXJPPJ-GFCCVEGCSA-N 1 1 269.335 3.486 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](C)C(F)(F)C2)c1O ZINC001140178294 931957072 /nfs/dbraw/zinc/95/70/72/931957072.db2.gz HFDAGTMHOXJPPJ-GFCCVEGCSA-N 1 1 269.335 3.486 20 10 CGCDMO CC[C@@]1(CO)CCC[N@H+]1Cc1cc(C(C)C)ccc1O ZINC001462119695 937618658 /nfs/dbraw/zinc/61/86/58/937618658.db2.gz WSBIDKQGHZGCMV-KRWDZBQOSA-N 1 1 277.408 3.253 20 10 CGCDMO CC[C@@H]1CC[N@@H+](Cc2cc(C)cc(OC)c2O)[C@H]1C ZINC001462124077 937619252 /nfs/dbraw/zinc/61/92/52/937619252.db2.gz LNQFBXKMKOKXFU-QWHCGFSZSA-N 1 1 263.381 3.330 20 10 CGCDMO C[C@]1([NH2+]Cc2cc(F)c(F)cc2O)CC=CCC1 ZINC001462343795 937633716 /nfs/dbraw/zinc/63/37/16/937633716.db2.gz RHHJGVHETDPJDF-AWEZNQCLSA-N 1 1 253.292 3.259 20 10 CGCDMO CCc1cccc(C[N@H+](C)C(C)(C)CN2CCCC2)c1O ZINC001462391082 937637453 /nfs/dbraw/zinc/63/74/53/937637453.db2.gz XWMQDUHOGIRDED-UHFFFAOYSA-N 1 1 290.451 3.261 20 10 CGCDMO CCc1cccc(C[N@@H+](C)C(C)(C)CN2CCCC2)c1O ZINC001462391082 937637454 /nfs/dbraw/zinc/63/74/54/937637454.db2.gz XWMQDUHOGIRDED-UHFFFAOYSA-N 1 1 290.451 3.261 20 10 CGCDMO Oc1ccc(Cl)cc1C[NH2+]Cc1nc(Cl)cs1 ZINC001462396256 937638056 /nfs/dbraw/zinc/63/80/56/937638056.db2.gz PICYYSUBNNJORR-UHFFFAOYSA-N 1 1 289.187 3.445 20 10 CGCDMO CCCOc1ccc(CN[C@H](C)CC[NH+](C)C)cc1C ZINC001308234783 933078463 /nfs/dbraw/zinc/07/84/63/933078463.db2.gz YAOANBDZFADVHJ-OAHLLOKOSA-N 1 1 278.440 3.214 20 10 CGCDMO CCCOc1ccc(C[NH2+][C@H](C)CCN(C)C)cc1C ZINC001308234783 933078467 /nfs/dbraw/zinc/07/84/67/933078467.db2.gz YAOANBDZFADVHJ-OAHLLOKOSA-N 1 1 278.440 3.214 20 10 CGCDMO CC[NH+](CC)CC[C@@H](C)NCc1ccc2c(c1)CCCO2 ZINC001308554135 933132075 /nfs/dbraw/zinc/13/20/75/933132075.db2.gz FSNJYPCMKOTZPP-OAHLLOKOSA-N 1 1 290.451 3.222 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+]C[C@@H]1CCCCS1 ZINC001308636387 933148575 /nfs/dbraw/zinc/14/85/75/933148575.db2.gz AGQGVDWRTBDKNK-JTQLQIEISA-N 1 1 273.348 3.046 20 10 CGCDMO COc1cc(C)c(C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c(O)c1 ZINC001308827309 933185974 /nfs/dbraw/zinc/18/59/74/933185974.db2.gz ZCDNXLAXCYWLMW-XQQFMLRXSA-N 1 1 263.381 3.186 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1cncc3ccccc31)C2 ZINC001308910712 933202074 /nfs/dbraw/zinc/20/20/74/933202074.db2.gz PADQAVSCUHNATR-UHFFFAOYSA-N 1 1 276.339 3.456 20 10 CGCDMO C[C@H]1CCCC[C@H]1C[NH2+]Cc1c(O)cccc1F ZINC001308947286 933210021 /nfs/dbraw/zinc/21/00/21/933210021.db2.gz BQUUXXBKLVNJND-RYUDHWBXSA-N 1 1 251.345 3.447 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC001308944324 933210296 /nfs/dbraw/zinc/21/02/96/933210296.db2.gz QMGSJKBZLABEMT-NSHDSACASA-N 1 1 299.773 3.234 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@@H+](C)Cc2cccc(=O)[nH]2)c1 ZINC001308950377 933211788 /nfs/dbraw/zinc/21/17/88/933211788.db2.gz OEQLKBCPVADLRF-UHFFFAOYSA-N 1 1 286.375 3.248 20 10 CGCDMO CC1(C)CC2(CC([NH2+]Cc3cc(F)c(F)cc3O)C2)CO1 ZINC001308968055 933215565 /nfs/dbraw/zinc/21/55/65/933215565.db2.gz GATYZHCEBJKZDQ-UHFFFAOYSA-N 1 1 297.345 3.108 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H]1F ZINC001319908869 933956591 /nfs/dbraw/zinc/95/65/91/933956591.db2.gz YRHDNPAEFMPYDI-PBHICJAKSA-N 1 1 276.399 3.467 20 10 CGCDMO CCN1CCC[C@H](C[NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC001320118327 934003653 /nfs/dbraw/zinc/00/36/53/934003653.db2.gz IFUDMXRKGUSMIW-HZPDHXFCSA-N 1 1 290.451 3.392 20 10 CGCDMO Cc1cc(O)c(CN2CCC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC001325582632 934918982 /nfs/dbraw/zinc/91/89/82/934918982.db2.gz RVAPWQQEQPPJGN-CYBMUJFWSA-N 1 1 294.826 3.024 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](CCO)CC2)cc1Cl ZINC001328209601 935124256 /nfs/dbraw/zinc/12/42/56/935124256.db2.gz NVJOPERYWRBLAF-ZDUSSCGKSA-N 1 1 297.826 3.339 20 10 CGCDMO CCC[N@@H+](Cc1ccnc(F)c1)Cc1ccccc1O ZINC001331349267 935373192 /nfs/dbraw/zinc/37/31/92/935373192.db2.gz AOJKQIXVHBTQLR-UHFFFAOYSA-N 1 1 274.339 3.339 20 10 CGCDMO CCOc1ccc2c(c1)C[N@H+](Cc1ccc(N)cc1)CC2 ZINC001334755112 936111913 /nfs/dbraw/zinc/11/19/13/936111913.db2.gz WKAIVAFUYCZZCG-UHFFFAOYSA-N 1 1 282.387 3.226 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC001474333935 937852031 /nfs/dbraw/zinc/85/20/31/937852031.db2.gz GPYAGXFKOOOAFV-OLZOCXBDSA-N 1 1 263.381 3.125 20 10 CGCDMO CC[C@]1(C)C[N@@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC001474448889 937860589 /nfs/dbraw/zinc/86/05/89/937860589.db2.gz NMEKDOMLRSLLOT-QGZVFWFLSA-N 1 1 276.424 3.062 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2C[C@@H](C)N(C)C[C@H]2C)c1 ZINC001474463643 937861369 /nfs/dbraw/zinc/86/13/69/937861369.db2.gz TVUQJKMMJKDSJS-ZIAGYGMSSA-N 1 1 276.424 3.040 20 10 CGCDMO CC(C)c1ccc(O)c(CN2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC001474463643 937861371 /nfs/dbraw/zinc/86/13/71/937861371.db2.gz TVUQJKMMJKDSJS-ZIAGYGMSSA-N 1 1 276.424 3.040 20 10 CGCDMO CC(C)c1ccc(O)c(CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC001474463643 937861373 /nfs/dbraw/zinc/86/13/73/937861373.db2.gz TVUQJKMMJKDSJS-ZIAGYGMSSA-N 1 1 276.424 3.040 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]Cc1cnc(Cl)c(F)c1 ZINC001474716184 937876602 /nfs/dbraw/zinc/87/66/02/937876602.db2.gz DXJPTVQWXHYKLB-UHFFFAOYSA-N 1 1 284.693 3.009 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC001474716050 937876620 /nfs/dbraw/zinc/87/66/20/937876620.db2.gz AMSCDKFGXNSZDN-UHFFFAOYSA-N 1 1 270.307 3.302 20 10 CGCDMO CCc1nc(NCc2ccc3cccnc3c2O)cc(C)[nH+]1 ZINC001559216851 938222662 /nfs/dbraw/zinc/22/26/62/938222662.db2.gz QDINGLLIQIZJBT-UHFFFAOYSA-N 1 1 294.358 3.213 20 10 CGCDMO Cc1c2ccccc2n(C)c1CNCC[N@@H+]1CCC(C)(C)C1 ZINC001560616341 938265893 /nfs/dbraw/zinc/26/58/93/938265893.db2.gz ZIODRRDGSAVBRP-UHFFFAOYSA-N 1 1 299.462 3.308 20 10 CGCDMO Cc1c2ccccc2n(C)c1CNCC[N@H+]1CCC(C)(C)C1 ZINC001560616341 938265894 /nfs/dbraw/zinc/26/58/94/938265894.db2.gz ZIODRRDGSAVBRP-UHFFFAOYSA-N 1 1 299.462 3.308 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC001560756956 938274378 /nfs/dbraw/zinc/27/43/78/938274378.db2.gz BTDRPEMVHDLIRY-CQSZACIVSA-N 1 1 291.391 3.007 20 10 CGCDMO CC[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2O)[C@H]1C ZINC001560772351 938274860 /nfs/dbraw/zinc/27/48/60/938274860.db2.gz VSWJGAJGXZISEA-NWDGAFQWSA-N 1 1 279.380 3.030 20 10 CGCDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001560832985 938278422 /nfs/dbraw/zinc/27/84/22/938278422.db2.gz UZPOBBUEXACFAF-CYBMUJFWSA-N 1 1 283.799 3.029 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC001560908836 938283125 /nfs/dbraw/zinc/28/31/25/938283125.db2.gz BYUJOTDZPMXFGW-CYBMUJFWSA-N 1 1 297.345 3.204 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC001560908836 938283127 /nfs/dbraw/zinc/28/31/27/938283127.db2.gz BYUJOTDZPMXFGW-CYBMUJFWSA-N 1 1 297.345 3.204 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H]1CCCCO1 ZINC000069009965 283297166 /nfs/dbraw/zinc/29/71/66/283297166.db2.gz ZHHLTOLPZMGBIG-OAHLLOKOSA-N 1 1 263.381 3.173 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)cc1C ZINC000092728989 370100305 /nfs/dbraw/zinc/10/03/05/370100305.db2.gz FCLXZRJVAVCWHV-HNNXBMFYSA-N 1 1 285.391 3.459 20 10 CGCDMO C[C@@H]([NH2+]C[C@]1(C)CCCS1)c1ccc(F)cc1O ZINC000133979879 371294275 /nfs/dbraw/zinc/29/42/75/371294275.db2.gz LTNQGNJOVJRGDS-YGRLFVJLSA-N 1 1 269.385 3.468 20 10 CGCDMO CCC[N@@H+](CCOC1CCC1)Cc1ccccc1O ZINC000287611056 371683350 /nfs/dbraw/zinc/68/33/50/371683350.db2.gz DRUCSRFQBGUKQT-UHFFFAOYSA-N 1 1 263.381 3.173 20 10 CGCDMO CC[C@H]([NH2+]Cc1cnccc1OC)c1ccc(F)cc1O ZINC000294515214 372658420 /nfs/dbraw/zinc/65/84/20/372658420.db2.gz YYKIRMZWNSDASC-AWEZNQCLSA-N 1 1 290.338 3.176 20 10 CGCDMO CS[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294966812 372681567 /nfs/dbraw/zinc/68/15/67/372681567.db2.gz FJIODCBKDUNSQL-SECBINFHSA-N 1 1 275.776 3.122 20 10 CGCDMO CS[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294966812 372681573 /nfs/dbraw/zinc/68/15/73/372681573.db2.gz FJIODCBKDUNSQL-SECBINFHSA-N 1 1 275.776 3.122 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1 ZINC000298311755 373294731 /nfs/dbraw/zinc/29/47/31/373294731.db2.gz QHUNMXZCQRGNOP-LSDHHAIUSA-N 1 1 280.362 3.230 20 10 CGCDMO COC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000180199382 373976431 /nfs/dbraw/zinc/97/64/31/373976431.db2.gz NUNCKWFWRZXOCK-LBPRGKRZSA-N 1 1 283.799 3.212 20 10 CGCDMO COc1cc(O)c(C[N@H+]2C[C@@H](C)CC[C@H]2C)cc1OC ZINC000180310592 373988210 /nfs/dbraw/zinc/98/82/10/373988210.db2.gz CEFPVEQPPKEKEV-NWDGAFQWSA-N 1 1 279.380 3.030 20 10 CGCDMO C[C@@H]([NH2+]CCc1ccc(Cl)nc1)c1ccc(F)cc1O ZINC000185750630 374730215 /nfs/dbraw/zinc/73/02/15/374730215.db2.gz GPFHCZYWZSKWAL-SNVBAGLBSA-N 1 1 294.757 3.473 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000191603768 375644378 /nfs/dbraw/zinc/64/43/78/375644378.db2.gz QRJQCNDNDHHNHI-HZMBPMFUSA-N 1 1 299.773 3.232 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccccc2O)[C@@H](c2ccccc2)CO1 ZINC000245617427 376870502 /nfs/dbraw/zinc/87/05/02/376870502.db2.gz PZCFKLNHUCEBPL-WMLDXEAASA-N 1 1 283.371 3.354 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245693791 376882485 /nfs/dbraw/zinc/88/24/85/376882485.db2.gz BZOSRLXSFJAAGB-NHYWBVRUSA-N 1 1 281.783 3.047 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2cccs2)c1 ZINC000271020431 378428372 /nfs/dbraw/zinc/42/83/72/378428372.db2.gz TYTRGNTXFXKWIG-UHFFFAOYSA-N 1 1 277.389 3.484 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000271051372 378440345 /nfs/dbraw/zinc/44/03/45/378440345.db2.gz WFKRWNPYMHZGMA-SFHVURJKSA-N 1 1 283.371 3.274 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000271296215 378489620 /nfs/dbraw/zinc/48/96/20/378489620.db2.gz RFTZZUAYPKLKQR-GOSISDBHSA-N 1 1 296.414 3.099 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC3(C2)CCOCC3)c1O ZINC000271763882 378502414 /nfs/dbraw/zinc/50/24/14/378502414.db2.gz FGYYNBQTPHVOLI-UHFFFAOYSA-N 1 1 295.810 3.357 20 10 CGCDMO COc1ccc(O)c(C[N@@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000271834480 378510335 /nfs/dbraw/zinc/51/03/35/378510335.db2.gz PIBROYNPYQAZMI-UHFFFAOYSA-N 1 1 287.281 3.095 20 10 CGCDMO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)c(O)c1C ZINC000273439698 378745974 /nfs/dbraw/zinc/74/59/74/378745974.db2.gz YCESRJWEPVHWEZ-GJZGRUSLSA-N 1 1 288.435 3.144 20 10 CGCDMO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1O ZINC000374995743 379483219 /nfs/dbraw/zinc/48/32/19/379483219.db2.gz NPSUAPURHPVAHC-MQVJKMGUSA-N 1 1 297.402 3.036 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1[O-] ZINC000375887845 379514791 /nfs/dbraw/zinc/51/47/91/379514791.db2.gz JUWAFARBXKMDFD-DZKIICNBSA-N 1 1 292.398 3.199 20 10 CGCDMO [O-]c1c(F)cccc1CN1CCC=C(Br)C1 ZINC000282439557 379919401 /nfs/dbraw/zinc/91/94/01/379919401.db2.gz ULQDIPOTFHNBNT-UHFFFAOYSA-N 1 1 286.144 3.016 20 10 CGCDMO Cc1noc([C@H]2CCC[N@H+]2Cc2cc(C)c(C)cc2O)n1 ZINC000285189194 380144423 /nfs/dbraw/zinc/14/44/23/380144423.db2.gz ROKUEFFMQPKOGL-CQSZACIVSA-N 1 1 287.363 3.038 20 10 CGCDMO CC[C@H]([NH2+]CC1(C)CCOCC1)c1ccc(F)cc1O ZINC000286121932 380162440 /nfs/dbraw/zinc/16/24/40/380162440.db2.gz NSDGOQLPHSXTGD-AWEZNQCLSA-N 1 1 281.371 3.389 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)c1cnn(C)c1)c1ccc(F)cc1O ZINC000286165561 380169015 /nfs/dbraw/zinc/16/90/15/380169015.db2.gz QBQZIUOASHKOAQ-YGRLFVJLSA-N 1 1 277.343 3.067 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccc(F)cc1O ZINC000285960538 380155233 /nfs/dbraw/zinc/15/52/33/380155233.db2.gz GPEOFQLINZUPHO-XUJVJEKNSA-N 1 1 281.371 3.387 20 10 CGCDMO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccc(F)cc1O ZINC000363845761 382258692 /nfs/dbraw/zinc/25/86/92/382258692.db2.gz BEOVZYYRPAGTCM-YWSWHFDRSA-N 1 1 293.382 3.386 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)[C@@H](C)C(C)C)c1O ZINC000132237574 392460013 /nfs/dbraw/zinc/46/00/13/392460013.db2.gz YEYRGHIFXUKVGD-LBPRGKRZSA-N 1 1 251.370 3.267 20 10 CGCDMO CCc1cc(NCCCSc2nccs2)nc(C)[nH+]1 ZINC000302035157 392607650 /nfs/dbraw/zinc/60/76/50/392607650.db2.gz FFALIMWWFMQYAK-UHFFFAOYSA-N 1 1 294.449 3.398 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000179564485 392702200 /nfs/dbraw/zinc/70/22/00/392702200.db2.gz PXSUCAKSQBALEU-AWEZNQCLSA-N 1 1 275.373 3.027 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccccc2O)[C@H](c2ccccc2)CO1 ZINC000179579924 392704485 /nfs/dbraw/zinc/70/44/85/392704485.db2.gz PZCFKLNHUCEBPL-YOEHRIQHSA-N 1 1 283.371 3.354 20 10 CGCDMO [O-]c1c(F)cccc1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000361070498 393664385 /nfs/dbraw/zinc/66/43/85/393664385.db2.gz WYEQLEKLOCLQFQ-HNNXBMFYSA-N 1 1 287.334 3.185 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000361070498 393664389 /nfs/dbraw/zinc/66/43/89/393664389.db2.gz WYEQLEKLOCLQFQ-HNNXBMFYSA-N 1 1 287.334 3.185 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000361070498 393664393 /nfs/dbraw/zinc/66/43/93/393664393.db2.gz WYEQLEKLOCLQFQ-HNNXBMFYSA-N 1 1 287.334 3.185 20 10 CGCDMO Cc1ccc([C@H](C)[NH2+]CCCN2CCCCC2)c(O)c1 ZINC000020128885 171015937 /nfs/dbraw/zinc/01/59/37/171015937.db2.gz WIQVOIITGIGPQA-HNNXBMFYSA-N 1 1 276.424 3.227 20 10 CGCDMO CC[C@@](C)([NH2+]Cc1ccc2c(c1)CCO2)c1nccs1 ZINC000152643553 261067524 /nfs/dbraw/zinc/06/75/24/261067524.db2.gz NZVABPKEEHPOOM-MRXNPFEDSA-N 1 1 288.416 3.493 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(F)cc1O ZINC000185772173 262069982 /nfs/dbraw/zinc/06/99/82/262069982.db2.gz NZNVAKHPMVPCHW-DVUFPGTOSA-N 1 1 279.355 3.140 20 10 CGCDMO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2O)cn1 ZINC000296109932 263186172 /nfs/dbraw/zinc/18/61/72/263186172.db2.gz ZMAVINWQIVFMSC-MNOVXSKESA-N 1 1 277.343 3.160 20 10 CGCDMO CO[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000377273763 268063233 /nfs/dbraw/zinc/06/32/33/268063233.db2.gz RFGXAGKSCAGSGR-SNVBAGLBSA-N 1 1 287.762 3.186 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000377273763 268063236 /nfs/dbraw/zinc/06/32/36/268063236.db2.gz RFGXAGKSCAGSGR-SNVBAGLBSA-N 1 1 287.762 3.186 20 10 CGCDMO CC1(C)[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)[C@H]2CCO[C@@H]21 ZINC000293754460 328277569 /nfs/dbraw/zinc/27/75/69/328277569.db2.gz YLRRDJNUUHWMHT-FZQKWOKYSA-N 1 1 299.773 3.088 20 10 CGCDMO CCC[C@@]1(CO)CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000377840219 329031355 /nfs/dbraw/zinc/03/13/55/329031355.db2.gz QCWJEOOYQFOAAO-OAHLLOKOSA-N 1 1 283.799 3.030 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c1O ZINC000378624233 329056845 /nfs/dbraw/zinc/05/68/45/329056845.db2.gz MYOWYYSIGMYKGJ-INIZCTEOSA-N 1 1 282.387 3.160 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000378627991 329057010 /nfs/dbraw/zinc/05/70/10/329057010.db2.gz BYSPWJLVEQUETA-INIZCTEOSA-N 1 1 282.387 3.160 20 10 CGCDMO CCN(C)c1ccc([C@H](C)[NH2+]Cc2nccs2)cc1 ZINC000128140971 520288757 /nfs/dbraw/zinc/28/87/57/520288757.db2.gz JFYWCHJIICANCX-LBPRGKRZSA-N 1 1 275.421 3.450 20 10 CGCDMO CC1(C)C[N@@H+](Cc2ccccc2O)[C@@H]1c1cccnc1 ZINC000292870146 520482697 /nfs/dbraw/zinc/48/26/97/520482697.db2.gz WJOIDOZNLHDBAD-MRXNPFEDSA-N 1 1 268.360 3.370 20 10 CGCDMO CCCC[N@@H+](Cc1cc(C)ncn1)Cc1ccccc1O ZINC000292756299 520545140 /nfs/dbraw/zinc/54/51/40/520545140.db2.gz HXRXPAYIRWBYGT-UHFFFAOYSA-N 1 1 285.391 3.293 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](CSC)C2)c1O ZINC000292869742 521337859 /nfs/dbraw/zinc/33/78/59/521337859.db2.gz WGFFVFWDVYLINT-CYBMUJFWSA-N 1 1 295.448 3.366 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1O ZINC000292840934 521346134 /nfs/dbraw/zinc/34/61/34/521346134.db2.gz SCYKBBJBBXONNJ-HIFRSBDPSA-N 1 1 297.345 3.268 20 10 CGCDMO CC[C@H](CSC)[N@@H+](C)Cc1cccc(C)c1O ZINC000290310358 522269510 /nfs/dbraw/zinc/26/95/10/522269510.db2.gz CDCWSMDWPONGOS-CYBMUJFWSA-N 1 1 253.411 3.274 20 10 CGCDMO COC[C@@H]1CC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000293729717 522483324 /nfs/dbraw/zinc/48/33/24/522483324.db2.gz UTMJVCANYVLNPA-KRWDZBQOSA-N 1 1 283.371 3.280 20 10 CGCDMO CC[C@H]([NH2+]CC(C)(C)COC)c1ccc(F)cc1O ZINC000293276219 522569275 /nfs/dbraw/zinc/56/92/75/522569275.db2.gz CPVWVLBYRRMZDE-ZDUSSCGKSA-N 1 1 269.360 3.245 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@H]2c2ccncc2)c1O ZINC000289681197 524395881 /nfs/dbraw/zinc/39/58/81/524395881.db2.gz DZMAYRHKKNPFGE-INIZCTEOSA-N 1 1 268.360 3.433 20 10 CGCDMO Cc1cccc(C[N@H+]2CCCc3occc3C2)c1O ZINC000290182007 524397415 /nfs/dbraw/zinc/39/74/15/524397415.db2.gz NWSIZOUJQONUSL-UHFFFAOYSA-N 1 1 257.333 3.242 20 10 CGCDMO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cccc(Cl)c1O ZINC000289905124 525091496 /nfs/dbraw/zinc/09/14/96/525091496.db2.gz URCGLLJVKQUDQB-WFASDCNBSA-N 1 1 294.826 3.104 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC(F)(F)[C@@H](C)C2)cc1C ZINC000291710063 525315700 /nfs/dbraw/zinc/31/57/00/525315700.db2.gz ZTKJCSDPUBOAGK-LBPRGKRZSA-N 1 1 269.335 3.486 20 10 CGCDMO Oc1c(F)cccc1C[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000276697521 526331301 /nfs/dbraw/zinc/33/13/01/526331301.db2.gz DSMQGOUAYLYTBU-AWEZNQCLSA-N 1 1 291.297 3.284 20 10 CGCDMO Cn1cc(C[N@@H+](Cc2ccccc2O)C2CCCCC2)cn1 ZINC000070977043 527196214 /nfs/dbraw/zinc/19/62/14/527196214.db2.gz PFHFNZXWZKLLQJ-UHFFFAOYSA-N 1 1 299.418 3.461 20 10 CGCDMO CCC[N@H+](Cc1cccc(OC)c1O)C[C@@H]1CCCCO1 ZINC000093132449 618396150 /nfs/dbraw/zinc/39/61/50/618396150.db2.gz PCHRVTOBQPYWGK-HNNXBMFYSA-N 1 1 293.407 3.182 20 10 CGCDMO C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1O ZINC000179579829 618796345 /nfs/dbraw/zinc/79/63/45/618796345.db2.gz NZHNJMDYJJMNOM-ZDUSSCGKSA-N 1 1 253.345 3.339 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])[C@@H](C)[C@H](C)O1 ZINC000783738358 618917130 /nfs/dbraw/zinc/91/71/30/618917130.db2.gz SAAOBFOCYCNELD-VWYCJHECSA-N 1 1 269.772 3.043 20 10 CGCDMO C[C@@H]1CN(Cc2cccc(Cl)c2[O-])[C@@H](C)[C@H](C)O1 ZINC000783738358 618917132 /nfs/dbraw/zinc/91/71/32/618917132.db2.gz SAAOBFOCYCNELD-VWYCJHECSA-N 1 1 269.772 3.043 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CCS1 ZINC000093501887 619202055 /nfs/dbraw/zinc/20/20/55/619202055.db2.gz WHCIZQYSESBQDO-OAHLLOKOSA-N 1 1 264.438 3.080 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCS[C@@H](C)[C@@H]2C)c1 ZINC000093501507 619202273 /nfs/dbraw/zinc/20/22/73/619202273.db2.gz CQQYPODWKRUDND-RYUDHWBXSA-N 1 1 281.421 3.117 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000840940597 619232654 /nfs/dbraw/zinc/23/26/54/619232654.db2.gz HPBLLUGLXTYXDF-CRAIPNDOSA-N 1 1 290.451 3.186 20 10 CGCDMO Cc1ccc(O)c(C[NH2+][C@H](C)c2nc(C(C)(C)C)no2)c1 ZINC000237452470 619308123 /nfs/dbraw/zinc/30/81/23/619308123.db2.gz BDLPAODDDAVJKH-LLVKDONJSA-N 1 1 289.379 3.232 20 10 CGCDMO CC[N@H+](Cc1nccs1)Cc1ccc(N(C)C)cc1 ZINC000749515812 619736279 /nfs/dbraw/zinc/73/62/79/619736279.db2.gz XELHBOMIHCTGOO-UHFFFAOYSA-N 1 1 275.421 3.231 20 10 CGCDMO CC[N@@H+](Cc1nccs1)Cc1ccc(N(C)C)cc1 ZINC000749515812 619736283 /nfs/dbraw/zinc/73/62/83/619736283.db2.gz XELHBOMIHCTGOO-UHFFFAOYSA-N 1 1 275.421 3.231 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895842747 619892731 /nfs/dbraw/zinc/89/27/31/619892731.db2.gz FHVOESFPFMKNRL-XHDPSFHLSA-N 1 1 281.783 3.047 20 10 CGCDMO Cc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)c(O)c1 ZINC000896423736 620007119 /nfs/dbraw/zinc/00/71/19/620007119.db2.gz KWDAPWQXDLCSGX-YOEHRIQHSA-N 1 1 287.334 3.262 20 10 CGCDMO Oc1cccc(F)c1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000896638836 620041465 /nfs/dbraw/zinc/04/14/65/620041465.db2.gz CEHQUQAKHSKTMK-LBPRGKRZSA-N 1 1 279.355 3.113 20 10 CGCDMO CC(C)Cc1ccc(C[NH2+]Cc2c(O)cccc2F)cn1 ZINC000896639590 620041657 /nfs/dbraw/zinc/04/16/57/620041657.db2.gz MEXRQKMDTAUMMO-UHFFFAOYSA-N 1 1 288.366 3.415 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000897267753 620174839 /nfs/dbraw/zinc/17/48/39/620174839.db2.gz OYFQNGLPAQQTHA-OAHLLOKOSA-N 1 1 275.392 3.031 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1[O-] ZINC000841744132 620345681 /nfs/dbraw/zinc/34/56/81/620345681.db2.gz FIIYFVBTWHLNMT-IACUBPJLSA-N 1 1 294.826 3.323 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@H](Cc3nccs3)C2)c(O)c1 ZINC000898068133 620474744 /nfs/dbraw/zinc/47/47/44/620474744.db2.gz LHRGTIFJPPINHJ-CYBMUJFWSA-N 1 1 288.416 3.222 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000898516175 620595091 /nfs/dbraw/zinc/59/50/91/620595091.db2.gz NNWOETNWCKNQIR-HOCLYGCPSA-N 1 1 275.392 3.031 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000898515898 620595144 /nfs/dbraw/zinc/59/51/44/620595144.db2.gz HKEQCUOIBPCOSM-KBPBESRZSA-N 1 1 293.382 3.170 20 10 CGCDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000902634848 621390210 /nfs/dbraw/zinc/39/02/10/621390210.db2.gz UDIJLUSQNGPHHY-DZGCQCFKSA-N 1 1 293.407 3.005 20 10 CGCDMO C[C@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1cncs1 ZINC000903305377 621679075 /nfs/dbraw/zinc/67/90/75/621679075.db2.gz LKUGVBMVONEQSS-IUCAKERBSA-N 1 1 266.341 3.400 20 10 CGCDMO C[C@H]([NH2+][C@@H]1COC[C@H]1C)c1cc(Cl)c(Cl)cc1O ZINC000903393851 621719385 /nfs/dbraw/zinc/71/93/85/621719385.db2.gz URSWOILFMMDUHA-RGNHYFCHSA-N 1 1 290.190 3.385 20 10 CGCDMO C[C@@H]1CCN(Cc2cc(Cl)c(F)cc2O)C[C@@H]1F ZINC000816564986 625595217 /nfs/dbraw/zinc/59/52/17/625595217.db2.gz XMLQHTKSZGEGQT-PELKAZGASA-N 1 1 275.726 3.365 20 10 CGCDMO Cc1cnc(CC[N@H+](C)Cc2cc(C)cc(C)c2O)s1 ZINC000165180875 622857106 /nfs/dbraw/zinc/85/71/06/622857106.db2.gz TYWKYZXQEPWPEV-UHFFFAOYSA-N 1 1 290.432 3.448 20 10 CGCDMO CCCCOCCC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000168732238 623013285 /nfs/dbraw/zinc/01/32/85/623013285.db2.gz AEQLUMDCTUVNTP-LBPRGKRZSA-N 1 1 269.360 3.389 20 10 CGCDMO Cc1cc(C)n(CCC[NH2+][C@@H](C)c2ccc(F)cc2O)n1 ZINC000168735614 623013519 /nfs/dbraw/zinc/01/35/19/623013519.db2.gz PRLOCLCRZCNPQM-ZDUSSCGKSA-N 1 1 291.370 3.086 20 10 CGCDMO CCO[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000228561003 623063202 /nfs/dbraw/zinc/06/32/02/623063202.db2.gz YGIWSMJLHMDDLC-CYBMUJFWSA-N 1 1 299.798 3.055 20 10 CGCDMO C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000062744823 623264968 /nfs/dbraw/zinc/26/49/68/623264968.db2.gz BSCLTWUKIRCTAH-KBPBESRZSA-N 1 1 294.414 3.446 20 10 CGCDMO COc1ccc(CNC[C@H](CC(C)C)[NH+](C)C)cc1C ZINC000035258550 623423826 /nfs/dbraw/zinc/42/38/26/623423826.db2.gz ZMKIIDMPOIFKCF-INIZCTEOSA-N 1 1 278.440 3.070 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)C2CCCCC2)c1O ZINC000915791411 624029681 /nfs/dbraw/zinc/02/96/81/624029681.db2.gz GCKZTZHEUQOSJE-UHFFFAOYSA-N 1 1 263.381 3.474 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)Cc2ccccc21 ZINC000915839743 624041050 /nfs/dbraw/zinc/04/10/50/624041050.db2.gz MOZPGDOJNBGCDM-LBPRGKRZSA-N 1 1 297.354 3.240 20 10 CGCDMO CCc1cc(C[N@H+]2CCOC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000919938568 624434343 /nfs/dbraw/zinc/43/43/43/624434343.db2.gz LVHSCKIXVZJRDY-ZDUSSCGKSA-N 1 1 291.435 3.473 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC(C)(C)C2)c1O ZINC000070259427 624990448 /nfs/dbraw/zinc/99/04/48/624990448.db2.gz IVLBCZZYAUBVQL-UHFFFAOYSA-N 1 1 279.355 3.356 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCCC(C)(C)C2)c1O ZINC000070259427 624990474 /nfs/dbraw/zinc/99/04/74/624990474.db2.gz IVLBCZZYAUBVQL-UHFFFAOYSA-N 1 1 279.355 3.356 20 10 CGCDMO Cc1nc(C[NH2+]Cc2ccc3c(c2)CCCO3)sc1C ZINC000921802906 625880827 /nfs/dbraw/zinc/88/08/27/625880827.db2.gz FNBISYRBNHSGJH-UHFFFAOYSA-N 1 1 288.416 3.375 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2)c1 ZINC000756355869 625899133 /nfs/dbraw/zinc/89/91/33/625899133.db2.gz XGAQCHIDAPQLHJ-LBPRGKRZSA-N 1 1 285.343 3.030 20 10 CGCDMO CCOC[C@@H]1CCCC[N@H+]1Cc1cc(OCC)ccc1O ZINC000839170621 626325222 /nfs/dbraw/zinc/32/52/22/626325222.db2.gz PTNKQKZVWLSMGO-HNNXBMFYSA-N 1 1 293.407 3.182 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)C2CC(C)(C)C2)c1 ZINC000839185263 626327395 /nfs/dbraw/zinc/32/73/95/626327395.db2.gz REMFDPRFDKFEQY-UHFFFAOYSA-N 1 1 263.381 3.411 20 10 CGCDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000751945175 626412830 /nfs/dbraw/zinc/41/28/30/626412830.db2.gz YHIGYJPDTDKMRN-NWDGAFQWSA-N 1 1 256.349 3.171 20 10 CGCDMO C[C@@H]1C[C@@H]1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000754099167 626475563 /nfs/dbraw/zinc/47/55/63/626475563.db2.gz BTTIVVDXDSOQJX-FVQBIDKESA-N 1 1 275.392 3.029 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2ccc(F)cc2C)c1O ZINC000754155492 626561431 /nfs/dbraw/zinc/56/14/31/626561431.db2.gz XFQKWWDEFSGSRE-UHFFFAOYSA-N 1 1 289.350 3.480 20 10 CGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000756079049 626675077 /nfs/dbraw/zinc/67/50/77/626675077.db2.gz FYVZHWHBWDFSAP-KRWDZBQOSA-N 1 1 276.424 3.142 20 10 CGCDMO C[C@H]([NH2+]C[C@H](C)N1CCCC[C@@H]1C)c1ccc(F)cc1O ZINC000756413079 626703331 /nfs/dbraw/zinc/70/33/31/626703331.db2.gz XLIADZQXDMGICS-IHRRRGAJSA-N 1 1 294.414 3.445 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccccn2)c(O)c1 ZINC000757876283 626811819 /nfs/dbraw/zinc/81/18/19/626811819.db2.gz PZUOOIPDRWKRQJ-ZDUSSCGKSA-N 1 1 286.375 3.379 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000758061591 626824918 /nfs/dbraw/zinc/82/49/18/626824918.db2.gz AGKMRQNCRBBBBH-KRWDZBQOSA-N 1 1 275.392 3.173 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)CC1(C)C ZINC000761225769 627027007 /nfs/dbraw/zinc/02/70/07/627027007.db2.gz LNZZOMUVIVNOJX-NSHDSACASA-N 1 1 251.345 3.399 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCCCC[C@@H]2C)cc1OC ZINC000768448746 627480603 /nfs/dbraw/zinc/48/06/03/627480603.db2.gz WZINAIRSCPVYLO-LBPRGKRZSA-N 1 1 279.380 3.174 20 10 CGCDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000768464952 627481490 /nfs/dbraw/zinc/48/14/90/627481490.db2.gz CWPYOVNPOXOQGR-YPMHNXCESA-N 1 1 279.380 3.030 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000768879800 627505927 /nfs/dbraw/zinc/50/59/27/627505927.db2.gz YFMAGFCFDKOXCL-CYBMUJFWSA-N 1 1 288.347 3.034 20 10 CGCDMO COc1cccc(C[N@H+]2CCc3c(C)cccc3C2)c1O ZINC000769338575 627543471 /nfs/dbraw/zinc/54/34/71/627543471.db2.gz KXHXUQDIJNPUDU-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@]3(CCCOC3)C2)c1 ZINC000769485174 627559558 /nfs/dbraw/zinc/55/95/58/627559558.db2.gz LPHWCFPLSVWYHF-KRWDZBQOSA-N 1 1 275.392 3.093 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](C(C)C)C2)c1 ZINC000770305727 627612362 /nfs/dbraw/zinc/61/23/62/627612362.db2.gz JTQLKPBKOHGPIV-ZDUSSCGKSA-N 1 1 263.381 3.269 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCSC[C@@H]2C)cc1 ZINC000773754300 627911677 /nfs/dbraw/zinc/91/16/77/627911677.db2.gz QNLNWYAKRMMPPW-ZDUSSCGKSA-N 1 1 264.438 3.080 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](CC)C[C@@H]2CCCO2)cc1 ZINC000773758198 627912524 /nfs/dbraw/zinc/91/25/24/627912524.db2.gz XLRCJSVLLJHKAZ-KRWDZBQOSA-N 1 1 276.424 3.144 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCO[C@@](C)(CC)C2)cc1 ZINC000773887799 627924859 /nfs/dbraw/zinc/92/48/59/627924859.db2.gz HOTXECMYNDJGRG-KRWDZBQOSA-N 1 1 276.424 3.144 20 10 CGCDMO C[C@@H]([NH2+]CCN1CCCC(C)(C)C1)c1ccc(F)cc1O ZINC000774485827 627997667 /nfs/dbraw/zinc/99/76/67/627997667.db2.gz GNTVDYFKYAQMBX-CYBMUJFWSA-N 1 1 294.414 3.304 20 10 CGCDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2cccc(C)c2O)on1 ZINC000775655575 628120485 /nfs/dbraw/zinc/12/04/85/628120485.db2.gz GVGACHIBBIZAFT-AWEZNQCLSA-N 1 1 272.348 3.334 20 10 CGCDMO Cc1cccc(C[N@H+]2CCc3cccc(F)c3C2)c1O ZINC000775701782 628127461 /nfs/dbraw/zinc/12/74/61/628127461.db2.gz XDNPQSDBGNHSEQ-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cccc(C)c2O)C1(C)C ZINC000775715073 628128076 /nfs/dbraw/zinc/12/80/76/628128076.db2.gz BHFBLFNGKOUKOE-GJZGRUSLSA-N 1 1 277.408 3.336 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)cc1C ZINC000783539361 628723291 /nfs/dbraw/zinc/72/32/91/628723291.db2.gz BPUSRZIZVQMGQL-IHRRRGAJSA-N 1 1 263.381 3.007 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)c1 ZINC000783544943 628723597 /nfs/dbraw/zinc/72/35/97/628723597.db2.gz RWRYBOJCRXDSSP-BFHYXJOUSA-N 1 1 263.381 3.007 20 10 CGCDMO OCC[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C1CCC1 ZINC000784671825 628828780 /nfs/dbraw/zinc/82/87/80/628828780.db2.gz KXONCWRQMMHHRG-UHFFFAOYSA-N 1 1 297.398 3.406 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)C2(C)CCCC2)cc1OC ZINC000787337662 629009375 /nfs/dbraw/zinc/00/93/75/629009375.db2.gz OJBIRTACXKRZQQ-UHFFFAOYSA-N 1 1 279.380 3.174 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)CCC2 ZINC000789510662 629141810 /nfs/dbraw/zinc/14/18/10/629141810.db2.gz BVZHEBBTPLWQNC-AEFFLSMTSA-N 1 1 287.403 3.024 20 10 CGCDMO CSCC[C@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790967873 629241514 /nfs/dbraw/zinc/24/15/14/629241514.db2.gz AESXIKWMXAVQOV-QMMMGPOBSA-N 1 1 277.792 3.416 20 10 CGCDMO CC1(C)C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@@H]1O ZINC000790937204 629242063 /nfs/dbraw/zinc/24/20/63/629242063.db2.gz IBZDHTZWANCVQZ-SFHVURJKSA-N 1 1 297.398 3.262 20 10 CGCDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000790934632 629242229 /nfs/dbraw/zinc/24/22/29/629242229.db2.gz PVOABYWPTTUSLX-BXUZGUMPSA-N 1 1 283.799 3.171 20 10 CGCDMO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790970443 629244064 /nfs/dbraw/zinc/24/40/64/629244064.db2.gz JDIFKRSORWOTJU-ZJUUUORDSA-N 1 1 289.778 3.071 20 10 CGCDMO C[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)c1ccncc1 ZINC000790974273 629244862 /nfs/dbraw/zinc/24/48/62/629244862.db2.gz QSQIBKZYYSCMDK-JTQLQIEISA-N 1 1 294.757 3.473 20 10 CGCDMO CN(C)c1ccc(C[N@H+](C)Cc2cnc(C3CC3)o2)cc1 ZINC000862210197 629323023 /nfs/dbraw/zinc/32/30/23/629323023.db2.gz CMLGWKQJFZUSJH-UHFFFAOYSA-N 1 1 285.391 3.250 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cnc(C3CC3)o2)cc1 ZINC000862210197 629323029 /nfs/dbraw/zinc/32/30/29/629323029.db2.gz CMLGWKQJFZUSJH-UHFFFAOYSA-N 1 1 285.391 3.250 20 10 CGCDMO CC[N@@H+](Cc1c(O)cccc1Br)C1CC1 ZINC000862220975 629325437 /nfs/dbraw/zinc/32/54/37/629325437.db2.gz OXZSJNVYLOCUOB-UHFFFAOYSA-N 1 1 270.170 3.139 20 10 CGCDMO CCC[N@@H+](Cc1cnc(C)o1)Cc1ccccc1O ZINC000862237434 629329112 /nfs/dbraw/zinc/32/91/12/629329112.db2.gz OWYGNIQEFZVPMO-UHFFFAOYSA-N 1 1 260.337 3.101 20 10 CGCDMO CC[N@H+](Cc1c(O)cccc1Br)CC1CC1 ZINC000862244115 629329548 /nfs/dbraw/zinc/32/95/48/629329548.db2.gz WCRHHAMAYHZVQM-UHFFFAOYSA-N 1 1 284.197 3.387 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2ccn(CC)c2)c1 ZINC000792184690 629345392 /nfs/dbraw/zinc/34/53/92/629345392.db2.gz XNIYALLSSYUUAO-UHFFFAOYSA-N 1 1 288.391 3.244 20 10 CGCDMO CC[C@H]1CC[N@H+]1Cc1c(O)cccc1Br ZINC000862377245 629357206 /nfs/dbraw/zinc/35/72/06/629357206.db2.gz OKDFJBQSZLJKCV-VIFPVBQESA-N 1 1 270.170 3.139 20 10 CGCDMO CCOc1cccc(C[N@@H+]2Cc3cccc(OC)c3C2)c1O ZINC000862528822 629391133 /nfs/dbraw/zinc/39/11/33/629391133.db2.gz CUYYJAJHCPYYSH-UHFFFAOYSA-N 1 1 299.370 3.315 20 10 CGCDMO CCOc1cccc(C[N@H+]2Cc3cccc(OC)c3C2)c1O ZINC000862528822 629391137 /nfs/dbraw/zinc/39/11/37/629391137.db2.gz CUYYJAJHCPYYSH-UHFFFAOYSA-N 1 1 299.370 3.315 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)c1O ZINC000862540845 629395945 /nfs/dbraw/zinc/39/59/45/629395945.db2.gz KZOAFZWXARSUKG-AWEZNQCLSA-N 1 1 299.370 3.096 20 10 CGCDMO CCOC(=O)C[N@H+](Cc1c(O)ccc2ccccc21)C1CC1 ZINC000102392711 634739472 /nfs/dbraw/zinc/73/94/72/634739472.db2.gz FPGYTGOZCWJCQB-UHFFFAOYSA-N 1 1 299.370 3.073 20 10 CGCDMO CCOC(=O)C[N@@H+](Cc1c(O)ccc2ccccc21)C1CC1 ZINC000102392711 634739477 /nfs/dbraw/zinc/73/94/77/634739477.db2.gz FPGYTGOZCWJCQB-UHFFFAOYSA-N 1 1 299.370 3.073 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](CSC)C2)c1O ZINC000793796412 629502180 /nfs/dbraw/zinc/50/21/80/629502180.db2.gz LFNPNEIOSLTKHL-CYBMUJFWSA-N 1 1 295.448 3.284 20 10 CGCDMO COc1ccccc1CCC[N@H+](C)c1ccc(N)cc1 ZINC000863558519 629605907 /nfs/dbraw/zinc/60/59/07/629605907.db2.gz MCSSPFBDZGRWAZ-UHFFFAOYSA-N 1 1 270.376 3.346 20 10 CGCDMO COc1ccccc1CCC[N@@H+](C)c1ccc(N)cc1 ZINC000863558519 629605911 /nfs/dbraw/zinc/60/59/11/629605911.db2.gz MCSSPFBDZGRWAZ-UHFFFAOYSA-N 1 1 270.376 3.346 20 10 CGCDMO CC[C@H](C[NH2+][C@@H](CC)c1ccc(F)cc1O)N1CCCC1 ZINC000796695193 629816415 /nfs/dbraw/zinc/81/64/15/629816415.db2.gz MPUAFVZLXAUGEM-ZBFHGGJFSA-N 1 1 294.414 3.446 20 10 CGCDMO CCC(CC)[C@@H](O)C[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000796758310 629827608 /nfs/dbraw/zinc/82/76/08/629827608.db2.gz FSMAEPZHHRXGMC-ZBFHGGJFSA-N 1 1 283.387 3.369 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H]1CCCCN1CC)c1ccc(F)cc1O ZINC000796764546 629829277 /nfs/dbraw/zinc/82/92/77/629829277.db2.gz VEMPKUJNUIMXLB-GOEBONIOSA-N 1 1 294.414 3.446 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1C[C@H](OC)C1(C)C)c1ccc(F)cc1O ZINC000796794886 629835964 /nfs/dbraw/zinc/83/59/64/629835964.db2.gz XVZGMDNNPACNQH-CFVMTHIKSA-N 1 1 281.371 3.386 20 10 CGCDMO CC[C@@H]([NH2+]CC1(CCO)CCC1)c1ccc(F)cc1O ZINC000796835316 629844491 /nfs/dbraw/zinc/84/44/91/629844491.db2.gz KTSQWQWTMLIGFE-CQSZACIVSA-N 1 1 281.371 3.125 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC[C@H](c3ccccn3)C2)c(O)c1 ZINC000798965585 630132372 /nfs/dbraw/zinc/13/23/72/630132372.db2.gz UWMMEZIWGNJLNO-AWEZNQCLSA-N 1 1 298.386 3.175 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c(O)cc1C ZINC000799156594 630150300 /nfs/dbraw/zinc/15/03/00/630150300.db2.gz VXAGVPFCXPTGBR-CQSZACIVSA-N 1 1 298.386 3.094 20 10 CGCDMO CSCCC[N@@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000799159026 630151234 /nfs/dbraw/zinc/15/12/34/630151234.db2.gz AZTUOYDGCFTXHI-UHFFFAOYSA-N 1 1 279.449 3.456 20 10 CGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)OCCC ZINC000801596662 630346927 /nfs/dbraw/zinc/34/69/27/630346927.db2.gz JBKSEUOHGCXMQM-AWEZNQCLSA-N 1 1 293.407 3.336 20 10 CGCDMO CCc1nc(NCCCSc2nccs2)cc(C)[nH+]1 ZINC000804452473 630528160 /nfs/dbraw/zinc/52/81/60/630528160.db2.gz HXPUUERKOCARDF-UHFFFAOYSA-N 1 1 294.449 3.398 20 10 CGCDMO CC[C@H]1CN(C)CC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000840092590 630589641 /nfs/dbraw/zinc/58/96/41/630589641.db2.gz BRQQLQMSWJZLHL-HNNXBMFYSA-N 1 1 284.403 3.071 20 10 CGCDMO CCCC[N@H+](C)C[C@H](C)NCc1ccc(OCC)cc1O ZINC000808454962 630646809 /nfs/dbraw/zinc/64/68/09/630646809.db2.gz RUKBRGRGHYIKJB-AWEZNQCLSA-N 1 1 294.439 3.001 20 10 CGCDMO CCCC[N@@H+](C)C[C@H](C)NCc1ccc(OCC)cc1O ZINC000808454962 630646811 /nfs/dbraw/zinc/64/68/11/630646811.db2.gz RUKBRGRGHYIKJB-AWEZNQCLSA-N 1 1 294.439 3.001 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)c1[O-] ZINC000808690993 630664591 /nfs/dbraw/zinc/66/45/91/630664591.db2.gz HRZGLKRBBZDTPF-LBPRGKRZSA-N 1 1 296.842 3.346 20 10 CGCDMO CCC[N@@H+](CCN1CCCC1)Cc1cc(Cl)ccc1O ZINC000809700514 630785363 /nfs/dbraw/zinc/78/53/63/630785363.db2.gz IJJRIBBJQLGARW-UHFFFAOYSA-N 1 1 296.842 3.353 20 10 CGCDMO CCCN(CC[NH+]1CCCC1)Cc1cc(Cl)ccc1O ZINC000809700514 630785368 /nfs/dbraw/zinc/78/53/68/630785368.db2.gz IJJRIBBJQLGARW-UHFFFAOYSA-N 1 1 296.842 3.353 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000809728566 630793466 /nfs/dbraw/zinc/79/34/66/630793466.db2.gz BRUDWMMKQZQOTL-HNNXBMFYSA-N 1 1 254.333 3.124 20 10 CGCDMO CC(C)C[C@H](CO)[N@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000809767568 630801947 /nfs/dbraw/zinc/80/19/47/630801947.db2.gz OHWIFJYLSSDZKD-SNVBAGLBSA-N 1 1 289.778 3.024 20 10 CGCDMO CC(C)C[C@H](CO)[N@@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000809767568 630801950 /nfs/dbraw/zinc/80/19/50/630801950.db2.gz OHWIFJYLSSDZKD-SNVBAGLBSA-N 1 1 289.778 3.024 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)[C@@H](CC)CSC)c(O)c1 ZINC000809767016 630802378 /nfs/dbraw/zinc/80/23/78/630802378.db2.gz FDCUYYBWGGDDAJ-ZDUSSCGKSA-N 1 1 283.437 3.364 20 10 CGCDMO CC[N@@H+](Cc1c(O)ccc(Cl)c1F)C[C@H](C)OC ZINC000812807981 631316576 /nfs/dbraw/zinc/31/65/76/631316576.db2.gz NQMKXVKMADDYOH-VIFPVBQESA-N 1 1 275.751 3.042 20 10 CGCDMO CC[N@H+](Cc1c(O)ccc(Cl)c1F)C[C@H](C)OC ZINC000812807981 631316581 /nfs/dbraw/zinc/31/65/81/631316581.db2.gz NQMKXVKMADDYOH-VIFPVBQESA-N 1 1 275.751 3.042 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCn2cccc2[C@@H]1C ZINC000876531417 634852033 /nfs/dbraw/zinc/85/20/33/634852033.db2.gz FRHVLPMPIAODOM-ZDUSSCGKSA-N 1 1 256.349 3.079 20 10 CGCDMO C[C@H](C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)CN(C)C ZINC000813877191 631475402 /nfs/dbraw/zinc/47/54/02/631475402.db2.gz NQXZHCKTENQFDJ-KGLIPLIRSA-N 1 1 290.451 3.119 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@H](O)C(C)C ZINC000814635790 631615410 /nfs/dbraw/zinc/61/54/10/631615410.db2.gz NSRWHWOGMUNLCN-INIZCTEOSA-N 1 1 265.397 3.011 20 10 CGCDMO Cc1cc(C[N@H+]2CCOc3ccccc3C2)ccc1N(C)C ZINC000815021028 631705453 /nfs/dbraw/zinc/70/54/53/631705453.db2.gz AXLKKEGBAVFFQS-UHFFFAOYSA-N 1 1 296.414 3.456 20 10 CGCDMO CO[C@H](C)C[N@H+](Cc1cc(Cl)c(F)cc1O)C(C)C ZINC000816515371 632000910 /nfs/dbraw/zinc/00/09/10/632000910.db2.gz XXJHHZPRAXNLAF-SNVBAGLBSA-N 1 1 289.778 3.430 20 10 CGCDMO CO[C@H](C)C[N@@H+](Cc1cc(Cl)c(F)cc1O)C(C)C ZINC000816515371 632000918 /nfs/dbraw/zinc/00/09/18/632000918.db2.gz XXJHHZPRAXNLAF-SNVBAGLBSA-N 1 1 289.778 3.430 20 10 CGCDMO C[N@@H+](CCOCC1CC1)Cc1ccc2ccccc2c1O ZINC000816517551 632002045 /nfs/dbraw/zinc/00/20/45/632002045.db2.gz UQTCDOWYSNODOQ-UHFFFAOYSA-N 1 1 285.387 3.404 20 10 CGCDMO COC(C)(C)C[N@@H+](C)Cc1ccc2ccccc2c1O ZINC000816520296 632002785 /nfs/dbraw/zinc/00/27/85/632002785.db2.gz LMLZSHVMOJSNJM-UHFFFAOYSA-N 1 1 273.376 3.402 20 10 CGCDMO CO[C@]1(C)CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816595066 632019327 /nfs/dbraw/zinc/01/93/27/632019327.db2.gz YDOPYARTXHNSTL-CQSZACIVSA-N 1 1 287.762 3.186 20 10 CGCDMO CO[C@]1(C)CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816595066 632019330 /nfs/dbraw/zinc/01/93/30/632019330.db2.gz YDOPYARTXHNSTL-CQSZACIVSA-N 1 1 287.762 3.186 20 10 CGCDMO CC[C@@H]1C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000817415659 632146246 /nfs/dbraw/zinc/14/62/46/632146246.db2.gz WIBITRNOMNFKPP-NXEZZACHSA-N 1 1 287.762 3.232 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CCO)CC2)c1O ZINC000817418728 632146279 /nfs/dbraw/zinc/14/62/79/632146279.db2.gz DDNCWCHJSQIRPW-CYBMUJFWSA-N 1 1 297.826 3.339 20 10 CGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c1[O-] ZINC000817968206 632261590 /nfs/dbraw/zinc/26/15/90/632261590.db2.gz HKBWCYCPARRTRK-DGCLKSJQSA-N 1 1 282.815 3.147 20 10 CGCDMO CC(C)n1cncc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000822438633 632926656 /nfs/dbraw/zinc/92/66/56/632926656.db2.gz LJZIJZKSZNMMEG-UHFFFAOYSA-N 1 1 286.423 3.162 20 10 CGCDMO CC[C@@](C)(C[NH2+]Cc1c(O)ccc(Cl)c1F)OC ZINC000824744095 633281876 /nfs/dbraw/zinc/28/18/76/633281876.db2.gz ZNCCCMKXFZKGSR-ZDUSSCGKSA-N 1 1 275.751 3.089 20 10 CGCDMO CC1(C)CC[N@H+]1Cc1ccc(Br)cc1O ZINC000824826372 633296393 /nfs/dbraw/zinc/29/63/93/633296393.db2.gz ZAZUYBVGOHABND-UHFFFAOYSA-N 1 1 270.170 3.139 20 10 CGCDMO COc1cccc2c1C[N@@H+](Cc1cc(F)ccc1O)CC2 ZINC000824982242 633314034 /nfs/dbraw/zinc/31/40/34/633314034.db2.gz CWSZNGXXIADORT-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000825005404 633316896 /nfs/dbraw/zinc/31/68/96/633316896.db2.gz JTKZIMZRDBGSHF-ZDUSSCGKSA-N 1 1 273.380 3.071 20 10 CGCDMO COCC[N@@H+](Cc1c(C)cccc1O)C1CCCC1 ZINC000876599902 634865856 /nfs/dbraw/zinc/86/58/56/634865856.db2.gz CKHGKVANJUPITL-UHFFFAOYSA-N 1 1 263.381 3.092 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)cc1Cl ZINC000825731035 633377624 /nfs/dbraw/zinc/37/76/24/633377624.db2.gz CIZDJWWHHKTRLA-JSGCOSHPSA-N 1 1 297.826 3.479 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1Cl ZINC000825842610 633383484 /nfs/dbraw/zinc/38/34/84/633383484.db2.gz ASXQZSCHHBFUSZ-MRXNPFEDSA-N 1 1 295.810 3.357 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)c1O ZINC000827017470 633448957 /nfs/dbraw/zinc/44/89/57/633448957.db2.gz DXLPLHGTSRNFFI-IYBDPMFKSA-N 1 1 295.810 3.212 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)cc1 ZINC000827281021 633478612 /nfs/dbraw/zinc/47/86/12/633478612.db2.gz HVOOUMKCEGOQKM-SJLPKXTDSA-N 1 1 288.435 3.001 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000827376795 633486767 /nfs/dbraw/zinc/48/67/67/633486767.db2.gz HVKJFTZVQFDJDA-GUYCJALGSA-N 1 1 293.382 3.312 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000827377479 633487296 /nfs/dbraw/zinc/48/72/96/633487296.db2.gz ZCUYHKJFTINDGH-YJBOKZPZSA-N 1 1 289.419 3.482 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)CC1=CCSC1 ZINC000827812281 633520158 /nfs/dbraw/zinc/52/01/58/633520158.db2.gz IFVSIEOPEOHMEV-UHFFFAOYSA-N 1 1 276.449 3.166 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCCc3n[nH]cc3C2)c(Cl)c1 ZINC000828008913 633548312 /nfs/dbraw/zinc/54/83/12/633548312.db2.gz GGWSJGHDVYWRES-UHFFFAOYSA-N 1 1 291.782 3.026 20 10 CGCDMO Cc1cnc(CC[N@H+](C)Cc2ccccc2O)c(C)c1 ZINC000828062455 633555719 /nfs/dbraw/zinc/55/57/19/633555719.db2.gz JLRJAOIOOMTZEP-UHFFFAOYSA-N 1 1 270.376 3.079 20 10 CGCDMO Cc1cc(C)c([C@H](C)[NH2+]Cc2nn(C)cc2Cl)c(O)c1 ZINC000834883668 634265214 /nfs/dbraw/zinc/26/52/14/634265214.db2.gz SZTZAADZGMAGSW-NSHDSACASA-N 1 1 293.798 3.247 20 10 CGCDMO CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000873223577 634291041 /nfs/dbraw/zinc/29/10/41/634291041.db2.gz OCPRNLQCFKLGDR-MRXNPFEDSA-N 1 1 296.842 3.243 20 10 CGCDMO CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000873223577 634291047 /nfs/dbraw/zinc/29/10/47/634291047.db2.gz OCPRNLQCFKLGDR-MRXNPFEDSA-N 1 1 296.842 3.243 20 10 CGCDMO CC[NH+](CC)[C@H](C)CNC/C=C\c1ccc(N(C)C)cc1 ZINC000835035156 634326937 /nfs/dbraw/zinc/32/69/37/634326937.db2.gz GDTYNFMPYGAQNN-HLRDLLSLSA-N 1 1 289.467 3.086 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)[C@H]2CC[C@H](O)CC2)cc1 ZINC000835045016 634332469 /nfs/dbraw/zinc/33/24/69/634332469.db2.gz HQFYXKZGCDQBFE-IXFYRXCXSA-N 1 1 288.435 3.001 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@H](OC(F)F)C2)cc1 ZINC000835050737 634336053 /nfs/dbraw/zinc/33/60/53/634336053.db2.gz WUCXJVYSTKSPKC-JZIMQPMSSA-N 1 1 296.361 3.079 20 10 CGCDMO Cc1ncsc1C[N@H+](C)Cc1ccc(C)cc1O ZINC000876688680 634880968 /nfs/dbraw/zinc/88/09/68/634880968.db2.gz VHLUNGXBAPXOCJ-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876897195 634923347 /nfs/dbraw/zinc/92/33/47/634923347.db2.gz QXGVTQMLPOOSAP-GFCCVEGCSA-N 1 1 298.377 3.025 20 10 CGCDMO Cc1ccc(C[N@H+](C)[C@@H](C)c2ccncc2)c(O)c1 ZINC000877317358 635024643 /nfs/dbraw/zinc/02/46/43/635024643.db2.gz KWLPQAFBTFHKST-ZDUSSCGKSA-N 1 1 256.349 3.289 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)c(O)c1 ZINC000877517344 635067221 /nfs/dbraw/zinc/06/72/21/635067221.db2.gz NGBYVTOKWDTZST-GOEBONIOSA-N 1 1 277.408 3.216 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c(Cl)c1 ZINC000840916228 635081582 /nfs/dbraw/zinc/08/15/82/635081582.db2.gz HXUGPPRGWJMQBT-QWHCGFSZSA-N 1 1 295.810 3.212 20 10 CGCDMO CC(C)OCC(C)(C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000840973268 635098013 /nfs/dbraw/zinc/09/80/13/635098013.db2.gz HMYCGCVGSQXXLL-UHFFFAOYSA-N 1 1 289.778 3.478 20 10 CGCDMO CCn1cc(C[N@@H+](Cc2ccc(C)cc2O)C(C)C)cn1 ZINC000877612041 635112157 /nfs/dbraw/zinc/11/21/57/635112157.db2.gz BLNMRCQEJPIJPM-UHFFFAOYSA-N 1 1 287.407 3.328 20 10 CGCDMO Cc1ccc(C)c(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000841040223 635112275 /nfs/dbraw/zinc/11/22/75/635112275.db2.gz IYFGTWOFVCIRAZ-IBGZPJMESA-N 1 1 297.446 3.159 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000877674887 635142896 /nfs/dbraw/zinc/14/28/96/635142896.db2.gz WKEFTADYIZTCKA-ROUUACIJSA-N 1 1 297.398 3.399 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000841745094 635222191 /nfs/dbraw/zinc/22/21/91/635222191.db2.gz NFKUIIUOAGJEEF-NEPJUHHUSA-N 1 1 294.826 3.181 20 10 CGCDMO C[C@H]([NH2+]CCc1cccnc1)c1ccc(Cl)cc1O ZINC000841744366 635222746 /nfs/dbraw/zinc/22/27/46/635222746.db2.gz HDPKOESLNAKKMH-NSHDSACASA-N 1 1 276.767 3.334 20 10 CGCDMO C[C@H](CC(C)(C)O)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841757690 635230993 /nfs/dbraw/zinc/23/09/93/635230993.db2.gz PFJRBQNMMFANCW-NXEZZACHSA-N 1 1 271.788 3.246 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H](CC)OC ZINC000842153423 635298773 /nfs/dbraw/zinc/29/87/73/635298773.db2.gz UGBBEZFRUGKTLT-CQSZACIVSA-N 1 1 251.370 3.029 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc2n(n1)CCCC2 ZINC000842837305 635490681 /nfs/dbraw/zinc/49/06/81/635490681.db2.gz ONNHEXVBFOLEHF-CYBMUJFWSA-N 1 1 297.402 3.005 20 10 CGCDMO Oc1c(Cl)cccc1CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000843047917 635548935 /nfs/dbraw/zinc/54/89/35/635548935.db2.gz BNINUFUVVSXUHN-CABCVRRESA-N 1 1 294.826 3.152 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cscn2)cc1 ZINC000127307132 635619386 /nfs/dbraw/zinc/61/93/86/635619386.db2.gz BCMPHTPADSRBGL-GFCCVEGCSA-N 1 1 275.421 3.450 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1C ZINC000121538422 635647235 /nfs/dbraw/zinc/64/72/35/635647235.db2.gz HIYFDOYGQUDYHW-CXAGYDPISA-N 1 1 299.418 3.289 20 10 CGCDMO CCN(C)c1ccc(C[N@H+](C)Cc2ccns2)cc1 ZINC000878899427 635653549 /nfs/dbraw/zinc/65/35/49/635653549.db2.gz JBZCRVCYUGIHDR-UHFFFAOYSA-N 1 1 275.421 3.231 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)Cc2ccns2)cc1 ZINC000878899427 635653556 /nfs/dbraw/zinc/65/35/56/635653556.db2.gz JBZCRVCYUGIHDR-UHFFFAOYSA-N 1 1 275.421 3.231 20 10 CGCDMO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000843427338 635671239 /nfs/dbraw/zinc/67/12/39/635671239.db2.gz LQNUNVDOIGNTKY-MWLCHTKSSA-N 1 1 289.778 3.071 20 10 CGCDMO CC(C)C[N@@H+](C)CCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000845995262 636127862 /nfs/dbraw/zinc/12/78/62/636127862.db2.gz AVCYLVYBFJRNNO-UHFFFAOYSA-N 1 1 284.831 3.113 20 10 CGCDMO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C2(CCC2)CO1 ZINC000846067552 636140452 /nfs/dbraw/zinc/14/04/52/636140452.db2.gz SVBZBAPUIKAFST-NSHDSACASA-N 1 1 281.783 3.189 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C2(CCC2)CO1 ZINC000846067552 636140456 /nfs/dbraw/zinc/14/04/56/636140456.db2.gz SVBZBAPUIKAFST-NSHDSACASA-N 1 1 281.783 3.189 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC000846117884 636146710 /nfs/dbraw/zinc/14/67/10/636146710.db2.gz SCSZMHWHBUQZFN-AWEZNQCLSA-N 1 1 283.318 3.022 20 10 CGCDMO C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882880316 636445206 /nfs/dbraw/zinc/44/52/06/636445206.db2.gz MEZKGZBMTNPNTJ-LBPRGKRZSA-N 1 1 298.377 3.025 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000883077318 636530931 /nfs/dbraw/zinc/53/09/31/636530931.db2.gz GADASKXITSSOFW-HNNXBMFYSA-N 1 1 290.313 3.306 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000883077319 636531418 /nfs/dbraw/zinc/53/14/18/636531418.db2.gz GADASKXITSSOFW-OAHLLOKOSA-N 1 1 290.313 3.306 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000883195921 636578624 /nfs/dbraw/zinc/57/86/24/636578624.db2.gz FZZUXGLUXJFIDR-LSDHHAIUSA-N 1 1 297.345 3.108 20 10 CGCDMO C[C@@H]([NH2+]C1(c2ncccn2)CCC1)c1ccc(N(C)C)cc1 ZINC000883314270 636664500 /nfs/dbraw/zinc/66/45/00/636664500.db2.gz ZUXAGECYIHOYFF-CQSZACIVSA-N 1 1 296.418 3.273 20 10 CGCDMO CCc1cccc(C[N@@H+]2CCC[C@@H](N3CCCC3)C2)c1O ZINC000848881355 636670882 /nfs/dbraw/zinc/67/08/82/636670882.db2.gz GUZUVWUODOZKPF-QGZVFWFLSA-N 1 1 288.435 3.015 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@H](N3CCCC3)C2)c1O ZINC000848881355 636670884 /nfs/dbraw/zinc/67/08/84/636670884.db2.gz GUZUVWUODOZKPF-QGZVFWFLSA-N 1 1 288.435 3.015 20 10 CGCDMO CCc1cccc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)c1O ZINC000848888601 636676013 /nfs/dbraw/zinc/67/60/13/636676013.db2.gz XLABKCCHPMIBLD-KRWDZBQOSA-N 1 1 290.451 3.261 20 10 CGCDMO CCc1cccc(CN(C)CC[C@@H]2CCCC[N@H+]2C)c1O ZINC000848888601 636676018 /nfs/dbraw/zinc/67/60/18/636676018.db2.gz XLABKCCHPMIBLD-KRWDZBQOSA-N 1 1 290.451 3.261 20 10 CGCDMO CCc1cccc(C[N@@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)c1O ZINC000848888157 636676500 /nfs/dbraw/zinc/67/65/00/636676500.db2.gz NOHDNERIJXNLDD-YOEHRIQHSA-N 1 1 290.451 3.259 20 10 CGCDMO CCc1cccc(C[N@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)c1O ZINC000848888157 636676502 /nfs/dbraw/zinc/67/65/02/636676502.db2.gz NOHDNERIJXNLDD-YOEHRIQHSA-N 1 1 290.451 3.259 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1O ZINC000848919218 636691357 /nfs/dbraw/zinc/69/13/57/636691357.db2.gz IBJRURLGYXWNEZ-DLBZAZTESA-N 1 1 289.419 3.346 20 10 CGCDMO CCc1cccc(C[N@H+]2Cc3ccc(OC)cc3C2)c1O ZINC000848925750 636698166 /nfs/dbraw/zinc/69/81/66/636698166.db2.gz JBMTUXAVBSRLTM-UHFFFAOYSA-N 1 1 283.371 3.479 20 10 CGCDMO CCOc1cccc(C[N@@H+](CC)CC(C)C)c1O ZINC000132042116 636776700 /nfs/dbraw/zinc/77/67/00/636776700.db2.gz XQXXMYPGHKDECO-UHFFFAOYSA-N 1 1 251.370 3.269 20 10 CGCDMO C[C@@H]1CCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000132649179 636827727 /nfs/dbraw/zinc/82/77/27/636827727.db2.gz SJSVWOOFBHLGRF-SECBINFHSA-N 1 1 270.170 3.139 20 10 CGCDMO C[C@@H]1CCC[N@@H+]1Cc1cccc(Br)c1O ZINC000132649179 636827732 /nfs/dbraw/zinc/82/77/32/636827732.db2.gz SJSVWOOFBHLGRF-SECBINFHSA-N 1 1 270.170 3.139 20 10 CGCDMO C[C@@H]1CCC[N@H+]1Cc1cccc(Br)c1O ZINC000132649179 636827736 /nfs/dbraw/zinc/82/77/36/636827736.db2.gz SJSVWOOFBHLGRF-SECBINFHSA-N 1 1 270.170 3.139 20 10 CGCDMO CC[N@@H+](Cc1cc(Br)ccc1O)C1CC1 ZINC000133287716 636890844 /nfs/dbraw/zinc/89/08/44/636890844.db2.gz YLWCDOMEMWGKOM-UHFFFAOYSA-N 1 1 270.170 3.139 20 10 CGCDMO Cc1cc(O)c(CN[C@H]2CC[N@@H+](C(C)(C)C)C2)c(Cl)c1 ZINC000850351227 637023997 /nfs/dbraw/zinc/02/39/97/637023997.db2.gz LMVRYYBICUGIKK-LBPRGKRZSA-N 1 1 296.842 3.316 20 10 CGCDMO Cc1cc(O)c(CN[C@H]2CC[N@H+](C(C)(C)C)C2)c(Cl)c1 ZINC000850351227 637024002 /nfs/dbraw/zinc/02/40/02/637024002.db2.gz LMVRYYBICUGIKK-LBPRGKRZSA-N 1 1 296.842 3.316 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000884482708 637040823 /nfs/dbraw/zinc/04/08/23/637040823.db2.gz GSJCFEXGQLQWOP-GDBMZVCRSA-N 1 1 275.392 3.010 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@]2(C)CC2(C)C)c1 ZINC000850556177 637119807 /nfs/dbraw/zinc/11/98/07/637119807.db2.gz QEQHAQOEVLXYQZ-QFYYESIMSA-N 1 1 277.364 3.018 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C)C[C@@H]2C)c1O ZINC000135821861 637188822 /nfs/dbraw/zinc/18/88/22/637188822.db2.gz LOLLSWCHSACFCW-UWVGGRQHSA-N 1 1 281.783 3.479 20 10 CGCDMO C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)Cc1ccccc1O ZINC000109771510 637267985 /nfs/dbraw/zinc/26/79/85/637267985.db2.gz RFLVZFQAMSTFIL-RHSMWYFYSA-N 1 1 277.408 3.419 20 10 CGCDMO C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1c(O)cccc1F ZINC000886508581 637545857 /nfs/dbraw/zinc/54/58/57/637545857.db2.gz FNZVIUSJRUPNHP-ZUZCIYMTSA-N 1 1 293.313 3.055 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1c(O)cccc1F ZINC000886520624 637551325 /nfs/dbraw/zinc/55/13/25/637551325.db2.gz IOQIYRUUFRNLLO-LLVKDONJSA-N 1 1 287.334 3.317 20 10 CGCDMO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1c(O)cccc1F ZINC000886531217 637555932 /nfs/dbraw/zinc/55/59/32/637555932.db2.gz YCWXPYROKYYEIF-BMIGLBTASA-N 1 1 295.379 3.151 20 10 CGCDMO C[C@@H]([NH2+]CC1(CCO)CCCC1)c1c(O)cccc1F ZINC000886535314 637559622 /nfs/dbraw/zinc/55/96/22/637559622.db2.gz YGUORUWOUCLQFY-GFCCVEGCSA-N 1 1 281.371 3.125 20 10 CGCDMO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886543153 637569645 /nfs/dbraw/zinc/56/96/45/637569645.db2.gz LGWLGUYWSNKTKV-JTNHKYCSSA-N 1 1 293.338 3.287 20 10 CGCDMO CCC1(O)CCC([NH2+][C@H](C)c2c(O)cccc2F)CC1 ZINC000886543823 637571117 /nfs/dbraw/zinc/57/11/17/637571117.db2.gz VVKOOBKGWFKPSH-OPGSHWCFSA-N 1 1 281.371 3.266 20 10 CGCDMO C[C@@H]([NH2+]C1CCSCC1)c1c(O)cccc1F ZINC000886545502 637573010 /nfs/dbraw/zinc/57/30/10/637573010.db2.gz MYCRCHXYYNCVLP-SECBINFHSA-N 1 1 255.358 3.078 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1c(O)cccc1F ZINC000886594248 637597313 /nfs/dbraw/zinc/59/73/13/637597313.db2.gz ISUOQAWRMUVCRN-QWRGUYRKSA-N 1 1 267.344 3.140 20 10 CGCDMO CCSCCC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886606841 637601731 /nfs/dbraw/zinc/60/17/31/637601731.db2.gz HGAOQVTUNMVGTC-JTQLQIEISA-N 1 1 257.374 3.325 20 10 CGCDMO CCc1noc(C)c1C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886614357 637607103 /nfs/dbraw/zinc/60/71/03/637607103.db2.gz UVPZMGUJPKKIJE-SECBINFHSA-N 1 1 278.327 3.241 20 10 CGCDMO CC[C@H](C)[C@H](C[NH2+][C@@H](C)c1c(O)cccc1F)OC ZINC000886617480 637608145 /nfs/dbraw/zinc/60/81/45/637608145.db2.gz PIPUWRABLOCPLD-MJVIPROJSA-N 1 1 269.360 3.243 20 10 CGCDMO C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1c(O)cccc1F ZINC000886638496 637622688 /nfs/dbraw/zinc/62/26/88/637622688.db2.gz WARDXTGCRQJDCW-QPUJVOFHSA-N 1 1 259.271 3.227 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](CCF)C2)c1O ZINC000852533140 637673992 /nfs/dbraw/zinc/67/39/92/637673992.db2.gz PIAHODBBPVDMNH-GFCCVEGCSA-N 1 1 297.345 3.306 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2(C3CC3)CCC2)c1 ZINC000886825399 637709639 /nfs/dbraw/zinc/70/96/39/637709639.db2.gz RWMLCTJWYKYMDJ-LLVKDONJSA-N 1 1 289.375 3.162 20 10 CGCDMO Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1ccc(N(C)C)cc1 ZINC000924572773 638366082 /nfs/dbraw/zinc/36/60/82/638366082.db2.gz DRXQLAUDXWVXSS-OAHLLOKOSA-N 1 1 285.391 3.216 20 10 CGCDMO CN1CC[C@H]([NH2+]CCCSc2nccs2)CC1(C)C ZINC000858141339 638640904 /nfs/dbraw/zinc/64/09/04/638640904.db2.gz NNHHGIUKMCZLLJ-LBPRGKRZSA-N 1 1 299.509 3.088 20 10 CGCDMO Cc1c[nH]nc1C[NH2+]Cc1cc(C)n(-c2ccccc2)c1C ZINC000858294408 638673900 /nfs/dbraw/zinc/67/39/00/638673900.db2.gz YKOOWPPYQBILKA-UHFFFAOYSA-N 1 1 294.402 3.415 20 10 CGCDMO c1nc2c(s1)CCC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000858358865 638692106 /nfs/dbraw/zinc/69/21/06/638692106.db2.gz APYYIRCJDQWRCQ-CYBMUJFWSA-N 1 1 286.400 3.245 20 10 CGCDMO CC[C@H]([NH2+][C@@H](CO)CCC(C)C)c1ccc(F)cc1O ZINC000858485963 638737567 /nfs/dbraw/zinc/73/75/67/638737567.db2.gz QWDKLCVGNYBMBS-HIFRSBDPSA-N 1 1 283.387 3.369 20 10 CGCDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC000156040544 639962849 /nfs/dbraw/zinc/96/28/49/639962849.db2.gz IKRCNILHQMIHLP-CQSZACIVSA-N 1 1 285.387 3.464 20 10 CGCDMO C[N@@H+](Cc1cc(F)cc(F)c1)Cc1ccccc1O ZINC000091956468 640728131 /nfs/dbraw/zinc/72/81/31/640728131.db2.gz FQYZHBAMDOTTAF-UHFFFAOYSA-N 1 1 263.287 3.302 20 10 CGCDMO CC(C)[C@@H](CN[C@H](C)c1cc(F)ccc1O)[NH+]1CCCC1 ZINC000094616993 640798974 /nfs/dbraw/zinc/79/89/74/640798974.db2.gz IBENWGNNOZDNBN-CZUORRHYSA-N 1 1 294.414 3.302 20 10 CGCDMO CO[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CC[C@H]1C ZINC000249848149 640808999 /nfs/dbraw/zinc/80/89/99/640808999.db2.gz OUNYXWFBDMXBGU-FZKQIMNGSA-N 1 1 285.387 3.402 20 10 CGCDMO CC[N@H+](Cc1cc(C)c(C)cc1O)C[C@@H]1CCCO1 ZINC000098051747 640892839 /nfs/dbraw/zinc/89/28/39/640892839.db2.gz GHQIPMAWVHPHQV-HNNXBMFYSA-N 1 1 263.381 3.010 20 10 CGCDMO CC(C)c1cc(C[NH2+]Cc2c(O)cccc2Cl)on1 ZINC000114510150 641000490 /nfs/dbraw/zinc/00/04/90/641000490.db2.gz XPAYWSVZGAEQFH-UHFFFAOYSA-N 1 1 280.755 3.447 20 10 CGCDMO COc1ccc(C)[nH+]c1NCc1c(C)cc(C)cc1O ZINC001160809962 806306227 /nfs/dbraw/zinc/30/62/27/806306227.db2.gz GPXARIWMVDUQJO-UHFFFAOYSA-N 1 1 272.348 3.333 20 10 CGCDMO COc1ccc(C[N@@H+](C)CCc2cccs2)c(O)c1 ZINC000093685608 798965338 /nfs/dbraw/zinc/96/53/38/798965338.db2.gz NGERCPXEUYIUTN-UHFFFAOYSA-N 1 1 277.389 3.137 20 10 CGCDMO COc1ccc(C[N@H+]2CCc3cc(F)ccc3C2)c(O)c1 ZINC000181443239 799112343 /nfs/dbraw/zinc/11/23/43/799112343.db2.gz RESWLAUEYLEKMB-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO CCC[N@H+](Cc1cc(OC)ccc1O)CC(C)C ZINC000381445011 799379477 /nfs/dbraw/zinc/37/94/77/799379477.db2.gz NJYGCFATYPMEGF-UHFFFAOYSA-N 1 1 251.370 3.269 20 10 CGCDMO CC[C@]1(C)COCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000687973791 799743766 /nfs/dbraw/zinc/74/37/66/799743766.db2.gz MUPCHFOVNJKDIX-CQSZACIVSA-N 1 1 269.772 3.047 20 10 CGCDMO CC[C@]1(C)COCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000687973791 799743769 /nfs/dbraw/zinc/74/37/69/799743769.db2.gz MUPCHFOVNJKDIX-CQSZACIVSA-N 1 1 269.772 3.047 20 10 CGCDMO CCc1cccc(C[N@@H+](C[C@H](C)OC)C(C)C)c1O ZINC000688106185 799744140 /nfs/dbraw/zinc/74/41/40/799744140.db2.gz ODJLLZJHZJPQBG-ZDUSSCGKSA-N 1 1 265.397 3.200 20 10 CGCDMO C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1O)c1ccccn1 ZINC000692696332 799797049 /nfs/dbraw/zinc/79/70/49/799797049.db2.gz OXHHRVRVCDOVMM-VXGBXAGGSA-N 1 1 274.339 3.381 20 10 CGCDMO CS[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708553412 799992567 /nfs/dbraw/zinc/99/25/67/799992567.db2.gz BVVOFWMCSUHGFS-VXGBXAGGSA-N 1 1 287.375 3.434 20 10 CGCDMO C[N@@H+](CCC(F)(F)F)Cc1cc2c(cc1O)CCC2 ZINC001115890516 802283500 /nfs/dbraw/zinc/28/35/00/802283500.db2.gz LZZGIIZZLGARIO-UHFFFAOYSA-N 1 1 273.298 3.265 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)[C@@H](C)C1 ZINC001116908976 802427903 /nfs/dbraw/zinc/42/79/03/802427903.db2.gz MKWXFBOLPFWGNB-YJBOKZPZSA-N 1 1 288.435 3.286 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CC[C@@H](OC)C1)c1ccc(F)cc1O ZINC001117114009 802434140 /nfs/dbraw/zinc/43/41/40/802434140.db2.gz ZJWQLWXAAQVUBZ-SCRDCRAPSA-N 1 1 267.344 3.140 20 10 CGCDMO Oc1cccc2c1C[N@@H+](CCc1ccc(F)cc1F)C2 ZINC001119303673 802645820 /nfs/dbraw/zinc/64/58/20/802645820.db2.gz GTWMQTYFCHYUQV-UHFFFAOYSA-N 1 1 275.298 3.229 20 10 CGCDMO C[N@@H+](Cc1cncc(Cl)c1)Cc1ccccc1O ZINC001136996598 803669207 /nfs/dbraw/zinc/66/92/07/803669207.db2.gz RBRDCUKMVQTJDZ-UHFFFAOYSA-N 1 1 262.740 3.073 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1CCc2ccccc2C1 ZINC001137831851 803778099 /nfs/dbraw/zinc/77/80/99/803778099.db2.gz PYKSACQXJXTJGZ-UHFFFAOYSA-N 1 1 257.308 3.090 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1CCc2ccccc2C1 ZINC001137831851 803778103 /nfs/dbraw/zinc/77/81/03/803778103.db2.gz PYKSACQXJXTJGZ-UHFFFAOYSA-N 1 1 257.308 3.090 20 10 CGCDMO Cc1cc(C[N@H+]2CCCOCC2)c(C)n1-c1ccccc1 ZINC001137854145 803783979 /nfs/dbraw/zinc/78/39/79/803783979.db2.gz KDXMEYQFWIBBSN-UHFFFAOYSA-N 1 1 284.403 3.316 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@@](C)(O)C2)c(C)n1-c1ccccc1 ZINC001137856303 803786714 /nfs/dbraw/zinc/78/67/14/803786714.db2.gz YLAUUQBUAMTDFJ-GOSISDBHSA-N 1 1 284.403 3.051 20 10 CGCDMO Cc1c(C[N@H+]2CCC[C@@H]3C[C@@H]32)c2ccccc2n1C ZINC001138260143 803883808 /nfs/dbraw/zinc/88/38/08/803883808.db2.gz WMODVHBVYRILLK-DYVFJYSZSA-N 1 1 254.377 3.471 20 10 CGCDMO CN1CCCc2cc(C[N@@H+](C)C[C@@H]3CCCCO3)ccc21 ZINC001138356166 803900787 /nfs/dbraw/zinc/90/07/87/803900787.db2.gz BIWJIKVMKAVHSY-KRWDZBQOSA-N 1 1 288.435 3.070 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CCc4cccnc4C3)ccc21 ZINC001138357003 803900976 /nfs/dbraw/zinc/90/09/76/803900976.db2.gz XVPCLRHATXXZBZ-UHFFFAOYSA-N 1 1 293.414 3.022 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CCCC34CC4)ccc21 ZINC001138354792 803901051 /nfs/dbraw/zinc/90/10/51/803901051.db2.gz UZRGXINFTFGVKG-UHFFFAOYSA-N 1 1 256.393 3.197 20 10 CGCDMO Cc1cc(C[N@@H+](CC2CC2)C2CC2)ccc1N(C)C ZINC001139674359 804247682 /nfs/dbraw/zinc/24/76/82/804247682.db2.gz VZRNPGISUDCVKS-UHFFFAOYSA-N 1 1 258.409 3.435 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCOc3ccccc3C2)c1O ZINC001140179700 804396772 /nfs/dbraw/zinc/39/67/72/804396772.db2.gz MQFXJARRJNNMDK-UHFFFAOYSA-N 1 1 283.371 3.404 20 10 CGCDMO CC[NH+](CC)C1CCN(Cc2c(C)ccc(C)c2O)CC1 ZINC001140179732 804396977 /nfs/dbraw/zinc/39/69/77/804396977.db2.gz NQAMKPKPZZXIEQ-UHFFFAOYSA-N 1 1 290.451 3.315 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCC[C@H]2c2ncccn2)c1O ZINC001140185506 804397855 /nfs/dbraw/zinc/39/78/55/804397855.db2.gz XYVBAQPNOCELLD-HNNXBMFYSA-N 1 1 283.375 3.136 20 10 CGCDMO Cc1ccc(C)c(C[N@H+](C(C)C)C2CCOCC2)c1O ZINC001140185209 804399497 /nfs/dbraw/zinc/39/94/97/804399497.db2.gz RXYJPXCQWCVJLE-UHFFFAOYSA-N 1 1 277.408 3.398 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001140337748 804418820 /nfs/dbraw/zinc/41/88/20/804418820.db2.gz CGORNQQGZJUWIJ-HNNXBMFYSA-N 1 1 281.783 3.191 20 10 CGCDMO CCC[N@@H+](Cc1c(O)cccc1Cl)C1CCOCC1 ZINC001140342249 804419937 /nfs/dbraw/zinc/41/99/37/804419937.db2.gz ZUXXQYNHSFXIKO-UHFFFAOYSA-N 1 1 283.799 3.437 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)[C@@H](C)C1 ZINC001140468602 804443947 /nfs/dbraw/zinc/44/39/47/804443947.db2.gz QGULFBUZMXDUMM-GXFFZTMASA-N 1 1 269.772 3.045 20 10 CGCDMO Cc1c(O)ccc(C[N@@H+]2Cc3cccc(F)c3C2)c1O ZINC001140749269 804505055 /nfs/dbraw/zinc/50/50/55/804505055.db2.gz UVPKKORRHSTTMD-UHFFFAOYSA-N 1 1 273.307 3.061 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2Cc3cccc(F)c3C2)c1O ZINC001140749269 804505058 /nfs/dbraw/zinc/50/50/58/804505058.db2.gz UVPKKORRHSTTMD-UHFFFAOYSA-N 1 1 273.307 3.061 20 10 CGCDMO CC(C)C[N@@H+](C)Cc1ccc(N(C)C)cc1Cl ZINC001140921765 804549483 /nfs/dbraw/zinc/54/94/83/804549483.db2.gz OXWRAQXRZNMMIC-UHFFFAOYSA-N 1 1 254.805 3.494 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC3(CC3)C2)c(Cl)c1 ZINC001140922329 804548709 /nfs/dbraw/zinc/54/87/09/804548709.db2.gz OLAUZALZESRODG-UHFFFAOYSA-N 1 1 264.800 3.392 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]3C[C@@H]32)c(Cl)c1 ZINC001140926673 804550773 /nfs/dbraw/zinc/55/07/73/804550773.db2.gz PPTVHUMJYWKGHC-ABAIWWIYSA-N 1 1 264.800 3.390 20 10 CGCDMO CN1CCOc2cc(C[N@H+]3CC[C@H]4CCC[C@@H]4C3)ccc21 ZINC001141142090 804596600 /nfs/dbraw/zinc/59/66/00/804596600.db2.gz FEPXHYBJMYVELK-HZPDHXFCSA-N 1 1 286.419 3.137 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001142509154 804728698 /nfs/dbraw/zinc/72/86/98/804728698.db2.gz YWKKFBWHHDPZFQ-PHIMTYICSA-N 1 1 267.319 3.292 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001142509154 804728702 /nfs/dbraw/zinc/72/87/02/804728702.db2.gz YWKKFBWHHDPZFQ-PHIMTYICSA-N 1 1 267.319 3.292 20 10 CGCDMO C[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142509063 804729297 /nfs/dbraw/zinc/72/92/97/804729297.db2.gz VZPLAZHXTQFWHJ-SNVBAGLBSA-N 1 1 255.308 3.292 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142509063 804729301 /nfs/dbraw/zinc/72/93/01/804729301.db2.gz VZPLAZHXTQFWHJ-SNVBAGLBSA-N 1 1 255.308 3.292 20 10 CGCDMO CC(C)[C@@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142527466 804733969 /nfs/dbraw/zinc/73/39/69/804733969.db2.gz VUTDRDKZPIVVAL-ZDUSSCGKSA-N 1 1 255.308 3.291 20 10 CGCDMO CC(C)[C@@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142527466 804733974 /nfs/dbraw/zinc/73/39/74/804733974.db2.gz VUTDRDKZPIVVAL-ZDUSSCGKSA-N 1 1 255.308 3.291 20 10 CGCDMO CC(C)[C@@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142527466 804733977 /nfs/dbraw/zinc/73/39/77/804733977.db2.gz VUTDRDKZPIVVAL-ZDUSSCGKSA-N 1 1 255.308 3.291 20 10 CGCDMO C[N@@H+](Cc1cccc(C(C)(C)C)c1O)[C@H]1CC[C@H](O)CC1 ZINC001143104011 804801202 /nfs/dbraw/zinc/80/12/02/804801202.db2.gz OBEPWCAGAGXRKB-SHTZXODSSA-N 1 1 291.435 3.425 20 10 CGCDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143103809 804802631 /nfs/dbraw/zinc/80/26/31/804802631.db2.gz KPOFZYKKQKGVGX-TZMCWYRMSA-N 1 1 277.408 3.035 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CCC[C@](C)(O)C2)c1O ZINC001143110610 804803955 /nfs/dbraw/zinc/80/39/55/804803955.db2.gz LGWXYQFJKZKTSO-KRWDZBQOSA-N 1 1 277.408 3.037 20 10 CGCDMO CN(C)[C@@H]1CCC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143110818 804804401 /nfs/dbraw/zinc/80/44/01/804804401.db2.gz QDEGNKNPNALXOZ-OAHLLOKOSA-N 1 1 290.451 3.216 20 10 CGCDMO CN(C)[C@@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143110818 804804408 /nfs/dbraw/zinc/80/44/08/804804408.db2.gz QDEGNKNPNALXOZ-OAHLLOKOSA-N 1 1 290.451 3.216 20 10 CGCDMO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144515044 804997765 /nfs/dbraw/zinc/99/77/65/804997765.db2.gz CKLSMLWTOSHWHS-MRXNPFEDSA-N 1 1 299.370 3.313 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CCC[C@H]2C2CCCCC2)c(O)c1 ZINC001144515328 804998009 /nfs/dbraw/zinc/99/80/09/804998009.db2.gz KGKMFNGPBKQZHO-HNNXBMFYSA-N 1 1 291.391 3.348 20 10 CGCDMO C[C@@H]1CC[N@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249223315 805115093 /nfs/dbraw/zinc/11/50/93/805115093.db2.gz DLQTVSTVIDBVKQ-LLVKDONJSA-N 1 1 259.349 3.171 20 10 CGCDMO COc1ccc2c(c1)C[C@H]([N@@H+](C)Cc1ccccc1O)C2 ZINC001168285115 807373193 /nfs/dbraw/zinc/37/31/93/807373193.db2.gz ZUOSJCYVWFQFTB-MRXNPFEDSA-N 1 1 283.371 3.000 20 10 CGCDMO C[C@H]1CCC[C@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001258826624 807641418 /nfs/dbraw/zinc/64/14/18/807641418.db2.gz DVNLLJTXDNZQTJ-WFASDCNBSA-N 1 1 275.392 3.425 20 10 CGCDMO C[N@H+]1CC[C@H](c2ccc(NCc3ccc(O)c(O)c3)cc2)C1 ZINC001169996609 807736022 /nfs/dbraw/zinc/73/60/22/807736022.db2.gz CUEGIWPDLKCRTG-HNNXBMFYSA-N 1 1 298.386 3.129 20 10 CGCDMO CC1(C)[C@@H]2C[C@@H]([N@H+]3CCCc4cc(O)c(O)cc4C3)C[C@@H]21 ZINC001170765438 807903024 /nfs/dbraw/zinc/90/30/24/807903024.db2.gz SSHCQYHBLZTEJX-QKDCVEJESA-N 1 1 287.403 3.281 20 10 CGCDMO Oc1cc2ccccc2cc1CNc1[nH+]cnc2[nH]ccc21 ZINC001171402447 808047006 /nfs/dbraw/zinc/04/70/06/808047006.db2.gz MCHNFVUCBCMUCO-UHFFFAOYSA-N 1 1 290.326 3.429 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)[C@@H]1Cc2cccc(F)c2C1 ZINC001171807125 808145399 /nfs/dbraw/zinc/14/53/99/808145399.db2.gz PYHQCVAAYJYYRO-CQSZACIVSA-N 1 1 271.335 3.131 20 10 CGCDMO CC[C@@H](C)OCC[C@H](C)[N@@H+](C)Cc1ccccc1O ZINC001172352763 808250006 /nfs/dbraw/zinc/25/00/06/808250006.db2.gz JEROFASBMYNGSV-UONOGXRCSA-N 1 1 265.397 3.418 20 10 CGCDMO CC(C)OCC[C@H](C)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001172453260 808324525 /nfs/dbraw/zinc/32/45/25/808324525.db2.gz GBWGXLRLUSORTB-HNNXBMFYSA-N 1 1 278.440 3.388 20 10 CGCDMO COc1ccc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCCC2)cc1 ZINC001276926955 809046166 /nfs/dbraw/zinc/04/61/66/809046166.db2.gz JHWCYOMXIOVGBG-CALCHBBNSA-N 1 1 286.419 3.291 20 10 CGCDMO Cc1cc(C[N@@H+](C)[C@H](CO)CC(C)(C)C)ccc1N(C)C ZINC001194383325 811064142 /nfs/dbraw/zinc/06/41/42/811064142.db2.gz BLVXBHNOXWWRRJ-INIZCTEOSA-N 1 1 292.467 3.290 20 10 CGCDMO CCCOc1ccc(CNC[C@H]2CCC[N@@H+]2CC)cc1C ZINC001198907744 811551377 /nfs/dbraw/zinc/55/13/77/811551377.db2.gz FWOJLKNAKNQICO-QGZVFWFLSA-N 1 1 290.451 3.358 20 10 CGCDMO CCCOc1ccc(CNC[C@H]2CCC[N@H+]2CC)cc1C ZINC001198907744 811551387 /nfs/dbraw/zinc/55/13/87/811551387.db2.gz FWOJLKNAKNQICO-QGZVFWFLSA-N 1 1 290.451 3.358 20 10 CGCDMO COc1ccc(C[N@@H+](C)[C@H]2CC[C@H](C)CC2)c(O)c1 ZINC001203635452 812411998 /nfs/dbraw/zinc/41/19/98/812411998.db2.gz VNCDTFCYSKZQKD-MQMHXKEQSA-N 1 1 263.381 3.411 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001203650815 812415196 /nfs/dbraw/zinc/41/51/96/812415196.db2.gz DJSIXPSDZXTSKV-OAHLLOKOSA-N 1 1 281.783 3.191 20 10 CGCDMO Oc1ccc(C[N@H+]2CCC[C@@H]2c2cccs2)cc1O ZINC001203878504 812477783 /nfs/dbraw/zinc/47/77/83/812477783.db2.gz HPTOGEHMWLYWDQ-GFCCVEGCSA-N 1 1 275.373 3.496 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C)[C@H](O)CC2)cc1 ZINC001203937186 812497756 /nfs/dbraw/zinc/49/77/56/812497756.db2.gz QZPHEHYMHMYQCE-CRAIPNDOSA-N 1 1 290.451 3.126 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCCC(=O)[C@H](C)C2)cc1 ZINC001203936917 812497888 /nfs/dbraw/zinc/49/78/88/812497888.db2.gz QSTWIRHQBKCPFW-OAHLLOKOSA-N 1 1 288.435 3.334 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C[C@H]1O ZINC001204234066 812582226 /nfs/dbraw/zinc/58/22/26/812582226.db2.gz WOWRYCBOZIEDDV-AUUYWEPGSA-N 1 1 298.430 3.109 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)c2ccccc12)C1COC1 ZINC001204242854 812582963 /nfs/dbraw/zinc/58/29/63/812582963.db2.gz SSEIFBKRSLRFNJ-UHFFFAOYSA-N 1 1 284.403 3.127 20 10 CGCDMO CC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204240656 812583226 /nfs/dbraw/zinc/58/32/26/812583226.db2.gz CMSWPNICFZAZON-SFHVURJKSA-N 1 1 296.414 3.459 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@]23CCOC3)c2ccccc21 ZINC001204240533 812584488 /nfs/dbraw/zinc/58/44/88/812584488.db2.gz XAFLICMHOZBFOR-IBGZPJMESA-N 1 1 296.414 3.271 20 10 CGCDMO Oc1ccc(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)c(O)c1 ZINC001204275502 812594425 /nfs/dbraw/zinc/59/44/25/812594425.db2.gz UHAAHEUNDCDOQA-KRWDZBQOSA-N 1 1 299.370 3.141 20 10 CGCDMO 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Cc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H]2C3)cc1Br ZINC001237680328 819805948 /nfs/dbraw/zinc/80/59/48/819805948.db2.gz BOIGIUONNKWDRN-CMPLNLGQSA-N 1 1 296.208 3.447 20 10 CGCDMO C[N@@H+](Cc1cc(F)c(Cl)cc1O)CC1CCOCC1 ZINC001237933387 819885656 /nfs/dbraw/zinc/88/56/56/819885656.db2.gz AVGFNYLTPKYRGP-UHFFFAOYSA-N 1 1 287.762 3.043 20 10 CGCDMO C[N@H+](Cc1cc(F)c(Cl)cc1O)CC1CCOCC1 ZINC001237933387 819885666 /nfs/dbraw/zinc/88/56/66/819885666.db2.gz AVGFNYLTPKYRGP-UHFFFAOYSA-N 1 1 287.762 3.043 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001237935905 819886913 /nfs/dbraw/zinc/88/69/13/819886913.db2.gz GJRJEVWNQVEQTD-OVYXKVPISA-N 1 1 273.710 3.117 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001237935905 819886923 /nfs/dbraw/zinc/88/69/23/819886923.db2.gz GJRJEVWNQVEQTD-OVYXKVPISA-N 1 1 273.710 3.117 20 10 CGCDMO CC[C@@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237944423 819890604 /nfs/dbraw/zinc/89/06/04/819890604.db2.gz TZXOOZCTYDGTSH-SECBINFHSA-N 1 1 257.736 3.417 20 10 CGCDMO CC[C@@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237944423 819890618 /nfs/dbraw/zinc/89/06/18/819890618.db2.gz TZXOOZCTYDGTSH-SECBINFHSA-N 1 1 257.736 3.417 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CCOC3(CCCCC3)C2)c1O ZINC001238069529 819922652 /nfs/dbraw/zinc/92/26/52/819922652.db2.gz JDRJGKUNNXXUDK-UHFFFAOYSA-N 1 1 293.382 3.375 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1cncc(C3CC3)c1)CC2 ZINC001238187543 819949402 /nfs/dbraw/zinc/94/94/02/819949402.db2.gz BHYHJDMPWWWEKJ-UHFFFAOYSA-N 1 1 280.371 3.223 20 10 CGCDMO C[N@H+]1CCC=C(c2cc3c4c(c2)CCCN4CCC3)C1 ZINC001241570853 821956211 /nfs/dbraw/zinc/95/62/11/821956211.db2.gz PNCCAXOFMAVZPM-UHFFFAOYSA-N 1 1 268.404 3.104 20 10 CGCDMO Cc1nc(C[N@@H+](C)Cc2ccccc2O)c(C)s1 ZINC001335414283 936144767 /nfs/dbraw/zinc/14/47/67/936144767.db2.gz WDCOHDHHJSPXHF-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO Cc1nc(C[N@H+](C)Cc2ccccc2O)c(C)s1 ZINC001335414283 936144770 /nfs/dbraw/zinc/14/47/70/936144770.db2.gz WDCOHDHHJSPXHF-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1cc(N)cc[nH+]1 ZINC001350955169 937003892 /nfs/dbraw/zinc/00/38/92/937003892.db2.gz GXVREAVQCYMDSF-SMDDNHRTSA-N 1 1 283.375 3.016 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCCSC[C@H]2C)cc1 ZINC001460919550 937553463 /nfs/dbraw/zinc/55/34/63/937553463.db2.gz ZMAXUZLCZNJGIR-CQSZACIVSA-N 1 1 278.465 3.470 20 10 CGCDMO CSC[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001461839879 937601112 /nfs/dbraw/zinc/60/11/12/937601112.db2.gz AMMJPBZUNDCYHC-GFCCVEGCSA-N 1 1 271.813 3.373 20 10 CGCDMO C[N@@H+](CCC(F)(F)F)Cc1ccc(Cl)cc1O ZINC001461990936 937611499 /nfs/dbraw/zinc/61/14/99/937611499.db2.gz XGRBVFBRTNXMKJ-UHFFFAOYSA-N 1 1 267.678 3.430 20 10 CGCDMO CCCC[N@@H+](CCCO)Cc1cc(Cl)c(C)cc1O ZINC001462201140 937625110 /nfs/dbraw/zinc/62/51/10/937625110.db2.gz UUBRHGAIRNYECW-UHFFFAOYSA-N 1 1 285.815 3.339 20 10 CGCDMO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000827031336 932762054 /nfs/dbraw/zinc/76/20/54/932762054.db2.gz UULGRVABQCTOAY-MEDUHNTESA-N 1 1 271.335 3.349 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CC[C@@H](CCCO)C2)c1 ZINC001462337662 937633823 /nfs/dbraw/zinc/63/38/23/937633823.db2.gz MVZNXAKZDCLYSU-CQSZACIVSA-N 1 1 277.408 3.110 20 10 CGCDMO Cc1ccc(C[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)c(O)c1 ZINC001462583217 937652142 /nfs/dbraw/zinc/65/21/42/937652142.db2.gz VXJLPNSVZPVZEX-PKOBYXMFSA-N 1 1 279.383 3.474 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC001308755614 933171555 /nfs/dbraw/zinc/17/15/55/933171555.db2.gz UXCGMNLYNOZZBG-GXTWGEPZSA-N 1 1 293.407 3.420 20 10 CGCDMO C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1c(O)cccc1F ZINC001474716333 933704912 /nfs/dbraw/zinc/70/49/12/933704912.db2.gz JXCQLFBNHAIEHQ-GXFFZTMASA-N 1 1 251.345 3.446 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1F ZINC001319908870 933956978 /nfs/dbraw/zinc/95/69/78/933956978.db2.gz YRHDNPAEFMPYDI-WMLDXEAASA-N 1 1 276.399 3.467 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC(C)(C)C2(C)C)cc1OC ZINC001320068033 933993486 /nfs/dbraw/zinc/99/34/86/933993486.db2.gz PROPDYVGNPECQH-UHFFFAOYSA-N 1 1 279.380 3.030 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CCCN(CC)C1)c1ccc(C)cc1O ZINC001321542407 934193340 /nfs/dbraw/zinc/19/33/40/934193340.db2.gz LKNMKSGFFQTHKW-RDJZCZTQSA-N 1 1 290.451 3.473 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(-c2nnc(C[NH+](C)C)o2)cc1 ZINC001322399305 934293005 /nfs/dbraw/zinc/29/30/05/934293005.db2.gz ARIMIGWEIOXBDR-UHFFFAOYSA-N 1 1 296.374 3.206 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001324275758 934480383 /nfs/dbraw/zinc/48/03/83/934480383.db2.gz VCKDCUUMSXKPNA-MEBBXXQBSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001324275758 934480387 /nfs/dbraw/zinc/48/03/87/934480387.db2.gz VCKDCUUMSXKPNA-MEBBXXQBSA-N 1 1 299.773 3.186 20 10 CGCDMO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001324711559 934553904 /nfs/dbraw/zinc/55/39/04/934553904.db2.gz GMAPTSNJZVUUAZ-NVXWUHKLSA-N 1 1 288.435 3.286 20 10 CGCDMO COc1ccc(N(C)CC[N@@H+](C)CCC(C)C)cc1 ZINC001473610827 937813712 /nfs/dbraw/zinc/81/37/12/937813712.db2.gz UNEBRVQYBLMPFU-UHFFFAOYSA-N 1 1 264.413 3.109 20 10 CGCDMO CC(C)C[C@@H](CO)[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001327421356 935058249 /nfs/dbraw/zinc/05/82/49/935058249.db2.gz XCYLDGIFPGXZIA-SFHVURJKSA-N 1 1 290.451 3.126 20 10 CGCDMO CCc1cccc(C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)c1O ZINC001332986207 935502305 /nfs/dbraw/zinc/50/23/05/935502305.db2.gz UAVBRFKDHNRETA-UHFFFAOYSA-N 1 1 298.342 3.379 20 10 CGCDMO CCc1cccc(C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)c1O ZINC001332986207 935502306 /nfs/dbraw/zinc/50/23/06/935502306.db2.gz UAVBRFKDHNRETA-UHFFFAOYSA-N 1 1 298.342 3.379 20 10 CGCDMO Nc1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)cc1 ZINC001334753328 936112050 /nfs/dbraw/zinc/11/20/50/936112050.db2.gz CSQWNKQSDXUTRJ-DLBZAZTESA-N 1 1 270.351 3.384 20 10 CGCDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(N)cc2)C1 ZINC001334774149 936112665 /nfs/dbraw/zinc/11/26/65/936112665.db2.gz DVPHIOAREBBFQP-CXAGYDPISA-N 1 1 267.376 3.247 20 10 CGCDMO COc1cc(CNc2ccc3c(c2)[nH+]cn3C)ccc1F ZINC001474050683 937837865 /nfs/dbraw/zinc/83/78/65/937837865.db2.gz RJOFESLSBVCCPA-UHFFFAOYSA-N 1 1 285.322 3.333 20 10 CGCDMO CCCCC[N@H+](C/C=C\c1ccc(N(C)C)cc1)CCO ZINC001474414275 937858005 /nfs/dbraw/zinc/85/80/05/937858005.db2.gz WEEKKGOYJTUXIF-FPLPWBNLSA-N 1 1 290.451 3.250 20 10 CGCDMO C[C@]1(C[NH2+]Cc2cc(F)c(F)cc2O)CC1(Cl)Cl ZINC001474533462 937865272 /nfs/dbraw/zinc/86/52/72/937865272.db2.gz SVLXKJPJLICBJU-LLVKDONJSA-N 1 1 296.144 3.344 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+][C@@H]1CCc2ccccc21 ZINC001474617373 937870628 /nfs/dbraw/zinc/87/06/28/937870628.db2.gz BDSAWIRSNLHKJH-OAHLLOKOSA-N 1 1 275.298 3.448 20 10 CGCDMO CC[C@H](C)N1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC001560834307 938278232 /nfs/dbraw/zinc/27/82/32/938278232.db2.gz JXOQVJSIYXYZLP-HNNXBMFYSA-N 1 1 298.430 3.462 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC[C@@H](C3CC3)C2)c(O)c1 ZINC001560867818 938280637 /nfs/dbraw/zinc/28/06/37/938280637.db2.gz OPUVQPSBNQLTFT-CQSZACIVSA-N 1 1 275.392 3.331 20 10 CGCDMO Cc1ccc(C[N@H+](C)C[C@]23CCC[C@H]2OCC3)c(O)c1 ZINC001561051675 938291909 /nfs/dbraw/zinc/29/19/09/938291909.db2.gz FPQDELQXDUSSJI-IAGOWNOFSA-N 1 1 275.392 3.092 20 10 CGCDMO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n[nH]1 ZINC000090531839 370062242 /nfs/dbraw/zinc/06/22/42/370062242.db2.gz WEYULYPSJRMYDL-OCCSQVGLSA-N 1 1 286.423 3.066 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@]3(CCOC3)C2)cc1 ZINC000093820739 370161745 /nfs/dbraw/zinc/16/17/45/370161745.db2.gz HLNHSLCJMFGFOI-SFHVURJKSA-N 1 1 288.435 3.145 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@H](O)c1ccccc1Cl ZINC000111235612 370394457 /nfs/dbraw/zinc/39/44/57/370394457.db2.gz HVDMFHXPKISJQM-INIZCTEOSA-N 1 1 291.778 3.211 20 10 CGCDMO Oc1ccccc1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000111245078 370394705 /nfs/dbraw/zinc/39/47/05/370394705.db2.gz FFVGWWQVYQCNML-INIZCTEOSA-N 1 1 275.392 3.316 20 10 CGCDMO Oc1ccccc1C[N@@H+](C/C=C/Cl)C[C@H]1CCCO1 ZINC000135208623 371401589 /nfs/dbraw/zinc/40/15/89/371401589.db2.gz RTOQCLJBZJAQHH-YOIVXCQUSA-N 1 1 281.783 3.126 20 10 CGCDMO CO[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)[C@@H](C)C1 ZINC000294743602 372669919 /nfs/dbraw/zinc/66/99/19/372669919.db2.gz QYKLCZMCYWCMBN-GXSJLCMTSA-N 1 1 287.762 3.184 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)[C@@H](C)C1 ZINC000294743602 372669924 /nfs/dbraw/zinc/66/99/24/372669924.db2.gz QYKLCZMCYWCMBN-GXSJLCMTSA-N 1 1 287.762 3.184 20 10 CGCDMO Cc1cc(Cl)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1O ZINC000295084363 372692083 /nfs/dbraw/zinc/69/20/83/372692083.db2.gz SJBBVSAGNUUEJD-GOOCMWNKSA-N 1 1 294.826 3.069 20 10 CGCDMO Cc1ncsc1CC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000296373620 373109055 /nfs/dbraw/zinc/10/90/55/373109055.db2.gz JHSJPRYXHUQILS-SECBINFHSA-N 1 1 280.368 3.190 20 10 CGCDMO Cc1cc(NCCCSc2nccs2)nc(C)[nH+]1 ZINC000301781074 373805699 /nfs/dbraw/zinc/80/56/99/373805699.db2.gz NCZUPVODSBYVEZ-UHFFFAOYSA-N 1 1 280.422 3.144 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1O ZINC000179678775 373903331 /nfs/dbraw/zinc/90/33/31/373903331.db2.gz JGZVFJJDJBRCQP-GFCCVEGCSA-N 1 1 295.810 3.355 20 10 CGCDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000179887697 373933946 /nfs/dbraw/zinc/93/39/46/373933946.db2.gz IUKWBSJNNYJRAC-HNNXBMFYSA-N 1 1 274.339 3.207 20 10 CGCDMO Cc1cccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1O ZINC000180413190 374001163 /nfs/dbraw/zinc/00/11/63/374001163.db2.gz HBCIBUHZNOUTTR-SJORKVTESA-N 1 1 288.435 3.148 20 10 CGCDMO Cc1cccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(C)C)c1O ZINC000180413190 374001169 /nfs/dbraw/zinc/00/11/69/374001169.db2.gz HBCIBUHZNOUTTR-SJORKVTESA-N 1 1 288.435 3.148 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(C)C)c1O ZINC000180413190 374001174 /nfs/dbraw/zinc/00/11/74/374001174.db2.gz HBCIBUHZNOUTTR-SJORKVTESA-N 1 1 288.435 3.148 20 10 CGCDMO CSCC[C@@H](C)[N@@H+](C)Cc1cccc(C)c1O ZINC000180349711 373992191 /nfs/dbraw/zinc/99/21/91/373992191.db2.gz RGUKJXAMDKRNIF-GFCCVEGCSA-N 1 1 253.411 3.274 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)Cc2cc(Cl)cn2C)c1 ZINC000180709477 374038156 /nfs/dbraw/zinc/03/81/56/374038156.db2.gz YEYTYSCJLALRPD-UHFFFAOYSA-N 1 1 294.782 3.025 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CCSCC[C@@H]2C)c1 ZINC000191812761 375664687 /nfs/dbraw/zinc/66/46/87/375664687.db2.gz MHIJWAZOKLOHMK-LBPRGKRZSA-N 1 1 251.395 3.028 20 10 CGCDMO C[C@H]1CCSCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000191818264 375667336 /nfs/dbraw/zinc/66/73/36/375667336.db2.gz RKXVLWBAGLEOIP-ZDUSSCGKSA-N 1 1 264.438 3.080 20 10 CGCDMO CC(C)[N@@H+](CCC(C)(C)O)Cc1ccc(N(C)C)cc1 ZINC000267396370 378037709 /nfs/dbraw/zinc/03/77/09/378037709.db2.gz IFOMZDUPTVNRSG-UHFFFAOYSA-N 1 1 278.440 3.124 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000272338371 378615250 /nfs/dbraw/zinc/61/52/50/378615250.db2.gz YDWWRRPRIBFDAM-AWEZNQCLSA-N 1 1 260.312 3.197 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)Nc2cc(C)cc[nH+]2)c1 ZINC000273469418 378748739 /nfs/dbraw/zinc/74/87/39/378748739.db2.gz JJLSYOJKSPZAKU-NSHDSACASA-N 1 1 286.331 3.055 20 10 CGCDMO CCCOc1ccc(C[N@H+]2CCCO[C@@H](CC)C2)c(O)c1 ZINC000281335753 379829479 /nfs/dbraw/zinc/82/94/79/379829479.db2.gz SIQRHZBOMOIIEB-HNNXBMFYSA-N 1 1 293.407 3.182 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@H]1c1nccs1 ZINC000378493173 379832634 /nfs/dbraw/zinc/83/26/34/379832634.db2.gz HZCLRXVAGAAHCC-LBPRGKRZSA-N 1 1 260.362 3.186 20 10 CGCDMO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)c(O)c1 ZINC000283936454 380107610 /nfs/dbraw/zinc/10/76/10/380107610.db2.gz FFSQVAASHHQNOI-LSDHHAIUSA-N 1 1 288.435 3.144 20 10 CGCDMO CC[C@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(F)cc1O ZINC000285903260 380153495 /nfs/dbraw/zinc/15/34/95/380153495.db2.gz BLABSLDUPMXQGA-UONOGXRCSA-N 1 1 293.338 3.289 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000367689431 382353569 /nfs/dbraw/zinc/35/35/69/382353569.db2.gz VLLOSPLZSNRBAJ-LSDHHAIUSA-N 1 1 275.392 3.031 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(N(C)C)cc1 ZINC000368100867 382364776 /nfs/dbraw/zinc/36/47/76/382364776.db2.gz IPQMAJPTTNWQGY-ZBFHGGJFSA-N 1 1 298.434 3.074 20 10 CGCDMO COCCC(C)(C)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000183928748 262251992 /nfs/dbraw/zinc/25/19/92/262251992.db2.gz KTBBWYNTFTYVGO-NSHDSACASA-N 1 1 269.360 3.245 20 10 CGCDMO CCCOc1ccc(C[N@H+]2CC[C@@H](COCC)C2)c(O)c1 ZINC000093839223 392240912 /nfs/dbraw/zinc/24/09/12/392240912.db2.gz HSUNYKZZOAZPNM-CQSZACIVSA-N 1 1 293.407 3.039 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@H](c3ccccc3)C2)c1O ZINC000133700727 392462934 /nfs/dbraw/zinc/46/29/34/392462934.db2.gz WJSQEAPNBYBDIB-HNNXBMFYSA-N 1 1 283.371 3.390 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c1 ZINC000120066255 392398485 /nfs/dbraw/zinc/39/84/85/392398485.db2.gz QPFZQWIRAQQGQW-UHFFFAOYSA-N 1 1 285.343 3.061 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2nccs2)c1 ZINC000374299455 392676469 /nfs/dbraw/zinc/67/64/69/392676469.db2.gz BNIGOALIFNZQPB-CYBMUJFWSA-N 1 1 274.389 3.494 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2scnc2C)c1 ZINC000179429269 392700286 /nfs/dbraw/zinc/70/02/86/392700286.db2.gz XVJGOPZSHMURAK-UHFFFAOYSA-N 1 1 292.404 3.188 20 10 CGCDMO CCOc1cccc(C[N@@H+]2CCn3cccc3[C@H]2C)c1O ZINC000179565882 392701797 /nfs/dbraw/zinc/70/17/97/392701797.db2.gz VIDBPKQWCYVPMB-CYBMUJFWSA-N 1 1 286.375 3.169 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCn3cccc3[C@H]2C)c1O ZINC000179565882 392701802 /nfs/dbraw/zinc/70/18/02/392701802.db2.gz VIDBPKQWCYVPMB-CYBMUJFWSA-N 1 1 286.375 3.169 20 10 CGCDMO COc1ccccc1C[N@@H+](C)Cc1cccc(C)c1O ZINC000179559519 392702091 /nfs/dbraw/zinc/70/20/91/392702091.db2.gz QJABIBBXTXWHRA-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCn3cccc3[C@@H]2C)c1 ZINC000179568242 392704503 /nfs/dbraw/zinc/70/45/03/392704503.db2.gz MZAVVPZUMQHOTP-ZDUSSCGKSA-N 1 1 256.349 3.079 20 10 CGCDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000184985399 262035959 /nfs/dbraw/zinc/03/59/59/262035959.db2.gz DVCXQLKOQYGTIJ-AAEUAGOBSA-N 1 1 279.380 3.030 20 10 CGCDMO C[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccc(F)cc1O ZINC000185327862 262050858 /nfs/dbraw/zinc/05/08/58/262050858.db2.gz ANNFZSGWTDYOSA-ZBEGNZNMSA-N 1 1 281.371 3.123 20 10 CGCDMO CSC1(C[NH2+][C@H](C)c2ccc(F)cc2O)CCOCC1 ZINC000186080952 262078406 /nfs/dbraw/zinc/07/84/06/262078406.db2.gz HREZPEWTGPFATA-LLVKDONJSA-N 1 1 299.411 3.094 20 10 CGCDMO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2O)n[nH]1 ZINC000186130654 262080626 /nfs/dbraw/zinc/08/06/26/262080626.db2.gz GTNRFFPTHMLBRC-MWLCHTKSSA-N 1 1 293.798 3.359 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](N3CCCC3)[C@@H]2C)cc1C ZINC000288135279 263103603 /nfs/dbraw/zinc/10/36/03/263103603.db2.gz ABQFQFFCYGATTE-DOTOQJQBSA-N 1 1 288.435 3.068 20 10 CGCDMO Cc1cc(O)c(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1C ZINC000288135279 263103604 /nfs/dbraw/zinc/10/36/04/263103604.db2.gz ABQFQFFCYGATTE-DOTOQJQBSA-N 1 1 288.435 3.068 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCCC[C@H](COC)C2)c1O ZINC000368661310 267195029 /nfs/dbraw/zinc/19/50/29/267195029.db2.gz VJRWDOJTKRSBSR-AWEZNQCLSA-N 1 1 293.407 3.039 20 10 CGCDMO COC[C@H]1CCCC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000368666479 267196103 /nfs/dbraw/zinc/19/61/03/267196103.db2.gz MADJKSUMWJFKJR-HNNXBMFYSA-N 1 1 277.408 3.258 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1C ZINC000376758485 268014217 /nfs/dbraw/zinc/01/42/17/268014217.db2.gz PRLUDSZFHUERGD-QGZVFWFLSA-N 1 1 275.392 3.012 20 10 CGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@@H]3C)cc2)CC1 ZINC000295139433 277194653 /nfs/dbraw/zinc/19/46/53/277194653.db2.gz ZHPBLVGYEOEKQW-HNNXBMFYSA-N 1 1 288.435 3.286 20 10 CGCDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000290654393 280325005 /nfs/dbraw/zinc/32/50/05/280325005.db2.gz ZFXLLIVCMBVQSG-DGCLKSJQSA-N 1 1 279.380 3.172 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(F)cc1O ZINC000286215123 280949342 /nfs/dbraw/zinc/94/93/42/280949342.db2.gz SETRQCVQLRCDLV-NHYWBVRUSA-N 1 1 281.371 3.387 20 10 CGCDMO Cc1cccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)c1O ZINC000271864593 328198461 /nfs/dbraw/zinc/19/84/61/328198461.db2.gz VTUVLHCVVYMRFZ-UHFFFAOYSA-N 1 1 291.420 3.139 20 10 CGCDMO CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276889192 328219830 /nfs/dbraw/zinc/21/98/30/328219830.db2.gz HFJQKNPAPPWUTF-NSHDSACASA-N 1 1 286.366 3.051 20 10 CGCDMO C[C@@]1(c2ccccc2)C[N@@H+](Cc2ccccc2O)CCO1 ZINC000179574049 329209805 /nfs/dbraw/zinc/20/98/05/329209805.db2.gz FTUQLTGHLTYWLV-SFHVURJKSA-N 1 1 283.371 3.140 20 10 CGCDMO Cc1ncccc1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000527987938 330299074 /nfs/dbraw/zinc/29/90/74/330299074.db2.gz QFJCQBMXTDUKKD-NSHDSACASA-N 1 1 260.312 3.086 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](O)C(C)(C)C2)cc1 ZINC000276022682 520894391 /nfs/dbraw/zinc/89/43/91/520894391.db2.gz QVFGDHHMCMAUOY-KRWDZBQOSA-N 1 1 290.451 3.126 20 10 CGCDMO CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCSC1 ZINC000279509780 521320285 /nfs/dbraw/zinc/32/02/85/521320285.db2.gz NJKJHJHIPLJITR-OAHLLOKOSA-N 1 1 278.465 3.328 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](CCc2cccnc2)C2CC2)cc1 ZINC000269468816 522171932 /nfs/dbraw/zinc/17/19/32/522171932.db2.gz IUCPQUBTHOLNAV-UHFFFAOYSA-N 1 1 295.430 3.355 20 10 CGCDMO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cccc(Cl)c1O ZINC000289866979 525248158 /nfs/dbraw/zinc/24/81/58/525248158.db2.gz VQWGWIJFCKPPHK-TZMCWYRMSA-N 1 1 294.826 3.104 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCCC3(CCOCC3)C2)cc1C ZINC000266112475 525315180 /nfs/dbraw/zinc/31/51/80/525315180.db2.gz TWEUQTXSCOPKID-UHFFFAOYSA-N 1 1 289.419 3.402 20 10 CGCDMO C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cc(F)ccc1[O-] ZINC000278477210 525324446 /nfs/dbraw/zinc/32/44/46/525324446.db2.gz OKOPNRLJKVTXKB-LBPRGKRZSA-N 1 1 292.398 3.056 20 10 CGCDMO Cc1nnc(C[N@@H+](Cc2ccccc2O)C2CCCC2)o1 ZINC000732205069 572451506 /nfs/dbraw/zinc/45/15/06/572451506.db2.gz ZADNDXWDYVYAQW-UHFFFAOYSA-N 1 1 287.363 3.028 20 10 CGCDMO CC1(C)CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000743390302 572656865 /nfs/dbraw/zinc/65/68/65/572656865.db2.gz IKFKWBRYPXWYQD-UHFFFAOYSA-N 1 1 256.349 3.172 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2Cc3ccccc3C3(CC3)C2)c1 ZINC000187678775 617618747 /nfs/dbraw/zinc/61/87/47/617618747.db2.gz CRYABEALWRTEOB-UHFFFAOYSA-N 1 1 295.382 3.448 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1O ZINC000248882391 617720971 /nfs/dbraw/zinc/72/09/71/617720971.db2.gz PCBPNONWJAXJQQ-ZJUUUORDSA-N 1 1 269.772 3.285 20 10 CGCDMO CCOC[C@H]1CCCC[N@H+]1Cc1cccc(OCC)c1O ZINC000313465713 618215063 /nfs/dbraw/zinc/21/50/63/618215063.db2.gz YKAUNZZFMNTLAK-OAHLLOKOSA-N 1 1 293.407 3.182 20 10 CGCDMO CC[C@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000157454353 618224833 /nfs/dbraw/zinc/22/48/33/618224833.db2.gz QKMWMAORQVELKB-KRWDZBQOSA-N 1 1 288.435 3.288 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2ccsc2)c(O)c1OC ZINC000891515453 618235208 /nfs/dbraw/zinc/23/52/08/618235208.db2.gz GLEPCMBGRRPHCF-UHFFFAOYSA-N 1 1 293.388 3.103 20 10 CGCDMO CCC[N@@H+](Cc1cnn(C)c1C1CC1)Cc1ccccc1O ZINC000891853798 618343087 /nfs/dbraw/zinc/34/30/87/618343087.db2.gz SNLKILNMQBSXNJ-UHFFFAOYSA-N 1 1 299.418 3.415 20 10 CGCDMO CC[C@@]1(C)CC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892146559 618556727 /nfs/dbraw/zinc/55/67/27/618556727.db2.gz PACVFSOUBPCMLH-INIZCTEOSA-N 1 1 279.380 3.031 20 10 CGCDMO COC1([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2O)CCC1 ZINC000840884441 618871945 /nfs/dbraw/zinc/87/19/45/618871945.db2.gz MRAFXCOROQAORO-QWRGUYRKSA-N 1 1 267.344 3.140 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCSCC[C@@H]2C)c1 ZINC000191817918 619113454 /nfs/dbraw/zinc/11/34/54/619113454.db2.gz KYRLAKALEZLVQO-LBPRGKRZSA-N 1 1 281.421 3.118 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000193440322 619129043 /nfs/dbraw/zinc/12/90/43/619129043.db2.gz NIOFZYADDMQHAM-OAHLLOKOSA-N 1 1 293.313 3.011 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)Cc2cccnc2)c(Cl)c1 ZINC000840937159 619227580 /nfs/dbraw/zinc/22/75/80/619227580.db2.gz PGAHXMLDCMYYBI-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2cccnc2)c(Cl)c1 ZINC000840937159 619227582 /nfs/dbraw/zinc/22/75/82/619227582.db2.gz PGAHXMLDCMYYBI-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)NCc2cc(N)cc[nH+]2)c1O ZINC000925769226 619229638 /nfs/dbraw/zinc/22/96/38/619229638.db2.gz ZJRJDHUQVXSSJO-JTQLQIEISA-N 1 1 291.782 3.182 20 10 CGCDMO CC(C)C1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000226565772 619276601 /nfs/dbraw/zinc/27/66/01/619276601.db2.gz DAQDYUJMUKRZLX-UHFFFAOYSA-N 1 1 251.345 3.399 20 10 CGCDMO CCN(CC)c1ccc(CNC[C@@H](C)[NH+](CC)CC)cc1 ZINC000236869686 619306748 /nfs/dbraw/zinc/30/67/48/619306748.db2.gz NYUORHKHSJLUGR-MRXNPFEDSA-N 1 1 291.483 3.353 20 10 CGCDMO COc1ccc2ccc(O)c(C[N@@H+](C)CC3CC3)c2c1 ZINC000047252616 619386722 /nfs/dbraw/zinc/38/67/22/619386722.db2.gz BAYFRZOJVWXSOK-UHFFFAOYSA-N 1 1 271.360 3.396 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)[C@H](C)c2cccnc2)c1O ZINC000894449520 619538725 /nfs/dbraw/zinc/53/87/25/619538725.db2.gz SYZQCWVFTWQMKD-CYBMUJFWSA-N 1 1 286.375 3.297 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](Cc2ccccn2)C2CC2)c1O ZINC000894779279 619632711 /nfs/dbraw/zinc/63/27/11/619632711.db2.gz FLWLPUMJCXJTPR-UHFFFAOYSA-N 1 1 298.386 3.269 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000895185680 619773015 /nfs/dbraw/zinc/77/30/15/619773015.db2.gz CCWHWGQSDMWCJO-AWEZNQCLSA-N 1 1 297.345 3.204 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000895185680 619773020 /nfs/dbraw/zinc/77/30/20/619773020.db2.gz CCWHWGQSDMWCJO-AWEZNQCLSA-N 1 1 297.345 3.204 20 10 CGCDMO CC[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccc(F)cc1O ZINC000796680576 620130162 /nfs/dbraw/zinc/13/01/62/620130162.db2.gz AANOLCMMKIQZJE-TZMCWYRMSA-N 1 1 267.344 3.141 20 10 CGCDMO CO[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)[C@H](C)C1 ZINC000799736222 620303894 /nfs/dbraw/zinc/30/38/94/620303894.db2.gz IMHZNPZMNATQNN-ZJUUUORDSA-N 1 1 287.762 3.184 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)[C@H](C)C1 ZINC000799736222 620303897 /nfs/dbraw/zinc/30/38/97/620303897.db2.gz IMHZNPZMNATQNN-ZJUUUORDSA-N 1 1 287.762 3.184 20 10 CGCDMO Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841744150 620347265 /nfs/dbraw/zinc/34/72/65/620347265.db2.gz FLKFAHJVHKZBPR-NSHDSACASA-N 1 1 293.798 3.361 20 10 CGCDMO COC[C@@H](C)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000179195550 620372265 /nfs/dbraw/zinc/37/22/65/620372265.db2.gz KZOCNOZLNFPWSQ-OAHLLOKOSA-N 1 1 276.424 3.144 20 10 CGCDMO COC(C)(C)CC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000865755409 620408719 /nfs/dbraw/zinc/40/87/19/620408719.db2.gz VMGWFMBXMHXPPI-UHFFFAOYSA-N 1 1 275.751 3.089 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000898067852 620474830 /nfs/dbraw/zinc/47/48/30/620474830.db2.gz IGFWFLMKCHOZRO-CYBMUJFWSA-N 1 1 288.416 3.222 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000768138510 625527374 /nfs/dbraw/zinc/52/73/74/625527374.db2.gz YCIPIZFQLMHNOL-BETUJISGSA-N 1 1 263.381 3.269 20 10 CGCDMO CC[N@@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000058591012 622937028 /nfs/dbraw/zinc/93/70/28/622937028.db2.gz RUWFDGMPZZHYGK-UHFFFAOYSA-N 1 1 285.343 3.143 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC000171110442 623131746 /nfs/dbraw/zinc/13/17/46/623131746.db2.gz RPKKTCWQFPSKLR-UHFFFAOYSA-N 1 1 284.403 3.393 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)Cc2cscn2)cc1C ZINC000063127376 623303042 /nfs/dbraw/zinc/30/30/42/623303042.db2.gz HVBPIHCQNHPBOV-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2cscn2)cc1C ZINC000063127376 623303048 /nfs/dbraw/zinc/30/30/48/623303048.db2.gz HVBPIHCQNHPBOV-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)[C@@H]1c1ccccc1 ZINC000173454938 623327006 /nfs/dbraw/zinc/32/70/06/623327006.db2.gz KZPZRWUVTRAEIZ-XIKOKIGWSA-N 1 1 297.354 3.314 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCn3cccc3[C@H]2C)cc1C ZINC000179565549 624665651 /nfs/dbraw/zinc/66/56/51/624665651.db2.gz PKHDUZIXKRLQJH-CQSZACIVSA-N 1 1 270.376 3.387 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCc3sccc3C2)c1 ZINC000179888100 624694791 /nfs/dbraw/zinc/69/47/91/624694791.db2.gz NQZHSDCFSRNCNE-UHFFFAOYSA-N 1 1 259.374 3.320 20 10 CGCDMO C[N@@H+](Cc1ccc(F)cc1)Cc1cc(F)ccc1O ZINC000179885195 624694830 /nfs/dbraw/zinc/69/48/30/624694830.db2.gz JLPINBSPENISCF-UHFFFAOYSA-N 1 1 263.287 3.302 20 10 CGCDMO Cc1cccc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)c1O ZINC000180311297 624735098 /nfs/dbraw/zinc/73/50/98/624735098.db2.gz XSYPGTBBTAPVIF-NWDGAFQWSA-N 1 1 251.395 3.026 20 10 CGCDMO COCC[N@@H+](C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000068960500 624773247 /nfs/dbraw/zinc/77/32/47/624773247.db2.gz LEFCHSDTYSCHIO-UHFFFAOYSA-N 1 1 289.375 3.095 20 10 CGCDMO C[C@H]1C[C@H]([NH2+]CC(C)(C)CN(C)C)c2c1c(F)ccc2O ZINC000756340553 625875148 /nfs/dbraw/zinc/87/51/48/625875148.db2.gz JRCBRHDEXNVJHM-AAEUAGOBSA-N 1 1 294.414 3.257 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cnc(C3CC3)nc2)cc1 ZINC000838780733 626252312 /nfs/dbraw/zinc/25/23/12/626252312.db2.gz BTVKLPSGDBXDRD-UHFFFAOYSA-N 1 1 296.418 3.052 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)C2CC(C)(C)C2)c1O ZINC000839184926 626327417 /nfs/dbraw/zinc/32/74/17/626327417.db2.gz NNCDNOFCWKPCFS-UHFFFAOYSA-N 1 1 263.381 3.411 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CSCCS1)c1c(O)cccc1F ZINC000886536857 626362190 /nfs/dbraw/zinc/36/21/90/626362190.db2.gz POPFCRXGXMUQKZ-ZJUUUORDSA-N 1 1 287.425 3.031 20 10 CGCDMO CCC1CCC([N@@H+](CCO)Cc2cc(F)ccc2O)CC1 ZINC000754154861 626561160 /nfs/dbraw/zinc/56/11/60/626561160.db2.gz RUQBUYJCTRXEKB-UHFFFAOYSA-N 1 1 295.398 3.294 20 10 CGCDMO COc1cc(C)cc(C[N@@H+]([C@H](C)C2CC2)C2CC2)c1O ZINC000754726042 626585108 /nfs/dbraw/zinc/58/51/08/626585108.db2.gz MAZYFUZSNKOHQM-GFCCVEGCSA-N 1 1 275.392 3.472 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)[C@@H](C)C2(C)CC2)c1O ZINC000754738938 626585869 /nfs/dbraw/zinc/58/58/69/626585869.db2.gz IKKLYFRZXJKSLL-LBPRGKRZSA-N 1 1 263.381 3.330 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000754739616 626585875 /nfs/dbraw/zinc/58/58/75/626585875.db2.gz FZAKXMFXSPYRTK-HOTGVXAUSA-N 1 1 289.419 3.258 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@@H](C)CCOC)cc1 ZINC000755893413 626656871 /nfs/dbraw/zinc/65/68/71/626656871.db2.gz SNTXVHXVRPSUDC-HNNXBMFYSA-N 1 1 278.440 3.390 20 10 CGCDMO CC(C)[N@H+](C)CCCN[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756396752 626700943 /nfs/dbraw/zinc/70/09/43/626700943.db2.gz JWBQSLVSTNHJHT-TZMCWYRMSA-N 1 1 294.414 3.400 20 10 CGCDMO CC(C)[N@@H+](C)CCCN[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756396752 626700945 /nfs/dbraw/zinc/70/09/45/626700945.db2.gz JWBQSLVSTNHJHT-TZMCWYRMSA-N 1 1 294.414 3.400 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2CCCC2)c1 ZINC000756455719 626706730 /nfs/dbraw/zinc/70/67/30/626706730.db2.gz AYLYWLLHAVMMOK-LLVKDONJSA-N 1 1 277.364 3.020 20 10 CGCDMO CC[N@H+](CCN[C@@H](C)c1cc(Cl)ccc1O)C(C)C ZINC000756526164 626711978 /nfs/dbraw/zinc/71/19/78/626711978.db2.gz SRMDXXRQRFNATF-LBPRGKRZSA-N 1 1 284.831 3.427 20 10 CGCDMO CC[N@@H+](CCN[C@@H](C)c1cc(Cl)ccc1O)C(C)C ZINC000756526164 626711981 /nfs/dbraw/zinc/71/19/81/626711981.db2.gz SRMDXXRQRFNATF-LBPRGKRZSA-N 1 1 284.831 3.427 20 10 CGCDMO CSc1cc(C[NH2+][C@H](C)c2ccc(F)cc2O)ccn1 ZINC000756665967 626725956 /nfs/dbraw/zinc/72/59/56/626725956.db2.gz XQDORGSSMNNAJH-SNVBAGLBSA-N 1 1 292.379 3.499 20 10 CGCDMO CCC[C@@H](CC)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000756681174 626726679 /nfs/dbraw/zinc/72/66/79/626726679.db2.gz HSXXRAIITAKFLY-WCQYABFASA-N 1 1 279.380 3.408 20 10 CGCDMO CCCC[N@@H+](CCC1(O)CCC1)Cc1ccccc1O ZINC000839592876 626763970 /nfs/dbraw/zinc/76/39/70/626763970.db2.gz DRPOTKWGUSSBEK-UHFFFAOYSA-N 1 1 277.408 3.299 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)[C@H](C)c2ccccn2)c(O)c1 ZINC000757876282 626812024 /nfs/dbraw/zinc/81/20/24/626812024.db2.gz PZUOOIPDRWKRQJ-CYBMUJFWSA-N 1 1 286.375 3.379 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C2CC2)c1O ZINC000761194244 627023830 /nfs/dbraw/zinc/02/38/30/627023830.db2.gz SBGFSDNDVUGZLG-ZDUSSCGKSA-N 1 1 281.783 3.429 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](C)C(C)(C)C2)c1 ZINC000761226271 627026806 /nfs/dbraw/zinc/02/68/06/627026806.db2.gz NZNIURJGSRIDMP-LBPRGKRZSA-N 1 1 263.381 3.269 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](C3CC3)C1)CCC2 ZINC000763332447 627152208 /nfs/dbraw/zinc/15/22/08/627152208.db2.gz MELJDABGIXAIBH-OAHLLOKOSA-N 1 1 257.377 3.113 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCOC1 ZINC000764140906 627196749 /nfs/dbraw/zinc/19/67/49/627196749.db2.gz QWNRZFUHJPXYCN-SFHVURJKSA-N 1 1 288.435 3.288 20 10 CGCDMO CCc1cc(C[N@H+]2CCOC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000766632848 627349325 /nfs/dbraw/zinc/34/93/25/627349325.db2.gz LVHSCKIXVZJRDY-CYBMUJFWSA-N 1 1 291.435 3.473 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](CCC(C)C)C1CC1 ZINC000768258155 627470581 /nfs/dbraw/zinc/47/05/81/627470581.db2.gz RBXQDUVNMYTOTM-UHFFFAOYSA-N 1 1 263.381 3.411 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](Cc2ccn(C)c2)C2CC2)cc1 ZINC000768256346 627471073 /nfs/dbraw/zinc/47/10/73/627471073.db2.gz CNLUYXNVMSOQBN-UHFFFAOYSA-N 1 1 283.419 3.256 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000768335407 627474253 /nfs/dbraw/zinc/47/42/53/627474253.db2.gz OIRWLVLKOCNWGV-UHFFFAOYSA-N 1 1 289.379 3.179 20 10 CGCDMO CC[N@H+](Cc1cc2c(cc1O)CCCC2)C[C@@H]1CCCO1 ZINC000768444813 627480550 /nfs/dbraw/zinc/48/05/50/627480550.db2.gz YSFYPFACFKUYCJ-KRWDZBQOSA-N 1 1 289.419 3.272 20 10 CGCDMO CCC[N@H+](Cc1ccc(N2CCOCC2)cc1)CC(C)C ZINC000768478819 627481798 /nfs/dbraw/zinc/48/17/98/627481798.db2.gz ONZCHGBHEYEUOK-UHFFFAOYSA-N 1 1 290.451 3.391 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](C)OC[C@H]2C)cc1 ZINC000768537116 627485218 /nfs/dbraw/zinc/48/52/18/627485218.db2.gz MNGXCONBYSOTOP-CABCVRRESA-N 1 1 276.424 3.142 20 10 CGCDMO COC(=O)CC[N@H+](Cc1cc(C)c(C)cc1O)CC(C)C ZINC000768853040 627504239 /nfs/dbraw/zinc/50/42/39/627504239.db2.gz IVBYEKIRRHDLKU-UHFFFAOYSA-N 1 1 293.407 3.030 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCCC(C)(C)C2)c1 ZINC000768891267 627506449 /nfs/dbraw/zinc/50/64/49/627506449.db2.gz IGVPWYCIBWGBTE-UHFFFAOYSA-N 1 1 263.381 3.413 20 10 CGCDMO COc1cccc(C[N@@H+](Cc2ccccn2)C(C)C)c1O ZINC000768927568 627509559 /nfs/dbraw/zinc/50/95/59/627509559.db2.gz YNAAEEUIWOHWMD-UHFFFAOYSA-N 1 1 286.375 3.206 20 10 CGCDMO Cc1ccc(O)c(C[NH+]2CCN(CCC(C)(C)C)CC2)c1 ZINC000768938156 627510461 /nfs/dbraw/zinc/51/04/61/627510461.db2.gz VZDHRAJYRKROFS-UHFFFAOYSA-N 1 1 290.451 3.254 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)C(C1CC1)C1CC1 ZINC000769192188 627530292 /nfs/dbraw/zinc/53/02/92/627530292.db2.gz HEDNLZXIGDPGFW-UHFFFAOYSA-N 1 1 261.365 3.021 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000769223760 627531585 /nfs/dbraw/zinc/53/15/85/627531585.db2.gz QRHRICJUCBDKJB-OLZOCXBDSA-N 1 1 263.381 3.411 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000769451554 627554490 /nfs/dbraw/zinc/55/44/90/627554490.db2.gz MXTYEQGCNISLNE-OLZOCXBDSA-N 1 1 263.381 3.269 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCCC13CCCCC3)OCO2 ZINC000769505690 627560914 /nfs/dbraw/zinc/56/09/14/627560914.db2.gz KMUNKKDEBQWJHI-UHFFFAOYSA-N 1 1 289.375 3.420 20 10 CGCDMO C[C@H]([NH2+][C@H](CO)c1ccsc1)c1cc(F)cc(F)c1O ZINC000769990663 627596027 /nfs/dbraw/zinc/59/60/27/627596027.db2.gz VVJYNLWLVMLXEA-ISVAXAHUSA-N 1 1 299.342 3.116 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000770371563 627615789 /nfs/dbraw/zinc/61/57/89/627615789.db2.gz AUSIVVABFPUVCE-IAGOWNOFSA-N 1 1 288.435 3.001 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000773747253 627910200 /nfs/dbraw/zinc/91/02/00/627910200.db2.gz RCUCPKWLMXWGJM-MRXNPFEDSA-N 1 1 298.434 3.245 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000773747253 627910205 /nfs/dbraw/zinc/91/02/05/627910205.db2.gz RCUCPKWLMXWGJM-MRXNPFEDSA-N 1 1 298.434 3.245 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000773747253 627910210 /nfs/dbraw/zinc/91/02/10/627910210.db2.gz RCUCPKWLMXWGJM-MRXNPFEDSA-N 1 1 298.434 3.245 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000773747251 627910469 /nfs/dbraw/zinc/91/04/69/627910469.db2.gz RCUCPKWLMXWGJM-INIZCTEOSA-N 1 1 298.434 3.245 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC000773747251 627910473 /nfs/dbraw/zinc/91/04/73/627910473.db2.gz RCUCPKWLMXWGJM-INIZCTEOSA-N 1 1 298.434 3.245 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC000773747251 627910479 /nfs/dbraw/zinc/91/04/79/627910479.db2.gz RCUCPKWLMXWGJM-INIZCTEOSA-N 1 1 298.434 3.245 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000773819098 627916731 /nfs/dbraw/zinc/91/67/31/627916731.db2.gz OEWLEBXTBLHGSU-MRXNPFEDSA-N 1 1 284.407 3.203 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000773819098 627916734 /nfs/dbraw/zinc/91/67/34/627916734.db2.gz OEWLEBXTBLHGSU-MRXNPFEDSA-N 1 1 284.407 3.203 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+](CCO)C2CCCCC2)c1O ZINC000775633828 628117072 /nfs/dbraw/zinc/11/70/72/628117072.db2.gz LRSAEBZWOBPNOL-UHFFFAOYSA-N 1 1 297.826 3.481 20 10 CGCDMO COc1cc(C[N@@H+]2CC=CCC2)c(O)c(C(C)(C)C)c1 ZINC000778577608 628358768 /nfs/dbraw/zinc/35/87/68/628358768.db2.gz SUHLIJHNFPPYHY-UHFFFAOYSA-N 1 1 275.392 3.460 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000778996860 628382244 /nfs/dbraw/zinc/38/22/44/628382244.db2.gz USAGVQYHZFVGFZ-HNNXBMFYSA-N 1 1 272.323 3.263 20 10 CGCDMO COc1cc2c(cc1F)C[N@@H+](Cc1ccccc1O)CC2 ZINC000779115790 628389164 /nfs/dbraw/zinc/38/91/64/628389164.db2.gz IJBAQKYPFQULNA-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO Cc1cc(Cl)cc(C[NH2+]CC2(C)CC[NH+](C)CC2)c1[O-] ZINC000780781202 628517537 /nfs/dbraw/zinc/51/75/37/628517537.db2.gz HQLMBDBMWYBOKI-UHFFFAOYSA-N 1 1 296.842 3.176 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)c1O ZINC000783738362 628744270 /nfs/dbraw/zinc/74/42/70/628744270.db2.gz SDDNAQLSNRFMGO-SRVKXCTJSA-N 1 1 283.799 3.352 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)c1O ZINC000783738362 628744275 /nfs/dbraw/zinc/74/42/75/628744275.db2.gz SDDNAQLSNRFMGO-SRVKXCTJSA-N 1 1 283.799 3.352 20 10 CGCDMO CC[C@]1(C)C[N@@H+](Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000785511907 628868414 /nfs/dbraw/zinc/86/84/14/628868414.db2.gz MPBQVTRIPZECSD-GOSISDBHSA-N 1 1 289.419 3.272 20 10 CGCDMO COc1ccc(C[NH2+]CCc2ccc3cn[nH]c3c2)cc1C ZINC000790617656 629220648 /nfs/dbraw/zinc/22/06/48/629220648.db2.gz BMDCHCFQLQEDMC-UHFFFAOYSA-N 1 1 295.386 3.212 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC=C(C)C)c1 ZINC000790683023 629225395 /nfs/dbraw/zinc/22/53/95/629225395.db2.gz LDIRDVHDFNANFE-LBPRGKRZSA-N 1 1 277.364 3.186 20 10 CGCDMO C[C@@H]1CCC[C@@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790960544 629243831 /nfs/dbraw/zinc/24/38/31/629243831.db2.gz VTCGYQBQFROASU-KCJUWKMLSA-N 1 1 257.736 3.463 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCNc1ccccc1 ZINC000790972875 629244766 /nfs/dbraw/zinc/24/47/66/629244766.db2.gz IWLNZDDKUKGIRO-UHFFFAOYSA-N 1 1 294.757 3.386 20 10 CGCDMO C[C@H](C[C@H]1CCOC1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790976845 629245397 /nfs/dbraw/zinc/24/53/97/629245397.db2.gz MYAOVKWAADHXFR-NXEZZACHSA-N 1 1 287.762 3.089 20 10 CGCDMO Oc1cccc(Br)c1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000862249859 629331008 /nfs/dbraw/zinc/33/10/08/629331008.db2.gz FKLLCOGSZXVALP-LLVKDONJSA-N 1 1 296.208 3.387 20 10 CGCDMO Cc1ccc2c(c1)CC[N@H+](Cc1cc(F)ccc1O)C2 ZINC000792178314 629344638 /nfs/dbraw/zinc/34/46/38/629344638.db2.gz BPJRSENFIXKHFD-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO CO[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)CC[C@@H]1C ZINC000792180386 629345710 /nfs/dbraw/zinc/34/57/10/629345710.db2.gz QZTPCWAXEPSXOM-TVQRCGJNSA-N 1 1 287.762 3.042 20 10 CGCDMO CO[C@@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)CC[C@@H]1C ZINC000792180386 629345716 /nfs/dbraw/zinc/34/57/16/629345716.db2.gz QZTPCWAXEPSXOM-TVQRCGJNSA-N 1 1 287.762 3.042 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCc3cc(C)ccc3C2)c1 ZINC000792180650 629345973 /nfs/dbraw/zinc/34/59/73/629345973.db2.gz NCMHWCCIJBPXKF-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO CC[C@@H]1CC[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862372836 629356081 /nfs/dbraw/zinc/35/60/81/629356081.db2.gz BOJVLSFNZFWQLY-LLVKDONJSA-N 1 1 254.324 3.015 20 10 CGCDMO CC[C@@H]1CC[N@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862372836 629356085 /nfs/dbraw/zinc/35/60/85/629356085.db2.gz BOJVLSFNZFWQLY-LLVKDONJSA-N 1 1 254.324 3.015 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)c1O ZINC000862483149 629386674 /nfs/dbraw/zinc/38/66/74/629386674.db2.gz PKNIVPLXFRHQBB-IBGZPJMESA-N 1 1 297.398 3.184 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCc2c(O)cccc2C1 ZINC000862529522 629391749 /nfs/dbraw/zinc/39/17/49/629391749.db2.gz MLWOWLRNTSIXHA-UHFFFAOYSA-N 1 1 296.414 3.325 20 10 CGCDMO Cc1ccncc1C[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000793339320 629444897 /nfs/dbraw/zinc/44/48/97/629444897.db2.gz ZUYBDABFONBYHG-UHFFFAOYSA-N 1 1 287.382 3.227 20 10 CGCDMO COc1cc(C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c(O)cc1C ZINC000863272336 629518673 /nfs/dbraw/zinc/51/86/73/629518673.db2.gz AASGCHDBPREQRO-TXEJJXNPSA-N 1 1 299.361 3.432 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+](CC2CC2)C2CCC2)c1[O-] ZINC000796578237 629802564 /nfs/dbraw/zinc/80/25/64/629802564.db2.gz UISJHADYHXKROS-UHFFFAOYSA-N 1 1 291.366 3.498 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+](CC2CC2)C2CCC2)c1O ZINC000796578237 629802567 /nfs/dbraw/zinc/80/25/67/629802567.db2.gz UISJHADYHXKROS-UHFFFAOYSA-N 1 1 291.366 3.498 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+](CC2CC2)C2CCC2)c1O ZINC000796578237 629802571 /nfs/dbraw/zinc/80/25/71/629802571.db2.gz UISJHADYHXKROS-UHFFFAOYSA-N 1 1 291.366 3.498 20 10 CGCDMO CC[C@H]([NH2+][C@H](COC)C(C)C)c1ccc(F)cc1O ZINC000796789535 629834961 /nfs/dbraw/zinc/83/49/61/629834961.db2.gz VFKJXQOGAKPLBE-UONOGXRCSA-N 1 1 269.360 3.243 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H](OC)C(F)(F)F)c1ccc(F)cc1O ZINC000796871206 629852089 /nfs/dbraw/zinc/85/20/89/629852089.db2.gz DUXYVCPNYFTQSR-PWSUYJOCSA-N 1 1 295.276 3.149 20 10 CGCDMO CC[C@H]([NH2+]CCOCC1CCC1)c1ccc(F)cc1O ZINC000796940867 629862249 /nfs/dbraw/zinc/86/22/49/629862249.db2.gz JEMDYSDXQHVRPM-HNNXBMFYSA-N 1 1 281.371 3.389 20 10 CGCDMO CC[C@H]([NH2+]CC1(CO)CCCC1)c1ccc(F)cc1O ZINC000796945131 629863285 /nfs/dbraw/zinc/86/32/85/629863285.db2.gz MIXAJBXQXMMFER-AWEZNQCLSA-N 1 1 281.371 3.125 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1ccc(F)cc1O ZINC000797064649 629880473 /nfs/dbraw/zinc/88/04/73/629880473.db2.gz HRVSOGNGQPPUCW-TVYUQYBPSA-N 1 1 269.385 3.324 20 10 CGCDMO CC1=CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000797822757 629988292 /nfs/dbraw/zinc/98/82/92/629988292.db2.gz RAICMPMNWKBYEI-UHFFFAOYSA-N 1 1 254.333 3.092 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H](CO)CC1CCCC1)c1ccc(F)cc1O ZINC000798936575 630126813 /nfs/dbraw/zinc/12/68/13/630126813.db2.gz BUPBKHFDDZMZGU-OCCSQVGLSA-N 1 1 295.398 3.371 20 10 CGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@H](CC)C(=O)OCC ZINC000801598551 630346744 /nfs/dbraw/zinc/34/67/44/630346744.db2.gz CAJBCBCYASGHGT-OAHLLOKOSA-N 1 1 293.407 3.336 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)CC1=CCCOC1 ZINC000802657568 630403110 /nfs/dbraw/zinc/40/31/10/630403110.db2.gz JFQOAGJNSSJRHH-UHFFFAOYSA-N 1 1 275.392 3.341 20 10 CGCDMO COC[C@@]1(C)CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000840106364 630596337 /nfs/dbraw/zinc/59/63/37/630596337.db2.gz UKVIWYFZOGRREI-SFHVURJKSA-N 1 1 289.419 3.129 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](N3CCCC3)[C@H]2C)c1 ZINC000808193004 630630628 /nfs/dbraw/zinc/63/06/28/630630628.db2.gz TZVMMGOUNUEIQU-NVXWUHKLSA-N 1 1 288.435 3.068 20 10 CGCDMO Cc1cc(C)c(O)c(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000808193004 630630632 /nfs/dbraw/zinc/63/06/32/630630632.db2.gz TZVMMGOUNUEIQU-NVXWUHKLSA-N 1 1 288.435 3.068 20 10 CGCDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000809693689 630784488 /nfs/dbraw/zinc/78/44/88/630784488.db2.gz YMVLFZVWQKNTJZ-HDICACEKSA-N 1 1 288.435 3.286 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCOc3ccc(C)cc3C2)c1 ZINC000809704239 630787459 /nfs/dbraw/zinc/78/74/59/630787459.db2.gz WXTULIHHZADUJC-UHFFFAOYSA-N 1 1 299.370 3.104 20 10 CGCDMO C[C@]1(CCCO)CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000809757154 630801049 /nfs/dbraw/zinc/80/10/49/630801049.db2.gz KCADRPPMVIKUOR-OAHLLOKOSA-N 1 1 283.799 3.173 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](C)Cc2ccccc2N(C)C)c1 ZINC000809787512 630808781 /nfs/dbraw/zinc/80/87/81/630808781.db2.gz GMVYUOMGDYWNRM-UHFFFAOYSA-N 1 1 284.403 3.399 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+](C)Cc1cccc(O)c1 ZINC000876511867 634848872 /nfs/dbraw/zinc/84/88/72/634848872.db2.gz VVOFFSDNZQLAPA-UHFFFAOYSA-N 1 1 257.333 3.038 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2c(C)cccc2O)c1 ZINC000876533226 634851942 /nfs/dbraw/zinc/85/19/42/634851942.db2.gz QAUFBTTZUSOIDF-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccccc2O)Cc2ccccc2O1 ZINC000814177612 631538088 /nfs/dbraw/zinc/53/80/88/631538088.db2.gz IJRWROUDVGVMJE-ZDUSSCGKSA-N 1 1 269.344 3.175 20 10 CGCDMO CSC[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000814179635 631540551 /nfs/dbraw/zinc/54/05/51/631540551.db2.gz WXNGEVVXANWNSU-CYBMUJFWSA-N 1 1 265.422 3.276 20 10 CGCDMO CCC[C@]1(CO)CCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815103348 631718084 /nfs/dbraw/zinc/71/80/84/631718084.db2.gz RYYQZPISOHFCCQ-GOSISDBHSA-N 1 1 290.451 3.188 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@]3(C2)CCCOC3)ccc1N(C)C ZINC000815112965 631719421 /nfs/dbraw/zinc/71/94/21/631719421.db2.gz JTXDIYIDSNDHRU-SFHVURJKSA-N 1 1 288.435 3.064 20 10 CGCDMO CC[C@@H]([NH2+]CC(C)(F)F)c1ccc(N(C)C)cc1 ZINC000815645049 631811277 /nfs/dbraw/zinc/81/12/77/631811277.db2.gz SZRQFIWYZIVPTC-CYBMUJFWSA-N 1 1 256.340 3.449 20 10 CGCDMO C[N@@H+](Cc1ccc2ccccc2c1O)[C@H]1CCSC1 ZINC000816485468 631989939 /nfs/dbraw/zinc/98/99/39/631989939.db2.gz NZVWHLZPNTUPAW-AWEZNQCLSA-N 1 1 273.401 3.483 20 10 CGCDMO COCCC[N@@H+](C)Cc1ccc2ccccc2c1O ZINC000816497414 631994192 /nfs/dbraw/zinc/99/41/92/631994192.db2.gz ANWKOOGOXZSBDT-UHFFFAOYSA-N 1 1 259.349 3.014 20 10 CGCDMO C[C@H]1CSCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816512128 631997259 /nfs/dbraw/zinc/99/72/59/631997259.db2.gz XWMDFTBRFPVVOZ-QMMMGPOBSA-N 1 1 275.776 3.122 20 10 CGCDMO C[N@@H+](Cc1ccc2ccccc2c1O)CC1(O)CCCC1 ZINC000816513347 632000933 /nfs/dbraw/zinc/00/09/33/632000933.db2.gz NVVCULTZGVAHJV-UHFFFAOYSA-N 1 1 285.387 3.282 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000816516746 632002113 /nfs/dbraw/zinc/00/21/13/632002113.db2.gz ORFQMTARLAOKPU-SNVBAGLBSA-N 1 1 269.747 3.417 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000816516746 632002117 /nfs/dbraw/zinc/00/21/17/632002117.db2.gz ORFQMTARLAOKPU-SNVBAGLBSA-N 1 1 269.747 3.417 20 10 CGCDMO Cc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cn1 ZINC000816536043 632006100 /nfs/dbraw/zinc/00/61/00/632006100.db2.gz KDQMYQRAEIRPAX-UHFFFAOYSA-N 1 1 280.730 3.178 20 10 CGCDMO CC1(C)SC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816600584 632021152 /nfs/dbraw/zinc/02/11/52/632021152.db2.gz BYPSETJYCPYTAP-NSHDSACASA-N 1 1 275.776 3.168 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](O)CC23CCC3)cc1 ZINC000817291087 632116911 /nfs/dbraw/zinc/11/69/11/632116911.db2.gz MSQJKXDIXGTRCD-QGZVFWFLSA-N 1 1 288.435 3.022 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](O)CC23CCC3)cc1 ZINC000817291085 632117756 /nfs/dbraw/zinc/11/77/56/632117756.db2.gz MSQJKXDIXGTRCD-KRWDZBQOSA-N 1 1 288.435 3.022 20 10 CGCDMO CCNCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000817952154 632248080 /nfs/dbraw/zinc/24/80/80/632248080.db2.gz OFFPFBKSRVNQBY-GOSISDBHSA-N 1 1 298.430 3.265 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)N[C@H](C[NH3+])CC(C)C)cc1 ZINC000817958153 632253859 /nfs/dbraw/zinc/25/38/59/632253859.db2.gz IKKJUZXBCMABOP-ZBFHGGJFSA-N 1 1 277.456 3.167 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1[O-] ZINC000817962002 632257341 /nfs/dbraw/zinc/25/73/41/632257341.db2.gz GFLLTRNUVQMYHV-CABZTGNLSA-N 1 1 290.329 3.047 20 10 CGCDMO C[C@H](NCC1([NH3+])CCC1)c1ccc(N2CCCCC2)cc1 ZINC000817965687 632260564 /nfs/dbraw/zinc/26/05/64/632260564.db2.gz ZEPLXDYLTGTAQJ-HNNXBMFYSA-N 1 1 287.451 3.209 20 10 CGCDMO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(C)cc1O ZINC000818614454 632341755 /nfs/dbraw/zinc/34/17/55/632341755.db2.gz AXOSFQCZPBUORP-RBSFLKMASA-N 1 1 262.397 3.011 20 10 CGCDMO CCC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000866414312 633127641 /nfs/dbraw/zinc/12/76/41/633127641.db2.gz CYDCDDVELIOHFS-JQWIXIFHSA-N 1 1 271.788 3.247 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1ccc(F)cc1O ZINC000866615966 633215688 /nfs/dbraw/zinc/21/56/88/633215688.db2.gz YAHFZOMRMNWTSS-GXFFZTMASA-N 1 1 277.343 3.067 20 10 CGCDMO Cc1cc(C)c(CN(C)c2ccc(N)cc2)c(C)[nH+]1 ZINC000866668104 633229579 /nfs/dbraw/zinc/22/95/79/633229579.db2.gz JOJMQESDJQQYFK-UHFFFAOYSA-N 1 1 255.365 3.225 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)C[C@@H]2CCCCO2)cc1Cl ZINC000824610436 633264215 /nfs/dbraw/zinc/26/42/15/633264215.db2.gz MNELBTCLFUYANG-ZDUSSCGKSA-N 1 1 283.799 3.355 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC[C@@H](OC)C(C)(C)C2)c(O)c1 ZINC000824821273 633296573 /nfs/dbraw/zinc/29/65/73/633296573.db2.gz XJAJNQGJMUBTAX-MRXNPFEDSA-N 1 1 293.407 3.038 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000876584896 634862458 /nfs/dbraw/zinc/86/24/58/634862458.db2.gz RYYHHKPDKIFNMY-INIZCTEOSA-N 1 1 268.360 3.433 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)[C@@H](CO)C(C)(C)C)cc1Cl ZINC000824905784 633303897 /nfs/dbraw/zinc/30/38/97/633303897.db2.gz CXWBHFKQXXFLDJ-AWEZNQCLSA-N 1 1 285.815 3.193 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c1 ZINC000824940721 633309226 /nfs/dbraw/zinc/30/92/26/633309226.db2.gz BFKZZNXWWSEJLG-DOTOQJQBSA-N 1 1 273.376 3.021 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCC[C@H]1CCOC1 ZINC000825143701 633332118 /nfs/dbraw/zinc/33/21/18/633332118.db2.gz ICOSKEYVVUMLHY-JTQLQIEISA-N 1 1 287.762 3.091 20 10 CGCDMO CC1(C)C[N@@H+](Cc2ccc3ccccc3c2O)[C@@H]2COC[C@@H]21 ZINC000825332501 633346965 /nfs/dbraw/zinc/34/69/65/633346965.db2.gz ZAWRSFYTICFQFL-DLBZAZTESA-N 1 1 297.398 3.402 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)[C@H]2CC[C@H](O)CC2)cc1Cl ZINC000825634933 633369036 /nfs/dbraw/zinc/36/90/36/633369036.db2.gz SHNBWNQZNGFKRA-JOCQHMNTSA-N 1 1 283.799 3.089 20 10 CGCDMO C[C@@]1(C2CC2)C[N@@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000826878012 633439906 /nfs/dbraw/zinc/43/99/06/633439906.db2.gz QJQSUUDUHKINRJ-HNNXBMFYSA-N 1 1 281.783 3.047 20 10 CGCDMO Oc1ccc(F)cc1CN[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000827261129 633476046 /nfs/dbraw/zinc/47/60/46/633476046.db2.gz VLGKSEFEVCIILR-OAHLLOKOSA-N 1 1 292.398 3.028 20 10 CGCDMO Oc1ccc(F)cc1CN[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000827261129 633476048 /nfs/dbraw/zinc/47/60/48/633476048.db2.gz VLGKSEFEVCIILR-OAHLLOKOSA-N 1 1 292.398 3.028 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+](C)CC2=CCSC2)c1O ZINC000827806088 633520197 /nfs/dbraw/zinc/52/01/97/633520197.db2.gz NQYBMYVJKFMSNC-UHFFFAOYSA-N 1 1 299.823 3.159 20 10 CGCDMO Oc1ccccc1C[N@@H+](Cc1cnns1)C1CCCC1 ZINC000827813200 633521301 /nfs/dbraw/zinc/52/13/01/633521301.db2.gz NZVGZLZOGXXVQN-UHFFFAOYSA-N 1 1 289.404 3.189 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@H](O)CCC ZINC000829515782 633746370 /nfs/dbraw/zinc/74/63/70/633746370.db2.gz IMEZDTXJVJDJBA-OAHLLOKOSA-N 1 1 265.397 3.155 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](SC)C2)cc1 ZINC000830890572 633894721 /nfs/dbraw/zinc/89/47/21/633894721.db2.gz ZZZHUQKTMPTYHO-HNNXBMFYSA-N 1 1 264.438 3.080 20 10 CGCDMO CCC[C@H](C)[C@H](CO)[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000846185335 636155841 /nfs/dbraw/zinc/15/58/41/636155841.db2.gz UVBWNDIFTHSWKZ-GLQYFDAESA-N 1 1 283.387 3.369 20 10 CGCDMO COc1cccc([C@@H](C)[NH2+]Cc2ncc(Cl)s2)c1O ZINC000872112095 634036963 /nfs/dbraw/zinc/03/69/63/634036963.db2.gz HKRMTDYSVGSDJK-MRVPVSSYSA-N 1 1 298.795 3.362 20 10 CGCDMO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)c2c1c(F)ccc2[O-] ZINC000873240283 634297914 /nfs/dbraw/zinc/29/79/14/634297914.db2.gz NGKFWGXKUDXHQC-MNXVOIDGSA-N 1 1 292.398 3.187 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)c1[O-] ZINC000873272411 634314296 /nfs/dbraw/zinc/31/42/96/634314296.db2.gz RXFHIAWOZOIQHI-RYUDHWBXSA-N 1 1 296.842 3.393 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)CC2(O)CCCC2)cc1 ZINC000835025644 634324651 /nfs/dbraw/zinc/32/46/51/634324651.db2.gz IKSJECBQOJYSIY-SREVYHEPSA-N 1 1 288.435 3.003 20 10 CGCDMO CCOC[C@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835030019 634325718 /nfs/dbraw/zinc/32/57/18/634325718.db2.gz YTZVTYHALZMAFX-RTRPANQVSA-N 1 1 288.435 3.124 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)Cc2cccnc2)cc1 ZINC000835044529 634331311 /nfs/dbraw/zinc/33/13/11/634331311.db2.gz LKKRXNXWZDSLRN-ALCCZGGFSA-N 1 1 281.403 3.293 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+]2CCc3ncsc3C2)cc1 ZINC000835044576 634331398 /nfs/dbraw/zinc/33/13/98/634331398.db2.gz AKMRRYZCEKWNBF-ARJAWSKDSA-N 1 1 299.443 3.281 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCc3ncsc3C2)cc1 ZINC000835044576 634331400 /nfs/dbraw/zinc/33/14/00/634331400.db2.gz AKMRRYZCEKWNBF-ARJAWSKDSA-N 1 1 299.443 3.281 20 10 CGCDMO C[C@@H]1CCCC[N@@H+]1CCCNCc1ccc(N(C)C)cc1 ZINC000019912842 634375935 /nfs/dbraw/zinc/37/59/35/634375935.db2.gz PWRLKIUCCHZPOY-MRXNPFEDSA-N 1 1 289.467 3.107 20 10 CGCDMO C[C@@H]1CCCC[N@H+]1CCCNCc1ccc(N(C)C)cc1 ZINC000019912842 634375944 /nfs/dbraw/zinc/37/59/44/634375944.db2.gz PWRLKIUCCHZPOY-MRXNPFEDSA-N 1 1 289.467 3.107 20 10 CGCDMO CC[N@@H+](CCc1ccccn1)Cc1ccc(C)cc1O ZINC000876635349 634872834 /nfs/dbraw/zinc/87/28/34/634872834.db2.gz VKKANNRLSWOQKU-UHFFFAOYSA-N 1 1 270.376 3.160 20 10 CGCDMO CCCO[C@H]1CCC[N@@H+](Cc2c(C)cccc2O)CC1 ZINC000876719897 634885862 /nfs/dbraw/zinc/88/58/62/634885862.db2.gz AMDLSRVDDZJZMT-HNNXBMFYSA-N 1 1 277.408 3.482 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000877139799 634999994 /nfs/dbraw/zinc/99/99/94/634999994.db2.gz AKZVPUONKNIBST-INIZCTEOSA-N 1 1 275.392 3.092 20 10 CGCDMO Cc1ccc(C[N@H+](C)[C@H](C)c2cccnc2)c(O)c1 ZINC000877317135 635024611 /nfs/dbraw/zinc/02/46/11/635024611.db2.gz HEQQSBAOZYJVCD-CYBMUJFWSA-N 1 1 256.349 3.289 20 10 CGCDMO Cc1cc(O)c(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000840881631 635072793 /nfs/dbraw/zinc/07/27/93/635072793.db2.gz PBOQHDHPKLGXIX-CHWSQXEVSA-N 1 1 294.826 3.070 20 10 CGCDMO C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1csnn1 ZINC000840886185 635074041 /nfs/dbraw/zinc/07/40/41/635074041.db2.gz QYBGWSXPLUKTMB-KHQFGBGNSA-N 1 1 293.367 3.282 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000877536300 635077197 /nfs/dbraw/zinc/07/71/97/635077197.db2.gz NDKODICPTZQTBT-UHFFFAOYSA-N 1 1 297.354 3.074 20 10 CGCDMO CC[N@@H+](Cc1ccc(C)cc1O)[C@@H]1CCOC(C)(C)C1 ZINC000877538569 635078162 /nfs/dbraw/zinc/07/81/62/635078162.db2.gz DTCXXNVKQBTBIF-OAHLLOKOSA-N 1 1 277.408 3.480 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C[C@H]2CCOC2)C2CC2)c(Cl)c1 ZINC000840910543 635080177 /nfs/dbraw/zinc/08/01/77/635080177.db2.gz OYFBJJKGGZBREC-GFCCVEGCSA-N 1 1 295.810 3.355 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000840911349 635080902 /nfs/dbraw/zinc/08/09/02/635080902.db2.gz XBQOKVJLPAVYCG-MRXNPFEDSA-N 1 1 298.434 3.164 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000840911349 635080906 /nfs/dbraw/zinc/08/09/06/635080906.db2.gz XBQOKVJLPAVYCG-MRXNPFEDSA-N 1 1 298.434 3.164 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000840911349 635080910 /nfs/dbraw/zinc/08/09/10/635080910.db2.gz XBQOKVJLPAVYCG-MRXNPFEDSA-N 1 1 298.434 3.164 20 10 CGCDMO CC[N@H+](Cc1ccc(N(C)C)cc1C)C[C@H]1CCCO1 ZINC000840911664 635081242 /nfs/dbraw/zinc/08/12/42/635081242.db2.gz MAYFVGAVKYFFLT-QGZVFWFLSA-N 1 1 276.424 3.062 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCCOC(C)(C)C2)c(Cl)c1 ZINC000840918257 635082922 /nfs/dbraw/zinc/08/29/22/635082922.db2.gz QTVYGSJHZSQYNY-UHFFFAOYSA-N 1 1 283.799 3.355 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C)[C@H](C)C1 ZINC000840942447 635088398 /nfs/dbraw/zinc/08/83/98/635088398.db2.gz ODDVUBOSLLOQLD-RHSMWYFYSA-N 1 1 276.424 3.060 20 10 CGCDMO CCN(CC)c1ccc(C[NH2+]Cc2ccn(CC)n2)cc1 ZINC000840956079 635093024 /nfs/dbraw/zinc/09/30/24/635093024.db2.gz JMRCUNXEFBDOEV-UHFFFAOYSA-N 1 1 286.423 3.039 20 10 CGCDMO Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c(O)c1 ZINC000877564051 635093043 /nfs/dbraw/zinc/09/30/43/635093043.db2.gz WRXLQARGXFHYJZ-ZACQAIPSSA-N 1 1 289.419 3.216 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC3(CCOCC3)[C@@H]2C(C)C)c1 ZINC000840969086 635095691 /nfs/dbraw/zinc/09/56/91/635095691.db2.gz HWJSXDVPKYFEPR-KRWDZBQOSA-N 1 1 289.419 3.338 20 10 CGCDMO COC1([C@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)CCC1 ZINC000840970882 635097405 /nfs/dbraw/zinc/09/74/05/635097405.db2.gz ZCJOHDJAGZBDOA-VIFPVBQESA-N 1 1 287.762 3.232 20 10 CGCDMO Oc1ccc(Cl)cc1C[NH2+]Cc1nnc(C2CC2)s1 ZINC000840973712 635098165 /nfs/dbraw/zinc/09/81/65/635098165.db2.gz SVGYQNACHUGUFO-UHFFFAOYSA-N 1 1 295.795 3.064 20 10 CGCDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccc(C)cc1O ZINC000877584856 635102378 /nfs/dbraw/zinc/10/23/78/635102378.db2.gz JUIKEGFGMGRUCY-OAHLLOKOSA-N 1 1 263.381 3.092 20 10 CGCDMO Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C(C)C)c(O)c1 ZINC000877590698 635105314 /nfs/dbraw/zinc/10/53/14/635105314.db2.gz DVPFRBMUTMPEKE-KRWDZBQOSA-N 1 1 289.419 3.338 20 10 CGCDMO CCCn1nc(C)c(C[N@@H+]2Cc3cccc(O)c3C2)c1C ZINC000877703005 635154230 /nfs/dbraw/zinc/15/42/30/635154230.db2.gz OBSGUXNWTARANQ-UHFFFAOYSA-N 1 1 285.391 3.131 20 10 CGCDMO CCCn1nc(C)c(C[N@H+]2Cc3cccc(O)c3C2)c1C ZINC000877703005 635154233 /nfs/dbraw/zinc/15/42/33/635154233.db2.gz OBSGUXNWTARANQ-UHFFFAOYSA-N 1 1 285.391 3.131 20 10 CGCDMO COc1cc(F)cc(C[N@@H+]2Cc3cccc(O)c3C2)c1 ZINC000877703106 635155808 /nfs/dbraw/zinc/15/58/08/635155808.db2.gz RQPJTBXMDVXFID-UHFFFAOYSA-N 1 1 273.307 3.056 20 10 CGCDMO COc1cc(F)cc(C[N@H+]2Cc3cccc(O)c3C2)c1 ZINC000877703106 635155810 /nfs/dbraw/zinc/15/58/10/635155810.db2.gz RQPJTBXMDVXFID-UHFFFAOYSA-N 1 1 273.307 3.056 20 10 CGCDMO CCC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841755787 635230113 /nfs/dbraw/zinc/23/01/13/635230113.db2.gz RXYXUTBAHCUWLE-NWDGAFQWSA-N 1 1 285.815 3.495 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1COCc2ccccc21)c1ccc(F)cc1O ZINC000841758420 635230948 /nfs/dbraw/zinc/23/09/48/635230948.db2.gz AUNIRQQBCSGTSA-BDJLRTHQSA-N 1 1 287.334 3.453 20 10 CGCDMO C=C/C=C/CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000877922773 635272377 /nfs/dbraw/zinc/27/23/77/635272377.db2.gz GUCHXMXKUNDMIU-SNAWJCMRSA-N 1 1 286.419 3.087 20 10 CGCDMO CCC[N@@H+](CC[C@@H](O)C(C)C)Cc1ccccc1O ZINC000878150641 635379225 /nfs/dbraw/zinc/37/92/25/635379225.db2.gz GQLZMHGRXIYFPF-OAHLLOKOSA-N 1 1 265.397 3.011 20 10 CGCDMO CCC[N@@H+](Cc1nocc1C)Cc1ccccc1O ZINC000878150907 635379923 /nfs/dbraw/zinc/37/99/23/635379923.db2.gz KKUPGJJOYYZTCV-UHFFFAOYSA-N 1 1 260.337 3.101 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC3(CCC3)C2)cc1F ZINC000127147934 635524570 /nfs/dbraw/zinc/52/45/70/635524570.db2.gz TUOMJTQHXQAKCV-UHFFFAOYSA-N 1 1 262.372 3.268 20 10 CGCDMO CCC[N@@H+](Cc1cccc(Cl)c1[O-])C1CC[NH2+]CC1 ZINC000843044948 635549558 /nfs/dbraw/zinc/54/95/58/635549558.db2.gz NJPNAYXQBFMXTJ-UHFFFAOYSA-N 1 1 282.815 3.010 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CC2(CCC2)O1 ZINC000843435129 635675684 /nfs/dbraw/zinc/67/56/84/635675684.db2.gz IGCSEKIWBXSQLN-LLVKDONJSA-N 1 1 281.783 3.189 20 10 CGCDMO CC[N@@H+](CCSC)Cc1c(O)cccc1Cl ZINC000843437669 635675950 /nfs/dbraw/zinc/67/59/50/635675950.db2.gz UHNZJUWBCAOXQM-UHFFFAOYSA-N 1 1 259.802 3.231 20 10 CGCDMO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1nc(C2CC2)no1 ZINC000879649003 635826236 /nfs/dbraw/zinc/82/62/36/635826236.db2.gz IUZCFWKHDWOGBT-NXEZZACHSA-N 1 1 273.336 3.064 20 10 CGCDMO COc1ccc(N(C)CC[N@@H+](C)[C@H](C)c2ccncc2)cc1 ZINC000844400627 635890582 /nfs/dbraw/zinc/89/05/82/635890582.db2.gz DTMKAUVRXWWFEU-OAHLLOKOSA-N 1 1 299.418 3.219 20 10 CGCDMO COc1ccc(N(C)CC[N@@H+](C)CC2CC(F)(F)C2)cc1 ZINC000844402208 635891494 /nfs/dbraw/zinc/89/14/94/635891494.db2.gz PULPNLAABRPWAY-UHFFFAOYSA-N 1 1 298.377 3.109 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c1O ZINC000844746972 635958442 /nfs/dbraw/zinc/95/84/42/635958442.db2.gz QLOWFUKKXIFXIJ-HNNXBMFYSA-N 1 1 297.345 3.330 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](CC)OC[C@H]2CC)c1 ZINC000846028010 636132076 /nfs/dbraw/zinc/13/20/76/636132076.db2.gz UCMZECVAGSYDIW-CABCVRRESA-N 1 1 293.407 3.180 20 10 CGCDMO C[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C2(CCC2)CO1 ZINC000846067233 636140530 /nfs/dbraw/zinc/14/05/30/636140530.db2.gz PEDCOGQSCNIJKJ-ZDUSSCGKSA-N 1 1 292.398 3.035 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C2(CCC2)CO1 ZINC000846067233 636140532 /nfs/dbraw/zinc/14/05/32/636140532.db2.gz PEDCOGQSCNIJKJ-ZDUSSCGKSA-N 1 1 292.398 3.035 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C2(CCC2)CO1 ZINC000846067551 636140593 /nfs/dbraw/zinc/14/05/93/636140593.db2.gz SVBZBAPUIKAFST-LLVKDONJSA-N 1 1 281.783 3.189 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C2(CCC2)CO1 ZINC000846067551 636140594 /nfs/dbraw/zinc/14/05/94/636140594.db2.gz SVBZBAPUIKAFST-LLVKDONJSA-N 1 1 281.783 3.189 20 10 CGCDMO CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000846178460 636153505 /nfs/dbraw/zinc/15/35/05/636153505.db2.gz VXEVVHKPNWNXQT-CYBMUJFWSA-N 1 1 282.403 3.160 20 10 CGCDMO CC(C)C[N@H+](C)CCCN[C@H](C)c1cc(F)ccc1O ZINC000846178460 636153508 /nfs/dbraw/zinc/15/35/08/636153508.db2.gz VXEVVHKPNWNXQT-CYBMUJFWSA-N 1 1 282.403 3.160 20 10 CGCDMO CC(C)C[N@@H+](C)CCCN[C@H](C)c1cc(F)ccc1O ZINC000846178460 636153510 /nfs/dbraw/zinc/15/35/10/636153510.db2.gz VXEVVHKPNWNXQT-CYBMUJFWSA-N 1 1 282.403 3.160 20 10 CGCDMO CCOc1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000882921627 636463919 /nfs/dbraw/zinc/46/39/19/636463919.db2.gz LYWKILJKMQBHJU-UHFFFAOYSA-N 1 1 293.313 3.359 20 10 CGCDMO CCc1cnc(CC[NH2+]Cc2cc(F)cc(F)c2O)s1 ZINC000883020361 636509891 /nfs/dbraw/zinc/50/98/91/636509891.db2.gz AXSUCQCADOQDLQ-UHFFFAOYSA-N 1 1 298.358 3.022 20 10 CGCDMO CC(C)OC1CCC([NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000883074862 636530311 /nfs/dbraw/zinc/53/03/11/636530311.db2.gz LKMSYKQBHCVQDE-UHFFFAOYSA-N 1 1 299.361 3.496 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000883108999 636543002 /nfs/dbraw/zinc/54/30/02/636543002.db2.gz AXOQALLCGAHPEB-QMMMGPOBSA-N 1 1 277.261 3.195 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000883184044 636571085 /nfs/dbraw/zinc/57/10/85/636571085.db2.gz OALJYDPIZIGAFG-MRVPVSSYSA-N 1 1 296.144 3.344 20 10 CGCDMO COc1ccc2c(c1)C[N@@H+](Cc1cc(C)cc(OC)c1O)C2 ZINC000848500167 636582421 /nfs/dbraw/zinc/58/24/21/636582421.db2.gz WEACTSAGEKZOSP-UHFFFAOYSA-N 1 1 299.370 3.234 20 10 CGCDMO COc1ccc2c(c1)C[N@H+](Cc1cc(C)cc(OC)c1O)C2 ZINC000848500167 636582426 /nfs/dbraw/zinc/58/24/26/636582426.db2.gz WEACTSAGEKZOSP-UHFFFAOYSA-N 1 1 299.370 3.234 20 10 CGCDMO CCc1cccc(C[N@@H+](CC)Cc2ccncc2)c1O ZINC000848911248 636686579 /nfs/dbraw/zinc/68/65/79/636686579.db2.gz SGXGKLOLYDGWHX-UHFFFAOYSA-N 1 1 270.376 3.372 20 10 CGCDMO CCc1cccc(C[N@H+]2CCCc3occc3C2)c1O ZINC000848912281 636687166 /nfs/dbraw/zinc/68/71/66/636687166.db2.gz DBYSGYKQMKKSJZ-UHFFFAOYSA-N 1 1 271.360 3.496 20 10 CGCDMO C[C@@H]([NH2+]CC1(O)CCC(C)CC1)c1ccc(F)cc1O ZINC000087044099 636789658 /nfs/dbraw/zinc/78/96/58/636789658.db2.gz FFEWNQNGIRVKGW-BWBHSNQOSA-N 1 1 281.371 3.123 20 10 CGCDMO C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CCCCO1 ZINC000132596674 636822809 /nfs/dbraw/zinc/82/28/09/636822809.db2.gz IOBYCZKIJJHYPH-ZDUSSCGKSA-N 1 1 269.772 3.047 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCCc2ccccc2C1 ZINC000133961963 636990331 /nfs/dbraw/zinc/99/03/31/636990331.db2.gz RMXMOOFDCUAHKW-UHFFFAOYSA-N 1 1 253.345 3.341 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCCc3ccccc3C2)c1 ZINC000133965496 636990535 /nfs/dbraw/zinc/99/05/35/636990535.db2.gz SXWRHQOUHXUWJA-UHFFFAOYSA-N 1 1 283.371 3.349 20 10 CGCDMO Cc1ccc(O)c(C[NH2+]CC(F)(F)C(C)(C)C)c1 ZINC000850410076 637053280 /nfs/dbraw/zinc/05/32/80/637053280.db2.gz MVCBOZKJQNAUID-UHFFFAOYSA-N 1 1 257.324 3.472 20 10 CGCDMO C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1cc(F)cc(F)c1O ZINC000850536540 637112553 /nfs/dbraw/zinc/11/25/53/637112553.db2.gz KZMVBLBPNFZSOP-KRTXAFLBSA-N 1 1 277.261 3.366 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccc(F)cc1O ZINC000850570130 637127904 /nfs/dbraw/zinc/12/79/04/637127904.db2.gz DSTMJJWBMOMGLK-FZMZJTMJSA-N 1 1 281.371 3.387 20 10 CGCDMO C[N@@H+](CCCOc1ccccc1)Cc1ccccc1O ZINC000109770714 637267833 /nfs/dbraw/zinc/26/78/33/637267833.db2.gz HPDAEPYEZNSCIA-UHFFFAOYSA-N 1 1 271.360 3.293 20 10 CGCDMO C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000219058146 637498529 /nfs/dbraw/zinc/49/85/29/637498529.db2.gz BSCLTWUKIRCTAH-UONOGXRCSA-N 1 1 294.414 3.446 20 10 CGCDMO CCC[N@H+](Cc1coc(C)n1)Cc1ccccc1O ZINC000851791909 637505815 /nfs/dbraw/zinc/50/58/15/637505815.db2.gz INWDWXVCBKOWJY-UHFFFAOYSA-N 1 1 260.337 3.101 20 10 CGCDMO CCC[N@@H+](Cc1coc(C)n1)Cc1ccccc1O ZINC000851791909 637505819 /nfs/dbraw/zinc/50/58/19/637505819.db2.gz INWDWXVCBKOWJY-UHFFFAOYSA-N 1 1 260.337 3.101 20 10 CGCDMO CCc1nc(CC[NH2+][C@H](C)c2c(O)cccc2F)cs1 ZINC000886521291 637550966 /nfs/dbraw/zinc/55/09/66/637550966.db2.gz YCCKQVDAWKZBAR-SNVBAGLBSA-N 1 1 294.395 3.444 20 10 CGCDMO Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886530507 637557090 /nfs/dbraw/zinc/55/70/90/637557090.db2.gz LTUZWKGGNCPBDA-KOLCDFICSA-N 1 1 292.354 3.418 20 10 CGCDMO C[C@H]([NH2+]CCCNc1ccccn1)c1c(O)cccc1F ZINC000886536941 637561212 /nfs/dbraw/zinc/56/12/12/637561212.db2.gz QUCGOYBVJQMQHT-LBPRGKRZSA-N 1 1 289.354 3.079 20 10 CGCDMO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886543155 637570581 /nfs/dbraw/zinc/57/05/81/637570581.db2.gz LGWLGUYWSNKTKV-UHIISALHSA-N 1 1 293.338 3.287 20 10 CGCDMO CCCC[N@@H+](Cc1cc(OC)no1)Cc1ccccc1O ZINC000852018217 637574026 /nfs/dbraw/zinc/57/40/26/637574026.db2.gz KWCAFGDMUUYEFC-UHFFFAOYSA-N 1 1 290.363 3.191 20 10 CGCDMO CCn1cc([C@H](C)[NH2+][C@H](C)c2c(O)cccc2F)cn1 ZINC000886621875 637612505 /nfs/dbraw/zinc/61/25/05/637612505.db2.gz DULSIIOYWVLIFE-WDEREUQCSA-N 1 1 277.343 3.160 20 10 CGCDMO C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1c(O)cccc1F ZINC000886624814 637614907 /nfs/dbraw/zinc/61/49/07/637614907.db2.gz AONPFYBEEKJCPP-KXUCPTDWSA-N 1 1 255.358 3.076 20 10 CGCDMO C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)c1c(O)cccc1F ZINC000886646330 637626097 /nfs/dbraw/zinc/62/60/97/637626097.db2.gz FVXAEIDRMBERFY-XTQGRXLLSA-N 1 1 293.382 3.387 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCC12CCOCC2)c1c(O)cccc1F ZINC000886646962 637626557 /nfs/dbraw/zinc/62/65/57/637626557.db2.gz ZFIXMASHTXWHND-QWHCGFSZSA-N 1 1 293.382 3.389 20 10 CGCDMO C[C@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)c1c(O)cccc1F ZINC000886720317 637673058 /nfs/dbraw/zinc/67/30/58/637673058.db2.gz ZTABLBBFFNXIFA-NWDGAFQWSA-N 1 1 281.371 3.387 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@](C)(C3CC3)C2)cc1C ZINC000853527834 637863080 /nfs/dbraw/zinc/86/30/80/637863080.db2.gz GJCPUUVTBZZNDU-KRWDZBQOSA-N 1 1 275.392 3.010 20 10 CGCDMO C[C@@]12COC[C@H]1C[N@@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000853565977 637867976 /nfs/dbraw/zinc/86/79/76/637867976.db2.gz LGJMPWCOBGGRNS-RDTXWAMCSA-N 1 1 283.371 3.014 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1 ZINC000853630092 637876949 /nfs/dbraw/zinc/87/69/49/637876949.db2.gz NJVFMHBQHZFDAY-MLGOLLRUSA-N 1 1 299.361 3.254 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)CCOc2ccccc2)cc1 ZINC000302738270 637906956 /nfs/dbraw/zinc/90/69/56/637906956.db2.gz LAURLHPWESKOCL-UHFFFAOYSA-N 1 1 284.403 3.263 20 10 CGCDMO COc1ccc(N2CC[C@@H](Nc3cc(C)cc[nH+]3)C2)cc1 ZINC000853759249 637912001 /nfs/dbraw/zinc/91/20/01/637912001.db2.gz QDMXVNFRGSHNQF-CQSZACIVSA-N 1 1 283.375 3.089 20 10 CGCDMO Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000924900130 638422605 /nfs/dbraw/zinc/42/26/05/638422605.db2.gz JWJLNTFKTCRQAY-AWEZNQCLSA-N 1 1 284.359 3.085 20 10 CGCDMO C[C@@H]([NH2+]Cc1cccc2c1OCC2)c1ccc(F)cc1O ZINC000927091949 638840617 /nfs/dbraw/zinc/84/06/17/638840617.db2.gz ULGGFKROZMPFFP-LLVKDONJSA-N 1 1 287.334 3.317 20 10 CGCDMO CCc1onc(C)c1C[NH2+][C@H](C)c1c(O)cccc1F ZINC000927130878 638845974 /nfs/dbraw/zinc/84/59/74/638845974.db2.gz HOOADXHODISJHG-SNVBAGLBSA-N 1 1 278.327 3.241 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CC2CC(OC)C2)cc1 ZINC000859059096 639066895 /nfs/dbraw/zinc/06/68/95/639066895.db2.gz BMPLEVYFUJPHOM-UHFFFAOYSA-N 1 1 290.451 3.390 20 10 CGCDMO Cc1nc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000041010569 639898433 /nfs/dbraw/zinc/89/84/33/639898433.db2.gz DTFOGCRIJDTCQB-LLVKDONJSA-N 1 1 275.421 3.368 20 10 CGCDMO CCOc1cccc(C[N@@H+](CC(C)C)C2CC2)c1O ZINC000092008976 640729246 /nfs/dbraw/zinc/72/92/46/640729246.db2.gz IYCZUUSERUDRTR-UHFFFAOYSA-N 1 1 263.381 3.411 20 10 CGCDMO CC[C@@H](C)C[N@@H+](CC)Cc1ccc(N2CCOCC2)cc1 ZINC000093844929 640782659 /nfs/dbraw/zinc/78/26/59/640782659.db2.gz FEGOMAFORXRBEN-MRXNPFEDSA-N 1 1 290.451 3.391 20 10 CGCDMO CCCC[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001255312942 806606271 /nfs/dbraw/zinc/60/62/71/806606271.db2.gz ZKGHBFWJCDLVBP-INIZCTEOSA-N 1 1 289.467 3.107 20 10 CGCDMO COc1cc(NCc2ccc(N)cc2)[nH+]c2ccccc21 ZINC001162785464 806665674 /nfs/dbraw/zinc/66/56/74/806665674.db2.gz FHPWJAOQQBZHAO-UHFFFAOYSA-N 1 1 279.343 3.438 20 10 CGCDMO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cccc(Br)c1O ZINC000161296742 799079258 /nfs/dbraw/zinc/07/92/58/799079258.db2.gz RMSZWHDIHKMYFU-VHSXEESVSA-N 1 1 284.197 3.385 20 10 CGCDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cccc(Br)c1O ZINC000161296742 799079264 /nfs/dbraw/zinc/07/92/64/799079264.db2.gz RMSZWHDIHKMYFU-VHSXEESVSA-N 1 1 284.197 3.385 20 10 CGCDMO Cc1ccc(C[N@H+]2CCc3ccccc3C2)c(O)c1 ZINC000258044387 799174550 /nfs/dbraw/zinc/17/45/50/799174550.db2.gz DYFAAKXQMJCLSA-UHFFFAOYSA-N 1 1 253.345 3.259 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)[C@H](C)C1 ZINC000305919984 799213235 /nfs/dbraw/zinc/21/32/35/799213235.db2.gz GWLMSQZFKRWJNH-MNOVXSKESA-N 1 1 269.772 3.045 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)Cc1ccccn1)c1ccc(F)cc1O ZINC000694009347 799818947 /nfs/dbraw/zinc/81/89/47/799818947.db2.gz ZHUHAIGKOSOHEY-NWDGAFQWSA-N 1 1 274.339 3.208 20 10 CGCDMO CC[C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000707136572 799972911 /nfs/dbraw/zinc/97/29/11/799972911.db2.gz SRRJORKLEGOJCC-SNVBAGLBSA-N 1 1 284.197 3.387 20 10 CGCDMO CCCC[N@@H+](C)Cc1c(O)cccc1Br ZINC000707130168 799974021 /nfs/dbraw/zinc/97/40/21/799974021.db2.gz ZOOXYRBRDNJJPU-UHFFFAOYSA-N 1 1 272.186 3.387 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000708420280 799989135 /nfs/dbraw/zinc/98/91/35/799989135.db2.gz HUVAFDJDDHVNQO-NSHDSACASA-N 1 1 275.298 3.100 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCCC1CCC1 ZINC000708556454 799991791 /nfs/dbraw/zinc/99/17/91/799991791.db2.gz VZRJOHJHGNRWCK-UHFFFAOYSA-N 1 1 255.308 3.340 20 10 CGCDMO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2O)C12CCC2 ZINC000713482999 800110814 /nfs/dbraw/zinc/11/08/14/800110814.db2.gz XCZSZNSUOGLTCC-VCTAVGKDSA-N 1 1 279.355 3.140 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCSC1 ZINC001116439637 802350139 /nfs/dbraw/zinc/35/01/39/802350139.db2.gz LBOPEUNSDBGDPD-INIZCTEOSA-N 1 1 276.449 3.224 20 10 CGCDMO Nc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 ZINC001120371443 802742589 /nfs/dbraw/zinc/74/25/89/802742589.db2.gz GDLULIAWERUTCA-NVXWUHKLSA-N 1 1 274.408 3.050 20 10 CGCDMO CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(N)cc3)C2)[nH]n1 ZINC001120371607 802742728 /nfs/dbraw/zinc/74/27/28/802742728.db2.gz KTQMPJCKFDUMTA-OAHLLOKOSA-N 1 1 298.434 3.495 20 10 CGCDMO CC(C)c1cc([C@@H]2CCC[N@H+](Cc3ccc(N)cc3)C2)n[nH]1 ZINC001120371607 802742729 /nfs/dbraw/zinc/74/27/29/802742729.db2.gz KTQMPJCKFDUMTA-OAHLLOKOSA-N 1 1 298.434 3.495 20 10 CGCDMO CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(N)cc3)C2)n[nH]1 ZINC001120371607 802742732 /nfs/dbraw/zinc/74/27/32/802742732.db2.gz KTQMPJCKFDUMTA-OAHLLOKOSA-N 1 1 298.434 3.495 20 10 CGCDMO Cc1cccc(C[N@H+]2CCc3cccc(O)c3C2)c1F ZINC001137678922 803756289 /nfs/dbraw/zinc/75/62/89/803756289.db2.gz UCDJTJWELMJCCO-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001137832686 803776987 /nfs/dbraw/zinc/77/69/87/803776987.db2.gz DIWNPWIVJPBXHM-GFCCVEGCSA-N 1 1 295.251 3.255 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001137832686 803776981 /nfs/dbraw/zinc/77/69/81/803776981.db2.gz DIWNPWIVJPBXHM-GFCCVEGCSA-N 1 1 295.251 3.255 20 10 CGCDMO CC(C)C1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137838796 803779189 /nfs/dbraw/zinc/77/91/89/803779189.db2.gz KSVUHBPKROIXJI-UHFFFAOYSA-N 1 1 251.345 3.399 20 10 CGCDMO Oc1cccc(F)c1C[NH+]1CCC(c2cccnc2)CC1 ZINC001137839989 803779254 /nfs/dbraw/zinc/77/92/54/803779254.db2.gz OPSCBNXOXCKOHA-UHFFFAOYSA-N 1 1 286.350 3.306 20 10 CGCDMO COc1ccc(CC[N@H+](C)Cc2c(O)cccc2F)cc1 ZINC001137838798 803780789 /nfs/dbraw/zinc/78/07/89/803780789.db2.gz KTABQCGRGUOWEP-UHFFFAOYSA-N 1 1 289.350 3.214 20 10 CGCDMO COc1ccc(CC[N@@H+](C)Cc2c(O)cccc2F)cc1 ZINC001137838798 803780795 /nfs/dbraw/zinc/78/07/95/803780795.db2.gz KTABQCGRGUOWEP-UHFFFAOYSA-N 1 1 289.350 3.214 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@](C)(CO)C2)c(C)n1-c1ccccc1 ZINC001137854496 803786588 /nfs/dbraw/zinc/78/65/88/803786588.db2.gz YXYRMEUKPPLSMW-IBGZPJMESA-N 1 1 298.430 3.298 20 10 CGCDMO CC[N@@H+](CCN(C)C)Cc1ccc(N2CCCCC2)cc1 ZINC001138213834 803874235 /nfs/dbraw/zinc/87/42/35/803874235.db2.gz BNEOTJHUMLADHP-UHFFFAOYSA-N 1 1 289.467 3.060 20 10 CGCDMO CCN(CC[NH+](C)C)Cc1ccc(N2CCCCC2)cc1 ZINC001138213834 803874243 /nfs/dbraw/zinc/87/42/43/803874243.db2.gz BNEOTJHUMLADHP-UHFFFAOYSA-N 1 1 289.467 3.060 20 10 CGCDMO Cc1c(C[N@H+]2CCC(=O)[C@H](C)CC2)c2ccccc2n1C ZINC001138252604 803879623 /nfs/dbraw/zinc/87/96/23/803879623.db2.gz NDEWYLBSEUOZSO-CYBMUJFWSA-N 1 1 284.403 3.288 20 10 CGCDMO Cc1c(CN2CC[N@H+]3CCCC[C@H]3C2)c2ccccc2n1C ZINC001138256781 803882314 /nfs/dbraw/zinc/88/23/14/803882314.db2.gz KMZYFGPESGVXCV-INIZCTEOSA-N 1 1 297.446 3.157 20 10 CGCDMO CC[C@@H]1COCC[N@H+]1Cc1c(C)n(C)c2ccccc21 ZINC001138258733 803883487 /nfs/dbraw/zinc/88/34/87/803883487.db2.gz ZUTQSVLTHAXJBE-CQSZACIVSA-N 1 1 272.392 3.098 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CCC[C@@H](CF)C3)ccc21 ZINC001138357823 803903103 /nfs/dbraw/zinc/90/31/03/803903103.db2.gz LVMYZEIMCKLHPJ-HNNXBMFYSA-N 1 1 276.399 3.251 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CCCOC(C)(C)C3)ccc21 ZINC001138358793 803903364 /nfs/dbraw/zinc/90/33/64/803903364.db2.gz ZZTDAGWQSGQKSZ-UHFFFAOYSA-N 1 1 288.435 3.070 20 10 CGCDMO CC[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138358675 803903446 /nfs/dbraw/zinc/90/34/46/803903446.db2.gz XGANGWYMPXFKBY-MRXNPFEDSA-N 1 1 258.409 3.443 20 10 CGCDMO COc1c(F)cc(C[N@@H+](C)Cc2ccccc2O)cc1F ZINC001138424750 803929903 /nfs/dbraw/zinc/92/99/03/803929903.db2.gz DHNGWIMVRRSMNE-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO CCCn1ncc(C[N@@H+](CC)Cc2ccccc2O)c1C ZINC001138640353 803990747 /nfs/dbraw/zinc/99/07/47/803990747.db2.gz OCUBTXVTDNXBRJ-UHFFFAOYSA-N 1 1 287.407 3.329 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@@](C)(F)[C@H](F)C2)ccc1N(C)C ZINC001139669616 804246774 /nfs/dbraw/zinc/24/67/74/804246774.db2.gz DLUNKFJSEUKREA-HZPDHXFCSA-N 1 1 282.378 3.333 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@@H](F)CC2)ccc1N(C)C ZINC001139669695 804247400 /nfs/dbraw/zinc/24/74/00/804247400.db2.gz HTNQZYCZZAAIIP-OAHLLOKOSA-N 1 1 264.388 3.385 20 10 CGCDMO C[N@H+](Cc1c(O)cccc1Br)CC1CCC1 ZINC001140100976 804377344 /nfs/dbraw/zinc/37/73/44/804377344.db2.gz GMFFXJKZPBDGNR-UHFFFAOYSA-N 1 1 284.197 3.387 20 10 CGCDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1c(C)ccc(C)c1O ZINC001140182087 804397132 /nfs/dbraw/zinc/39/71/32/804397132.db2.gz IJLVVAGTIRBLEO-OAHLLOKOSA-N 1 1 277.408 3.398 20 10 CGCDMO Oc1cccc(Cl)c1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC001140338014 804418493 /nfs/dbraw/zinc/41/84/93/804418493.db2.gz QXWGZGCVIJSFDJ-UHFFFAOYSA-N 1 1 273.710 3.277 20 10 CGCDMO Cc1ccc(Cl)nc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001140446985 804438637 /nfs/dbraw/zinc/43/86/37/804438637.db2.gz PZXLXDISGAMHBT-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1ccc(Cl)nc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001140446985 804438641 /nfs/dbraw/zinc/43/86/41/804438641.db2.gz PZXLXDISGAMHBT-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO CC[N@@H+](Cc1ccc(O)c(C)c1)Cc1ccccc1O ZINC001140576855 804464734 /nfs/dbraw/zinc/46/47/34/804464734.db2.gz BXGSLEHHYHCBER-UHFFFAOYSA-N 1 1 271.360 3.428 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2c([O-])cc(F)cc2F)C2(CC2)C1 ZINC001140584627 804468718 /nfs/dbraw/zinc/46/87/18/804468718.db2.gz ZQHPPLRNQUBCJU-VIFPVBQESA-N 1 1 253.292 3.045 20 10 CGCDMO CC(=O)c1ccc2c(c1)C[N@H+](Cc1cc(C)ccc1O)CC2 ZINC001140623812 804477764 /nfs/dbraw/zinc/47/77/64/804477764.db2.gz SLZPFHKMKUBFPD-UHFFFAOYSA-N 1 1 295.382 3.462 20 10 CGCDMO CN(Cc1ccc(N2CCCC2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246790672 804513399 /nfs/dbraw/zinc/51/33/99/804513399.db2.gz LVJYMUYEBRKSGE-JJTKIYQPSA-N 1 1 299.462 3.002 20 10 CGCDMO COC[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1Cl ZINC001140921540 804549279 /nfs/dbraw/zinc/54/92/79/804549279.db2.gz HKYSTFFJXKFSLM-AWEZNQCLSA-N 1 1 282.815 3.017 20 10 CGCDMO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(C)cc3O)C2)nc1 ZINC001140954449 804558050 /nfs/dbraw/zinc/55/80/50/804558050.db2.gz RWUZTMKYFVXXAO-MRXNPFEDSA-N 1 1 298.386 3.057 20 10 CGCDMO CN1CCOc2cc(C[N@H+]3CCC[C@@H]4CCC[C@@H]43)ccc21 ZINC001141143524 804596522 /nfs/dbraw/zinc/59/65/22/804596522.db2.gz CHSKSPFUKXVADO-HOTGVXAUSA-N 1 1 286.419 3.280 20 10 CGCDMO COc1ccc([C@H](C)[N@@H+](C)Cc2cc(O)ccc2O)cc1 ZINC001141159190 804600246 /nfs/dbraw/zinc/60/02/46/804600246.db2.gz ASPWYCWCFXGJIA-LBPRGKRZSA-N 1 1 287.359 3.299 20 10 CGCDMO Oc1ccc(O)c(C[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC001141161251 804601435 /nfs/dbraw/zinc/60/14/35/804601435.db2.gz PZACADJTXZAEFC-UHFFFAOYSA-N 1 1 289.762 3.310 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC001141161251 804601439 /nfs/dbraw/zinc/60/14/39/804601439.db2.gz PZACADJTXZAEFC-UHFFFAOYSA-N 1 1 289.762 3.310 20 10 CGCDMO C[N@H+](Cc1cc(F)c(F)cc1[O-])C[C@@H]1CC1(C)C ZINC001142527558 804734153 /nfs/dbraw/zinc/73/41/53/804734153.db2.gz ZBIZKQWJPCJNND-JTQLQIEISA-N 1 1 255.308 3.148 20 10 CGCDMO C[N@@H+](Cc1cc(F)c(F)cc1O)C[C@@H]1CC1(C)C ZINC001142527558 804734157 /nfs/dbraw/zinc/73/41/57/804734157.db2.gz ZBIZKQWJPCJNND-JTQLQIEISA-N 1 1 255.308 3.148 20 10 CGCDMO C[N@H+](Cc1cc(F)c(F)cc1O)C[C@@H]1CC1(C)C ZINC001142527558 804734164 /nfs/dbraw/zinc/73/41/64/804734164.db2.gz ZBIZKQWJPCJNND-JTQLQIEISA-N 1 1 255.308 3.148 20 10 CGCDMO CC[N@@H+](Cc1ccnc2[nH]ccc21)Cc1ccccc1O ZINC001142882771 804780822 /nfs/dbraw/zinc/78/08/22/804780822.db2.gz XSEUIRDHNALIPO-UHFFFAOYSA-N 1 1 281.359 3.291 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)c1O ZINC001143104075 804801650 /nfs/dbraw/zinc/80/16/50/804801650.db2.gz BGHQNKOVNIXNIV-CJNGLKHVSA-N 1 1 289.419 3.301 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2O)[C@@H]1CO ZINC001143103532 804802363 /nfs/dbraw/zinc/80/23/63/804802363.db2.gz FISLURWXWAONBZ-CZUORRHYSA-N 1 1 291.435 3.283 20 10 CGCDMO CC[C@@H]1COCC[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143112295 804804124 /nfs/dbraw/zinc/80/41/24/804804124.db2.gz PAAHGZRZXASXSI-CQSZACIVSA-N 1 1 277.408 3.301 20 10 CGCDMO C[C@H]1CC[N@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144299310 804970629 /nfs/dbraw/zinc/97/06/29/804970629.db2.gz VXQPETPZMSZANP-QMMMGPOBSA-N 1 1 288.160 3.136 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144299310 804970630 /nfs/dbraw/zinc/97/06/30/804970630.db2.gz VXQPETPZMSZANP-QMMMGPOBSA-N 1 1 288.160 3.136 20 10 CGCDMO CCN(Cc1ccccc1O)c1ccc2c([nH+]1)CCC2 ZINC001154889797 805505752 /nfs/dbraw/zinc/50/57/52/805505752.db2.gz HKZCQOCESNZJID-UHFFFAOYSA-N 1 1 268.360 3.302 20 10 CGCDMO Oc1cccc2c1C[N@H+]([C@@H]1CCc3cc(F)ccc3C1)CC2 ZINC001168444089 807417813 /nfs/dbraw/zinc/41/78/13/807417813.db2.gz FSKRZHIEXAUBJM-QGZVFWFLSA-N 1 1 297.373 3.447 20 10 CGCDMO CC1(C)CC([N@H+]2CCc3cccc(O)c3C2)CC(C)(C)O1 ZINC001172660118 808412155 /nfs/dbraw/zinc/41/21/55/808412155.db2.gz OSGJEOMVRVQPIT-UHFFFAOYSA-N 1 1 289.419 3.487 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@]3(CCCN(C)C3)C2)c1 ZINC001275311597 808928094 /nfs/dbraw/zinc/92/80/94/808928094.db2.gz GASIBKBTEUDZOE-GOSISDBHSA-N 1 1 288.435 3.008 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CCCN(C)C3)C2)c1 ZINC001275311597 808928103 /nfs/dbraw/zinc/92/81/03/808928103.db2.gz GASIBKBTEUDZOE-GOSISDBHSA-N 1 1 288.435 3.008 20 10 CGCDMO COc1ccc(N2CCC[C@]3(CCC[N@@H+](C)C3)C2)c(C)c1 ZINC001277019246 809054322 /nfs/dbraw/zinc/05/43/22/809054322.db2.gz XOUOKUFPMJDFOW-SFHVURJKSA-N 1 1 288.435 3.316 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC001181741669 810069022 /nfs/dbraw/zinc/06/90/22/810069022.db2.gz TZDIIDRAVWPZKI-ZFWWWQNUSA-N 1 1 281.783 3.189 20 10 CGCDMO CO[C@@H](C[NH2+]Cc1c(O)cccc1F)C1CCCCC1 ZINC001183919995 810169575 /nfs/dbraw/zinc/16/95/75/810169575.db2.gz SBLLPCQTTVVKEN-INIZCTEOSA-N 1 1 281.371 3.216 20 10 CGCDMO COc1ccc(C[N@H+]2CCc3ccc(C)cc3C2)c(O)c1 ZINC001203621279 812409866 /nfs/dbraw/zinc/40/98/66/812409866.db2.gz RAPDORAEXNMCAI-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO COc1ccc(C[N@@H+]2Cc3ccc(F)cc3C2)c(O)c1 ZINC001203627624 812410906 /nfs/dbraw/zinc/41/09/06/812410906.db2.gz MBUIDKVGMDLRMG-UHFFFAOYSA-N 1 1 273.307 3.056 20 10 CGCDMO COc1ccc(C[N@H+]2Cc3ccc(F)cc3C2)c(O)c1 ZINC001203627624 812410908 /nfs/dbraw/zinc/41/09/08/812410908.db2.gz MBUIDKVGMDLRMG-UHFFFAOYSA-N 1 1 273.307 3.056 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001203657693 812418422 /nfs/dbraw/zinc/41/84/22/812418422.db2.gz MGLKRHTZMNKTAH-ZDUSSCGKSA-N 1 1 288.778 3.430 20 10 CGCDMO C[N@H+](Cc1cncs1)Cc1cc(Cl)ccc1O ZINC001203664348 812422783 /nfs/dbraw/zinc/42/27/83/812422783.db2.gz AASJRRDWTSZRFF-UHFFFAOYSA-N 1 1 268.769 3.134 20 10 CGCDMO C[N@@H+](Cc1cncs1)Cc1cc(Cl)ccc1O ZINC001203664348 812422785 /nfs/dbraw/zinc/42/27/85/812422785.db2.gz AASJRRDWTSZRFF-UHFFFAOYSA-N 1 1 268.769 3.134 20 10 CGCDMO COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(O)c(O)c2)cc1 ZINC001203879210 812478667 /nfs/dbraw/zinc/47/86/67/812478667.db2.gz GYNNDIZQXHPZTE-LBPRGKRZSA-N 1 1 287.359 3.299 20 10 CGCDMO Oc1ccc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)cc1O ZINC001203882496 812479958 /nfs/dbraw/zinc/47/99/58/812479958.db2.gz JICZOEQJHYKKMD-MRXNPFEDSA-N 1 1 283.371 3.162 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)cc1 ZINC001203930839 812494031 /nfs/dbraw/zinc/49/40/31/812494031.db2.gz JIILOISNABJUBT-HIFRSBDPSA-N 1 1 280.362 3.230 20 10 CGCDMO CCN(CC)c1ccc(CN2CCC[N@@H+](CC)CC2)cc1 ZINC001203937297 812497520 /nfs/dbraw/zinc/49/75/20/812497520.db2.gz UEYJAXICHSMLQP-UHFFFAOYSA-N 1 1 289.467 3.060 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2CCCN(CC)CC2)cc1 ZINC001203937297 812497523 /nfs/dbraw/zinc/49/75/23/812497523.db2.gz UEYJAXICHSMLQP-UHFFFAOYSA-N 1 1 289.467 3.060 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCCN(CC)CC2)cc1 ZINC001203937297 812497525 /nfs/dbraw/zinc/49/75/25/812497525.db2.gz UEYJAXICHSMLQP-UHFFFAOYSA-N 1 1 289.467 3.060 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C)[C@@](C)(O)C2)cc1 ZINC001203937313 812497768 /nfs/dbraw/zinc/49/77/68/812497768.db2.gz UTWHIVDYKOBFAL-QAPCUYQASA-N 1 1 290.451 3.126 20 10 CGCDMO CC[NH+]1CCN(Cc2ccc(N(C)C)c3ccccc23)CC1 ZINC001204233005 812579825 /nfs/dbraw/zinc/57/98/25/812579825.db2.gz NAVTYOHGAXTFRT-UHFFFAOYSA-N 1 1 297.446 3.043 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)c2ccccc21 ZINC001204241163 812584158 /nfs/dbraw/zinc/58/41/58/812584158.db2.gz YHDNNEADSYWLHK-HZPDHXFCSA-N 1 1 296.414 3.269 20 10 CGCDMO C[N@@H+](CCc1cccc(Cl)c1)Cc1ccc(O)cc1O ZINC001204278684 812594301 /nfs/dbraw/zinc/59/43/01/812594301.db2.gz IBYWBCCQXVBNAX-UHFFFAOYSA-N 1 1 291.778 3.426 20 10 CGCDMO C[N@@H+](Cc1ccc(O)cc1O)Cc1cccc2cccnc21 ZINC001204275548 812594924 /nfs/dbraw/zinc/59/49/24/812594924.db2.gz WGPNANPXIWYHEO-UHFFFAOYSA-N 1 1 294.354 3.278 20 10 CGCDMO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204328020 812614013 /nfs/dbraw/zinc/61/40/13/812614013.db2.gz AWPNHMKPONWSPT-KRWDZBQOSA-N 1 1 288.435 3.022 20 10 CGCDMO c1cc2n(c1)CC[N@@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001204327295 812615030 /nfs/dbraw/zinc/61/50/30/812615030.db2.gz PPGOBJVQZLFVGV-UHFFFAOYSA-N 1 1 281.403 3.104 20 10 CGCDMO c1cc2n(c1)CC[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001204327295 812615034 /nfs/dbraw/zinc/61/50/34/812615034.db2.gz PPGOBJVQZLFVGV-UHFFFAOYSA-N 1 1 281.403 3.104 20 10 CGCDMO COc1cc(C[N@@H+](C)[C@@H]2CCc3ccccc32)cc(O)c1O ZINC001204349940 812618140 /nfs/dbraw/zinc/61/81/40/812618140.db2.gz DLGYFBIVTDVNAD-OAHLLOKOSA-N 1 1 299.370 3.226 20 10 CGCDMO CN(C)c1ccc(C[N@H+](C)Cc2nc3ccccc3[nH]2)cc1 ZINC001204800530 812740734 /nfs/dbraw/zinc/74/07/34/812740734.db2.gz WTOKMYGLTLZPFX-UHFFFAOYSA-N 1 1 294.402 3.261 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2nc3ccccc3[nH]2)cc1 ZINC001204800530 812740740 /nfs/dbraw/zinc/74/07/40/812740740.db2.gz WTOKMYGLTLZPFX-UHFFFAOYSA-N 1 1 294.402 3.261 20 10 CGCDMO Cc1cc([O-])c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1Cl ZINC001205637735 813036455 /nfs/dbraw/zinc/03/64/55/813036455.db2.gz IIFZHFUUNDRVQE-WCQYABFASA-N 1 1 296.842 3.161 20 10 CGCDMO Cc1cc([O-])c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1Cl ZINC001205637735 813036462 /nfs/dbraw/zinc/03/64/62/813036462.db2.gz IIFZHFUUNDRVQE-WCQYABFASA-N 1 1 296.842 3.161 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])CC[C@H]1C[NH3+] ZINC001205638447 813036656 /nfs/dbraw/zinc/03/66/56/813036656.db2.gz NXJHVFKOZMBQMM-ZBFHGGJFSA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])CC[C@H]1C[NH3+] ZINC001205638447 813036665 /nfs/dbraw/zinc/03/66/65/813036665.db2.gz NXJHVFKOZMBQMM-ZBFHGGJFSA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@H]1CC[C@@H](CN)[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001205840881 813104469 /nfs/dbraw/zinc/10/44/69/813104469.db2.gz INJTUKCXMNTNPO-BBRMVZONSA-N 1 1 290.451 3.249 20 10 CGCDMO C[C@H]1CC[C@@H](CN)[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001205840881 813104472 /nfs/dbraw/zinc/10/44/72/813104472.db2.gz INJTUKCXMNTNPO-BBRMVZONSA-N 1 1 290.451 3.249 20 10 CGCDMO Cc1nc(C)c(C[N@H+]2CCc3cccc(O)c3C2)s1 ZINC001206186134 813231872 /nfs/dbraw/zinc/23/18/72/813231872.db2.gz VYOLXOGRXDDFRP-UHFFFAOYSA-N 1 1 274.389 3.024 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001206205922 813240089 /nfs/dbraw/zinc/24/00/89/813240089.db2.gz STVUBZIKJQMPGR-WDEREUQCSA-N 1 1 273.710 3.133 20 10 CGCDMO CC(C)c1ccc(O)c(CN(C)C[C@@H]2CCC[N@H+]2C)c1 ZINC001206350339 813299961 /nfs/dbraw/zinc/29/99/61/813299961.db2.gz HXTJETFXRILUEE-INIZCTEOSA-N 1 1 276.424 3.042 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+](C)C[C@@H]2CCCN2C)c1 ZINC001206350339 813299967 /nfs/dbraw/zinc/29/99/67/813299967.db2.gz HXTJETFXRILUEE-INIZCTEOSA-N 1 1 276.424 3.042 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@@H+](C)C[C@@H]2CCCN2C)c1 ZINC001206350339 813299971 /nfs/dbraw/zinc/29/99/71/813299971.db2.gz HXTJETFXRILUEE-INIZCTEOSA-N 1 1 276.424 3.042 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@H]3CN(C)C[C@H]32)c1 ZINC001206376884 813307568 /nfs/dbraw/zinc/30/75/68/813307568.db2.gz MNUUMLIBXYRNPG-DOTOQJQBSA-N 1 1 288.435 3.042 20 10 CGCDMO CC(C)c1ccc(O)c(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC001206376884 813307576 /nfs/dbraw/zinc/30/75/76/813307576.db2.gz MNUUMLIBXYRNPG-DOTOQJQBSA-N 1 1 288.435 3.042 20 10 CGCDMO CC(C)c1ccc(O)c(CN2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC001206376884 813307582 /nfs/dbraw/zinc/30/75/82/813307582.db2.gz MNUUMLIBXYRNPG-DOTOQJQBSA-N 1 1 288.435 3.042 20 10 CGCDMO CC(C)[N@H+](Cc1c([O-])cccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC001206589406 813365613 /nfs/dbraw/zinc/36/56/13/813365613.db2.gz GTYDCZSZJSVUAR-CYBMUJFWSA-N 1 1 296.842 3.398 20 10 CGCDMO CC(C)[N@@H+](Cc1c([O-])cccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC001206589406 813365620 /nfs/dbraw/zinc/36/56/20/813365620.db2.gz GTYDCZSZJSVUAR-CYBMUJFWSA-N 1 1 296.842 3.398 20 10 CGCDMO CC(C)[N@@H+](Cc1ccc(Cl)cc1[O-])[C@H]1CCC[NH2+]CC1 ZINC001206590416 813367858 /nfs/dbraw/zinc/36/78/58/813367858.db2.gz LMKBJJHKNGNVAG-HNNXBMFYSA-N 1 1 296.842 3.398 20 10 CGCDMO CC[N@@H+](CCC(C)(C)OC)Cc1ccc(N(C)C)cc1 ZINC001209409611 814016516 /nfs/dbraw/zinc/01/65/16/814016516.db2.gz PUCVPQASNVWRFZ-UHFFFAOYSA-N 1 1 278.440 3.390 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1ccc3cc[nH]c3c1)CC2 ZINC001209516068 814071168 /nfs/dbraw/zinc/07/11/68/814071168.db2.gz SEMYQOQJHHMLPL-UHFFFAOYSA-N 1 1 278.355 3.432 20 10 CGCDMO CC(=O)C[N@@H+](C)Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209516155 814071361 /nfs/dbraw/zinc/07/13/61/814071361.db2.gz BDEGFZCFJAEIML-UHFFFAOYSA-N 1 1 270.376 3.115 20 10 CGCDMO CC(=O)C[N@H+](C)Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209516155 814071370 /nfs/dbraw/zinc/07/13/70/814071370.db2.gz BDEGFZCFJAEIML-UHFFFAOYSA-N 1 1 270.376 3.115 20 10 CGCDMO CC(C)Oc1ccc(C[N@H+]2CCc3cccc(O)c3C2)cn1 ZINC001231538436 818122725 /nfs/dbraw/zinc/12/27/25/818122725.db2.gz KTYSIWGEYMEXDQ-UHFFFAOYSA-N 1 1 298.386 3.133 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)c1O ZINC001231590979 818132383 /nfs/dbraw/zinc/13/23/83/818132383.db2.gz MXYPOMCJUHGLKF-GJZGRUSLSA-N 1 1 273.376 3.034 20 10 CGCDMO Cc1cccc(C[N@@H+]2CC[C@H](Oc3ncccc3C)C2)c1O ZINC001231595543 818133455 /nfs/dbraw/zinc/13/34/55/818133455.db2.gz ZAJQZLSDLHRGPD-INIZCTEOSA-N 1 1 298.386 3.057 20 10 CGCDMO Cc1cc(C)c(CN2CCC([NH+]3CCCC3)CC2)c(O)c1 ZINC001231842013 818186435 /nfs/dbraw/zinc/18/64/35/818186435.db2.gz MGKJEDWPWXREFQ-UHFFFAOYSA-N 1 1 288.435 3.069 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c(O)c1 ZINC001231844602 818187465 /nfs/dbraw/zinc/18/74/65/818187465.db2.gz NLJMVZNEFNUKJX-GRDNDAEWSA-N 1 1 275.392 3.008 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@@H](c3cccnc3)C2)c(O)c1 ZINC001231844297 818187510 /nfs/dbraw/zinc/18/75/10/818187510.db2.gz IDPFRATYTBDUDA-MRXNPFEDSA-N 1 1 282.387 3.394 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001231909792 818210002 /nfs/dbraw/zinc/21/00/02/818210002.db2.gz IZOBADUOQSICKT-FZMZJTMJSA-N 1 1 281.783 3.047 20 10 CGCDMO CCC[N@@H+](CC)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232198342 818274641 /nfs/dbraw/zinc/27/46/41/818274641.db2.gz QVVYHOVCVUJYTG-UHFFFAOYSA-N 1 1 296.842 3.409 20 10 CGCDMO C[N@H+](Cc1cnsc1)Cc1ccc(N2CCCC2)cc1 ZINC001232227300 818284101 /nfs/dbraw/zinc/28/41/01/818284101.db2.gz KCILKHGNWBMXLO-UHFFFAOYSA-N 1 1 287.432 3.375 20 10 CGCDMO C[N@@H+](Cc1cnsc1)Cc1ccc(N2CCCC2)cc1 ZINC001232227300 818284108 /nfs/dbraw/zinc/28/41/08/818284108.db2.gz KCILKHGNWBMXLO-UHFFFAOYSA-N 1 1 287.432 3.375 20 10 CGCDMO CC[N@@H+](Cc1cc(O)cc(OC)c1)Cc1ccccc1O ZINC001232806891 818446838 /nfs/dbraw/zinc/44/68/38/818446838.db2.gz JTBWRYNPTYHQJZ-UHFFFAOYSA-N 1 1 287.359 3.129 20 10 CGCDMO Cc1cccc(C[N@H+](C)Cc2ccc(N(C)C)cc2O)c1 ZINC001232835203 818452351 /nfs/dbraw/zinc/45/23/51/818452351.db2.gz ZOHMPYFBYOQOIT-UHFFFAOYSA-N 1 1 284.403 3.399 20 10 CGCDMO Oc1cc(C[N@@H+]2CCC[C@@H]2c2cccs2)cc(O)c1O ZINC001233011488 818501402 /nfs/dbraw/zinc/50/14/02/818501402.db2.gz AUCWZAXDBZDMAV-LLVKDONJSA-N 1 1 291.372 3.202 20 10 CGCDMO Oc1cc(C[N@H+]2CCC[C@@H]2c2cccs2)cc(O)c1O ZINC001233011488 818501408 /nfs/dbraw/zinc/50/14/08/818501408.db2.gz 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/nfs/dbraw/zinc/58/76/86/818587686.db2.gz ORTBFYBFAMMGQP-UHFFFAOYSA-N 1 1 253.292 3.045 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@@H+]1CC2CCC1CC2 ZINC001233335449 818588129 /nfs/dbraw/zinc/58/81/29/818588129.db2.gz VTNASSQDFCJZJN-UHFFFAOYSA-N 1 1 253.292 3.045 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@H+]1CC2CCC1CC2 ZINC001233335449 818588135 /nfs/dbraw/zinc/58/81/35/818588135.db2.gz VTNASSQDFCJZJN-UHFFFAOYSA-N 1 1 253.292 3.045 20 10 CGCDMO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C(F)(F)F)c1O ZINC001233416438 818615292 /nfs/dbraw/zinc/61/52/92/818615292.db2.gz IDYIAFINMGOIBA-PHIMTYICSA-N 1 1 299.292 3.107 20 10 CGCDMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C(F)(F)F)c1O ZINC001233416438 818615293 /nfs/dbraw/zinc/61/52/93/818615293.db2.gz IDYIAFINMGOIBA-PHIMTYICSA-N 1 1 299.292 3.107 20 10 CGCDMO Cc1ccnc(C[N@@H+]2CCc3cccc(O)c3C2)c1Cl ZINC001235589741 819123876 /nfs/dbraw/zinc/12/38/76/819123876.db2.gz YDALBCTZEBMCMH-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1ccnc(C[N@H+]2CCc3cccc(O)c3C2)c1Cl ZINC001235589741 819123879 /nfs/dbraw/zinc/12/38/79/819123879.db2.gz YDALBCTZEBMCMH-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO CC[C@H]1COCC[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235677755 819138478 /nfs/dbraw/zinc/13/84/78/819138478.db2.gz HJVLSNGMLOJGDV-HNNXBMFYSA-N 1 1 277.408 3.301 20 10 CGCDMO CC[N@H+](Cc1ccc(C(C)(C)C)cc1O)[C@@H](C)C(=O)OC ZINC001235679200 819138660 /nfs/dbraw/zinc/13/86/60/819138660.db2.gz DMVZVOMPUBAFHQ-LBPRGKRZSA-N 1 1 293.407 3.073 20 10 CGCDMO CC[N@@H+](Cc1ccc(C(C)(C)C)cc1O)[C@@H](C)C(=O)OC ZINC001235679200 819138662 /nfs/dbraw/zinc/13/86/62/819138662.db2.gz DMVZVOMPUBAFHQ-LBPRGKRZSA-N 1 1 293.407 3.073 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c(O)c1 ZINC001235678562 819138935 /nfs/dbraw/zinc/13/89/35/819138935.db2.gz DPFOFJUVTJQWKY-CABCVRRESA-N 1 1 289.419 3.158 20 10 CGCDMO Cc1ncc(C[N@H+](C)Cc2ccc(C(C)(C)C)cc2O)cn1 ZINC001235680114 819140354 /nfs/dbraw/zinc/14/03/54/819140354.db2.gz SLYJWLOXTSAFRU-UHFFFAOYSA-N 1 1 299.418 3.420 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2O)C[C@H](C)N1C ZINC001235681154 819140679 /nfs/dbraw/zinc/14/06/79/819140679.db2.gz YVECMLHGBXLBAL-OKILXGFUSA-N 1 1 290.451 3.214 20 10 CGCDMO C[C@@H]1CN(Cc2ccc(C(C)(C)C)cc2O)C[C@H](C)[N@H+]1C ZINC001235681154 819140683 /nfs/dbraw/zinc/14/06/83/819140683.db2.gz YVECMLHGBXLBAL-OKILXGFUSA-N 1 1 290.451 3.214 20 10 CGCDMO C[C@@H]1CN(Cc2ccc(C(C)(C)C)cc2O)C[C@H](C)[N@@H+]1C ZINC001235681154 819140688 /nfs/dbraw/zinc/14/06/88/819140688.db2.gz YVECMLHGBXLBAL-OKILXGFUSA-N 1 1 290.451 3.214 20 10 CGCDMO Cc1cc(C[N@@H+]2CCNC3(CC3)C2)c(C)n1-c1ccccc1 ZINC001235933052 819229986 /nfs/dbraw/zinc/22/99/86/819229986.db2.gz NOZMYWDEEXPINZ-UHFFFAOYSA-N 1 1 295.430 3.032 20 10 CGCDMO Cc1cc(C[N@H+]2CCNC3(CC3)C2)c(C)n1-c1ccccc1 ZINC001235933052 819229994 /nfs/dbraw/zinc/22/99/94/819229994.db2.gz NOZMYWDEEXPINZ-UHFFFAOYSA-N 1 1 295.430 3.032 20 10 CGCDMO CCC[C@H]1C[N@H+](Cc2cc3ccccc3cc2O)CCN1 ZINC001236179297 819357895 /nfs/dbraw/zinc/35/78/95/819357895.db2.gz PGGAQYYOLMCHJF-KRWDZBQOSA-N 1 1 284.403 3.119 20 10 CGCDMO CCC[C@H]1C[N@@H+](Cc2cc3ccccc3cc2O)CCN1 ZINC001236179297 819357897 /nfs/dbraw/zinc/35/78/97/819357897.db2.gz PGGAQYYOLMCHJF-KRWDZBQOSA-N 1 1 284.403 3.119 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC3(CC3)C2)c1 ZINC001236663340 819565792 /nfs/dbraw/zinc/56/57/92/819565792.db2.gz LZVXSQLAMDNLKT-UHFFFAOYSA-N 1 1 296.208 3.449 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC3(CC3)C2)c1 ZINC001236663340 819565798 /nfs/dbraw/zinc/56/57/98/819565798.db2.gz LZVXSQLAMDNLKT-UHFFFAOYSA-N 1 1 296.208 3.449 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@](C)(F)CC2)cc1OC ZINC001236751301 819589779 /nfs/dbraw/zinc/58/97/79/819589779.db2.gz SZGUXRRHJZWCRX-INIZCTEOSA-N 1 1 297.370 3.124 20 10 CGCDMO CCc1ccc(C[N@H+]2CCOc3ccccc3C2)c(O)c1 ZINC001236785911 819595511 /nfs/dbraw/zinc/59/55/11/819595511.db2.gz ASRLSYYBRVCMHK-UHFFFAOYSA-N 1 1 283.371 3.349 20 10 CGCDMO COC[C@@H]1CCCC[N@H+]1Cc1c(O)cc(OC)cc1Cl ZINC001236800468 819600407 /nfs/dbraw/zinc/60/04/07/819600407.db2.gz ZIWKTVBUHQHABI-NSHDSACASA-N 1 1 299.798 3.055 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCCC[C@](C)(F)C2)c(O)c1 ZINC001236807685 819602122 /nfs/dbraw/zinc/60/21/22/819602122.db2.gz IXSUUKFKRACXGU-INIZCTEOSA-N 1 1 281.371 3.423 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2O)CCCO1 ZINC001236826171 819607608 /nfs/dbraw/zinc/60/76/08/819607608.db2.gz HRARPYYRCWAMJM-CYBMUJFWSA-N 1 1 271.360 3.156 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc3ccccc3cc2O)CCCC1=O ZINC001236826855 819610714 /nfs/dbraw/zinc/61/07/14/819610714.db2.gz OONMXNZRTWOWCI-ZDUSSCGKSA-N 1 1 283.371 3.346 20 10 CGCDMO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cc3ccccc3cc1O)C2 ZINC001236834386 819613478 /nfs/dbraw/zinc/61/34/78/819613478.db2.gz XXQMPCTXCNWQBW-WMZOPIPTSA-N 1 1 283.371 3.299 20 10 CGCDMO CCC[N@H+](Cc1ccc2ccccc2c1O)C[C@H]1CC[NH2+]C1 ZINC001236843513 819619233 /nfs/dbraw/zinc/61/92/33/819619233.db2.gz PHKHHAGXSLWMBO-HNNXBMFYSA-N 1 1 298.430 3.367 20 10 CGCDMO CCC[N@@H+](Cc1ccc2ccccc2c1[O-])C[C@H]1CC[NH2+]C1 ZINC001236843513 819619237 /nfs/dbraw/zinc/61/92/37/819619237.db2.gz PHKHHAGXSLWMBO-HNNXBMFYSA-N 1 1 298.430 3.367 20 10 CGCDMO CCC[N@H+](Cc1ccc2ccccc2c1[O-])C[C@H]1CC[NH2+]C1 ZINC001236843513 819619243 /nfs/dbraw/zinc/61/92/43/819619243.db2.gz PHKHHAGXSLWMBO-HNNXBMFYSA-N 1 1 298.430 3.367 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCCC(=O)[C@H](C)C2)c(O)c1 ZINC001237047071 819651039 /nfs/dbraw/zinc/65/10/39/819651039.db2.gz ZIOMCYJBCXNGHW-CYBMUJFWSA-N 1 1 275.392 3.317 20 10 CGCDMO CC(C)C[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237051318 819652390 /nfs/dbraw/zinc/65/23/90/819652390.db2.gz KFZMYLCVALAZKL-UHFFFAOYSA-N 1 1 291.313 3.421 20 10 CGCDMO Oc1ccc(F)c(Cl)c1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC001237124961 819672577 /nfs/dbraw/zinc/67/25/77/819672577.db2.gz TZNNHBKKCDLWSP-HNNXBMFYSA-N 1 1 299.773 3.187 20 10 CGCDMO Oc1ccc(F)c(Cl)c1C[N@H+]1CCC2(CC2)C1 ZINC001237123069 819673633 /nfs/dbraw/zinc/67/36/33/819673633.db2.gz GUWUCDNDPZCDSZ-UHFFFAOYSA-N 1 1 255.720 3.171 20 10 CGCDMO Cc1ccc(O[C@H]2CC[N@@H+](Cc3c(C)cccc3O)C2)nc1 ZINC001237495238 819764612 /nfs/dbraw/zinc/76/46/12/819764612.db2.gz NQHYUDXWGZTXCJ-HNNXBMFYSA-N 1 1 298.386 3.057 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)c(O)c(OC)c1 ZINC001237676536 819804052 /nfs/dbraw/zinc/80/40/52/819804052.db2.gz PQABHDJFJFGXCW-NEPJUHHUSA-N 1 1 279.380 3.030 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@](C)(O)C2)c1O ZINC001237681945 819806478 /nfs/dbraw/zinc/80/64/78/819806478.db2.gz UQNAEFKPCAOTPA-OAHLLOKOSA-N 1 1 283.799 3.091 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c1O ZINC001237690147 819809162 /nfs/dbraw/zinc/80/91/62/819809162.db2.gz MUCJPKJLLKMIFW-SMDDNHRTSA-N 1 1 293.794 3.155 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001237942914 819888198 /nfs/dbraw/zinc/88/81/98/819888198.db2.gz FVLIECHURLGMHJ-BMIGLBTASA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001237942914 819888207 /nfs/dbraw/zinc/88/82/07/819888207.db2.gz FVLIECHURLGMHJ-BMIGLBTASA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001237939317 819888955 /nfs/dbraw/zinc/88/89/55/819888955.db2.gz AQAYLYMRHMOJLA-QPUJVOFHSA-N 1 1 255.720 3.169 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001237939317 819888966 /nfs/dbraw/zinc/88/89/66/819888966.db2.gz AQAYLYMRHMOJLA-QPUJVOFHSA-N 1 1 255.720 3.169 20 10 CGCDMO CC[N@@H+](Cc1ccncc1)Cc1cc(F)cc(C)c1O ZINC001238057335 819918706 /nfs/dbraw/zinc/91/87/06/819918706.db2.gz KHKDHQOSLZWKTQ-UHFFFAOYSA-N 1 1 274.339 3.257 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CC[C@H](c3cccnc3)C2)c1O ZINC001238062799 819920590 /nfs/dbraw/zinc/92/05/90/819920590.db2.gz RPYWSLBMNRGNQF-AWEZNQCLSA-N 1 1 286.350 3.224 20 10 CGCDMO CC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238070566 819924509 /nfs/dbraw/zinc/92/45/09/819924509.db2.gz NKCKBEGYTSRDEY-GFCCVEGCSA-N 1 1 251.345 3.462 20 10 CGCDMO Cn1ccc2c1cc[nH+]c2-c1cnn(Cc2ccccc2)c1 ZINC001240001370 820769494 /nfs/dbraw/zinc/76/94/94/820769494.db2.gz MBJZSCCLEWXGTE-UHFFFAOYSA-N 1 1 288.354 3.485 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1O ZINC001140178224 926715109 /nfs/dbraw/zinc/71/51/09/926715109.db2.gz CZPFQPNUCHGXGX-ZBFHGGJFSA-N 1 1 275.392 3.010 20 10 CGCDMO CC[C@@H]1C[N@H+](Cc2c(O)cc(C)cc2Cl)C[C@@H](C)O1 ZINC001474382461 937205486 /nfs/dbraw/zinc/20/54/86/937205486.db2.gz KFLHATMBQKDNJN-VXGBXAGGSA-N 1 1 283.799 3.353 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2c(O)cc(C)cc2Cl)C[C@@H](C)O1 ZINC001474382461 937205488 /nfs/dbraw/zinc/20/54/88/937205488.db2.gz KFLHATMBQKDNJN-VXGBXAGGSA-N 1 1 283.799 3.353 20 10 CGCDMO Cc1c2ccccc2n(C)c1CN[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001461253839 937572123 /nfs/dbraw/zinc/57/21/23/937572123.db2.gz GTORQTCLJOHSLV-HOTGVXAUSA-N 1 1 299.462 3.449 20 10 CGCDMO CC1(C)CCC[C@@](CO)([NH2+]Cc2cc(F)c(F)cc2O)C1 ZINC001462436840 937641085 /nfs/dbraw/zinc/64/10/85/937641085.db2.gz IZGJIJGBBANUPZ-MRXNPFEDSA-N 1 1 299.361 3.091 20 10 CGCDMO Cc1cc(C[N@@H+]2CCOC[C@H]2CC(C)C)ccc1N(C)C ZINC001307479350 932958209 /nfs/dbraw/zinc/95/82/09/932958209.db2.gz OSOBXYSYKGKFQB-QGZVFWFLSA-N 1 1 290.451 3.308 20 10 CGCDMO Oc1cc(Cl)ccc1C[NH2+]CC[C@H]1CCSC1 ZINC001462510201 937646078 /nfs/dbraw/zinc/64/60/78/937646078.db2.gz QXHMWVKBOXDXGQ-JTQLQIEISA-N 1 1 271.813 3.278 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]C/C=C\c1ccc(F)cc1 ZINC001462589090 937652688 /nfs/dbraw/zinc/65/26/88/937652688.db2.gz JSCHQTDOXZZXFF-IHWYPQMZSA-N 1 1 275.298 3.473 20 10 CGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@H](C3CC3)C2)cc1F ZINC001308598401 933139909 /nfs/dbraw/zinc/13/99/09/933139909.db2.gz LCEDOKFMRCBXAF-LBPRGKRZSA-N 1 1 280.362 3.263 20 10 CGCDMO CO[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)c(F)cc2O)C12CCC2 ZINC001308763948 933172649 /nfs/dbraw/zinc/17/26/49/933172649.db2.gz CIPFROYXBWVTJN-LSDHHAIUSA-N 1 1 297.345 3.060 20 10 CGCDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)c(F)cc2O)C12CCC2 ZINC001308763948 933172651 /nfs/dbraw/zinc/17/26/51/933172651.db2.gz CIPFROYXBWVTJN-LSDHHAIUSA-N 1 1 297.345 3.060 20 10 CGCDMO C[C@H]1CC(C)(C)C[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001308821948 933184085 /nfs/dbraw/zinc/18/40/85/933184085.db2.gz WPNRLDDCDIDUPO-VIFPVBQESA-N 1 1 255.308 3.291 20 10 CGCDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1cc(F)c(F)cc1O ZINC001308821948 933184088 /nfs/dbraw/zinc/18/40/88/933184088.db2.gz WPNRLDDCDIDUPO-VIFPVBQESA-N 1 1 255.308 3.291 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)[C@H]2CC[C@H](SC)C2)c1 ZINC001320637239 934077709 /nfs/dbraw/zinc/07/77/09/934077709.db2.gz LGBSDZYWFHOVTP-JSGCOSHPSA-N 1 1 281.421 3.117 20 10 CGCDMO CC[N@@H+](Cc1cc(OC)c(OC)cc1O)C(C)(C)C ZINC001325128037 934889012 /nfs/dbraw/zinc/88/90/12/934889012.db2.gz JEFBVUDJDDWMFO-UHFFFAOYSA-N 1 1 267.369 3.030 20 10 CGCDMO CC[C@H]([NH2+]CC[C@H](C)[NH2+]C)c1cc(Cl)ccc1[O-] ZINC001325744258 934926121 /nfs/dbraw/zinc/92/61/21/934926121.db2.gz SEZHWEWKJFEGML-GWCFXTLKSA-N 1 1 270.804 3.084 20 10 CGCDMO C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC001331831989 935413172 /nfs/dbraw/zinc/41/31/72/935413172.db2.gz CKVZPRNRFKALBB-STQMWFEESA-N 1 1 272.392 3.052 20 10 CGCDMO C[C@]1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CCCCO1 ZINC001560606702 938265115 /nfs/dbraw/zinc/26/51/15/938265115.db2.gz ZNXIFAZKIGXDIT-CQSZACIVSA-N 1 1 287.762 3.234 20 10 CGCDMO CS[C@H]1CCCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001560641108 938267559 /nfs/dbraw/zinc/26/75/59/938267559.db2.gz SYDJEGSLYOLMKM-NSHDSACASA-N 1 1 287.375 3.388 20 10 CGCDMO CS[C@H]1CCCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001560641108 938267560 /nfs/dbraw/zinc/26/75/60/938267560.db2.gz SYDJEGSLYOLMKM-NSHDSACASA-N 1 1 287.375 3.388 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC001560900136 938282736 /nfs/dbraw/zinc/28/27/36/938282736.db2.gz LYRFDMPLQRJOIN-AWEZNQCLSA-N 1 1 281.783 3.047 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC001560900136 938282737 /nfs/dbraw/zinc/28/27/37/938282737.db2.gz LYRFDMPLQRJOIN-AWEZNQCLSA-N 1 1 281.783 3.047 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC001560908837 938283392 /nfs/dbraw/zinc/28/33/92/938283392.db2.gz BYUJOTDZPMXFGW-ZDUSSCGKSA-N 1 1 297.345 3.204 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC001560908837 938283394 /nfs/dbraw/zinc/28/33/94/938283394.db2.gz BYUJOTDZPMXFGW-ZDUSSCGKSA-N 1 1 297.345 3.204 20 10 CGCDMO CC1(C[NH2+]Cc2ccc3ccccc3c2[O-])CC[NH2+]CC1 ZINC001576525873 962464765 /nfs/dbraw/zinc/46/47/65/962464765.db2.gz JWMBGSLCYZYCLW-UHFFFAOYSA-N 1 1 284.403 3.025 20 10 CGCDMO [O-]c1c(C[NH+]2CCC3(CC[NH2+]C3)CC2)ccc2ccccc21 ZINC001580885666 962742499 /nfs/dbraw/zinc/74/24/99/962742499.db2.gz KIRUMGFGQRIAFL-UHFFFAOYSA-N 1 1 296.414 3.121 20 10 CGCDMO CC[N@@H+](Cc1cccc(OC)c1O)[C@H](C)C(C)C ZINC000092590392 370098145 /nfs/dbraw/zinc/09/81/45/370098145.db2.gz PRIWLJKTJLABLR-GFCCVEGCSA-N 1 1 251.370 3.267 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(F)cc1O ZINC000287539974 371670713 /nfs/dbraw/zinc/67/07/13/371670713.db2.gz PGARZQIIXWSGDD-UKRRQHHQSA-N 1 1 281.371 3.123 20 10 CGCDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cc(F)ccc1O ZINC000289268541 371751847 /nfs/dbraw/zinc/75/18/47/371751847.db2.gz GCNWZQGSXMOSSX-DOMZBBRYSA-N 1 1 281.371 3.047 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@@]2(C)CCCO)ccc1N(C)C ZINC000293766590 372475960 /nfs/dbraw/zinc/47/59/60/372475960.db2.gz KLRSEAORWSUUGZ-SFHVURJKSA-N 1 1 290.451 3.188 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](O)CC2)cc1F ZINC000294114712 372584710 /nfs/dbraw/zinc/58/47/10/372584710.db2.gz SVBGLSHNLDAUCR-HNNXBMFYSA-N 1 1 294.414 3.019 20 10 CGCDMO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2c(C)cc(C)cc2O)n[nH]1 ZINC000294678348 372666469 /nfs/dbraw/zinc/66/64/69/372666469.db2.gz HZLRMWRQXIBUPX-GXTWGEPZSA-N 1 1 287.407 3.322 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)CC1(C)C ZINC000295122702 372694662 /nfs/dbraw/zinc/69/46/62/372694662.db2.gz XOORGWBDCVHNHI-AWEZNQCLSA-N 1 1 283.799 3.293 20 10 CGCDMO C[N@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCSC1 ZINC000295424473 372775976 /nfs/dbraw/zinc/77/59/76/372775976.db2.gz SMWNLTYLXZGYEX-SECBINFHSA-N 1 1 275.776 3.122 20 10 CGCDMO C[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCSC1 ZINC000295424473 372775983 /nfs/dbraw/zinc/77/59/83/372775983.db2.gz SMWNLTYLXZGYEX-SECBINFHSA-N 1 1 275.776 3.122 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)[C@@H](C)c2ccco2)cc1OC ZINC000179682657 373905749 /nfs/dbraw/zinc/90/57/49/373905749.db2.gz FLWDBZPHWSCKJB-NSHDSACASA-N 1 1 291.347 3.195 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2cccn2C)c1 ZINC000179708759 373907560 /nfs/dbraw/zinc/90/75/60/373907560.db2.gz QQTKQCALZCZTMY-INIZCTEOSA-N 1 1 270.376 3.376 20 10 CGCDMO CCCN1CCC([N@H+](C)Cc2cccc(C)c2O)CC1 ZINC000179797624 373920087 /nfs/dbraw/zinc/92/00/87/373920087.db2.gz AAKAYHIWRHYMGT-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO CCCN1CCC([N@@H+](C)Cc2cccc(C)c2O)CC1 ZINC000179797624 373920093 /nfs/dbraw/zinc/92/00/93/373920093.db2.gz AAKAYHIWRHYMGT-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)[C@@H](C)c2ccccn2)c1O ZINC000182063572 374213566 /nfs/dbraw/zinc/21/35/66/374213566.db2.gz CLUQLHCONLDCJL-ZDUSSCGKSA-N 1 1 286.375 3.379 20 10 CGCDMO C[C@@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccccc1O ZINC000183517344 374421799 /nfs/dbraw/zinc/42/17/99/374421799.db2.gz YHDFCLDRRQQZLB-CZUORRHYSA-N 1 1 278.440 3.409 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCS[C@H](C)CC2)c1O ZINC000190696264 375532842 /nfs/dbraw/zinc/53/28/42/375532842.db2.gz KMCCMCLAVGGOBU-GFCCVEGCSA-N 1 1 281.421 3.118 20 10 CGCDMO Cc1cccc(C[N@@H+]2CCSCC[C@@H]2C)c1O ZINC000191809791 375664653 /nfs/dbraw/zinc/66/46/53/375664653.db2.gz XXLMJERBQHQAIK-LBPRGKRZSA-N 1 1 251.395 3.028 20 10 CGCDMO CCn1nccc1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000271063790 378446169 /nfs/dbraw/zinc/44/61/69/378446169.db2.gz ZCFLVLFFGUKXHD-UHFFFAOYSA-N 1 1 298.434 3.134 20 10 CGCDMO CCn1nccc1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000271063790 378446176 /nfs/dbraw/zinc/44/61/76/378446176.db2.gz ZCFLVLFFGUKXHD-UHFFFAOYSA-N 1 1 298.434 3.134 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cscn1 ZINC000271106766 378454897 /nfs/dbraw/zinc/45/48/97/378454897.db2.gz GIYSGRASNSNYRW-LBPRGKRZSA-N 1 1 287.432 3.376 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc(F)cc1O ZINC000273530863 378752275 /nfs/dbraw/zinc/75/22/75/378752275.db2.gz WGVPTWIQTSGMPO-YPMHNXCESA-N 1 1 279.355 3.284 20 10 CGCDMO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc(F)cc1O ZINC000273554522 378752386 /nfs/dbraw/zinc/75/23/86/378752386.db2.gz GRERCVNWDBXCIC-MLGOLLRUSA-N 1 1 289.350 3.306 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2C2CC2)c1 ZINC000371419261 379162785 /nfs/dbraw/zinc/16/27/85/379162785.db2.gz KFGVKVRAGUBMSZ-OAHLLOKOSA-N 1 1 261.365 3.165 20 10 CGCDMO Cc1cccc(C[N@H+]2CCOC[C@H]2c2ccccc2)c1O ZINC000374998506 379482320 /nfs/dbraw/zinc/48/23/20/379482320.db2.gz NRGRUQODMHAWNO-KRWDZBQOSA-N 1 1 283.371 3.274 20 10 CGCDMO Cc1cccc(C[N@@H+]2CCCC[C@H]2c2ccnn2C)c1O ZINC000281268348 379825787 /nfs/dbraw/zinc/82/57/87/379825787.db2.gz NPTCDXNUNSPDKY-INIZCTEOSA-N 1 1 285.391 3.161 20 10 CGCDMO CCCC[N@@H+](Cc1ccon1)Cc1ccccc1O ZINC000282523075 379938548 /nfs/dbraw/zinc/93/85/48/379938548.db2.gz UDKVCAWZZSGZEU-UHFFFAOYSA-N 1 1 260.337 3.183 20 10 CGCDMO Cc1noc(C(C)(C)[NH2+]Cc2cc(Cl)cc(C)c2O)n1 ZINC000285318440 380148519 /nfs/dbraw/zinc/14/85/19/380148519.db2.gz WURSMFPGNSRFRV-UHFFFAOYSA-N 1 1 295.770 3.070 20 10 CGCDMO CC[C@@H]([NH2+]CC(O)(CC)CC)c1ccc(F)cc1O ZINC000286148348 380165011 /nfs/dbraw/zinc/16/50/11/380165011.db2.gz PGVMKTYGTHTZEM-CYBMUJFWSA-N 1 1 269.360 3.123 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)CSC)c1ccc(F)cc1O ZINC000286244555 380180595 /nfs/dbraw/zinc/18/05/95/380180595.db2.gz UDGJANDYXQSIEG-JOYOIKCWSA-N 1 1 257.374 3.324 20 10 CGCDMO CC[C@@H]([NH2+]C1CCSCC1)c1ccc(F)cc1O ZINC000286334175 380196985 /nfs/dbraw/zinc/19/69/85/380196985.db2.gz XZWMPZMECNFMRC-CYBMUJFWSA-N 1 1 269.385 3.468 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cccnc1)c1ccc(F)cc1O ZINC000285816005 380152471 /nfs/dbraw/zinc/15/24/71/380152471.db2.gz WCTXSZPBACCMNU-CQSZACIVSA-N 1 1 260.312 3.167 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC3(CCC3)C[C@H]2C)c1 ZINC000365446287 382286830 /nfs/dbraw/zinc/28/68/30/382286830.db2.gz ZOSPMXQOKZVRME-GFCCVEGCSA-N 1 1 261.365 3.165 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCCC[C@@H](COC)C2)c1 ZINC000368666027 382379069 /nfs/dbraw/zinc/37/90/69/382379069.db2.gz JNAPNYAZAHITLL-CQSZACIVSA-N 1 1 293.407 3.039 20 10 CGCDMO CSCC[C@H](C)[N@@H+](C)Cc1cc(C)ccc1O ZINC000093558903 392239519 /nfs/dbraw/zinc/23/95/19/392239519.db2.gz WCGJAQAQCBIFNJ-LBPRGKRZSA-N 1 1 253.411 3.274 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)[C@@H](C)CCSC)c1O ZINC000093558731 392239570 /nfs/dbraw/zinc/23/95/70/392239570.db2.gz OVBXEWCTXRVOEX-LBPRGKRZSA-N 1 1 283.437 3.364 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@H](N3CCCC3)C[C@@H]2C)cc1C ZINC000285262693 392320712 /nfs/dbraw/zinc/32/07/12/392320712.db2.gz XYUPBUJHTMOGCD-DOTOQJQBSA-N 1 1 288.435 3.068 20 10 CGCDMO Cc1cc(O)c(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1C ZINC000285262693 392320718 /nfs/dbraw/zinc/32/07/18/392320718.db2.gz XYUPBUJHTMOGCD-DOTOQJQBSA-N 1 1 288.435 3.068 20 10 CGCDMO C[N@@H+](CCCF)Cc1ccc(N2CCCCC2)cc1 ZINC000119389581 392394332 /nfs/dbraw/zinc/39/43/32/392394332.db2.gz DCTQGGCFUICJNX-UHFFFAOYSA-N 1 1 264.388 3.468 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000179564497 392702786 /nfs/dbraw/zinc/70/27/86/392702786.db2.gz PXSUCAKSQBALEU-CQSZACIVSA-N 1 1 275.373 3.027 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccccc2O)C[C@H](c2ccsc2)O1 ZINC000179582211 392703842 /nfs/dbraw/zinc/70/38/42/392703842.db2.gz BMTAIFFPNQFUGS-BLLLJJGKSA-N 1 1 289.400 3.416 20 10 CGCDMO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCc3c[nH]nc32)c1 ZINC000273520654 393275514 /nfs/dbraw/zinc/27/55/14/393275514.db2.gz UHPLXHZSGARYPD-BXUZGUMPSA-N 1 1 271.364 3.152 20 10 CGCDMO C[C@H]([NH2+]CCCc1ccccn1)c1ccc(F)cc1O ZINC000186140642 262081167 /nfs/dbraw/zinc/08/11/67/262081167.db2.gz BHDAHCMDUXISLF-LBPRGKRZSA-N 1 1 274.339 3.210 20 10 CGCDMO C[C@@H]([NH2+]CCOCc1ccccc1)c1ccc(F)cc1O ZINC000185633099 262306428 /nfs/dbraw/zinc/30/64/28/262306428.db2.gz DGONKZHQYXRDKI-CYBMUJFWSA-N 1 1 289.350 3.399 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1O ZINC000124513459 262553162 /nfs/dbraw/zinc/55/31/62/262553162.db2.gz MVGUCQIIMYTAFB-GFCCVEGCSA-N 1 1 273.298 3.475 20 10 CGCDMO CCCC[N@@H+](Cc1ncc(C)o1)Cc1ccccc1O ZINC000282481778 263076950 /nfs/dbraw/zinc/07/69/50/263076950.db2.gz OYXUKXBXSHSBOV-UHFFFAOYSA-N 1 1 274.364 3.491 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCC=C(c3ccco3)C1)OCO2 ZINC000285144505 263090447 /nfs/dbraw/zinc/09/04/47/263090447.db2.gz QZVMFWHTMCWZFN-UHFFFAOYSA-N 1 1 299.326 3.003 20 10 CGCDMO COCC[C@H]1CCCC[N@@H+](Cc2ccccc2O)C1 ZINC000368666437 267195986 /nfs/dbraw/zinc/19/59/86/267195986.db2.gz LSQCBQWKYOJGGG-CQSZACIVSA-N 1 1 263.381 3.031 20 10 CGCDMO CCC[C@](C)(O)C[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000285986978 328248747 /nfs/dbraw/zinc/24/87/47/328248747.db2.gz HXFILXQVDILEAX-ZFWWWQNUSA-N 1 1 269.360 3.123 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(F)cc1O ZINC000168815053 329059611 /nfs/dbraw/zinc/05/96/11/329059611.db2.gz VMELXQSZPSXNJP-MWLCHTKSSA-N 1 1 255.358 3.078 20 10 CGCDMO COc1ccccc1[C@H](C)[NH2+]Cc1cccc(F)c1O ZINC000164933828 331305507 /nfs/dbraw/zinc/30/55/07/331305507.db2.gz FRDZBSFSLKQREI-NSHDSACASA-N 1 1 275.323 3.391 20 10 CGCDMO CC(C)[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000278375227 519795915 /nfs/dbraw/zinc/79/59/15/519795915.db2.gz COYIAJFURWHYNW-PRHODGIISA-N 1 1 292.206 3.367 20 10 CGCDMO Oc1ccccc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000192920515 534455977 /nfs/dbraw/zinc/45/59/77/534455977.db2.gz IBQOMQCSWQBRFS-QGZVFWFLSA-N 1 1 296.414 3.004 20 10 CGCDMO CCCC[N@@H+](Cc1[nH]ncc1C)Cc1ccccc1O ZINC000291553974 520549046 /nfs/dbraw/zinc/54/90/46/520549046.db2.gz MMGLORYSZVFBOG-UHFFFAOYSA-N 1 1 273.380 3.226 20 10 CGCDMO CCCC[N@H+](Cc1n[nH]cc1C)Cc1ccccc1O ZINC000291553974 520549062 /nfs/dbraw/zinc/54/90/62/520549062.db2.gz MMGLORYSZVFBOG-UHFFFAOYSA-N 1 1 273.380 3.226 20 10 CGCDMO CCCC[N@@H+](Cc1n[nH]cc1C)Cc1ccccc1O ZINC000291553974 520549069 /nfs/dbraw/zinc/54/90/69/520549069.db2.gz MMGLORYSZVFBOG-UHFFFAOYSA-N 1 1 273.380 3.226 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC[C@H](CSC)C2)c1O ZINC000292869745 521336350 /nfs/dbraw/zinc/33/63/50/521336350.db2.gz WGFFVFWDVYLINT-ZDUSSCGKSA-N 1 1 295.448 3.366 20 10 CGCDMO C[C@H](CCO)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000278652496 524207372 /nfs/dbraw/zinc/20/73/72/524207372.db2.gz IFJLSGPHFRURAY-RKDXNWHRSA-N 1 1 292.206 3.368 20 10 CGCDMO Cc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)cn1 ZINC000062748548 524592921 /nfs/dbraw/zinc/59/29/21/524592921.db2.gz YQELBXSHUZRBLU-NSHDSACASA-N 1 1 260.312 3.086 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000290124030 524741837 /nfs/dbraw/zinc/74/18/37/524741837.db2.gz JBGPORIATDRXMO-ZDUSSCGKSA-N 1 1 261.365 3.023 20 10 CGCDMO Cc1cc(Cn2cc[nH+]c2C(C)C)ccc1N(C)C ZINC000292536223 524922354 /nfs/dbraw/zinc/92/23/54/524922354.db2.gz ATAZFRWVOBDBCW-UHFFFAOYSA-N 1 1 257.381 3.429 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1 ZINC000292677946 525345173 /nfs/dbraw/zinc/34/51/73/525345173.db2.gz AKYWCMFFYFYCAD-KGLIPLIRSA-N 1 1 267.319 3.178 20 10 CGCDMO C[C@H]([NH2+]CCc1ccsc1)c1ccc(F)cc1O ZINC000062748197 525370224 /nfs/dbraw/zinc/37/02/24/525370224.db2.gz YMFDJENFZIIXEW-JTQLQIEISA-N 1 1 265.353 3.486 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1O ZINC000278444767 525951208 /nfs/dbraw/zinc/95/12/08/525951208.db2.gz WUHVJPBCWHFXJP-JTQLQIEISA-N 1 1 289.297 3.175 20 10 CGCDMO Cc1noc([C@H]2CCCC[N@@H+]2Cc2cc(C)ccc2O)n1 ZINC000289649788 526666836 /nfs/dbraw/zinc/66/68/36/526666836.db2.gz CBSABNYZFBACSL-CQSZACIVSA-N 1 1 287.363 3.119 20 10 CGCDMO Cc1noc([C@H]2CCCC[N@H+]2Cc2cc(C)ccc2O)n1 ZINC000289649788 526666841 /nfs/dbraw/zinc/66/68/41/526666841.db2.gz CBSABNYZFBACSL-CQSZACIVSA-N 1 1 287.363 3.119 20 10 CGCDMO Cc1nc(F)ccc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000279573555 526943812 /nfs/dbraw/zinc/94/38/12/526943812.db2.gz TVUQTOHFEBPAHJ-UHFFFAOYSA-N 1 1 287.382 3.227 20 10 CGCDMO OCC[N@@H+](Cc1ccc(N2CCCCC2)cc1)C1CCC1 ZINC000276055008 527549357 /nfs/dbraw/zinc/54/93/57/527549357.db2.gz SARMIJRCYMSHFU-UHFFFAOYSA-N 1 1 288.435 3.024 20 10 CGCDMO CCc1cc(C[NH+]2CC(OC)C2)c(O)c(C(C)(C)C)c1 ZINC000738226543 572367930 /nfs/dbraw/zinc/36/79/30/572367930.db2.gz YMUSNRDQURJFQR-UHFFFAOYSA-N 1 1 277.408 3.083 20 10 CGCDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@@H](C)C3)c2c1 ZINC000725778686 572400078 /nfs/dbraw/zinc/40/00/78/572400078.db2.gz NUKQEJHTVCDNCP-GFCCVEGCSA-N 1 1 271.360 3.396 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846117139 618073813 /nfs/dbraw/zinc/07/38/13/618073813.db2.gz NFGNIVJRXQAMBG-LBPRGKRZSA-N 1 1 273.710 3.277 20 10 CGCDMO CCC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1O ZINC000161529477 618689734 /nfs/dbraw/zinc/68/97/34/618689734.db2.gz CKENCLIKBAXJEM-MRXNPFEDSA-N 1 1 276.424 3.089 20 10 CGCDMO CCC[N@H+](CC[C@H]1CCCN1C)Cc1ccccc1O ZINC000161529477 618689737 /nfs/dbraw/zinc/68/97/37/618689737.db2.gz CKENCLIKBAXJEM-MRXNPFEDSA-N 1 1 276.424 3.089 20 10 CGCDMO CCC[N@@H+](CC[C@H]1CCCN1C)Cc1ccccc1O ZINC000161529477 618689740 /nfs/dbraw/zinc/68/97/40/618689740.db2.gz CKENCLIKBAXJEM-MRXNPFEDSA-N 1 1 276.424 3.089 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCCc3ccccc3C1)OCO2 ZINC000172504387 618854022 /nfs/dbraw/zinc/85/40/22/618854022.db2.gz CHGVDSKUMRZOOU-UHFFFAOYSA-N 1 1 297.354 3.069 20 10 CGCDMO COc1cccc(C[N@H+]2C[C@H](C)CCC[C@H]2C)c1O ZINC000093509257 619202109 /nfs/dbraw/zinc/20/21/09/619202109.db2.gz POTODADVWBDOCS-CHWSQXEVSA-N 1 1 263.381 3.411 20 10 CGCDMO C[C@H]1SCC[N@@H+](Cc2cc(Cl)ccc2O)[C@H]1C ZINC000093500532 619202350 /nfs/dbraw/zinc/20/23/50/619202350.db2.gz GFMYWZMJYBOLPD-VHSXEESVSA-N 1 1 271.813 3.371 20 10 CGCDMO C[C@H]([NH2+][C@H]1COc2ccccc2C1)c1ccc(F)cc1O ZINC000185224243 619222684 /nfs/dbraw/zinc/22/26/84/619222684.db2.gz PNGDCULDDRWKPI-SMDDNHRTSA-N 1 1 287.334 3.186 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000840936520 619227432 /nfs/dbraw/zinc/22/74/32/619227432.db2.gz KTRDSLBDBZZADF-FUHWJXTLSA-N 1 1 290.451 3.044 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCSC3(CCC3)CC2)c1 ZINC000840955006 619261410 /nfs/dbraw/zinc/26/14/10/619261410.db2.gz PZYIUTWAHCPNHK-UHFFFAOYSA-N 1 1 293.432 3.262 20 10 CGCDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC000893677102 619277586 /nfs/dbraw/zinc/27/75/86/619277586.db2.gz QBGHNVXQDYIDQP-DGCLKSJQSA-N 1 1 279.380 3.030 20 10 CGCDMO CCCC[C@H](C)[N@@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000894557346 619571346 /nfs/dbraw/zinc/57/13/46/619571346.db2.gz YWKKPQIDEHBMFA-LBPRGKRZSA-N 1 1 281.396 3.420 20 10 CGCDMO CCCOc1ccc(C[NH2+][C@H](C)c2nnc(C)[nH]2)cc1C ZINC000894776949 619630117 /nfs/dbraw/zinc/63/01/17/619630117.db2.gz GKYDEBLHRTZYJN-GFCCVEGCSA-N 1 1 288.395 3.061 20 10 CGCDMO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H](C2CC2)O1 ZINC000793219892 619706334 /nfs/dbraw/zinc/70/63/34/619706334.db2.gz PJMUCRVACHITAB-ZUZCIYMTSA-N 1 1 281.783 3.045 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@H](C2CC2)O1 ZINC000793219892 619706337 /nfs/dbraw/zinc/70/63/37/619706337.db2.gz PJMUCRVACHITAB-ZUZCIYMTSA-N 1 1 281.783 3.045 20 10 CGCDMO COc1ccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c(O)c1OC ZINC000895086666 619721815 /nfs/dbraw/zinc/72/18/15/619721815.db2.gz POXCPBMFBSOKIY-JSGCOSHPSA-N 1 1 291.391 3.174 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](CF)C2)c(Cl)c1 ZINC000895574369 619852607 /nfs/dbraw/zinc/85/26/07/619852607.db2.gz WFWQVDOGIWIKFV-JTQLQIEISA-N 1 1 257.736 3.145 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000895585746 619855398 /nfs/dbraw/zinc/85/53/98/619855398.db2.gz ZBRWYYFNHZXWSP-SNVBAGLBSA-N 1 1 294.807 3.492 20 10 CGCDMO CCc1ccc(NCc2cc(C)cc(OC)c2O)[nH+]c1 ZINC000895690982 619870961 /nfs/dbraw/zinc/87/09/61/619870961.db2.gz NFDMWYCSTOOREM-UHFFFAOYSA-N 1 1 272.348 3.279 20 10 CGCDMO Cc1ccc(C)c(C[NH2+]Cc2c(O)cccc2F)c1 ZINC000896640983 620042456 /nfs/dbraw/zinc/04/24/56/620042456.db2.gz NKYNOMLCHKYXKQ-UHFFFAOYSA-N 1 1 259.324 3.438 20 10 CGCDMO C[C@@H](CCCCO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841758786 620405707 /nfs/dbraw/zinc/40/57/07/620405707.db2.gz VGYLYXQBIRTONT-QWRGUYRKSA-N 1 1 271.788 3.247 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCOC12CCCC2)c1ccc(F)cc1O ZINC000903381518 621723635 /nfs/dbraw/zinc/72/36/35/621723635.db2.gz AQVZJJOAWCAQLW-ABAIWWIYSA-N 1 1 279.355 3.284 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCOC12CCCC2)c1c(O)cccc1F ZINC000903386994 621726821 /nfs/dbraw/zinc/72/68/21/621726821.db2.gz FEUFYLJYTKKLST-RISCZKNCSA-N 1 1 279.355 3.284 20 10 CGCDMO N[C@@H](CC(F)F)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000903892072 621824772 /nfs/dbraw/zinc/82/47/72/621824772.db2.gz GPWGCFQXMICSSI-ZDUSSCGKSA-N 1 1 298.377 3.119 20 10 CGCDMO N[C@@H](CC(F)F)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000903892072 621824775 /nfs/dbraw/zinc/82/47/75/621824775.db2.gz GPWGCFQXMICSSI-ZDUSSCGKSA-N 1 1 298.377 3.119 20 10 CGCDMO CCOc1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2C)c(O)c1 ZINC000769445666 625568698 /nfs/dbraw/zinc/56/86/98/625568698.db2.gz JZBUSCIDFDXMFJ-QWHCGFSZSA-N 1 1 263.381 3.411 20 10 CGCDMO CC[C@H](C)C[N@@H+](CC)Cc1cccc(OC)c1O ZINC000156088427 622685514 /nfs/dbraw/zinc/68/55/14/622685514.db2.gz LDEOFLKSIUNLNO-LBPRGKRZSA-N 1 1 251.370 3.269 20 10 CGCDMO CC[N@H+](Cc1cc(C)cc(OC)c1O)CC(C)C ZINC000164090236 622813466 /nfs/dbraw/zinc/81/34/66/622813466.db2.gz AYFSLNFKMCJLFA-UHFFFAOYSA-N 1 1 251.370 3.187 20 10 CGCDMO CCC[C@H](C)[N@@H+](C)Cc1cc(C)cc(OC)c1O ZINC000754726525 623939838 /nfs/dbraw/zinc/93/98/38/623939838.db2.gz QJUTWZVHYTWWOE-LBPRGKRZSA-N 1 1 251.370 3.330 20 10 CGCDMO CC[C@H]1CCCC[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000915790351 624029115 /nfs/dbraw/zinc/02/91/15/624029115.db2.gz SXMTVRLUURQUOI-AWEZNQCLSA-N 1 1 263.381 3.474 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCc3ccccc3C2)c1 ZINC000154427177 624277709 /nfs/dbraw/zinc/27/77/09/624277709.db2.gz KZZFWZMGCHGHAF-UHFFFAOYSA-N 1 1 283.371 3.349 20 10 CGCDMO CCC[N@H+](CC(=O)OC)Cc1cc(C(C)C)c(C)cc1O ZINC000918177715 624340232 /nfs/dbraw/zinc/34/02/32/624340232.db2.gz JAGXMEHDTNLDHV-UHFFFAOYSA-N 1 1 293.407 3.209 20 10 CGCDMO CCC[N@@H+](CC(=O)OC)Cc1cc(C(C)C)c(C)cc1O ZINC000918177715 624340233 /nfs/dbraw/zinc/34/02/33/624340233.db2.gz JAGXMEHDTNLDHV-UHFFFAOYSA-N 1 1 293.407 3.209 20 10 CGCDMO C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1ccccc1O ZINC000179573595 624663783 /nfs/dbraw/zinc/66/37/83/624663783.db2.gz SRAZJPUROOUHSV-MRXNPFEDSA-N 1 1 296.414 3.099 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccccc1O ZINC000179573595 624663787 /nfs/dbraw/zinc/66/37/87/624663787.db2.gz SRAZJPUROOUHSV-MRXNPFEDSA-N 1 1 296.414 3.099 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccccc1O ZINC000179573595 624663794 /nfs/dbraw/zinc/66/37/94/624663794.db2.gz SRAZJPUROOUHSV-MRXNPFEDSA-N 1 1 296.414 3.099 20 10 CGCDMO Oc1ccc(F)cc1C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000180200805 624726539 /nfs/dbraw/zinc/72/65/39/624726539.db2.gz WUHREJPDCNVZAH-MRXNPFEDSA-N 1 1 293.382 3.455 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC=C(Br)C1 ZINC000877502160 635063125 /nfs/dbraw/zinc/06/31/25/635063125.db2.gz ZYXIARVDJMHZOK-UHFFFAOYSA-N 1 1 282.181 3.185 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000922730652 626040160 /nfs/dbraw/zinc/04/01/60/626040160.db2.gz MFEGLMSWAJUPOV-POYBYMJQSA-N 1 1 297.679 3.473 20 10 CGCDMO CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1[O-] ZINC000840808750 626190109 /nfs/dbraw/zinc/19/01/09/626190109.db2.gz DTOAAMXSDQHGDB-BBRMVZONSA-N 1 1 294.414 3.304 20 10 CGCDMO COC1CCC([NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000839169310 626324754 /nfs/dbraw/zinc/32/47/54/626324754.db2.gz RFTIFUXELPSVGS-UHFFFAOYSA-N 1 1 287.762 3.232 20 10 CGCDMO Cc1cc(C[N@@H+]2CCOC[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000753983499 626470672 /nfs/dbraw/zinc/47/06/72/626470672.db2.gz CSUZEIVSMAPNIB-CQSZACIVSA-N 1 1 291.435 3.466 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CC[C@H](C(C)C)C2)c1O ZINC000754740430 626585994 /nfs/dbraw/zinc/58/59/94/626585994.db2.gz RTDQSWQUTKCCKT-ZDUSSCGKSA-N 1 1 263.381 3.187 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCC(C)C)c1 ZINC000756370878 626697563 /nfs/dbraw/zinc/69/75/63/626697563.db2.gz KNZGVZVXLWNUAZ-LBPRGKRZSA-N 1 1 279.380 3.266 20 10 CGCDMO CC[C@H](C)[N@H+](C)CCN[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756529288 626712456 /nfs/dbraw/zinc/71/24/56/626712456.db2.gz RPHOHFIYZZREQD-OBJOEFQTSA-N 1 1 294.414 3.400 20 10 CGCDMO CC[C@H](C)[N@@H+](C)CCN[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756529288 626712459 /nfs/dbraw/zinc/71/24/59/626712459.db2.gz RPHOHFIYZZREQD-OBJOEFQTSA-N 1 1 294.414 3.400 20 10 CGCDMO CC[C@@H]1CCCCN1CC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000756575924 626716942 /nfs/dbraw/zinc/71/69/42/626716942.db2.gz RIHRYLSJSMRCFS-UKRRQHHQSA-N 1 1 294.414 3.446 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccon1)c1cc2c(cc1O)CCCC2 ZINC000756635310 626722609 /nfs/dbraw/zinc/72/26/09/626722609.db2.gz FQUJAKSXNYMAQV-LLVKDONJSA-N 1 1 272.348 3.110 20 10 CGCDMO CCC[N@H+](CC)CCN[C@H](C)c1cc(Cl)ccc1O ZINC000756638022 626723496 /nfs/dbraw/zinc/72/34/96/626723496.db2.gz QKYDGPHSTICLQF-GFCCVEGCSA-N 1 1 284.831 3.428 20 10 CGCDMO CCC[N@@H+](CC)CCN[C@H](C)c1cc(Cl)ccc1O ZINC000756638022 626723497 /nfs/dbraw/zinc/72/34/97/626723497.db2.gz QKYDGPHSTICLQF-GFCCVEGCSA-N 1 1 284.831 3.428 20 10 CGCDMO C[N@H+](Cc1ccccn1)Cc1c(O)cccc1Cl ZINC000757890010 626812556 /nfs/dbraw/zinc/81/25/56/626812556.db2.gz NVVAYSWOTKBUHV-UHFFFAOYSA-N 1 1 262.740 3.073 20 10 CGCDMO C[N@@H+](Cc1ccccn1)Cc1c(O)cccc1Cl ZINC000757890010 626812557 /nfs/dbraw/zinc/81/25/57/626812557.db2.gz NVVAYSWOTKBUHV-UHFFFAOYSA-N 1 1 262.740 3.073 20 10 CGCDMO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc(C)c(C)cc1O ZINC000768172931 627465626 /nfs/dbraw/zinc/46/56/26/627465626.db2.gz RSCQIELROQMATJ-UKRRQHHQSA-N 1 1 263.381 3.008 20 10 CGCDMO CC[N@@H+](CCOC)Cc1ccc(N2CCCCC2)cc1 ZINC000768251868 627470842 /nfs/dbraw/zinc/47/08/42/627470842.db2.gz MITQLINLWMZJJI-UHFFFAOYSA-N 1 1 276.424 3.145 20 10 CGCDMO CCC[C@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768337321 627474009 /nfs/dbraw/zinc/47/40/09/627474009.db2.gz DRCKHUHVVRTTDC-AWEZNQCLSA-N 1 1 294.414 3.283 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)C[C@H](C)O1 ZINC000768448628 627480491 /nfs/dbraw/zinc/48/04/91/627480491.db2.gz UFSSLPWJVFWLSH-SUMWQHHRSA-N 1 1 289.419 3.270 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCOc3ccccc3C2)cc1 ZINC000768941945 627510824 /nfs/dbraw/zinc/51/08/24/627510824.db2.gz WIWAVPDMTAMKGA-UHFFFAOYSA-N 1 1 282.387 3.147 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)c1O ZINC000769106705 627523439 /nfs/dbraw/zinc/52/34/39/627523439.db2.gz OABWNQHDKJUDAJ-INIZCTEOSA-N 1 1 299.370 3.444 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](C)CCN(C)c2ccccc2)c1 ZINC000769382558 627547178 /nfs/dbraw/zinc/54/71/78/627547178.db2.gz YDXRNHNWKXBMFH-UHFFFAOYSA-N 1 1 284.403 3.269 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000769388963 627547834 /nfs/dbraw/zinc/54/78/34/627547834.db2.gz KDRRGLGRFQGYFO-OAHLLOKOSA-N 1 1 270.376 3.335 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@@H]2c2cccc(F)c2)c1O ZINC000769508671 627561055 /nfs/dbraw/zinc/56/10/55/627561055.db2.gz UFWIYQAXMBWXLJ-OAHLLOKOSA-N 1 1 287.334 3.487 20 10 CGCDMO CN1CCN(c2ccc(C[NH2+]CCC3=CCCC3)cc2)CC1 ZINC000771862688 627737409 /nfs/dbraw/zinc/73/74/09/627737409.db2.gz VDYFRJGUMSYIGP-UHFFFAOYSA-N 1 1 299.462 3.028 20 10 CGCDMO CC[C@H](CSC)[N@@H+](C)Cc1cc(C)cc(OC)c1O ZINC000773259552 627869631 /nfs/dbraw/zinc/86/96/31/627869631.db2.gz WCLAHUOVPJUISO-CYBMUJFWSA-N 1 1 283.437 3.283 20 10 CGCDMO CCC[N@H+](Cc1cc(OC)c(OC)cc1O)CC(C)C ZINC000775653450 628120435 /nfs/dbraw/zinc/12/04/35/628120435.db2.gz GKEQVFSTRZQETC-UHFFFAOYSA-N 1 1 281.396 3.277 20 10 CGCDMO Cc1cccc(C[N@H+](C)C2Cc3ccccc3C2)c1O ZINC000775661480 628122196 /nfs/dbraw/zinc/12/21/96/628122196.db2.gz OLQCNZLMOJATIM-UHFFFAOYSA-N 1 1 267.372 3.300 20 10 CGCDMO COC(=O)CC[N@@H+](Cc1cc(Cl)cc(C)c1O)C(C)C ZINC000775702575 628127200 /nfs/dbraw/zinc/12/72/00/628127200.db2.gz YMMYLGMKISAXDB-UHFFFAOYSA-N 1 1 299.798 3.128 20 10 CGCDMO CCN1CC[C@@H]([N@H+](C)Cc2cccc(C)c2O)C[C@H]1C ZINC000775716388 628128665 /nfs/dbraw/zinc/12/86/65/628128665.db2.gz VREXBFHDFLBGED-GDBMZVCRSA-N 1 1 276.424 3.005 20 10 CGCDMO CCN1CC[C@@H]([N@@H+](C)Cc2cccc(C)c2O)C[C@H]1C ZINC000775716388 628128668 /nfs/dbraw/zinc/12/86/68/628128668.db2.gz VREXBFHDFLBGED-GDBMZVCRSA-N 1 1 276.424 3.005 20 10 CGCDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)ccc2O)C1(C)C ZINC000779027315 628384218 /nfs/dbraw/zinc/38/42/18/628384218.db2.gz QNBVRGMDAHESFP-LSDHHAIUSA-N 1 1 281.371 3.167 20 10 CGCDMO CN(C)CC[N@@H+](Cc1cc(Cl)ccc1O)C1CCCC1 ZINC000779176105 628392690 /nfs/dbraw/zinc/39/26/90/628392690.db2.gz ZYYVYMSBRHTJLF-UHFFFAOYSA-N 1 1 296.842 3.352 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1C ZINC000779431847 628413232 /nfs/dbraw/zinc/41/32/32/628413232.db2.gz FOQSZXSMDLCXNM-DOTOQJQBSA-N 1 1 291.435 3.238 20 10 CGCDMO CCc1cc(NCc2ccc3c(c2)CCCN3C)nc(C)[nH+]1 ZINC000782134522 628617693 /nfs/dbraw/zinc/61/76/93/628617693.db2.gz FVVGCPAHPBNZSH-UHFFFAOYSA-N 1 1 296.418 3.342 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCOCC3(CC3)C2)cc1C(C)C ZINC000782296842 628635413 /nfs/dbraw/zinc/63/54/13/628635413.db2.gz BUKHPOJXVUVTTK-UHFFFAOYSA-N 1 1 289.419 3.436 20 10 CGCDMO COCCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788496904 629059537 /nfs/dbraw/zinc/05/95/37/629059537.db2.gz BSPVTWUPNYVKJX-VIFPVBQESA-N 1 1 277.286 3.098 20 10 CGCDMO C[C@H]([NH2+]CCF)c1cccc(C(F)(F)F)c1O ZINC000788801046 629082451 /nfs/dbraw/zinc/08/24/51/629082451.db2.gz KJHHVKGFSFUBRR-ZETCQYMHSA-N 1 1 251.223 3.031 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000789518408 629141239 /nfs/dbraw/zinc/14/12/39/629141239.db2.gz YPURXXPSVDKGPX-HZPDHXFCSA-N 1 1 275.392 3.152 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)Cc2ccc(C)cn2)c1O ZINC000789588451 629148259 /nfs/dbraw/zinc/14/82/59/629148259.db2.gz BYKPGWIOVZXNFC-UHFFFAOYSA-N 1 1 286.375 3.126 20 10 CGCDMO Oc1ccc(CC[NH2+]Cc2c(O)ccc(Cl)c2F)cc1 ZINC000790958809 629242742 /nfs/dbraw/zinc/24/27/42/629242742.db2.gz SQFFTJMPNHBFLB-UHFFFAOYSA-N 1 1 295.741 3.223 20 10 CGCDMO CC(C)(CCCO)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790981319 629245739 /nfs/dbraw/zinc/24/57/39/629245739.db2.gz IGJZPAUZNSFOMZ-UHFFFAOYSA-N 1 1 289.778 3.073 20 10 CGCDMO C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@H]1CCCOC1 ZINC000790988782 629247055 /nfs/dbraw/zinc/24/70/55/629247055.db2.gz AQPNSQCJKMTZCI-ZJUUUORDSA-N 1 1 287.762 3.089 20 10 CGCDMO C[C@@H]1CC[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000790993739 629247963 /nfs/dbraw/zinc/24/79/63/629247963.db2.gz YKNHLFDZHQGXOM-BDAKNGLRSA-N 1 1 257.736 3.463 20 10 CGCDMO CCO[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792161845 629342338 /nfs/dbraw/zinc/34/23/38/629342338.db2.gz JVYPHYHJIFYEFJ-SNVBAGLBSA-N 1 1 287.762 3.186 20 10 CGCDMO CCO[C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792161845 629342342 /nfs/dbraw/zinc/34/23/42/629342342.db2.gz JVYPHYHJIFYEFJ-SNVBAGLBSA-N 1 1 287.762 3.186 20 10 CGCDMO CC(C)OCCC[N@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000792164725 629342458 /nfs/dbraw/zinc/34/24/58/629342458.db2.gz CTLLBLULYHJXQB-UHFFFAOYSA-N 1 1 289.778 3.432 20 10 CGCDMO CC(C)OCCC[N@@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000792164725 629342463 /nfs/dbraw/zinc/34/24/63/629342463.db2.gz CTLLBLULYHJXQB-UHFFFAOYSA-N 1 1 289.778 3.432 20 10 CGCDMO CCn1ccc(C[N@@H+](C)Cc2ccc(N(C)C)c(F)c2)c1 ZINC000792182988 629345578 /nfs/dbraw/zinc/34/55/78/629345578.db2.gz LMESZKPYPYWAQW-UHFFFAOYSA-N 1 1 289.398 3.345 20 10 CGCDMO COCC[N@@H+](Cc1c(O)cccc1OC)[C@@H]1CC[C@H](C)C1 ZINC000792192999 629347111 /nfs/dbraw/zinc/34/71/11/629347111.db2.gz PHKLYEQMGJBQIM-UONOGXRCSA-N 1 1 293.407 3.038 20 10 CGCDMO CCOc1cccc(C[N@@H+]2Cc3ccc(O)cc3C2)c1O ZINC000862450115 629381789 /nfs/dbraw/zinc/38/17/89/629381789.db2.gz OKGZMVDUFORUDH-UHFFFAOYSA-N 1 1 285.343 3.012 20 10 CGCDMO CCOc1cccc(C[N@H+]2Cc3ccc(O)cc3C2)c1O ZINC000862450115 629381796 /nfs/dbraw/zinc/38/17/96/629381796.db2.gz OKGZMVDUFORUDH-UHFFFAOYSA-N 1 1 285.343 3.012 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)c1O ZINC000862540846 629395595 /nfs/dbraw/zinc/39/55/95/629395595.db2.gz KZOAFZWXARSUKG-CQSZACIVSA-N 1 1 299.370 3.096 20 10 CGCDMO CC[C@@H]([NH2+]CCN1CCC[C@@H](C)C1)c1ccc(F)cc1O ZINC000796696833 629815920 /nfs/dbraw/zinc/81/59/20/629815920.db2.gz VSQFUJJJKSPYDL-CZUORRHYSA-N 1 1 294.414 3.304 20 10 CGCDMO CC[C@H]([NH2+]CCN1CCC[C@@H](C)C1)c1ccc(F)cc1O ZINC000796696832 629816121 /nfs/dbraw/zinc/81/61/21/629816121.db2.gz VSQFUJJJKSPYDL-CJNGLKHVSA-N 1 1 294.414 3.304 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc(F)cc1O ZINC000796774967 629831390 /nfs/dbraw/zinc/83/13/90/629831390.db2.gz AOTMCSXHZYKVPM-GXTWGEPZSA-N 1 1 283.387 3.369 20 10 CGCDMO CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc(F)cc1O ZINC000796774969 629831426 /nfs/dbraw/zinc/83/14/26/629831426.db2.gz AOTMCSXHZYKVPM-OCCSQVGLSA-N 1 1 283.387 3.369 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(F)cc1O ZINC000796838795 629845346 /nfs/dbraw/zinc/84/53/46/629845346.db2.gz ZOKDCEIQOQRXKY-TZMCWYRMSA-N 1 1 283.387 3.369 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC000798962667 630129447 /nfs/dbraw/zinc/12/94/47/630129447.db2.gz OODSUMRSHLXPJR-AWEZNQCLSA-N 1 1 268.360 3.085 20 10 CGCDMO CO[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)[C@@H](C)C1 ZINC000799736220 630228528 /nfs/dbraw/zinc/22/85/28/630228528.db2.gz IMHZNPZMNATQNN-UWVGGRQHSA-N 1 1 287.762 3.184 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)[C@@H](C)C1 ZINC000799736220 630228531 /nfs/dbraw/zinc/22/85/31/630228531.db2.gz IMHZNPZMNATQNN-UWVGGRQHSA-N 1 1 287.762 3.184 20 10 CGCDMO CCOc1ccc(C[N@@H+](Cc2cccnc2)C2CC2)c(O)c1 ZINC000809763840 630802396 /nfs/dbraw/zinc/80/23/96/630802396.db2.gz RQSFVLXKNQTHKY-UHFFFAOYSA-N 1 1 298.386 3.351 20 10 CGCDMO CCCCN(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000810245160 630859006 /nfs/dbraw/zinc/85/90/06/630859006.db2.gz STDYZDNIGDMFJN-CHWSQXEVSA-N 1 1 282.403 3.302 20 10 CGCDMO CCCN(CC)C[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000810264012 630862794 /nfs/dbraw/zinc/86/27/94/630862794.db2.gz WAMAVIXRDRBSJM-QWHCGFSZSA-N 1 1 282.403 3.302 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CCC1(F)F ZINC000811512904 631079498 /nfs/dbraw/zinc/07/94/98/631079498.db2.gz UCEZQYYRCJLYEG-LLVKDONJSA-N 1 1 286.341 3.369 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c1 ZINC000811781134 631119369 /nfs/dbraw/zinc/11/93/69/631119369.db2.gz UZKBRLCYARXNCS-LBPRGKRZSA-N 1 1 269.335 3.486 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000876534905 634852843 /nfs/dbraw/zinc/85/28/43/634852843.db2.gz HZBSMTYADMJNCC-NSHDSACASA-N 1 1 273.298 3.475 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C(C)C)[C@H]2CCOC2)cc1 ZINC000815117743 631720983 /nfs/dbraw/zinc/72/09/83/631720983.db2.gz BUCUSNDJDZCRHQ-KRWDZBQOSA-N 1 1 276.424 3.142 20 10 CGCDMO CSCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815553822 631793688 /nfs/dbraw/zinc/79/36/88/631793688.db2.gz KWPXBTXHIXPULL-QMMMGPOBSA-N 1 1 279.327 3.425 20 10 CGCDMO CC(C)[C@@H](CO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815587006 631801904 /nfs/dbraw/zinc/80/19/04/631801904.db2.gz WXOKBRNXWFCLPG-JOYOIKCWSA-N 1 1 291.313 3.079 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1ccc(F)cc1O ZINC000815648014 631812668 /nfs/dbraw/zinc/81/26/68/631812668.db2.gz BROZZJWETGHGJR-OCCSQVGLSA-N 1 1 295.398 3.371 20 10 CGCDMO CC(C)CCOCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816543082 632007439 /nfs/dbraw/zinc/00/74/39/632007439.db2.gz NOAHABLJJZEJKT-UHFFFAOYSA-N 1 1 289.778 3.337 20 10 CGCDMO CO[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)CC[C@@H]1C ZINC000816586393 632018404 /nfs/dbraw/zinc/01/84/04/632018404.db2.gz GSKJYKONPLQZGD-XPTSAGLGSA-N 1 1 287.762 3.042 20 10 CGCDMO CO[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)CC[C@@H]1C ZINC000816586393 632018411 /nfs/dbraw/zinc/01/84/11/632018411.db2.gz GSKJYKONPLQZGD-XPTSAGLGSA-N 1 1 287.762 3.042 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](O)C23CCCC3)c1O ZINC000816630552 632026590 /nfs/dbraw/zinc/02/65/90/632026590.db2.gz IREFFIZLVNFBRV-CQSZACIVSA-N 1 1 295.810 3.233 20 10 CGCDMO COc1c(O)c(C[NH2+]C(C)(C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000816625100 632027218 /nfs/dbraw/zinc/02/72/18/632027218.db2.gz RIYPVSGNNYTKRJ-UHFFFAOYSA-N 1 1 296.367 3.223 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCOC[C@H]2CC2CCC2)c1 ZINC000816667432 632041469 /nfs/dbraw/zinc/04/14/69/632041469.db2.gz NFISVMUISLKRPL-MRXNPFEDSA-N 1 1 275.392 3.092 20 10 CGCDMO CC[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000817415244 632145545 /nfs/dbraw/zinc/14/55/45/632145545.db2.gz PYZVXVVESZRBFS-GHMZBOCLSA-N 1 1 287.762 3.232 20 10 CGCDMO OCC[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC000817418731 632146306 /nfs/dbraw/zinc/14/63/06/632146306.db2.gz DDZRKYWEFZUSFQ-LBPRGKRZSA-N 1 1 283.799 3.030 20 10 CGCDMO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccs1 ZINC000817938320 632239277 /nfs/dbraw/zinc/23/92/77/632239277.db2.gz IZHYFGBKTFLFFD-WFASDCNBSA-N 1 1 289.448 3.165 20 10 CGCDMO C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc2ccccc2c1[O-] ZINC000817941811 632241035 /nfs/dbraw/zinc/24/10/35/632241035.db2.gz SGNHSTLLLUSHMN-CYBMUJFWSA-N 1 1 284.403 3.196 20 10 CGCDMO CC[C@H]([NH2+]C1CCC([NH3+])CC1)c1cc(Cl)ccc1[O-] ZINC000817947151 632242923 /nfs/dbraw/zinc/24/29/23/632242923.db2.gz LLSGEZKWGZUYLJ-YIZWMMSDSA-N 1 1 282.815 3.356 20 10 CGCDMO C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000817965602 632259851 /nfs/dbraw/zinc/25/98/51/632259851.db2.gz YDQLFZYUNSCTOG-LLVKDONJSA-N 1 1 282.815 3.086 20 10 CGCDMO C[C@@H]([NH2+][C@H](CCc1ccccc1)c1ccccc1O)[C@H](C)N ZINC000817977133 632268521 /nfs/dbraw/zinc/26/85/21/632268521.db2.gz CEKJELUENLAWHA-HDMKZQKVSA-N 1 1 298.430 3.391 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc2ccccc2c1[O-] ZINC000817982919 632272405 /nfs/dbraw/zinc/27/24/05/632272405.db2.gz WIDRLZIKRNQYFR-KCQAQPDRSA-N 1 1 284.403 3.323 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1[O-] ZINC000817983059 632273135 /nfs/dbraw/zinc/27/31/35/632273135.db2.gz XSWJWDKYUSHYHB-LOWVWBTDSA-N 1 1 282.815 3.132 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc2ccccc2c1[O-] ZINC000817982918 632273160 /nfs/dbraw/zinc/27/31/60/632273160.db2.gz WIDRLZIKRNQYFR-GZBFAFLISA-N 1 1 284.403 3.323 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(C)cc1O ZINC000818614453 632341926 /nfs/dbraw/zinc/34/19/26/632341926.db2.gz AXOSFQCZPBUORP-QLFBSQMISA-N 1 1 262.397 3.011 20 10 CGCDMO CC[C@H](C[C@H](C)O)[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000866633771 633222653 /nfs/dbraw/zinc/22/26/53/633222653.db2.gz LSXMDGQQZXFRKK-SUHUHFCYSA-N 1 1 269.360 3.122 20 10 CGCDMO C[C@H](C1CC1)[N@@H+](C)Cc1ccc(Br)cc1O ZINC000824567711 633259411 /nfs/dbraw/zinc/25/94/11/633259411.db2.gz UQZOWZJIFOFCDX-SECBINFHSA-N 1 1 284.197 3.385 20 10 CGCDMO Cc1ccc(C[N@@H+](C)Cc2ccc(Cl)nc2)c(O)c1 ZINC000876563060 634858512 /nfs/dbraw/zinc/85/85/12/634858512.db2.gz XAGZSYFHBVZGRW-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H]2C2CC2)c1O ZINC000824651029 633268416 /nfs/dbraw/zinc/26/84/16/633268416.db2.gz SPLVIHKNYJQLRA-LBPRGKRZSA-N 1 1 267.756 3.039 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCOC3(CCC3)C2)cc1Cl ZINC000824854658 633301422 /nfs/dbraw/zinc/30/14/22/633301422.db2.gz BPGTYDTXIVOZED-UHFFFAOYSA-N 1 1 281.783 3.109 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCOC3(CCC3)C2)cc1Cl ZINC000824854658 633301426 /nfs/dbraw/zinc/30/14/26/633301426.db2.gz BPGTYDTXIVOZED-UHFFFAOYSA-N 1 1 281.783 3.109 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1Cl ZINC000824895609 633302875 /nfs/dbraw/zinc/30/28/75/633302875.db2.gz ZZFNBCYEAIMAKT-QWHCGFSZSA-N 1 1 295.810 3.212 20 10 CGCDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(C)c2O)C12CCC2 ZINC000825104337 633329697 /nfs/dbraw/zinc/32/96/97/633329697.db2.gz UHMCHVYQKFAOOO-LSDHHAIUSA-N 1 1 275.392 3.090 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@]3(CCSC3)C2)c1O ZINC000825215095 633335985 /nfs/dbraw/zinc/33/59/85/633335985.db2.gz GQUJRISBWWYSCO-INIZCTEOSA-N 1 1 293.432 3.120 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000825215274 633336286 /nfs/dbraw/zinc/33/62/86/633336286.db2.gz KRNYQXILWWMEDA-OAHLLOKOSA-N 1 1 281.396 3.250 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000825215274 633336290 /nfs/dbraw/zinc/33/62/90/633336290.db2.gz KRNYQXILWWMEDA-OAHLLOKOSA-N 1 1 281.396 3.250 20 10 CGCDMO CC[NH+]1CCC(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825247793 633339331 /nfs/dbraw/zinc/33/93/31/633339331.db2.gz XFTUQUSQVKAQDC-UHFFFAOYSA-N 1 1 296.842 3.176 20 10 CGCDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000825321943 633345374 /nfs/dbraw/zinc/34/53/74/633345374.db2.gz SACXAAXSEIGEQW-CQSZACIVSA-N 1 1 294.414 3.140 20 10 CGCDMO CCc1nc(C[NH2+]Cc2cc(Cl)c(C)cc2O)co1 ZINC000826083435 633404155 /nfs/dbraw/zinc/40/41/55/633404155.db2.gz FJVNLKJZKPWDNE-UHFFFAOYSA-N 1 1 280.755 3.194 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)cc1F ZINC000826538706 633412433 /nfs/dbraw/zinc/41/24/33/633412433.db2.gz ILPOLCORSVTXSG-ZFWWWQNUSA-N 1 1 262.372 3.266 20 10 CGCDMO C[C@@H]1CCC[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2O)O1 ZINC000827252120 633476396 /nfs/dbraw/zinc/47/63/96/633476396.db2.gz XDSREUHMVYGNAD-MWLCHTKSSA-N 1 1 287.762 3.232 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)cc1 ZINC000827595823 633502619 /nfs/dbraw/zinc/50/26/19/633502619.db2.gz RDANCLIIZCHAEG-IRXDYDNUSA-N 1 1 288.435 3.001 20 10 CGCDMO Cc1cccc(C[N@H+]2Cc3cnn(C)c3CC(C)(C)C2)c1O ZINC000828018854 633550050 /nfs/dbraw/zinc/55/00/50/633550050.db2.gz NNEIBZDDIZGFDP-UHFFFAOYSA-N 1 1 299.418 3.019 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)c1nccnc1C)c1ccc(F)cc1O ZINC000872133073 634055101 /nfs/dbraw/zinc/05/51/01/634055101.db2.gz JXXHJFKACLDNFF-RISCZKNCSA-N 1 1 289.354 3.432 20 10 CGCDMO CN(C)CC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C(C)(C)C ZINC000834589878 634192836 /nfs/dbraw/zinc/19/28/36/634192836.db2.gz OVBIXLYQEZQJMT-HOCLYGCPSA-N 1 1 290.451 3.336 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2=CCCCC2)c1 ZINC000834834569 634252597 /nfs/dbraw/zinc/25/25/97/634252597.db2.gz CNAHEFWOHJGEEU-LBPRGKRZSA-N 1 1 289.375 3.330 20 10 CGCDMO Cc1ncsc1CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000834880844 634264719 /nfs/dbraw/zinc/26/47/19/634264719.db2.gz DNHICNZPKWUZNM-QMMMGPOBSA-N 1 1 298.358 3.329 20 10 CGCDMO CCOc1ccc(C[NH2+]Cc2ncc(Cl)s2)c(O)c1 ZINC000873164647 634268453 /nfs/dbraw/zinc/26/84/53/634268453.db2.gz CENLJWRPHXSRJC-UHFFFAOYSA-N 1 1 298.795 3.191 20 10 CGCDMO CCc1nc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)co1 ZINC000834896511 634273568 /nfs/dbraw/zinc/27/35/68/634273568.db2.gz CRPHAWBYCKSRGB-BXKDBHETSA-N 1 1 290.338 3.420 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)[C@H](OC)C1CC1)c1ccc(F)cc1O ZINC000834903990 634281174 /nfs/dbraw/zinc/28/11/74/634281174.db2.gz MQPNFCBXFUUUDQ-OOVXXXAESA-N 1 1 281.371 3.386 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1ccc(F)cc1O ZINC000834909535 634284696 /nfs/dbraw/zinc/28/46/96/634284696.db2.gz LNPTVOMKRQVBSC-NEPJUHHUSA-N 1 1 281.371 3.387 20 10 CGCDMO C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000873272898 634314874 /nfs/dbraw/zinc/31/48/74/634314874.db2.gz XCZSUBVNUNVWQQ-QWRGUYRKSA-N 1 1 282.815 3.084 20 10 CGCDMO CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000835029653 634325943 /nfs/dbraw/zinc/32/59/43/634325943.db2.gz YLPRQWNCHOBMKZ-YEODSOHDSA-N 1 1 288.435 3.267 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000835047449 634334414 /nfs/dbraw/zinc/33/44/14/634334414.db2.gz HQQAMRJFZIBYTQ-NJELEJDNSA-N 1 1 296.418 3.326 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000835047449 634334416 /nfs/dbraw/zinc/33/44/16/634334416.db2.gz HQQAMRJFZIBYTQ-NJELEJDNSA-N 1 1 296.418 3.326 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCCC[C@@H](N2CCCC2)C1 ZINC000876663369 634878061 /nfs/dbraw/zinc/87/80/61/634878061.db2.gz UBXSFTHJYRRKJK-MRXNPFEDSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1cccc(O)c1CN1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000876663369 634878066 /nfs/dbraw/zinc/87/80/66/634878066.db2.gz UBXSFTHJYRRKJK-MRXNPFEDSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1cccc(O)c1C[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000876724342 634887238 /nfs/dbraw/zinc/88/72/38/634887238.db2.gz UMFSIFALKDPOBT-AWEZNQCLSA-N 1 1 285.387 3.469 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)c(O)c1 ZINC000877524410 635071904 /nfs/dbraw/zinc/07/19/04/635071904.db2.gz XHHMQVZBXJAXHV-MRXNPFEDSA-N 1 1 268.360 3.433 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000840912995 635081196 /nfs/dbraw/zinc/08/11/96/635081196.db2.gz BNQQZKIUNFCRMO-SFHVURJKSA-N 1 1 298.434 3.095 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000840911961 635081225 /nfs/dbraw/zinc/08/12/25/635081225.db2.gz WGDOGPGAEXCRCM-KRWDZBQOSA-N 1 1 276.424 3.062 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000840911348 635081656 /nfs/dbraw/zinc/08/16/56/635081656.db2.gz XBQOKVJLPAVYCG-INIZCTEOSA-N 1 1 298.434 3.164 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000840911348 635081660 /nfs/dbraw/zinc/08/16/60/635081660.db2.gz XBQOKVJLPAVYCG-INIZCTEOSA-N 1 1 298.434 3.164 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000840911348 635081663 /nfs/dbraw/zinc/08/16/63/635081663.db2.gz XBQOKVJLPAVYCG-INIZCTEOSA-N 1 1 298.434 3.164 20 10 CGCDMO Cc1cc(O)c(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)c1 ZINC000840917643 635082348 /nfs/dbraw/zinc/08/23/48/635082348.db2.gz SZSZMQDTLOKOAZ-OLZOCXBDSA-N 1 1 294.826 3.023 20 10 CGCDMO CO[C@H]1C[N@@H+](Cc2c(O)cc(C)cc2Cl)CC[C@H]1C ZINC000840940125 635087143 /nfs/dbraw/zinc/08/71/43/635087143.db2.gz UWZFFLCAGZHEMN-ABAIWWIYSA-N 1 1 283.799 3.211 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000840943040 635088128 /nfs/dbraw/zinc/08/81/28/635088128.db2.gz GPBFDUWYPXYKJD-GOSISDBHSA-N 1 1 288.435 3.064 20 10 CGCDMO Cc1ccc(C)c(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000841040224 635112229 /nfs/dbraw/zinc/11/22/29/635112229.db2.gz IYFGTWOFVCIRAZ-LJQANCHMSA-N 1 1 297.446 3.159 20 10 CGCDMO [NH3+]C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])C1CCCCC1 ZINC000841039261 635112417 /nfs/dbraw/zinc/11/24/17/635112417.db2.gz HNBDFIWEGVXAGR-CQSZACIVSA-N 1 1 282.815 3.043 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000877652776 635132756 /nfs/dbraw/zinc/13/27/56/635132756.db2.gz NVIGFWAKMRLUIW-OLZOCXBDSA-N 1 1 263.406 3.171 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877737327 635171073 /nfs/dbraw/zinc/17/10/73/635171073.db2.gz FMJCLIUINTUSIS-JQWIXIFHSA-N 1 1 283.824 3.231 20 10 CGCDMO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000877796304 635207120 /nfs/dbraw/zinc/20/71/20/635207120.db2.gz CHQJDUPSMGQVPY-GFCCVEGCSA-N 1 1 283.799 3.029 20 10 CGCDMO C[C@@H]([NH2+]CC(C)(C)N(C)C)c1ccc(Cl)cc1O ZINC000841743946 635221500 /nfs/dbraw/zinc/22/15/00/635221500.db2.gz LETGFILUVSWZQH-SNVBAGLBSA-N 1 1 270.804 3.036 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccc(Cl)cc1O ZINC000841744772 635221695 /nfs/dbraw/zinc/22/16/95/635221695.db2.gz LAQDAKJSDGCKEU-GHMZBOCLSA-N 1 1 269.772 3.123 20 10 CGCDMO C[C@H]([NH2+]CC1(CO)CCCC1)c1ccc(Cl)cc1O ZINC000841752970 635227673 /nfs/dbraw/zinc/22/76/73/635227673.db2.gz RMSCLVRTWLIHFE-NSHDSACASA-N 1 1 283.799 3.249 20 10 CGCDMO COCC[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841754963 635228295 /nfs/dbraw/zinc/22/82/95/635228295.db2.gz DYKIXSCOIIDVEP-GHMZBOCLSA-N 1 1 271.788 3.369 20 10 CGCDMO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841756929 635230078 /nfs/dbraw/zinc/23/00/78/635230078.db2.gz LPFGRWXCIHAKLV-MNOVXSKESA-N 1 1 293.798 3.061 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1ccc(Cl)cc1O ZINC000841756731 635230268 /nfs/dbraw/zinc/23/02/68/635230268.db2.gz JOZSLPPDOFVDOU-HOTUBEGUSA-N 1 1 271.813 3.448 20 10 CGCDMO Cc1cccc(C[N@@H+](C)C(C)(C)CN2CCCC2)c1O ZINC000841893081 635248623 /nfs/dbraw/zinc/24/86/23/635248623.db2.gz DRXXBTKQOZGXPS-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO Cc1cccc(C[N@H+](C)C(C)(C)CN2CCCC2)c1O ZINC000841893081 635248626 /nfs/dbraw/zinc/24/86/26/635248626.db2.gz DRXXBTKQOZGXPS-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO CCC[N@@H+](CCOCC1CCC1)Cc1ccccc1O ZINC000842153847 635297995 /nfs/dbraw/zinc/29/79/95/635297995.db2.gz WCNZIXQJRDETHB-UHFFFAOYSA-N 1 1 277.408 3.421 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@H](CC)OC ZINC000842160139 635300757 /nfs/dbraw/zinc/30/07/57/635300757.db2.gz VBZVDVLCVICJFA-HNNXBMFYSA-N 1 1 265.397 3.419 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000842613187 635419382 /nfs/dbraw/zinc/41/93/82/635419382.db2.gz WOLCDBQTFTYMRJ-WBVHZDCISA-N 1 1 289.419 3.400 20 10 CGCDMO CC(C)c1noc([C@@H](C)[NH2+][C@@H](C)c2ccccc2O)n1 ZINC000879651995 635828681 /nfs/dbraw/zinc/82/86/81/635828681.db2.gz SLGBQFWZPLLJMY-WDEREUQCSA-N 1 1 275.352 3.310 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H](OC(C)C)C2)c1 ZINC000844718235 635956932 /nfs/dbraw/zinc/95/69/32/635956932.db2.gz DMNSFQFWJCRZBZ-MRXNPFEDSA-N 1 1 277.408 3.398 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(C)c(C)cc2O)[C@@H](C)CO1 ZINC000844729330 635957368 /nfs/dbraw/zinc/95/73/68/635957368.db2.gz HSXRYMFUESTGKS-DZGCQCFKSA-N 1 1 263.381 3.008 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@H](c3ccncc3)C2)ccc1N(C)C ZINC000846911519 636281286 /nfs/dbraw/zinc/28/12/86/636281286.db2.gz RXARJESNUKWWLE-SFHVURJKSA-N 1 1 295.430 3.446 20 10 CGCDMO C[C@@H](O)c1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000882917634 636462301 /nfs/dbraw/zinc/46/23/01/636462301.db2.gz QYQWBWIBCLFICD-SNVBAGLBSA-N 1 1 293.313 3.014 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000883003624 636502855 /nfs/dbraw/zinc/50/28/55/636502855.db2.gz XTGOQFKKUJHSFF-UHFFFAOYSA-N 1 1 286.423 3.197 20 10 CGCDMO Cc1ccc[nH+]c1NCc1cc(Br)ccc1O ZINC000130946375 636534676 /nfs/dbraw/zinc/53/46/76/636534676.db2.gz DNOZKZRTAXSFJZ-UHFFFAOYSA-N 1 1 293.164 3.470 20 10 CGCDMO COCC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccco1 ZINC000883085579 636535003 /nfs/dbraw/zinc/53/50/03/636535003.db2.gz VIGKAWAIKYKENA-ZDUSSCGKSA-N 1 1 297.301 3.131 20 10 CGCDMO CC(C)C[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)CCO1 ZINC000883084458 636535190 /nfs/dbraw/zinc/53/51/90/636535190.db2.gz RWTMAQZDVYOBRW-KBPBESRZSA-N 1 1 299.361 3.354 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000883162641 636561747 /nfs/dbraw/zinc/56/17/47/636561747.db2.gz ZIUBRMZLJOTSQQ-CYBMUJFWSA-N 1 1 297.345 3.252 20 10 CGCDMO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)C(=O)OC(C)(C)C ZINC000848562346 636607292 /nfs/dbraw/zinc/60/72/92/636607292.db2.gz IBHVEJPSBPPSIW-MNOVXSKESA-N 1 1 297.370 3.160 20 10 CGCDMO C[C@H](Cc1ccccn1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000848566595 636609518 /nfs/dbraw/zinc/60/95/18/636609518.db2.gz BVKSFPVPHCGNGB-SNVBAGLBSA-N 1 1 294.757 3.301 20 10 CGCDMO COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2O)C1 ZINC000883319905 636670008 /nfs/dbraw/zinc/67/00/08/636670008.db2.gz UQJLXLWDXPAEBD-JBLDHEPKSA-N 1 1 269.772 3.121 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@H](c3ccnn3C)C2)c1O ZINC000848883323 636672115 /nfs/dbraw/zinc/67/21/15/636672115.db2.gz MGXIWXDOVRIITB-HNNXBMFYSA-N 1 1 299.418 3.068 20 10 CGCDMO CCc1cccc(C[N@@H+](C)Cc2ccc(O)cc2)c1O ZINC000848910865 636686314 /nfs/dbraw/zinc/68/63/14/636686314.db2.gz ALAIQQBNZRYPMG-UHFFFAOYSA-N 1 1 271.360 3.292 20 10 CGCDMO CN(C)c1ccc(/C=C\C[NH+]2CC3(CC3(F)F)C2)cc1 ZINC000848922838 636694603 /nfs/dbraw/zinc/69/46/03/636694603.db2.gz XKYFLQBZNYEXPI-ARJAWSKDSA-N 1 1 278.346 3.107 20 10 CGCDMO C[C@H]([NH2+]C1CCC2(COC2)CC1)c1ccc(F)cc1O ZINC000883381163 636723646 /nfs/dbraw/zinc/72/36/46/636723646.db2.gz HUFWDBAMSFYDSC-NSHDSACASA-N 1 1 279.355 3.141 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)[C@@H](C)C(C)(C)C)c1 ZINC000132564776 636820878 /nfs/dbraw/zinc/82/08/78/636820878.db2.gz XXBMDJHYWUPQNB-NSHDSACASA-N 1 1 251.370 3.267 20 10 CGCDMO C[C@@H]([NH2+]Cc1ncccn1)c1ccc(N2CCCCC2)cc1 ZINC000850552645 637119401 /nfs/dbraw/zinc/11/94/01/637119401.db2.gz PCUHLGZYORFKMJ-OAHLLOKOSA-N 1 1 296.418 3.318 20 10 CGCDMO C[C@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccccc1 ZINC000850583226 637133297 /nfs/dbraw/zinc/13/32/97/637133297.db2.gz JQCQDAARIGMSLZ-NVGCLXPQSA-N 1 1 289.350 3.304 20 10 CGCDMO C[N@@H+](CCOc1ccc(F)cc1)Cc1ccccc1O ZINC000109770270 637267541 /nfs/dbraw/zinc/26/75/41/637267541.db2.gz RXCKSKWWCWHITE-UHFFFAOYSA-N 1 1 275.323 3.042 20 10 CGCDMO C[C@H]([NH2+]CCc1ccccc1O)c1c(O)cccc1F ZINC000886521366 637551194 /nfs/dbraw/zinc/55/11/94/637551194.db2.gz ZKERKCPTVYPZRR-NSHDSACASA-N 1 1 275.323 3.130 20 10 CGCDMO CO[C@@H](C[NH2+][C@@H](C)c1c(O)cccc1F)C(C)(C)C ZINC000886534274 637560026 /nfs/dbraw/zinc/56/00/26/637560026.db2.gz FELACUKDKPMBGJ-GWCFXTLKSA-N 1 1 269.360 3.243 20 10 CGCDMO COC1CCC(C[NH2+][C@H](C)c2c(O)cccc2F)CC1 ZINC000886536137 637562355 /nfs/dbraw/zinc/56/23/55/637562355.db2.gz BHHDCCCDYHISTJ-PNESKVBLSA-N 1 1 281.371 3.387 20 10 CGCDMO CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886554839 637577465 /nfs/dbraw/zinc/57/74/65/637577465.db2.gz DPBPKTIWMNMBHL-NHYWBVRUSA-N 1 1 283.387 3.225 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1c(O)cccc1F ZINC000886555685 637580179 /nfs/dbraw/zinc/58/01/79/637580179.db2.gz YVPXSDFSZGAXDD-MNOVXSKESA-N 1 1 267.344 3.140 20 10 CGCDMO CC[C@H](CSC)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886561914 637582535 /nfs/dbraw/zinc/58/25/35/637582535.db2.gz MLVSNRKTZPFLPQ-NXEZZACHSA-N 1 1 257.374 3.324 20 10 CGCDMO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1c(O)cccc1F ZINC000886562394 637582761 /nfs/dbraw/zinc/58/27/61/637582761.db2.gz YLPLKFRPPJNTOO-QMMBQJITSA-N 1 1 291.366 3.140 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1c(O)cccc1F ZINC000886591729 637596788 /nfs/dbraw/zinc/59/67/88/637596788.db2.gz AFFNJZACOWTNDD-JVLSTEMRSA-N 1 1 279.355 3.140 20 10 CGCDMO C[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1c(O)cccc1F ZINC000886592572 637597261 /nfs/dbraw/zinc/59/72/61/637597261.db2.gz XNCOMJWBGRCREP-JECHBYEQSA-N 1 1 293.382 3.387 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)[C@@H](O)c1ccccc1 ZINC000886610463 637603202 /nfs/dbraw/zinc/60/32/02/637603202.db2.gz BRLHRVAOQOBUMS-XWCIJXRUSA-N 1 1 289.350 3.304 20 10 CGCDMO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2c(O)cccc2F)[C@@H]1SC ZINC000886631866 637619944 /nfs/dbraw/zinc/61/99/44/637619944.db2.gz YFMWDQZIGAZLPO-XKFJNSEWSA-N 1 1 299.411 3.091 20 10 CGCDMO C[C@H](Cc1ccccn1)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886635165 637621717 /nfs/dbraw/zinc/62/17/17/637621717.db2.gz XSJLMPCHJWTXLO-NEPJUHHUSA-N 1 1 274.339 3.208 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1c(O)cccc1F ZINC000886646536 637626132 /nfs/dbraw/zinc/62/61/32/637626132.db2.gz MFPTZKLEQCXWMK-UBHSHLNASA-N 1 1 293.382 3.245 20 10 CGCDMO C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1c(O)cccc1F ZINC000886646921 637627257 /nfs/dbraw/zinc/62/72/57/637627257.db2.gz XPAHQLPGEMAUSH-LKEWCRSYSA-N 1 1 263.234 3.133 20 10 CGCDMO Cc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)CO)ccc1N(C)C ZINC000852428750 637652321 /nfs/dbraw/zinc/65/23/21/637652321.db2.gz WCUBNTJTTRLQOS-YJBOKZPZSA-N 1 1 290.451 3.044 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1ccc(F)cc1O ZINC000858546795 638758360 /nfs/dbraw/zinc/75/83/60/638758360.db2.gz FMRDKCJYWKIISH-NOLJZWGESA-N 1 1 279.355 3.140 20 10 CGCDMO C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1ccc(F)cc1O ZINC000927165192 638849635 /nfs/dbraw/zinc/84/96/35/638849635.db2.gz ZYYYLOBNJNPRCW-ABAIWWIYSA-N 1 1 279.355 3.284 20 10 CGCDMO Cc1nc(C)c(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)[nH]1 ZINC000929294928 638916579 /nfs/dbraw/zinc/91/65/79/638916579.db2.gz GYQSRSQRRVELBS-UHFFFAOYSA-N 1 1 298.434 3.257 20 10 CGCDMO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000859837231 639235073 /nfs/dbraw/zinc/23/50/73/639235073.db2.gz FJYQYEOZQVLTDQ-GFCCVEGCSA-N 1 1 268.351 3.372 20 10 CGCDMO CCN(C)c1ccc([C@H](C)NCC[N@H+](C)C(C)C)cc1 ZINC000155746287 639946872 /nfs/dbraw/zinc/94/68/72/639946872.db2.gz HZBDFCBZTNAZNI-HNNXBMFYSA-N 1 1 277.456 3.134 20 10 CGCDMO CCN(C)c1ccc([C@H](C)NCC[N@@H+](C)C(C)C)cc1 ZINC000155746287 639946879 /nfs/dbraw/zinc/94/68/79/639946879.db2.gz HZBDFCBZTNAZNI-HNNXBMFYSA-N 1 1 277.456 3.134 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c1O ZINC000156100955 639964423 /nfs/dbraw/zinc/96/44/23/639964423.db2.gz YMMGENZKJCLMMT-JSGCOSHPSA-N 1 1 261.365 3.165 20 10 CGCDMO CC(C)CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000078730507 640336506 /nfs/dbraw/zinc/33/65/06/640336506.db2.gz ZEXSPJWKXRARCL-UHFFFAOYSA-N 1 1 276.424 3.001 20 10 CGCDMO C[N@@H+](CCCc1ccc2c(c1)CCO2)Cc1ccccc1O ZINC000193240262 640443507 /nfs/dbraw/zinc/44/35/07/640443507.db2.gz KCKGRBJICLFPAW-UHFFFAOYSA-N 1 1 297.398 3.392 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC000245713941 640633483 /nfs/dbraw/zinc/63/34/83/640633483.db2.gz GMOOHUUEBIRNQQ-HZPDHXFCSA-N 1 1 288.435 3.001 20 10 CGCDMO CC(C)CO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000091964324 640727930 /nfs/dbraw/zinc/72/79/30/640727930.db2.gz GRVLPDXDZXQVSR-AWEZNQCLSA-N 1 1 283.799 3.293 20 10 CGCDMO C[C@H](O)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CCCCC1 ZINC000092974199 640752790 /nfs/dbraw/zinc/75/27/90/640752790.db2.gz ODSFNUADTYBKKY-HNNXBMFYSA-N 1 1 290.451 3.268 20 10 CGCDMO CCC[N@H+](Cc1cc(C)ccc1O)C[C@H]1CCCCO1 ZINC000093132475 640758175 /nfs/dbraw/zinc/75/81/75/640758175.db2.gz QFVRWNXVXDJPBU-MRXNPFEDSA-N 1 1 277.408 3.482 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@H](C)OC[C@H]2C)cc1C(C)C ZINC000249049608 640790641 /nfs/dbraw/zinc/79/06/41/640790641.db2.gz IOTYHAKAFMYRJL-KGLIPLIRSA-N 1 1 277.408 3.433 20 10 CGCDMO CCCC[C@@H](O)C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001252090084 805988518 /nfs/dbraw/zinc/98/85/18/805988518.db2.gz GZIGQIRYNSYWIQ-GOSISDBHSA-N 1 1 290.451 3.270 20 10 CGCDMO Cc1cc(NCc2ccc3c(c2)CCCN3C)nc(C)[nH+]1 ZINC000069716019 798914088 /nfs/dbraw/zinc/91/40/88/798914088.db2.gz HNDVRRMXLVXOBO-UHFFFAOYSA-N 1 1 282.391 3.088 20 10 CGCDMO CCOc1cccc(C[N@@H+](C(C)C)C2CCOCC2)c1O ZINC000093604834 798966631 /nfs/dbraw/zinc/96/66/31/798966631.db2.gz VTGPDTRTVDZRLO-UHFFFAOYSA-N 1 1 293.407 3.180 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@@H]2C)c1O ZINC000380690381 799365918 /nfs/dbraw/zinc/36/59/18/799365918.db2.gz BREIUXNSBRKLSI-UWVGGRQHSA-N 1 1 281.783 3.479 20 10 CGCDMO CC[N@H+](Cc1c(O)ccc2ccccc21)C[C@@H](C)OC ZINC000383227930 799401672 /nfs/dbraw/zinc/40/16/72/799401672.db2.gz AFYGGHPSQSRWIU-CYBMUJFWSA-N 1 1 273.376 3.402 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@](C)(CC)C2)c1O ZINC000399381223 799538055 /nfs/dbraw/zinc/53/80/55/799538055.db2.gz ZPYLFHMJIQOWCG-INIZCTEOSA-N 1 1 263.381 3.413 20 10 CGCDMO C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccc(F)cc1O ZINC000689225086 799763015 /nfs/dbraw/zinc/76/30/15/799763015.db2.gz NBDMCFFXUGOEST-UFBFGSQYSA-N 1 1 259.271 3.227 20 10 CGCDMO CCO[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000701668374 799893312 /nfs/dbraw/zinc/89/33/12/799893312.db2.gz PWVHPZQSCMZLAV-CQSZACIVSA-N 1 1 271.360 3.156 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000707128916 799974120 /nfs/dbraw/zinc/97/41/20/799974120.db2.gz CLKAATXTXWDRDA-SNVBAGLBSA-N 1 1 284.197 3.387 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCC1(F)CCC1 ZINC000708393820 799988141 /nfs/dbraw/zinc/98/81/41/799988141.db2.gz JHJJVSRSCFGIKI-UHFFFAOYSA-N 1 1 259.271 3.042 20 10 CGCDMO COC[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001116442931 802348534 /nfs/dbraw/zinc/34/85/34/802348534.db2.gz YHYIYVDYNVGZDI-KRWDZBQOSA-N 1 1 288.435 3.145 20 10 CGCDMO CCC[N@@H+](Cc1cc(Cl)n(C)n1)Cc1ccccc1O ZINC001118816201 802608115 /nfs/dbraw/zinc/60/81/15/802608115.db2.gz OKXHNNJOZXOTGC-UHFFFAOYSA-N 1 1 293.798 3.191 20 10 CGCDMO COc1ccccc1CC[N@H+](C)Cc1c(O)cccc1F ZINC001137838657 803780860 /nfs/dbraw/zinc/78/08/60/803780860.db2.gz GDEHYBWJNCLEOS-UHFFFAOYSA-N 1 1 289.350 3.214 20 10 CGCDMO COc1ccccc1CC[N@@H+](C)Cc1c(O)cccc1F ZINC001137838657 803780868 /nfs/dbraw/zinc/78/08/68/803780868.db2.gz GDEHYBWJNCLEOS-UHFFFAOYSA-N 1 1 289.350 3.214 20 10 CGCDMO C[N@H+](Cc1ccccc1O)Cc1ccc(F)c(F)c1F ZINC001137940157 803805347 /nfs/dbraw/zinc/80/53/47/803805347.db2.gz KGQMMYVITVGSHB-UHFFFAOYSA-N 1 1 281.277 3.442 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1ccc(F)c(F)c1F ZINC001137940157 803805355 /nfs/dbraw/zinc/80/53/55/803805355.db2.gz KGQMMYVITVGSHB-UHFFFAOYSA-N 1 1 281.277 3.442 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001138127656 803863401 /nfs/dbraw/zinc/86/34/01/803863401.db2.gz KCEDSDYXDSLSGN-JTQLQIEISA-N 1 1 259.271 3.008 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001138127656 803863410 /nfs/dbraw/zinc/86/34/10/803863410.db2.gz KCEDSDYXDSLSGN-JTQLQIEISA-N 1 1 259.271 3.008 20 10 CGCDMO Cc1c(C[N@H+]2CCO[C@@H](C(C)C)C2)c2ccccc2n1C ZINC001138258059 803883635 /nfs/dbraw/zinc/88/36/35/803883635.db2.gz JSECERAKKOCUPP-GOSISDBHSA-N 1 1 286.419 3.344 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCN3C)[C@@H](C)C1 ZINC001138360144 803903308 /nfs/dbraw/zinc/90/33/08/803903308.db2.gz NQHRBFXSNJUPNH-WMLDXEAASA-N 1 1 288.435 3.068 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](CC)CCOC)c(OC)c1 ZINC001138388187 803912137 /nfs/dbraw/zinc/91/21/37/803912137.db2.gz RXAGANZLPDSXIS-UHFFFAOYSA-N 1 1 294.439 3.010 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@H](CF)C2)ccc1N(C)C ZINC001139672998 804247897 /nfs/dbraw/zinc/24/78/97/804247897.db2.gz MYYVYXXYHQGJKR-OAHLLOKOSA-N 1 1 264.388 3.243 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1cccc(F)n1 ZINC001140133574 804384644 /nfs/dbraw/zinc/38/46/44/804384644.db2.gz OGMUTVFWBBJXQU-UHFFFAOYSA-N 1 1 299.393 3.453 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCC[C@]1(C)O ZINC001140337891 804417450 /nfs/dbraw/zinc/41/74/50/804417450.db2.gz LMYUGBUEHBSYCW-ABAIWWIYSA-N 1 1 283.799 3.029 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCC[C@@]1(C)O ZINC001140337892 804418273 /nfs/dbraw/zinc/41/82/73/804418273.db2.gz LMYUGBUEHBSYCW-IAQYHMDHSA-N 1 1 283.799 3.029 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001140339420 804420318 /nfs/dbraw/zinc/42/03/18/804420318.db2.gz UUYFZWWXVYNSJS-XHDPSFHLSA-N 1 1 281.783 3.047 20 10 CGCDMO C[N@@H+](Cc1cncs1)Cc1ccc(Cl)cc1O ZINC001140464678 804441961 /nfs/dbraw/zinc/44/19/61/804441961.db2.gz ZXARITOHGLKONQ-UHFFFAOYSA-N 1 1 268.769 3.134 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@@H+]1CCc2occc2C1 ZINC001140466149 804444132 /nfs/dbraw/zinc/44/41/32/804444132.db2.gz YWWVGYNCOLPMQR-UHFFFAOYSA-N 1 1 263.724 3.197 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCc2occc2C1 ZINC001140466149 804444136 /nfs/dbraw/zinc/44/41/36/804444136.db2.gz YWWVGYNCOLPMQR-UHFFFAOYSA-N 1 1 263.724 3.197 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](C(F)F)C2)c1 ZINC001140621262 804476814 /nfs/dbraw/zinc/47/68/14/804476814.db2.gz SQHIIPDZXVFGFI-NSHDSACASA-N 1 1 255.308 3.178 20 10 CGCDMO Cc1ccccc1C[N@H+](C)Cc1ccc(O)c(C)c1O ZINC001140746036 804503664 /nfs/dbraw/zinc/50/36/64/804503664.db2.gz SYEKMMHLBNUTHJ-UHFFFAOYSA-N 1 1 271.360 3.347 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](CC)C2CC2)c(O)c1 ZINC001140850214 804533785 /nfs/dbraw/zinc/53/37/85/804533785.db2.gz GTTMGTWTJUJTCN-UHFFFAOYSA-N 1 1 262.397 3.223 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@@H](Oc3cccnc3)C2)c(O)c1 ZINC001140949380 804556692 /nfs/dbraw/zinc/55/66/92/804556692.db2.gz ALWYOEDQARIIDL-QGZVFWFLSA-N 1 1 298.386 3.139 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)c(O)c1 ZINC001140948518 804556874 /nfs/dbraw/zinc/55/68/74/804556874.db2.gz LHBJZQHWSNOBLK-ZDUSSCGKSA-N 1 1 273.298 3.270 20 10 CGCDMO Cc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)c(O)c1 ZINC001140952248 804557410 /nfs/dbraw/zinc/55/74/10/804557410.db2.gz KBFHENWRSHXOCQ-UHFFFAOYSA-N 1 1 296.414 3.018 20 10 CGCDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141143820 804596687 /nfs/dbraw/zinc/59/66/87/804596687.db2.gz LKYQYVWQRNGXHB-OAHLLOKOSA-N 1 1 274.408 3.280 20 10 CGCDMO CN1CCOc2cc(C[N@H+]3CCC[C@@](C)(F)CC3)ccc21 ZINC001141139816 804596750 /nfs/dbraw/zinc/59/67/50/804596750.db2.gz CMFFFSCASCAYOW-QGZVFWFLSA-N 1 1 292.398 3.229 20 10 CGCDMO CN1CCOc2cc(C[N@H+]3CCC[C@@H]4CCC[C@H]43)ccc21 ZINC001141143526 804596765 /nfs/dbraw/zinc/59/67/65/804596765.db2.gz CHSKSPFUKXVADO-JKSUJKDBSA-N 1 1 286.419 3.280 20 10 CGCDMO CN1CCOc2cc(C[N@H+]3CCC34CCCC4)ccc21 ZINC001141140821 804597252 /nfs/dbraw/zinc/59/72/52/804597252.db2.gz POMZZIJEJBOEIR-UHFFFAOYSA-N 1 1 272.392 3.034 20 10 CGCDMO CC[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1O ZINC001141155817 804599799 /nfs/dbraw/zinc/59/97/99/804599799.db2.gz KOYUOEFLLRAXDP-UHFFFAOYSA-N 1 1 257.333 3.120 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246920627 804600910 /nfs/dbraw/zinc/60/09/10/804600910.db2.gz JFMRFDFYNZMTBU-QGZVFWFLSA-N 1 1 289.467 3.105 20 10 CGCDMO CC[N@@H+](Cc1sccc1OC)Cc1ccccc1O ZINC001141327093 804631721 /nfs/dbraw/zinc/63/17/21/804631721.db2.gz JFAHSBSNMZWEIK-UHFFFAOYSA-N 1 1 277.389 3.484 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH+]1CCC(C(F)F)CC1 ZINC001142525067 804731687 /nfs/dbraw/zinc/73/16/87/804731687.db2.gz VWKKLMKUIBMZES-UHFFFAOYSA-N 1 1 277.261 3.148 20 10 CGCDMO C[C@@H]1C[C@@H](C)C[NH+](Cc2cc(F)c(F)cc2O)C1 ZINC001142527070 804734086 /nfs/dbraw/zinc/73/40/86/804734086.db2.gz JQEQTTHCASIYOK-NXEZZACHSA-N 1 1 255.308 3.148 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)C[C@H](C)O1 ZINC001143101217 804800315 /nfs/dbraw/zinc/80/03/15/804800315.db2.gz BKCKQRUWOWMKSP-BETUJISGSA-N 1 1 277.408 3.299 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)c1O ZINC001143111923 804803176 /nfs/dbraw/zinc/80/31/76/804803176.db2.gz IJGNHURTQHSCEB-BBRMVZONSA-N 1 1 289.419 3.301 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)Cc1cccc(O)c1C ZINC001144116906 804938035 /nfs/dbraw/zinc/93/80/35/804938035.db2.gz FBKYTZQMZJQYGX-UHFFFAOYSA-N 1 1 271.360 3.428 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001167733910 807235829 /nfs/dbraw/zinc/23/58/29/807235829.db2.gz FSBUAQGUJMZBHC-UHFFFAOYSA-N 1 1 290.294 3.072 20 10 CGCDMO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc3ccccc3cc1O)C2 ZINC001169108656 807578575 /nfs/dbraw/zinc/57/85/75/807578575.db2.gz URQOAGQVXLUELY-NNZMDNLPSA-N 1 1 296.414 3.260 20 10 CGCDMO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001171778181 808136719 /nfs/dbraw/zinc/13/67/19/808136719.db2.gz JYWYNXPLXRGXRB-OAHLLOKOSA-N 1 1 276.424 3.142 20 10 CGCDMO COc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1C ZINC001172118233 808180073 /nfs/dbraw/zinc/18/00/73/808180073.db2.gz PMXBONOJJNUYNZ-BJWYYQGGSA-N 1 1 288.435 3.109 20 10 CGCDMO COc1ccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1C ZINC001172118233 808180075 /nfs/dbraw/zinc/18/00/75/808180075.db2.gz PMXBONOJJNUYNZ-BJWYYQGGSA-N 1 1 288.435 3.109 20 10 CGCDMO COc1ccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C ZINC001172118233 808180077 /nfs/dbraw/zinc/18/00/77/808180077.db2.gz PMXBONOJJNUYNZ-BJWYYQGGSA-N 1 1 288.435 3.109 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172246157 808210227 /nfs/dbraw/zinc/21/02/27/808210227.db2.gz XNQYIOCZUQKZBL-AYHJJNSGSA-N 1 1 286.419 3.061 20 10 CGCDMO CCSC[C@H](C)[N@@H+](CC)Cc1ccccc1O ZINC001173312258 808606152 /nfs/dbraw/zinc/60/61/52/808606152.db2.gz SBLKHZFNFAFKOK-LBPRGKRZSA-N 1 1 253.411 3.356 20 10 CGCDMO CC[N@H+]1C[C@@H](C)N(Cc2cc(Cl)c(C)cc2O)C[C@@H]1C ZINC001180141336 809977350 /nfs/dbraw/zinc/97/73/50/809977350.db2.gz GEWQCMGWZPMMFY-QWHCGFSZSA-N 1 1 296.842 3.269 20 10 CGCDMO Cc1ccc(C[N@@H+]2Cc3ccccc3OC[C@H]2C)c(O)c1 ZINC001180812219 810023208 /nfs/dbraw/zinc/02/32/08/810023208.db2.gz XGTAMBZZKRHTFZ-CQSZACIVSA-N 1 1 283.371 3.484 20 10 CGCDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001181335717 810047301 /nfs/dbraw/zinc/04/73/01/810047301.db2.gz FLDGFDSBKWZSIY-HNNXBMFYSA-N 1 1 283.799 3.173 20 10 CGCDMO CO[C@H](C[NH2+]Cc1c(O)cccc1F)C1CCCCC1 ZINC001183919996 810169510 /nfs/dbraw/zinc/16/95/10/810169510.db2.gz SBLLPCQTTVVKEN-MRXNPFEDSA-N 1 1 281.371 3.216 20 10 CGCDMO COc1ccccc1O[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC001203556427 812390573 /nfs/dbraw/zinc/39/05/73/812390573.db2.gz PLZZIMRQJHTHSS-HNNXBMFYSA-N 1 1 299.370 3.054 20 10 CGCDMO CCOc1cccc(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)c1O ZINC001203602107 812405094 /nfs/dbraw/zinc/40/50/94/812405094.db2.gz AAJSNIOXOSFBMP-HIFRSBDPSA-N 1 1 285.334 3.063 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@](C)(F)[C@H](F)C2)c1O ZINC001203602107 812405097 /nfs/dbraw/zinc/40/50/97/812405097.db2.gz AAJSNIOXOSFBMP-HIFRSBDPSA-N 1 1 285.334 3.063 20 10 CGCDMO CCCC[N@@H+](CCC)Cc1ccc(OC)cc1O ZINC001203628580 812411220 /nfs/dbraw/zinc/41/12/20/812411220.db2.gz BXZPJLAAEPUYTI-UHFFFAOYSA-N 1 1 251.370 3.413 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCC[C@@]1(C)O ZINC001203650840 812415807 /nfs/dbraw/zinc/41/58/07/812415807.db2.gz FIHJXGXSJFROIO-IAQYHMDHSA-N 1 1 283.799 3.029 20 10 CGCDMO COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203658745 812419396 /nfs/dbraw/zinc/41/93/96/812419396.db2.gz NLVDBLCBSAMIPM-CJNGLKHVSA-N 1 1 295.810 3.294 20 10 CGCDMO Oc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)cc1O ZINC001203881302 812480203 /nfs/dbraw/zinc/48/02/03/812480203.db2.gz OTNXNUSZQQPFPK-KGLIPLIRSA-N 1 1 261.365 3.252 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1 ZINC001203939388 812497329 /nfs/dbraw/zinc/49/73/29/812497329.db2.gz ARCTYHAXCWXUNE-XIRDDKMYSA-N 1 1 276.399 3.323 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](O)[C@@H](C)C2)cc1 ZINC001203940299 812497778 /nfs/dbraw/zinc/49/77/78/812497778.db2.gz LONIGDWMYMURPZ-MAUKXSAKSA-N 1 1 290.451 3.126 20 10 CGCDMO Cc1ccsc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001204023467 812524728 /nfs/dbraw/zinc/52/47/28/812524728.db2.gz JZXGQLQUSSKZSR-UHFFFAOYSA-N 1 1 259.374 3.320 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c2ccccc21 ZINC001204232836 812579833 /nfs/dbraw/zinc/57/98/33/812579833.db2.gz KHKALRZQADWICZ-IYBDPMFKSA-N 1 1 296.414 3.269 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC(=O)CC2)c2ccccc21 ZINC001204235090 812581732 /nfs/dbraw/zinc/58/17/32/812581732.db2.gz FYOJDLJBGMZBPD-UHFFFAOYSA-N 1 1 296.414 3.461 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@](C)(O)C2)c2ccccc21 ZINC001204242812 812583665 /nfs/dbraw/zinc/58/36/65/812583665.db2.gz SFRCWGBYKMOOHJ-IBGZPJMESA-N 1 1 298.430 3.253 20 10 CGCDMO CCC(CC)[N@@H+](CCOC)Cc1cc(C)cc(OC)c1O ZINC001204315854 812609180 /nfs/dbraw/zinc/60/91/80/812609180.db2.gz ZPSUWFYXLOTIST-UHFFFAOYSA-N 1 1 295.423 3.346 20 10 CGCDMO F[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H]2C[C@@H]21 ZINC001204323218 812613431 /nfs/dbraw/zinc/61/34/31/812613431.db2.gz GFGOUONAWPVNNZ-BHYGNILZSA-N 1 1 274.383 3.077 20 10 CGCDMO O=C1CCC[C@H]2C[N@@H+](Cc3ccc(N4CCCC4)cc3)C[C@H]12 ZINC001204329337 812613998 /nfs/dbraw/zinc/61/39/98/812613998.db2.gz MQRTVHZDHJLQGV-WMZOPIPTSA-N 1 1 298.430 3.088 20 10 CGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CCCCC12COC2 ZINC001204326997 812614486 /nfs/dbraw/zinc/61/44/86/812614486.db2.gz LBIQYEGHAJJJGX-UHFFFAOYSA-N 1 1 286.419 3.042 20 10 CGCDMO C[C@@]1(O)CCCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204326451 812614794 /nfs/dbraw/zinc/61/47/94/812614794.db2.gz YFHQINXVRRLMRU-GOSISDBHSA-N 1 1 288.435 3.024 20 10 CGCDMO COc1cc(C[N@@H+]2CC[C@H]2c2ccccc2)cc(O)c1O ZINC001204346566 812616006 /nfs/dbraw/zinc/61/60/06/812616006.db2.gz VCZKKPPFBZNCLK-AWEZNQCLSA-N 1 1 285.343 3.053 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@H]2c2ccccc2)cc(O)c1O ZINC001204346566 812616012 /nfs/dbraw/zinc/61/60/12/812616012.db2.gz VCZKKPPFBZNCLK-AWEZNQCLSA-N 1 1 285.343 3.053 20 10 CGCDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2ccc(C)cc2O)C1(C)C ZINC001204359004 812621629 /nfs/dbraw/zinc/62/16/29/812621629.db2.gz NYRWXWMLCCOHTH-WBVHZDCISA-N 1 1 277.408 3.336 20 10 CGCDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(N)cc1 ZINC001205164369 812893934 /nfs/dbraw/zinc/89/39/34/812893934.db2.gz DQKVMEYDWOLQEW-CYBMUJFWSA-N 1 1 252.361 3.388 20 10 CGCDMO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1cccc(=O)[nH]1 ZINC001207071674 813479003 /nfs/dbraw/zinc/47/90/03/813479003.db2.gz SAFJMZTVBAIZMM-UHFFFAOYSA-N 1 1 297.402 3.019 20 10 CGCDMO CC[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001207101271 813487678 /nfs/dbraw/zinc/48/76/78/813487678.db2.gz HJOZPZPLQVOVDC-OAHLLOKOSA-N 1 1 283.799 3.091 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](CF)C1 ZINC001207316409 813539810 /nfs/dbraw/zinc/53/98/10/813539810.db2.gz ZEXAXXJHQPTRFG-AWEZNQCLSA-N 1 1 264.388 3.243 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](CF)C1 ZINC001207316411 813540015 /nfs/dbraw/zinc/54/00/15/813540015.db2.gz ZEXAXXJHQPTRFG-CQSZACIVSA-N 1 1 264.388 3.243 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207631483 813621564 /nfs/dbraw/zinc/62/15/64/813621564.db2.gz ICPYJRSHDCMHFL-SQWLQELKSA-N 1 1 257.377 3.426 20 10 CGCDMO Oc1cccc2c1C[N@@H+](CC1Cc3ccccc3C1)CC2 ZINC001209322248 813998278 /nfs/dbraw/zinc/99/82/78/813998278.db2.gz DJRVTQLOWZXXNP-UHFFFAOYSA-N 1 1 279.383 3.165 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@@]23CCOC3)cc1 ZINC001209517504 814071805 /nfs/dbraw/zinc/07/18/05/814071805.db2.gz DGUWASBPFZKDCB-IBGZPJMESA-N 1 1 296.414 3.459 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@H](O)C[C@@H]2C)cc1 ZINC001209520116 814072981 /nfs/dbraw/zinc/07/29/81/814072981.db2.gz NJTYDLNYTVCBTQ-QFBILLFUSA-N 1 1 298.430 3.439 20 10 CGCDMO C[C@@H]1CC(=O)CC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC001231587560 818129145 /nfs/dbraw/zinc/12/91/45/818129145.db2.gz FMYJBEREEWJIMJ-GFCCVEGCSA-N 1 1 269.344 3.099 20 10 CGCDMO Cc1cccc(C[N@@H+](C)CCC(=O)c2ccccc2)c1O ZINC001231592461 818131416 /nfs/dbraw/zinc/13/14/16/818131416.db2.gz MPMZLEJQLIIEAA-UHFFFAOYSA-N 1 1 283.371 3.405 20 10 CGCDMO Cc1cccc(C[N@@H+](C)C[C@@H]2Cc3ccccc3O2)c1O ZINC001231594389 818132396 /nfs/dbraw/zinc/13/23/96/818132396.db2.gz DDWWFRUSFPQINJ-INIZCTEOSA-N 1 1 283.371 3.136 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@@H]2c2ccccc2)c(O)cc1O ZINC001231635423 818144051 /nfs/dbraw/zinc/14/40/51/818144051.db2.gz IKDCEKISQWCIRO-OAHLLOKOSA-N 1 1 299.370 3.444 20 10 CGCDMO CCCCCN1CC[NH+](Cc2c(C)cc(C)cc2O)CC1 ZINC001231845866 818187720 /nfs/dbraw/zinc/18/77/20/818187720.db2.gz RWRVVHBDIRFSMK-UHFFFAOYSA-N 1 1 290.451 3.317 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CC2CCC1CC2 ZINC001231853775 818188538 /nfs/dbraw/zinc/18/85/38/818188538.db2.gz QPDZYSDDOUVEQO-UHFFFAOYSA-N 1 1 274.408 3.136 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cc1Cl ZINC001231869586 818193678 /nfs/dbraw/zinc/19/36/78/818193678.db2.gz RIFGTTJNJAMCSP-XHVZSJERSA-N 1 1 269.747 3.286 20 10 CGCDMO Cc1cc(C[N@H+](C)Cc2cc(Cl)c(C)cc2O)n(C)n1 ZINC001231870582 818194307 /nfs/dbraw/zinc/19/43/07/818194307.db2.gz KNSZNYZBBBRTDI-UHFFFAOYSA-N 1 1 293.798 3.028 20 10 CGCDMO Cc1cc(C[N@@H+](C)Cc2cc(Cl)c(C)cc2O)n(C)n1 ZINC001231870582 818194312 /nfs/dbraw/zinc/19/43/12/818194312.db2.gz KNSZNYZBBBRTDI-UHFFFAOYSA-N 1 1 293.798 3.028 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CC[C@@]1(C)O ZINC001231879578 818199668 /nfs/dbraw/zinc/19/96/68/818199668.db2.gz JAWYBLKINQGSPJ-FZKQIMNGSA-N 1 1 285.387 3.138 20 10 CGCDMO C[C@@H]1CC(=O)CC[N@H+]1Cc1ccc2ccccc2c1O ZINC001231879522 818199688 /nfs/dbraw/zinc/19/96/88/818199688.db2.gz GVTKPOINHGGCBM-GFCCVEGCSA-N 1 1 269.344 3.099 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CCC[C@H]1O ZINC001231879469 818199809 /nfs/dbraw/zinc/19/98/09/818199809.db2.gz DFOBDEGHGVBPCJ-SUMWQHHRSA-N 1 1 285.387 3.138 20 10 CGCDMO C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1ccc2ccccc2c1O ZINC001231879236 818200016 /nfs/dbraw/zinc/20/00/16/818200016.db2.gz AYEWPZQJWMSPBO-UONOGXRCSA-N 1 1 285.387 3.138 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)CC[C@H]1O ZINC001231879374 818200431 /nfs/dbraw/zinc/20/04/31/818200431.db2.gz CYPPANYXRFKGNU-SUMWQHHRSA-N 1 1 285.387 3.138 20 10 CGCDMO CC[C@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232195861 818275219 /nfs/dbraw/zinc/27/52/19/818275219.db2.gz ZYGJKDOGNJIIIC-ZDUSSCGKSA-N 1 1 296.842 3.407 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1cc(Cl)c(O)cc1O ZINC001232262609 818298490 /nfs/dbraw/zinc/29/84/90/818298490.db2.gz LGETUUWJLWKZKT-UHFFFAOYSA-N 1 1 293.750 3.089 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](CF)C2)cc1Cl ZINC001232269603 818299361 /nfs/dbraw/zinc/29/93/61/818299361.db2.gz GLVPAOYREUHDNY-JTQLQIEISA-N 1 1 287.762 3.236 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CCC[C@@H](C(F)F)C2)cc1Cl ZINC001232268868 818301189 /nfs/dbraw/zinc/30/11/89/818301189.db2.gz VBSLRPTUWQARLC-MRVPVSSYSA-N 1 1 291.725 3.228 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCCC[C@@H](O)C2)c1 ZINC001233284201 818565217 /nfs/dbraw/zinc/56/52/17/818565217.db2.gz LYQPPTAEYDSSLX-OAHLLOKOSA-N 1 1 277.408 3.037 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)CCC1=O ZINC001233284047 818566415 /nfs/dbraw/zinc/56/64/15/818566415.db2.gz FZRKPENIYTULON-ZDUSSCGKSA-N 1 1 289.419 3.491 20 10 CGCDMO CCO[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233287058 818567068 /nfs/dbraw/zinc/56/70/68/818567068.db2.gz VCCOMFBGYVDYHN-OAHLLOKOSA-N 1 1 277.408 3.301 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCOC[C@H]2C2CC2)c1 ZINC001233287071 818567629 /nfs/dbraw/zinc/56/76/29/818567629.db2.gz VLEQKNPAOYCXFN-INIZCTEOSA-N 1 1 289.419 3.301 20 10 CGCDMO CN(C)[C@H]1CCC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286014 818568718 /nfs/dbraw/zinc/56/87/18/818568718.db2.gz AWKPNHSWRJFHIG-INIZCTEOSA-N 1 1 290.451 3.216 20 10 CGCDMO CN(C)[C@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286014 818568722 /nfs/dbraw/zinc/56/87/22/818568722.db2.gz AWKPNHSWRJFHIG-INIZCTEOSA-N 1 1 290.451 3.216 20 10 CGCDMO C[N@@H+](Cc1cc(C(C)(C)C)ccc1O)[C@@H]1CCCOC1 ZINC001233287416 818570699 /nfs/dbraw/zinc/57/06/99/818570699.db2.gz OZIOZMULGCSWET-OAHLLOKOSA-N 1 1 277.408 3.301 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@H](C)CC23CC3)c1O ZINC001233290771 818570716 /nfs/dbraw/zinc/57/07/16/818570716.db2.gz VGCKBQSOXKRHNQ-SNVBAGLBSA-N 1 1 281.783 3.429 20 10 CGCDMO [O-]c1ccc(F)c(F)c1C[N@H+]1CCCC2(CCC2)C1 ZINC001233336579 818588724 /nfs/dbraw/zinc/58/87/24/818588724.db2.gz QQZPVQNCNLKGHA-UHFFFAOYSA-N 1 1 267.319 3.437 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@@H+]1CCCC2(CCC2)C1 ZINC001233336579 818588729 /nfs/dbraw/zinc/58/87/29/818588729.db2.gz QQZPVQNCNLKGHA-UHFFFAOYSA-N 1 1 267.319 3.437 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@H+]1CCCC2(CCC2)C1 ZINC001233336579 818588732 /nfs/dbraw/zinc/58/87/32/818588732.db2.gz QQZPVQNCNLKGHA-UHFFFAOYSA-N 1 1 267.319 3.437 20 10 CGCDMO Oc1ccc(F)c(F)c1C[NH+]1CC2(C1)CCCCC2 ZINC001233336057 818588916 /nfs/dbraw/zinc/58/89/16/818588916.db2.gz WZBXEFNDFCYZOX-UHFFFAOYSA-N 1 1 267.319 3.437 20 10 CGCDMO CC1(C)COCC[N@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233454390 818623594 /nfs/dbraw/zinc/62/35/94/818623594.db2.gz SUXUMRSSKOLDAM-UHFFFAOYSA-N 1 1 289.297 3.022 20 10 CGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@H]3CF)c2c1 ZINC001234579390 818885426 /nfs/dbraw/zinc/88/54/26/818885426.db2.gz XFEOBPHHMMJTGK-CYBMUJFWSA-N 1 1 289.350 3.488 20 10 CGCDMO CN(C)[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234992179 818969327 /nfs/dbraw/zinc/96/93/27/818969327.db2.gz NTFXXXJNLSZRGD-KRWDZBQOSA-N 1 1 296.414 3.195 20 10 CGCDMO C[NH+](C)[C@H]1CCN(Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234992179 818969332 /nfs/dbraw/zinc/96/93/32/818969332.db2.gz NTFXXXJNLSZRGD-KRWDZBQOSA-N 1 1 296.414 3.195 20 10 CGCDMO Oc1c(C[N@H+]2CCC3(COC3)C2)cccc1-c1ccccc1 ZINC001235000921 818974077 /nfs/dbraw/zinc/97/40/77/818974077.db2.gz KZMBZJYKBVQCLU-UHFFFAOYSA-N 1 1 295.382 3.282 20 10 CGCDMO C[N@H+](CCN1CCCC1)Cc1ccc(C(C)(C)C)cc1O ZINC001235679834 819140181 /nfs/dbraw/zinc/14/01/81/819140181.db2.gz RDHRQABWPNZYMN-UHFFFAOYSA-N 1 1 290.451 3.217 20 10 CGCDMO C[N@@H+](CCN1CCCC1)Cc1ccc(C(C)(C)C)cc1O ZINC001235679834 819140185 /nfs/dbraw/zinc/14/01/85/819140185.db2.gz RDHRQABWPNZYMN-UHFFFAOYSA-N 1 1 290.451 3.217 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CCC[C@@](C)(O)C2)c(O)c1 ZINC001235685244 819141216 /nfs/dbraw/zinc/14/12/16/819141216.db2.gz NPYGFZNSMYCZAG-QGZVFWFLSA-N 1 1 277.408 3.037 20 10 CGCDMO CCc1ccc(C[N@H+]2CCN[C@H](c3ccccc3)C2)c(O)c1 ZINC001235858653 819188864 /nfs/dbraw/zinc/18/88/64/819188864.db2.gz YTUXEHUOOSILEK-SFHVURJKSA-N 1 1 296.414 3.101 20 10 CGCDMO Nc1ccc2c(c1)CC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001236106016 819322515 /nfs/dbraw/zinc/32/25/15/819322515.db2.gz XRHSMORCKMKWHA-UHFFFAOYSA-N 1 1 288.778 3.186 20 10 CGCDMO CCCC[C@@H]1CN(Cc2cccc(Cl)c2O)CC[NH2+]1 ZINC001236137198 819339203 /nfs/dbraw/zinc/33/92/03/819339203.db2.gz KZIGUYWSVGLNHI-CYBMUJFWSA-N 1 1 282.815 3.010 20 10 CGCDMO CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H](N)c1ccccc1 ZINC001236274473 819411923 /nfs/dbraw/zinc/41/19/23/819411923.db2.gz FPNFQARAFTXFJK-LJQANCHMSA-N 1 1 297.446 3.275 20 10 CGCDMO CCN(Cc1ccc(N(C)C)cc1)C[C@@H]([NH3+])c1ccccc1 ZINC001236274473 819411927 /nfs/dbraw/zinc/41/19/27/819411927.db2.gz FPNFQARAFTXFJK-LJQANCHMSA-N 1 1 297.446 3.275 20 10 CGCDMO CCN(CC[C@H]1CCCC[NH2+]1)Cc1ccc(N(C)C)cc1 ZINC001236281142 819412972 /nfs/dbraw/zinc/41/29/72/819412972.db2.gz ZDTFEJUYNNFVRA-QGZVFWFLSA-N 1 1 289.467 3.107 20 10 CGCDMO Cc1ccc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c([O-])c1 ZINC001236550239 819534447 /nfs/dbraw/zinc/53/44/47/819534447.db2.gz ASSPCPSZKSYHTI-QAQDUYKDSA-N 1 1 290.451 3.429 20 10 CGCDMO Cc1ccc(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c([O-])c1 ZINC001236550239 819534450 /nfs/dbraw/zinc/53/44/50/819534450.db2.gz ASSPCPSZKSYHTI-QAQDUYKDSA-N 1 1 290.451 3.429 20 10 CGCDMO C[C@@H]1C[NH+](Cc2ccc(N(C)C)c3ccccc23)C[C@@H](C)N1 ZINC001236575829 819541900 /nfs/dbraw/zinc/54/19/00/819541900.db2.gz ZRNRASDBHOYWOG-HUUCEWRRSA-N 1 1 297.446 3.088 20 10 CGCDMO CCCCC[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC001236749222 819589428 /nfs/dbraw/zinc/58/94/28/819589428.db2.gz AEKQXHSOOGUMLS-UHFFFAOYSA-N 1 1 267.369 3.031 20 10 CGCDMO CCc1ccc(C[NH+]2CC(OCc3ccccc3)C2)c(O)c1 ZINC001236788689 819595497 /nfs/dbraw/zinc/59/54/97/819595497.db2.gz NGNHEYQRJWWORI-UHFFFAOYSA-N 1 1 297.398 3.356 20 10 CGCDMO OC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(Cl)cc1O ZINC001236792543 819597720 /nfs/dbraw/zinc/59/77/20/819597720.db2.gz DYODDZWWDVJRGV-JTQLQIEISA-N 1 1 290.190 3.046 20 10 CGCDMO OC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(Cl)cc1O ZINC001236792543 819597724 /nfs/dbraw/zinc/59/77/24/819597724.db2.gz DYODDZWWDVJRGV-JTQLQIEISA-N 1 1 290.190 3.046 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2C)c(Cl)c1 ZINC001236797956 819600460 /nfs/dbraw/zinc/60/04/60/819600460.db2.gz CJLMLXYGIDCLCQ-SECBINFHSA-N 1 1 255.745 3.039 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC[C@H]2C(C)(C)OC)c(O)c1 ZINC001236810434 819603610 /nfs/dbraw/zinc/60/36/10/819603610.db2.gz GWPWLMIXBDRPHE-INIZCTEOSA-N 1 1 293.407 3.099 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC[C@H](C)[C@H]2C)c(O)c1 ZINC001236813365 819604573 /nfs/dbraw/zinc/60/45/73/819604573.db2.gz JCWZFLKCRVVCKE-WCQYABFASA-N 1 1 263.381 3.330 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC[C@@H](C(F)F)C2)c(O)c1 ZINC001236811659 819605035 /nfs/dbraw/zinc/60/50/35/819605035.db2.gz VGOLDFFLFRCYGH-LLVKDONJSA-N 1 1 285.334 3.186 20 10 CGCDMO O=C1CC[N@@H+](Cc2cc3ccccc3cc2O)CC[C@H]1F ZINC001236826208 819607299 /nfs/dbraw/zinc/60/72/99/819607299.db2.gz IKFKWGRKAWFZCY-OAHLLOKOSA-N 1 1 287.334 3.048 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2cc3ccccc3cc2O)C[C@H](C)O1 ZINC001236840648 819618243 /nfs/dbraw/zinc/61/82/43/819618243.db2.gz QXSCVZPPGZTIRI-BETUJISGSA-N 1 1 271.360 3.155 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](O)[C@H](C)C2)c(O)c1 ZINC001237044413 819650873 /nfs/dbraw/zinc/65/08/73/819650873.db2.gz CSGMBDXZFOBRSB-CZUORRHYSA-N 1 1 277.408 3.108 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H]2CF)c(O)c1 ZINC001237051160 819652345 /nfs/dbraw/zinc/65/23/45/819652345.db2.gz HYJSTZQHHMJDTE-CQSZACIVSA-N 1 1 251.345 3.450 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)c(O)c1 ZINC001237056005 819654299 /nfs/dbraw/zinc/65/42/99/819654299.db2.gz UKSUGJHQFQCSMW-RDJZCZTQSA-N 1 1 275.392 3.126 20 10 CGCDMO CCCOC1C[NH+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237054374 819654696 /nfs/dbraw/zinc/65/46/96/819654696.db2.gz XGJYWUJMQXFTEO-UHFFFAOYSA-N 1 1 263.381 3.126 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)c(O)c1 ZINC001237056004 819655562 /nfs/dbraw/zinc/65/55/62/819655562.db2.gz UKSUGJHQFQCSMW-NVXWUHKLSA-N 1 1 275.392 3.126 20 10 CGCDMO COc1ccc2c(c1)C[N@H+](Cc1c(C)cccc1O)CC2 ZINC001237484345 819762835 /nfs/dbraw/zinc/76/28/35/819762835.db2.gz CJBFNUZEWIXQCY-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1c(C)cccc1O ZINC001237487525 819762869 /nfs/dbraw/zinc/76/28/69/819762869.db2.gz JOGOJDZMYJFBIE-HNNXBMFYSA-N 1 1 263.381 3.090 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@H]2C)cc1Br ZINC001237678434 819804437 /nfs/dbraw/zinc/80/44/37/819804437.db2.gz ZADZTSKJLMULMD-SECBINFHSA-N 1 1 270.170 3.057 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@H]2C(C)C)c(O)c(OC)c1 ZINC001237680476 819806279 /nfs/dbraw/zinc/80/62/79/819806279.db2.gz KIJJISXVZDJVIJ-AWEZNQCLSA-N 1 1 279.380 3.030 20 10 CGCDMO [O-]c1c(Cl)cc(F)cc1C[N@H+]1CCC[C@H](CF)C1 ZINC001237798700 819845079 /nfs/dbraw/zinc/84/50/79/819845079.db2.gz LSOZJIMALFYHKV-SECBINFHSA-N 1 1 275.726 3.366 20 10 CGCDMO CC(=O)Nc1ccccc1-c1[nH+]ccc2c1ccn2C ZINC001239776755 820594625 /nfs/dbraw/zinc/59/46/25/820594625.db2.gz AGCQTEPPNVUEGC-UHFFFAOYSA-N 1 1 265.316 3.199 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1cccn1C1CC1)C2 ZINC001349632744 936954819 /nfs/dbraw/zinc/95/48/19/936954819.db2.gz KTYDDRXDORSRCC-UHFFFAOYSA-N 1 1 254.333 3.044 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H]3CCCC[C@@]32C)c1O ZINC001351496351 937018571 /nfs/dbraw/zinc/01/85/71/937018571.db2.gz SRYVJSPUTHQGIA-GUYCJALGSA-N 1 1 291.366 3.498 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CCCN(CC)C1)c1ccccc1O ZINC000155480753 928253469 /nfs/dbraw/zinc/25/34/69/928253469.db2.gz IPOBFUOGBURYDQ-ZBFHGGJFSA-N 1 1 276.424 3.165 20 10 CGCDMO CCC[C@H](C[N@@H+](CC)Cc1ccc(N(C)C)cc1)OC ZINC001560724683 937236820 /nfs/dbraw/zinc/23/68/20/937236820.db2.gz RIJCRXBICOGIHP-QGZVFWFLSA-N 1 1 278.440 3.390 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@H](C)C(F)(F)C2)c1O ZINC001140178295 931957374 /nfs/dbraw/zinc/95/73/74/931957374.db2.gz HFDAGTMHOXJPPJ-LBPRGKRZSA-N 1 1 269.335 3.486 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+]2CC[C@H](C)C(F)(F)C2)c1O ZINC001140178295 931957380 /nfs/dbraw/zinc/95/73/80/931957380.db2.gz HFDAGTMHOXJPPJ-LBPRGKRZSA-N 1 1 269.335 3.486 20 10 CGCDMO Cc1ccccc1OCC[NH2+]Cc1cc(F)cc(F)c1O ZINC001461087073 937563617 /nfs/dbraw/zinc/56/36/17/937563617.db2.gz YRRWIVIFZOQIJM-UHFFFAOYSA-N 1 1 293.313 3.147 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCO[C@@H](C)[C@@H]2C)c1 ZINC001461960011 937609487 /nfs/dbraw/zinc/60/94/87/937609487.db2.gz LYIJTYDPVMULHW-STQMWFEESA-N 1 1 263.381 3.125 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c(Cl)c1 ZINC001462176362 937622457 /nfs/dbraw/zinc/62/24/57/937622457.db2.gz IWXQUOJFURXOEF-BDJLRTHQSA-N 1 1 295.810 3.353 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c(Cl)c1 ZINC001462176362 937622458 /nfs/dbraw/zinc/62/24/58/937622458.db2.gz IWXQUOJFURXOEF-BDJLRTHQSA-N 1 1 295.810 3.353 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]C/C=C/c1ccc(F)cc1 ZINC001462589093 937652550 /nfs/dbraw/zinc/65/25/50/937652550.db2.gz JSCHQTDOXZZXFF-NSCUHMNNSA-N 1 1 275.298 3.473 20 10 CGCDMO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NCc1c(O)cccc1Cl ZINC001308221555 933074989 /nfs/dbraw/zinc/07/49/89/933074989.db2.gz CLDPEDDLFPLUJW-STQMWFEESA-N 1 1 296.842 3.256 20 10 CGCDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NCc1c(O)cccc1Cl ZINC001308221555 933074995 /nfs/dbraw/zinc/07/49/95/933074995.db2.gz CLDPEDDLFPLUJW-STQMWFEESA-N 1 1 296.842 3.256 20 10 CGCDMO CC[NH+](CC)CC[C@H](C)NCc1ccc2c(c1)CCCO2 ZINC001308554131 933131411 /nfs/dbraw/zinc/13/14/11/933131411.db2.gz FSNJYPCMKOTZPP-HNNXBMFYSA-N 1 1 290.451 3.222 20 10 CGCDMO C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(Cl)cc2O)CCO1 ZINC001308685634 933158884 /nfs/dbraw/zinc/15/88/84/933158884.db2.gz XMVWCAQSUGVKON-RYUDHWBXSA-N 1 1 283.799 3.340 20 10 CGCDMO CC[C@@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)[C@H](C)CO1 ZINC001308848297 933189319 /nfs/dbraw/zinc/18/93/19/933189319.db2.gz KZELVXRUAPKCRN-YOBDTOFLSA-N 1 1 288.435 3.265 20 10 CGCDMO C[C@@]12CSC[C@@H]1C[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001308969241 933216154 /nfs/dbraw/zinc/21/61/54/933216154.db2.gz ONWMTBSVSIUHCS-SMDDNHRTSA-N 1 1 283.824 3.231 20 10 CGCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ncoc2C(C)C)c1 ZINC001320045100 933986295 /nfs/dbraw/zinc/98/62/95/933986295.db2.gz MGUXDOINRRRUPY-LLVKDONJSA-N 1 1 290.363 3.363 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](O)C23CCCC3)cc1 ZINC001324214302 934472844 /nfs/dbraw/zinc/47/28/44/934472844.db2.gz SXLRRJHJIBOJTQ-KRWDZBQOSA-N 1 1 288.435 3.022 20 10 CGCDMO C[NH2+][C@@H](C)CCN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC001325743626 934925778 /nfs/dbraw/zinc/92/57/78/934925778.db2.gz PYTXECJKWXIACF-HOTGVXAUSA-N 1 1 289.467 3.326 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)CC1(OC)CCC1 ZINC001326048863 934946692 /nfs/dbraw/zinc/94/66/92/934946692.db2.gz SSSWJLPKCYHYEM-UHFFFAOYSA-N 1 1 276.424 3.144 20 10 CGCDMO CCOC1CC([N@@H+](C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001327421391 935057534 /nfs/dbraw/zinc/05/75/34/935057534.db2.gz IWKUKZNRUKJIJT-UHFFFAOYSA-N 1 1 288.435 3.286 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H](OCC)C1CC1 ZINC001328835278 935172675 /nfs/dbraw/zinc/17/26/75/935172675.db2.gz VTVQSEWVWDPIHC-KRWDZBQOSA-N 1 1 277.408 3.419 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N(C)C)c1c(O)cccc1F ZINC001331251134 935361306 /nfs/dbraw/zinc/36/13/06/935361306.db2.gz CAFBOKVWNPEHOA-YUTCNCBUSA-N 1 1 280.387 3.055 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001334321257 936096403 /nfs/dbraw/zinc/09/64/03/936096403.db2.gz YASWJOITYYBKMK-UHFFFAOYSA-N 1 1 271.335 3.310 20 10 CGCDMO C[C@@H]1[N@@H+](Cc2ccc(N3CCCC3)cc2)CCOC1(C)C ZINC001337041742 936233530 /nfs/dbraw/zinc/23/35/30/936233530.db2.gz BMPPOYPCFOWCTP-HNNXBMFYSA-N 1 1 288.435 3.286 20 10 CGCDMO Cc1ccc(C[N@H+]2CCSC[C@H]2C2CCC2)c(O)c1 ZINC001474588480 937868679 /nfs/dbraw/zinc/86/86/79/937868679.db2.gz LZHMMICXWGYAIS-HNNXBMFYSA-N 1 1 277.433 3.418 20 10 CGCDMO Oc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001474746253 937878480 /nfs/dbraw/zinc/87/84/80/937878480.db2.gz QAHRQTPKRDCYRC-ZWKOPEQDSA-N 1 1 251.757 3.324 20 10 CGCDMO Cc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(O)c1 ZINC001560697492 938270853 /nfs/dbraw/zinc/27/08/53/938270853.db2.gz BNTWRBBTVRSENB-UHFFFAOYSA-N 1 1 298.342 3.167 20 10 CGCDMO Oc1cc(Cl)ccc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC001560880441 938281799 /nfs/dbraw/zinc/28/17/99/938281799.db2.gz JANJZYXVOXCZIG-ICCXJUOJSA-N 1 1 251.757 3.324 20 10 CGCDMO C[C@@]1(CC[NH2+]Cc2cc(F)c(F)cc2O)CC1(F)F ZINC001560936414 938285128 /nfs/dbraw/zinc/28/51/28/938285128.db2.gz YNMJREODTBIKRW-GFCCVEGCSA-N 1 1 277.261 3.195 20 10 CGCDMO Cc1cc(O)c(CN2CC[N@H+](C)C(C)(C)CC2)cc1Cl ZINC001560953617 938285972 /nfs/dbraw/zinc/28/59/72/938285972.db2.gz RORLVNOUVZXWNL-UHFFFAOYSA-N 1 1 296.842 3.270 20 10 CGCDMO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2c(O)cccc2F)C1 ZINC001561015815 938289757 /nfs/dbraw/zinc/28/97/57/938289757.db2.gz HZAFWWVUSRQLCL-SUNKGSAMSA-N 1 1 251.345 3.446 20 10 CGCDMO Cc1cc(CNC[C@@H]2CCC[NH2+]C2)c(C)n1-c1ccccc1 ZINC001579600770 962635263 /nfs/dbraw/zinc/63/52/63/962635263.db2.gz DHGYWIOIKMJZIH-QGZVFWFLSA-N 1 1 297.446 3.183 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1O ZINC000179951072 346254100 /nfs/dbraw/zinc/25/41/00/346254100.db2.gz BLGLTINAYNWCRK-NSHDSACASA-N 1 1 289.297 3.175 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCc2sccc2C1 ZINC000138549831 371505172 /nfs/dbraw/zinc/50/51/72/371505172.db2.gz ARFZLYSRMCMIMR-UHFFFAOYSA-N 1 1 263.337 3.151 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000156038700 371958085 /nfs/dbraw/zinc/95/80/85/371958085.db2.gz FXFVEVNCMHOBHV-DOMZBBRYSA-N 1 1 261.365 3.165 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1O ZINC000156039075 371958344 /nfs/dbraw/zinc/95/83/44/371958344.db2.gz SJUXMKDJEHMAGN-JSGCOSHPSA-N 1 1 261.365 3.165 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)CCc2ccccc2)c1 ZINC000156043227 371958432 /nfs/dbraw/zinc/95/84/32/371958432.db2.gz NSGRQJWCFNRHSL-UHFFFAOYSA-N 1 1 271.360 3.075 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CC[C@@H]1CCCCO1 ZINC000293636709 372431300 /nfs/dbraw/zinc/43/13/00/372431300.db2.gz NPCRDZVQAUDCPY-NSHDSACASA-N 1 1 287.762 3.234 20 10 CGCDMO COC[C@]1(C)CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000294149687 372594562 /nfs/dbraw/zinc/59/45/62/372594562.db2.gz HHVFAXRSKKPIAN-GOSISDBHSA-N 1 1 285.387 3.404 20 10 CGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@H]3C)cc2)CC1 ZINC000295139434 372694847 /nfs/dbraw/zinc/69/48/47/372694847.db2.gz ZHPBLVGYEOEKQW-OAHLLOKOSA-N 1 1 288.435 3.286 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1O ZINC000179678765 373903961 /nfs/dbraw/zinc/90/39/61/373903961.db2.gz JGZVFJJDJBRCQP-LBPRGKRZSA-N 1 1 295.810 3.355 20 10 CGCDMO C[N@@H+](CCc1cccs1)Cc1cc(F)ccc1O ZINC000180204840 373976907 /nfs/dbraw/zinc/97/69/07/373976907.db2.gz IDRWXVZWSANQBN-UHFFFAOYSA-N 1 1 265.353 3.267 20 10 CGCDMO COc1cc(O)c(C[N@H+]2C[C@H](C)CC[C@H]2C)cc1OC ZINC000180310577 373988277 /nfs/dbraw/zinc/98/82/77/373988277.db2.gz CEFPVEQPPKEKEV-VXGBXAGGSA-N 1 1 279.380 3.030 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000191331669 375611288 /nfs/dbraw/zinc/61/12/88/375611288.db2.gz ODUGGTSJFZGHPJ-IUPBHXKESA-N 1 1 299.773 3.232 20 10 CGCDMO C[C@H]([NH2+]CC1(CCO)CCCC1)c1ccc(F)cc1O ZINC000273362132 378742282 /nfs/dbraw/zinc/74/22/82/378742282.db2.gz ASOPMUTWCXTVDP-LBPRGKRZSA-N 1 1 281.371 3.125 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+](C)Cc2ccccn2)c1O ZINC000273428883 378746683 /nfs/dbraw/zinc/74/66/83/378746683.db2.gz SNOLUMRPEXAZAR-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO Cc1cnccc1CC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000273463054 378748441 /nfs/dbraw/zinc/74/84/41/378748441.db2.gz IJPJDFWISQCOCA-LBPRGKRZSA-N 1 1 274.339 3.128 20 10 CGCDMO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(F)cc1O ZINC000273612686 378756671 /nfs/dbraw/zinc/75/66/71/378756671.db2.gz WQSVXYJFEUJEKT-RIEGTJTDSA-N 1 1 267.344 3.140 20 10 CGCDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000371957282 379182631 /nfs/dbraw/zinc/18/26/31/379182631.db2.gz QKLQVWMKRYQQGK-QGZVFWFLSA-N 1 1 299.418 3.388 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCCC23CCC3)c1O ZINC000373104321 379224359 /nfs/dbraw/zinc/22/43/59/379224359.db2.gz NPBVWIPFSKKLST-UHFFFAOYSA-N 1 1 277.339 3.252 20 10 CGCDMO C[NH+]1CCC2(CCC[N@@H+]2Cc2cc(Cl)ccc2[O-])CC1 ZINC000375475851 379498911 /nfs/dbraw/zinc/49/89/11/379498911.db2.gz XWZCRPIARDWUPY-UHFFFAOYSA-N 1 1 294.826 3.106 20 10 CGCDMO C[NH+]1CCC2(CCC[N@H+]2Cc2cc(Cl)ccc2[O-])CC1 ZINC000375475851 379498925 /nfs/dbraw/zinc/49/89/25/379498925.db2.gz XWZCRPIARDWUPY-UHFFFAOYSA-N 1 1 294.826 3.106 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000376081369 379521660 /nfs/dbraw/zinc/52/16/60/379521660.db2.gz JUWOSDJRHUPRBD-SFHVURJKSA-N 1 1 283.371 3.156 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000285331890 380147658 /nfs/dbraw/zinc/14/76/58/380147658.db2.gz XNKOQCLWPNQCFX-HIFRSBDPSA-N 1 1 281.783 3.189 20 10 CGCDMO CCOCCCC[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000285528451 380150607 /nfs/dbraw/zinc/15/06/07/380150607.db2.gz FIHQKULCQNZORL-AWEZNQCLSA-N 1 1 269.360 3.389 20 10 CGCDMO CC[C@@H]([NH2+]CCCOCC1CC1)c1ccc(F)cc1O ZINC000285694458 380152247 /nfs/dbraw/zinc/15/22/47/380152247.db2.gz OPLSVAVVYQOHMF-OAHLLOKOSA-N 1 1 281.371 3.389 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)c1ccc(F)cc1O ZINC000285909391 380153675 /nfs/dbraw/zinc/15/36/75/380153675.db2.gz BUJRMYGBOIWDPF-BMIGLBTASA-N 1 1 291.370 3.235 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccc(F)cc1O ZINC000285960534 380155009 /nfs/dbraw/zinc/15/50/09/380155009.db2.gz GPEOFQLINZUPHO-JMSVASOKSA-N 1 1 281.371 3.387 20 10 CGCDMO CC[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(F)cc1O ZINC000286045099 380158874 /nfs/dbraw/zinc/15/88/74/380158874.db2.gz JYYRYGCHYAAPEB-ZYHUDNBSSA-N 1 1 255.358 3.078 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc(N(C)C)cc1 ZINC000368100866 382365414 /nfs/dbraw/zinc/36/54/14/382365414.db2.gz IPQMAJPTTNWQGY-HOCLYGCPSA-N 1 1 298.434 3.074 20 10 CGCDMO CC[N@@H+](Cc1c(C)n[nH]c1C)Cc1ccc(N(C)C)cc1 ZINC000156836537 261133169 /nfs/dbraw/zinc/13/31/69/261133169.db2.gz HMJCXQIJLJFRNK-UHFFFAOYSA-N 1 1 286.423 3.115 20 10 CGCDMO CC[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000159801569 261194278 /nfs/dbraw/zinc/19/42/78/261194278.db2.gz IQWLGUFTMFBHAX-LBPRGKRZSA-N 1 1 279.380 3.031 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC3(CC3)C2)c1O ZINC000186998395 262120952 /nfs/dbraw/zinc/12/09/52/262120952.db2.gz PXFURPMYQBCUGM-UHFFFAOYSA-N 1 1 277.339 3.110 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCCC3(CC3)C2)c1O ZINC000186998395 262120954 /nfs/dbraw/zinc/12/09/54/262120954.db2.gz PXFURPMYQBCUGM-UHFFFAOYSA-N 1 1 277.339 3.110 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1F ZINC000284957758 263088610 /nfs/dbraw/zinc/08/86/10/263088610.db2.gz HUEILDGFIGWQGJ-IRXDYDNUSA-N 1 1 292.398 3.035 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](N3CCCC3)[C@H]2C)cc1C ZINC000288135280 263103588 /nfs/dbraw/zinc/10/35/88/263103588.db2.gz ABQFQFFCYGATTE-NVXWUHKLSA-N 1 1 288.435 3.068 20 10 CGCDMO Cc1cc(O)c(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1C ZINC000288135280 263103589 /nfs/dbraw/zinc/10/35/89/263103589.db2.gz ABQFQFFCYGATTE-NVXWUHKLSA-N 1 1 288.435 3.068 20 10 CGCDMO COc1cccc(C[N@H+]2CC(C)(C)[C@@H]2c2ccncc2)c1O ZINC000294094215 265006934 /nfs/dbraw/zinc/00/69/34/265006934.db2.gz ZTAFHIOSXNLIDI-KRWDZBQOSA-N 1 1 298.386 3.379 20 10 CGCDMO Cc1cc(Cl)cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1O ZINC000362238466 266949974 /nfs/dbraw/zinc/94/99/74/266949974.db2.gz QQKDKPZWUZRKID-GJZGRUSLSA-N 1 1 294.826 3.070 20 10 CGCDMO Cc1cc(Cl)cc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1O ZINC000362238466 266949976 /nfs/dbraw/zinc/94/99/76/266949976.db2.gz QQKDKPZWUZRKID-GJZGRUSLSA-N 1 1 294.826 3.070 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1O ZINC000367689371 267110014 /nfs/dbraw/zinc/11/00/14/267110014.db2.gz UXCXDEFYVJWUJM-HZPDHXFCSA-N 1 1 289.419 3.339 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccccc1N(C)C)c1ccc(F)cc1O ZINC000273347909 278358798 /nfs/dbraw/zinc/35/87/98/278358798.db2.gz BBGXNJALFCKFJP-GFCCVEGCSA-N 1 1 288.366 3.448 20 10 CGCDMO CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000276889188 328219812 /nfs/dbraw/zinc/21/98/12/328219812.db2.gz HFJQKNPAPPWUTF-LLVKDONJSA-N 1 1 286.366 3.051 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1O ZINC000180316711 329219515 /nfs/dbraw/zinc/21/95/15/329219515.db2.gz CNTHNFPJOGWXFA-DOMZBBRYSA-N 1 1 295.810 3.355 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1ncccc1F)c1ccc(F)cc1O ZINC000528036661 330302969 /nfs/dbraw/zinc/30/29/69/330302969.db2.gz WXUFRMKZUVTSOK-ZJUUUORDSA-N 1 1 278.302 3.477 20 10 CGCDMO CC1(C)CC([NH2+]Cc2c([O-])cccc2Cl)CC(C)(C)[NH2+]1 ZINC000083551522 520288999 /nfs/dbraw/zinc/28/89/99/520288999.db2.gz XPZVPHYUNGIFAF-UHFFFAOYSA-N 1 1 296.842 3.444 20 10 CGCDMO CCC[N@H+](CCc1ccccn1)Cc1cccc(F)c1O ZINC000289779924 521672983 /nfs/dbraw/zinc/67/29/83/521672983.db2.gz LBGLXFCLSASBSE-UHFFFAOYSA-N 1 1 288.366 3.381 20 10 CGCDMO CCC[N@@H+](CCc1ccccn1)Cc1cccc(F)c1O ZINC000289779924 521672984 /nfs/dbraw/zinc/67/29/84/521672984.db2.gz LBGLXFCLSASBSE-UHFFFAOYSA-N 1 1 288.366 3.381 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCOC[C@H](C3CCC3)C2)cc1 ZINC000292045334 522182007 /nfs/dbraw/zinc/18/20/07/522182007.db2.gz AXSBVHWYDRKEHY-QGZVFWFLSA-N 1 1 288.435 3.001 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(F)cc1O ZINC000286265263 522852712 /nfs/dbraw/zinc/85/27/12/522852712.db2.gz VCJFDSSZVWWRJD-UKRRQHHQSA-N 1 1 295.379 3.367 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@]2(C)CCCO)c1O ZINC000290326894 524864339 /nfs/dbraw/zinc/86/43/39/524864339.db2.gz DKOMYIBNSUFMEC-INIZCTEOSA-N 1 1 297.826 3.481 20 10 CGCDMO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccccc1O ZINC000037786231 525402547 /nfs/dbraw/zinc/40/25/47/525402547.db2.gz POLUJBGXUOIUNC-CYBMUJFWSA-N 1 1 276.424 3.306 20 10 CGCDMO C[C@@H]([NH2+]CCc1ccc(O)cc1)c1ccc(F)cc1O ZINC000062748024 525462245 /nfs/dbraw/zinc/46/22/45/525462245.db2.gz JUGSPCDLJNPFAP-LLVKDONJSA-N 1 1 275.323 3.130 20 10 CGCDMO C[C@@]1([NH2+]Cc2cc(Cl)c(F)cc2O)CCO[C@H]1C1CC1 ZINC000293535134 525873017 /nfs/dbraw/zinc/87/30/17/525873017.db2.gz FGKQZMDNDCWHME-LSDHHAIUSA-N 1 1 299.773 3.232 20 10 CGCDMO Oc1ccccc1C[N@H+](Cc1ccco1)C[C@@H]1CCOC1 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3.272 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C[C@@H]2CCCOC2)C2CC2)cc1 ZINC000768536698 627485254 /nfs/dbraw/zinc/48/52/54/627485254.db2.gz VQJSETRHADARMH-INIZCTEOSA-N 1 1 288.435 3.144 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](OC)C2)cc1F ZINC000768751999 627495945 /nfs/dbraw/zinc/49/59/45/627495945.db2.gz AYQDDWLMFGFWHS-OAHLLOKOSA-N 1 1 294.414 3.283 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](C)[C@@H]2C)c1 ZINC000769223766 627531715 /nfs/dbraw/zinc/53/17/15/627531715.db2.gz QRHRICJUCBDKJB-STQMWFEESA-N 1 1 263.381 3.411 20 10 CGCDMO CC(C)C[C@H]1COCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000769399890 627548988 /nfs/dbraw/zinc/54/89/88/627548988.db2.gz XDWWJKKFGLBXPA-HNNXBMFYSA-N 1 1 294.414 3.139 20 10 CGCDMO CC(C)C[C@H]1COCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000769399890 627548990 /nfs/dbraw/zinc/54/89/90/627548990.db2.gz XDWWJKKFGLBXPA-HNNXBMFYSA-N 1 1 294.414 3.139 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1Cc2ccccc2C[C@H]1C ZINC000769482530 627559587 /nfs/dbraw/zinc/55/95/87/627559587.db2.gz FNXWHLPJXVZBDB-CYBMUJFWSA-N 1 1 283.371 3.348 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000769517129 627562277 /nfs/dbraw/zinc/56/22/77/627562277.db2.gz ZCJBVTNQHLKQFJ-LLVKDONJSA-N 1 1 251.757 3.278 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000770286604 627611880 /nfs/dbraw/zinc/61/18/80/627611880.db2.gz RYLUMLXHVXBCBB-SMDDNHRTSA-N 1 1 281.783 3.047 20 10 CGCDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(C)ccc2O)C12CCC2 ZINC000770352215 627615074 /nfs/dbraw/zinc/61/50/74/627615074.db2.gz MXYUAXBKJNSDFN-IAGOWNOFSA-N 1 1 289.419 3.480 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000770371937 627615581 /nfs/dbraw/zinc/61/55/81/627615581.db2.gz CVUZBJLOOAXMHU-OLZOCXBDSA-N 1 1 295.810 3.294 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)Cc2cccc(O)c2)c(O)c1 ZINC000771934517 627746088 /nfs/dbraw/zinc/74/60/88/627746088.db2.gz ASYKVFUMOJHEOU-UHFFFAOYSA-N 1 1 287.359 3.129 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](CC)C[C@H]2CCCO2)cc1 ZINC000773758200 627912040 /nfs/dbraw/zinc/91/20/40/627912040.db2.gz XLRCJSVLLJHKAZ-QGZVFWFLSA-N 1 1 276.424 3.144 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)cc1 ZINC000773831893 627917667 /nfs/dbraw/zinc/91/76/67/627917667.db2.gz JYWKYTRGKRKJME-BBRMVZONSA-N 1 1 264.388 3.323 20 10 CGCDMO C[C@H]([NH2+]CC1(O)CCC1)c1cc(Cl)c(Cl)cc1O ZINC000774182734 627957900 /nfs/dbraw/zinc/95/79/00/627957900.db2.gz UHJMHWSWYULURG-QMMMGPOBSA-N 1 1 290.190 3.265 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCOCC3(CCCC3)C2)c1 ZINC000774654354 628012242 /nfs/dbraw/zinc/01/22/42/628012242.db2.gz BLULVFNNKCRKCF-UHFFFAOYSA-N 1 1 289.419 3.402 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cc(Cl)ccc1O ZINC000775492200 628100257 /nfs/dbraw/zinc/10/02/57/628100257.db2.gz NHVMMIUKKUCYDK-SWLSCSKDSA-N 1 1 296.842 3.428 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1cc(Cl)ccc1[O-] ZINC000775492200 628100261 /nfs/dbraw/zinc/10/02/61/628100261.db2.gz NHVMMIUKKUCYDK-SWLSCSKDSA-N 1 1 296.842 3.428 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](C)[C@@H]2CC)c1 ZINC000776000502 628156339 /nfs/dbraw/zinc/15/63/39/628156339.db2.gz LKRTVXRCXWCOLI-WFASDCNBSA-N 1 1 263.381 3.411 20 10 CGCDMO Cc1cc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2O)on1 ZINC000779000162 628382746 /nfs/dbraw/zinc/38/27/46/628382746.db2.gz QVVVJEYQGGVECY-CYBMUJFWSA-N 1 1 276.311 3.165 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000779011066 628383191 /nfs/dbraw/zinc/38/31/91/628383191.db2.gz YXNQOTSLLUCXGL-GOSISDBHSA-N 1 1 283.371 3.356 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](Cc2cncc(F)c2)C2CC2)cc1 ZINC000779154386 628390755 /nfs/dbraw/zinc/39/07/55/628390755.db2.gz UBFGCZACYDQLOQ-UHFFFAOYSA-N 1 1 299.393 3.451 20 10 CGCDMO Cc1ccc2nc(C[NH2+][C@H](C)c3ccccc3O)[nH]c2c1 ZINC000783519020 628720707 /nfs/dbraw/zinc/72/07/07/628720707.db2.gz SEOKRCGZLXQLPG-GFCCVEGCSA-N 1 1 281.359 3.428 20 10 CGCDMO C[C@H](Nc1ccc2c(c1)[nH+]cn2C)c1ccccc1O ZINC000783533066 628722294 /nfs/dbraw/zinc/72/22/94/628722294.db2.gz ZEKOOJNBFPYUNY-NSHDSACASA-N 1 1 267.332 3.452 20 10 CGCDMO COc1cccc2c1CC[N@@H+](Cc1ccc(N(C)C)cc1)C2 ZINC000783595168 628730193 /nfs/dbraw/zinc/73/01/93/628730193.db2.gz PLNLHHRBIHILHK-UHFFFAOYSA-N 1 1 296.414 3.320 20 10 CGCDMO CC[C@@H](CCO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788604580 629068431 /nfs/dbraw/zinc/06/84/31/629068431.db2.gz UNQHKIFHGCVUCH-UWVGGRQHSA-N 1 1 291.313 3.223 20 10 CGCDMO CC[C@@H](COC)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788606311 629068997 /nfs/dbraw/zinc/06/89/97/629068997.db2.gz ZNQHUSONYDXMDO-UWVGGRQHSA-N 1 1 291.313 3.487 20 10 CGCDMO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788757368 629079300 /nfs/dbraw/zinc/07/93/00/629079300.db2.gz LDNLDKZTKWTVFZ-IVZWLZJFSA-N 1 1 291.313 3.485 20 10 CGCDMO C[C@H](O)CCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788796286 629082662 /nfs/dbraw/zinc/08/26/62/629082662.db2.gz FBCOTCWYARCWBF-UWVGGRQHSA-N 1 1 291.313 3.223 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)c(O)c1 ZINC000790930744 629241315 /nfs/dbraw/zinc/24/13/15/629241315.db2.gz HYFNOEGEXHAOPK-INIZCTEOSA-N 1 1 293.407 3.038 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCOc1ccccc1 ZINC000790948148 629242207 /nfs/dbraw/zinc/24/22/07/629242207.db2.gz YJZFJJWZUANNSL-UHFFFAOYSA-N 1 1 295.741 3.353 20 10 CGCDMO CCOC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C(C)C ZINC000790990604 629247614 /nfs/dbraw/zinc/24/76/14/629247614.db2.gz HFOGODQCHOYRPG-GFCCVEGCSA-N 1 1 289.778 3.335 20 10 CGCDMO CC[N@H+](Cc1nc(C)c(C)[nH]1)Cc1ccc(N(C)C)cc1 ZINC000862212127 629324274 /nfs/dbraw/zinc/32/42/74/629324274.db2.gz QFHCDBVUKSXTRX-UHFFFAOYSA-N 1 1 286.423 3.115 20 10 CGCDMO CC[N@@H+](Cc1nc(C)c(C)[nH]1)Cc1ccc(N(C)C)cc1 ZINC000862212127 629324278 /nfs/dbraw/zinc/32/42/78/629324278.db2.gz QFHCDBVUKSXTRX-UHFFFAOYSA-N 1 1 286.423 3.115 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)C[C@@]1(C)CCCS1 ZINC000862227895 629326221 /nfs/dbraw/zinc/32/62/21/629326221.db2.gz JIWMSENDYMQXRC-CQSZACIVSA-N 1 1 251.395 3.110 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000792169949 629343795 /nfs/dbraw/zinc/34/37/95/629343795.db2.gz NTECQAKNQLJWIB-SNVBAGLBSA-N 1 1 269.747 3.417 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000792169949 629343802 /nfs/dbraw/zinc/34/38/02/629343802.db2.gz NTECQAKNQLJWIB-SNVBAGLBSA-N 1 1 269.747 3.417 20 10 CGCDMO CC[C@@H](C)[N@@H+](CCO)Cc1ccc(N2CCCCC2)cc1 ZINC000862386746 629358721 /nfs/dbraw/zinc/35/87/21/629358721.db2.gz BHYNFYVQONBHPY-MRXNPFEDSA-N 1 1 290.451 3.270 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1 ZINC000862443580 629377083 /nfs/dbraw/zinc/37/70/83/629377083.db2.gz PUODMVBPTLHIOW-TXEJJXNPSA-N 1 1 269.335 3.424 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCOc3cc(F)ccc3C2)c1 ZINC000862550326 629400962 /nfs/dbraw/zinc/40/09/62/629400962.db2.gz LGALJYRBYZMWID-UHFFFAOYSA-N 1 1 287.334 3.234 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)[C@H]2CCC(C)(C)C2)cc1OC ZINC000793358591 629447304 /nfs/dbraw/zinc/44/73/04/629447304.db2.gz RRHUARAIHIZJBQ-ZDUSSCGKSA-N 1 1 293.407 3.420 20 10 CGCDMO CSC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000793798724 629501912 /nfs/dbraw/zinc/50/19/12/629501912.db2.gz YVEOKXAVNIVGFO-CYBMUJFWSA-N 1 1 291.460 3.456 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cc(C)ncn2)cc1 ZINC000794256591 629526481 /nfs/dbraw/zinc/52/64/81/629526481.db2.gz IBODANPCAQRONA-UHFFFAOYSA-N 1 1 298.434 3.263 20 10 CGCDMO CC[C@H]([NH2+]CCOc1cccnc1)c1ccc(F)cc1O ZINC000796758501 629826951 /nfs/dbraw/zinc/82/69/51/629826951.db2.gz CQXGFYPFDXHXEY-HNNXBMFYSA-N 1 1 290.338 3.046 20 10 CGCDMO CC[C@H]([NH2+]CCN1CCC[C@H]1C)c1ccc(F)cc1O ZINC000796785834 629833438 /nfs/dbraw/zinc/83/34/38/629833438.db2.gz ZLEWJDGMAYUFII-DOMZBBRYSA-N 1 1 280.387 3.056 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CCC[C@H]1OC)c1ccc(F)cc1O ZINC000796856703 629849439 /nfs/dbraw/zinc/84/94/39/629849439.db2.gz WSLFGFFDMAMPND-DIOULYMOSA-N 1 1 281.371 3.387 20 10 CGCDMO CC(C)c1ncc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cn1 ZINC000799333515 630169294 /nfs/dbraw/zinc/16/92/94/630169294.db2.gz AHKSZSYXKHLQMB-UHFFFAOYSA-N 1 1 298.434 3.298 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CC[C@H]1CCSC1 ZINC000865652063 630253108 /nfs/dbraw/zinc/25/31/08/630253108.db2.gz NPIOZIHAVKUPQO-VIFPVBQESA-N 1 1 289.803 3.418 20 10 CGCDMO CCCCN(Cc1ccccc1O)c1[nH+]cnc2[nH]ccc21 ZINC000800886765 630308754 /nfs/dbraw/zinc/30/87/54/630308754.db2.gz IWZATKYWRFAXLO-UHFFFAOYSA-N 1 1 296.374 3.470 20 10 CGCDMO CCc1nc(N(C)Cc2ccc(N(C)C)cc2)cc(C)[nH+]1 ZINC000804329283 630520784 /nfs/dbraw/zinc/52/07/84/630520784.db2.gz FGPHNLLTMQLZDW-UHFFFAOYSA-N 1 1 284.407 3.050 20 10 CGCDMO COC[C@]1(C)CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000840106362 630596099 /nfs/dbraw/zinc/59/60/99/630596099.db2.gz UKVIWYFZOGRREI-GOSISDBHSA-N 1 1 289.419 3.129 20 10 CGCDMO CCOc1ccc(O)c(C[NH2+][C@H]2CCCC2(F)F)c1 ZINC000808432013 630644125 /nfs/dbraw/zinc/64/41/25/630644125.db2.gz RYZIZCOMZBDGGX-ZDUSSCGKSA-N 1 1 271.307 3.068 20 10 CGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c1[O-] ZINC000808690991 630664458 /nfs/dbraw/zinc/66/44/58/630664458.db2.gz HRZGLKRBBZDTPF-GFCCVEGCSA-N 1 1 296.842 3.346 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@H]2c2cccnc2)c1O ZINC000809728961 630794051 /nfs/dbraw/zinc/79/40/51/630794051.db2.gz NBKDRYGJRJVDEJ-INIZCTEOSA-N 1 1 268.360 3.433 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(O)cc2)cc1F ZINC000809753583 630800797 /nfs/dbraw/zinc/80/07/97/630800797.db2.gz LQISPPICPZKSMR-UHFFFAOYSA-N 1 1 288.366 3.229 20 10 CGCDMO CCCC[N@H+](CCCO)Cc1c(O)ccc(Cl)c1F ZINC000809751976 630801081 /nfs/dbraw/zinc/80/10/81/630801081.db2.gz LMKKEYGFDMXJOC-UHFFFAOYSA-N 1 1 289.778 3.169 20 10 CGCDMO CCCC[N@@H+](CCCO)Cc1c(O)ccc(Cl)c1F ZINC000809751976 630801085 /nfs/dbraw/zinc/80/10/85/630801085.db2.gz LMKKEYGFDMXJOC-UHFFFAOYSA-N 1 1 289.778 3.169 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)[C@@H](CC)CSC)c1O ZINC000809766893 630802056 /nfs/dbraw/zinc/80/20/56/630802056.db2.gz BNGONFKJOROEOD-ZDUSSCGKSA-N 1 1 283.437 3.364 20 10 CGCDMO CCC[N@H+](CC)C[C@@H](C)NCc1cc(C)c(C)cc1O ZINC000810180474 630851182 /nfs/dbraw/zinc/85/11/82/630851182.db2.gz YXSIRGJABNGOLX-OAHLLOKOSA-N 1 1 278.440 3.219 20 10 CGCDMO CCC[N@@H+](CC)C[C@@H](C)NCc1cc(C)c(C)cc1O ZINC000810180474 630851183 /nfs/dbraw/zinc/85/11/83/630851183.db2.gz YXSIRGJABNGOLX-OAHLLOKOSA-N 1 1 278.440 3.219 20 10 CGCDMO CCC[N@H+](CC)C[C@@H](C)N[C@H](C)c1ccc(C)cc1O ZINC000810261278 630861579 /nfs/dbraw/zinc/86/15/79/630861579.db2.gz IUAKAQZYUWNTLT-HUUCEWRRSA-N 1 1 278.440 3.472 20 10 CGCDMO CCC[N@@H+](CC)C[C@@H](C)N[C@H](C)c1ccc(C)cc1O ZINC000810261278 630861583 /nfs/dbraw/zinc/86/15/83/630861583.db2.gz IUAKAQZYUWNTLT-HUUCEWRRSA-N 1 1 278.440 3.472 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1C ZINC000811510874 631079803 /nfs/dbraw/zinc/07/98/03/631079803.db2.gz QNJDXXKQTWQASK-IAGOWNOFSA-N 1 1 289.419 3.398 20 10 CGCDMO CC[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCOC1 ZINC000812780677 631306967 /nfs/dbraw/zinc/30/69/67/631306967.db2.gz NJCVTFHNFHTFDS-GOSISDBHSA-N 1 1 288.435 3.288 20 10 CGCDMO Cc1cccc(C[N@H+]2Cc3ccccc3O[C@@H](C)C2)c1O ZINC000814177769 631538454 /nfs/dbraw/zinc/53/84/54/631538454.db2.gz OKQQNEXLSIBSCQ-AWEZNQCLSA-N 1 1 283.371 3.484 20 10 CGCDMO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815017123 631703442 /nfs/dbraw/zinc/70/34/42/631703442.db2.gz GJZCJFVYBDHYGL-HOCLYGCPSA-N 1 1 276.424 3.060 20 10 CGCDMO Cc1cc(C[N@@H+](CCCO)CC(C)(C)C)ccc1N(C)C ZINC000815040659 631706475 /nfs/dbraw/zinc/70/64/75/631706475.db2.gz JEEXEXGAAUQKSV-UHFFFAOYSA-N 1 1 292.467 3.292 20 10 CGCDMO Cc1cc(C[N@H+]2CCCO[C@@H](C(C)C)C2)ccc1N(C)C ZINC000815314720 631757004 /nfs/dbraw/zinc/75/70/04/631757004.db2.gz DPQOSRPVPAWETK-GOSISDBHSA-N 1 1 290.451 3.308 20 10 CGCDMO CCOCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815561058 631795507 /nfs/dbraw/zinc/79/55/07/631795507.db2.gz XFDOSBNCMRLEFY-SECBINFHSA-N 1 1 277.286 3.098 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000816520686 632001594 /nfs/dbraw/zinc/00/15/94/632001594.db2.gz VPSSOJIKSDLCGT-HZMBPMFUSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000816520686 632001605 /nfs/dbraw/zinc/00/16/05/632001605.db2.gz VPSSOJIKSDLCGT-HZMBPMFUSA-N 1 1 299.773 3.186 20 10 CGCDMO Cc1occc1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816537514 632006283 /nfs/dbraw/zinc/00/62/83/632006283.db2.gz HWZLLEFLIQVDJU-UHFFFAOYSA-N 1 1 269.703 3.376 20 10 CGCDMO CC1(C)C[C@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816549114 632008605 /nfs/dbraw/zinc/00/86/05/632008605.db2.gz FAORPXVLBWHWQJ-VIFPVBQESA-N 1 1 257.736 3.320 20 10 CGCDMO OC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC000816550537 632008802 /nfs/dbraw/zinc/00/88/02/632008802.db2.gz UCYQUEXRUGSQKR-CQSZACIVSA-N 1 1 295.741 3.008 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCCS1 ZINC000816556338 632011614 /nfs/dbraw/zinc/01/16/14/632011614.db2.gz GKPDLLCTYKDZFO-VIFPVBQESA-N 1 1 275.776 3.170 20 10 CGCDMO Cc1cncc(C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816559957 632013591 /nfs/dbraw/zinc/01/35/91/632013591.db2.gz ZZDVENOFIGOMSF-UHFFFAOYSA-N 1 1 280.730 3.178 20 10 CGCDMO C[N@@H+](Cc1ccc2ccccc2c1O)[C@H]1CC[C@H](O)CC1 ZINC000816586408 632017996 /nfs/dbraw/zinc/01/79/96/632017996.db2.gz HBUNFRGLWUAQBA-WKILWMFISA-N 1 1 285.387 3.281 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](CCO)CC2)cc1 ZINC000817297705 632118962 /nfs/dbraw/zinc/11/89/62/632118962.db2.gz VEQBSGONWVCLBR-INIZCTEOSA-N 1 1 290.451 3.127 20 10 CGCDMO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccc2c(c1)CCO2 ZINC000817902584 632232413 /nfs/dbraw/zinc/23/24/13/632232413.db2.gz UNHGCQGAFKBHOA-YOEHRIQHSA-N 1 1 288.435 3.022 20 10 CGCDMO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCCc3occc32)cc1 ZINC000817942241 632240547 /nfs/dbraw/zinc/24/05/47/632240547.db2.gz NEFMXYLMCZIPLU-SJORKVTESA-N 1 1 299.418 3.013 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc2ccccc2c1[O-] ZINC000817946578 632242853 /nfs/dbraw/zinc/24/28/53/632242853.db2.gz ZWSXDKJARHGZKT-KGLIPLIRSA-N 1 1 284.403 3.196 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CCCCN2)c1O ZINC000817949803 632247106 /nfs/dbraw/zinc/24/71/06/632247106.db2.gz NFZXIYCRGYJVPK-WCQYABFASA-N 1 1 282.815 3.147 20 10 CGCDMO C[C@@H](NCC(C)(C)[NH3+])c1ccc(N2CCCCCC2)cc1 ZINC000817960231 632256766 /nfs/dbraw/zinc/25/67/66/632256766.db2.gz KTCHWSOERQHJMD-OAHLLOKOSA-N 1 1 289.467 3.455 20 10 CGCDMO C[C@H](N)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000817972695 632266549 /nfs/dbraw/zinc/26/65/49/632266549.db2.gz NUAMXZCJKIAEAL-YOEHRIQHSA-N 1 1 284.403 3.003 20 10 CGCDMO C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000817977232 632269164 /nfs/dbraw/zinc/26/91/64/632269164.db2.gz FICUFZMBSDZUML-CHWSQXEVSA-N 1 1 272.392 3.323 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)C[C@@](C)(O)c2ccccc2)cc1C ZINC000822516028 632953289 /nfs/dbraw/zinc/95/32/89/632953289.db2.gz HQDAOBXZEICWAE-LJQANCHMSA-N 1 1 299.414 3.349 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](OCC(C)C)C2)cc1C ZINC000120814464 632956725 /nfs/dbraw/zinc/95/67/25/632956725.db2.gz FHHBKYABSXZIFC-MRXNPFEDSA-N 1 1 277.408 3.256 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1C[C@H](C)O[C@@H]1C)c1ccc(F)cc1O ZINC000866446534 633135664 /nfs/dbraw/zinc/13/56/64/633135664.db2.gz FOJHCVDJZPVQKT-GIFSMMMISA-N 1 1 267.344 3.138 20 10 CGCDMO Cc1cnc(C[NH2+]Cc2ccc(N(C)C)cc2C)s1 ZINC000823848235 633158616 /nfs/dbraw/zinc/15/86/16/633158616.db2.gz RAZOKMJAMBWCQQ-UHFFFAOYSA-N 1 1 275.421 3.116 20 10 CGCDMO CCO[C@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824473604 633249110 /nfs/dbraw/zinc/24/91/10/633249110.db2.gz CYSVNHLSQYAHMU-ZDUSSCGKSA-N 1 1 283.799 3.355 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)C(F)F ZINC000824508582 633251083 /nfs/dbraw/zinc/25/10/83/633251083.db2.gz FODAQUFTZMDYQU-KCJUWKMLSA-N 1 1 259.296 3.095 20 10 CGCDMO CC[C@@H](C)[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)OC ZINC000824597562 633262773 /nfs/dbraw/zinc/26/27/73/633262773.db2.gz URGPYWJHRSBVQY-OTYXRUKQSA-N 1 1 289.778 3.335 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000824650088 633267996 /nfs/dbraw/zinc/26/79/96/633267996.db2.gz HZWIMSONOTYXCD-LLVKDONJSA-N 1 1 255.720 3.169 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H]1C1CC1 ZINC000824650088 633268000 /nfs/dbraw/zinc/26/80/00/633268000.db2.gz HZWIMSONOTYXCD-LLVKDONJSA-N 1 1 255.720 3.169 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](CCCCO)C2CC2)cc1Cl ZINC000824802504 633292942 /nfs/dbraw/zinc/29/29/42/633292942.db2.gz LQCXDZXLYDARIU-UHFFFAOYSA-N 1 1 283.799 3.091 20 10 CGCDMO CC[N@@H+](C)C[C@H]1CCN(Cc2cc(Cl)c(C)cc2O)C1 ZINC000824894763 633302471 /nfs/dbraw/zinc/30/24/71/633302471.db2.gz JPYNDALFSSDRMM-CYBMUJFWSA-N 1 1 296.842 3.128 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1Cl ZINC000824895611 633303369 /nfs/dbraw/zinc/30/33/69/633303369.db2.gz ZZFNBCYEAIMAKT-STQMWFEESA-N 1 1 295.810 3.212 20 10 CGCDMO Cc1cc(O)c(CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000825114665 633330106 /nfs/dbraw/zinc/33/01/06/633330106.db2.gz UWLBONUNCFHOBE-HUUCEWRRSA-N 1 1 294.826 3.070 20 10 CGCDMO Cc1cc(O)c(CN[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1Cl ZINC000825114665 633330108 /nfs/dbraw/zinc/33/01/08/633330108.db2.gz UWLBONUNCFHOBE-HUUCEWRRSA-N 1 1 294.826 3.070 20 10 CGCDMO CC(C)(O)C(C)(C)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000825201555 633335915 /nfs/dbraw/zinc/33/59/15/633335915.db2.gz LWPCLRKBMCPSNC-UHFFFAOYSA-N 1 1 289.778 3.071 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000825215810 633336273 /nfs/dbraw/zinc/33/62/73/633336273.db2.gz XDNLLNMREWSXFY-HNNXBMFYSA-N 1 1 263.406 3.111 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)c(Cl)c1 ZINC000827017440 633448801 /nfs/dbraw/zinc/44/88/01/633448801.db2.gz CXEFCNIPELHYHD-IYBDPMFKSA-N 1 1 295.810 3.212 20 10 CGCDMO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1cc(Cl)c(F)cc1O)C2 ZINC000827017154 633448946 /nfs/dbraw/zinc/44/89/46/633448946.db2.gz AWUGJNXQPRSFBD-GASCZTMLSA-N 1 1 299.773 3.043 20 10 CGCDMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1cc(Cl)c(F)cc1O)C2 ZINC000827017154 633448949 /nfs/dbraw/zinc/44/89/49/633448949.db2.gz AWUGJNXQPRSFBD-GASCZTMLSA-N 1 1 299.773 3.043 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000827595825 633502211 /nfs/dbraw/zinc/50/22/11/633502211.db2.gz RDANCLIIZCHAEG-SJORKVTESA-N 1 1 288.435 3.001 20 10 CGCDMO CCC[N@@H+](CCC[C@H]1CCOC1)Cc1ccccc1O ZINC000827959251 633540669 /nfs/dbraw/zinc/54/06/69/633540669.db2.gz OWMZMQCNCSOMOJ-HNNXBMFYSA-N 1 1 277.408 3.421 20 10 CGCDMO C[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccc(Cl)cc1O ZINC000872114476 634039111 /nfs/dbraw/zinc/03/91/11/634039111.db2.gz WPWXUYQALHGESY-MNOVXSKESA-N 1 1 297.782 3.040 20 10 CGCDMO Cc1ccc2nc(C[NH2+][C@H]3CCc4cccc(O)c43)[nH]c2c1 ZINC000834613114 634198108 /nfs/dbraw/zinc/19/81/08/634198108.db2.gz ZOMAHKZTGHBGDF-AWEZNQCLSA-N 1 1 293.370 3.354 20 10 CGCDMO CCC[C@@H](C[NH2+][C@H](CC)c1ccc(F)cc1O)OC ZINC000834839947 634253730 /nfs/dbraw/zinc/25/37/30/634253730.db2.gz GCVIKEOTEHCEEB-GXTWGEPZSA-N 1 1 269.360 3.387 20 10 CGCDMO CCc1nc(C[NH2+][C@@H](C)c2ccc(C)cc2O)co1 ZINC000834897473 634274009 /nfs/dbraw/zinc/27/40/09/634274009.db2.gz GTWBYASJIPPKQR-NSHDSACASA-N 1 1 260.337 3.102 20 10 CGCDMO CCOC[C@@H]1CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835030016 634326149 /nfs/dbraw/zinc/32/61/49/634326149.db2.gz YTZVTYHALZMAFX-KEGWNNHHSA-N 1 1 288.435 3.124 20 10 CGCDMO C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000019913115 634376220 /nfs/dbraw/zinc/37/62/20/634376220.db2.gz OOFOEMYQSLJWMN-CYBMUJFWSA-N 1 1 296.842 3.400 20 10 CGCDMO C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000019913115 634376228 /nfs/dbraw/zinc/37/62/28/634376228.db2.gz OOFOEMYQSLJWMN-CYBMUJFWSA-N 1 1 296.842 3.400 20 10 CGCDMO Cc1ccc(C[N@H+](Cc2ccccc2)C[C@H](C)O)c(O)c1 ZINC000876618904 634868690 /nfs/dbraw/zinc/86/86/90/634868690.db2.gz IRKSQXMZXZUWGK-HNNXBMFYSA-N 1 1 285.387 3.084 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000877477348 635051158 /nfs/dbraw/zinc/05/11/58/635051158.db2.gz BGYVVJCJYFVOBN-NSHDSACASA-N 1 1 273.298 3.475 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000877500074 635062008 /nfs/dbraw/zinc/06/20/08/635062008.db2.gz AYMZGQVBUFFAAJ-AWEZNQCLSA-N 1 1 268.360 3.085 20 10 CGCDMO Cc1ccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)c(O)c1 ZINC000877515724 635067577 /nfs/dbraw/zinc/06/75/77/635067577.db2.gz NSJANOKWSHAAGH-OAHLLOKOSA-N 1 1 271.364 3.151 20 10 CGCDMO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2csnn2)c(O)c1C ZINC000840886543 635075820 /nfs/dbraw/zinc/07/58/20/635075820.db2.gz ZBSXCTWSDPEKSS-QWRGUYRKSA-N 1 1 277.393 3.272 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1ccc(F)cc1O ZINC000840895235 635077939 /nfs/dbraw/zinc/07/79/39/635077939.db2.gz ZGUIQMNIYBTAKB-LNSITVRQSA-N 1 1 281.371 3.123 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000877540455 635079917 /nfs/dbraw/zinc/07/99/17/635079917.db2.gz ZNTKJOUKTGKENF-HOTGVXAUSA-N 1 1 275.392 3.090 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1ccco1 ZINC000840909270 635079943 /nfs/dbraw/zinc/07/99/43/635079943.db2.gz FRZPIOGAZQDMIZ-UHFFFAOYSA-N 1 1 258.365 3.286 20 10 CGCDMO CO[C@@H](C)C[N@@H+](Cc1ccc(N(C)C)cc1C)C(C)C ZINC000840918525 635082239 /nfs/dbraw/zinc/08/22/39/635082239.db2.gz VACLHFQXGVPEDC-HNNXBMFYSA-N 1 1 278.440 3.306 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000840951133 635091075 /nfs/dbraw/zinc/09/10/75/635091075.db2.gz SQEOAANWKHEHAA-IBGZPJMESA-N 1 1 298.430 3.226 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@]2(C)CCCO)c(Cl)c1 ZINC000840948737 635091278 /nfs/dbraw/zinc/09/12/78/635091278.db2.gz JTXQFHNIUUGVHH-MRXNPFEDSA-N 1 1 297.826 3.481 20 10 CGCDMO C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CS1 ZINC000840958809 635094304 /nfs/dbraw/zinc/09/43/04/635094304.db2.gz OFOQJRWXSYHJOB-IONNQARKSA-N 1 1 275.776 3.168 20 10 CGCDMO C[C@@H]1C[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CS1 ZINC000840959826 635094385 /nfs/dbraw/zinc/09/43/85/635094385.db2.gz ZQRTZQJBBPWNQC-HTQZYQBOSA-N 1 1 275.776 3.168 20 10 CGCDMO CCC([NH3+])(CC)CNCc1ccc(N2CCCCC2)cc1 ZINC000841031373 635109233 /nfs/dbraw/zinc/10/92/33/635109233.db2.gz RWOBYHSIMWZOIZ-UHFFFAOYSA-N 1 1 289.467 3.284 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCC[C@H](OC(C)C)C2)c(O)c1 ZINC000877609513 635110324 /nfs/dbraw/zinc/11/03/24/635110324.db2.gz BLVGYDNNMQLJNX-HNNXBMFYSA-N 1 1 263.381 3.090 20 10 CGCDMO CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841088117 635120052 /nfs/dbraw/zinc/12/00/52/635120052.db2.gz XWPMCAJVRUTMAU-NSHDSACASA-N 1 1 291.222 3.162 20 10 CGCDMO Cc1cccc(O)c1CN[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000877630502 635121450 /nfs/dbraw/zinc/12/14/50/635121450.db2.gz KCKJQSAJGQNSHU-HNNXBMFYSA-N 1 1 288.435 3.197 20 10 CGCDMO Cc1cccc(O)c1CN[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000877630502 635121452 /nfs/dbraw/zinc/12/14/52/635121452.db2.gz KCKJQSAJGQNSHU-HNNXBMFYSA-N 1 1 288.435 3.197 20 10 CGCDMO COc1cccc2c1C[N@@H+](Cc1ccc(C)cc1O)C2 ZINC000877656888 635134342 /nfs/dbraw/zinc/13/43/42/635134342.db2.gz CVGNBVXQJZQORK-UHFFFAOYSA-N 1 1 269.344 3.225 20 10 CGCDMO C[C@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccc(Cl)cc1O ZINC000841748807 635223734 /nfs/dbraw/zinc/22/37/34/635223734.db2.gz ZCWWRUXHKZTLBY-QWRGUYRKSA-N 1 1 282.815 3.179 20 10 CGCDMO COCC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841746791 635223947 /nfs/dbraw/zinc/22/39/47/635223947.db2.gz LGVSODUFQCQZOZ-UWVGGRQHSA-N 1 1 257.761 3.121 20 10 CGCDMO C[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccc(Cl)cc1O ZINC000841748808 635225933 /nfs/dbraw/zinc/22/59/33/635225933.db2.gz ZCWWRUXHKZTLBY-WDEREUQCSA-N 1 1 282.815 3.179 20 10 CGCDMO Cc1cccc(C[N@H+]2CCSC[C@@H]2C2CCC2)c1O ZINC000841893490 635248570 /nfs/dbraw/zinc/24/85/70/635248570.db2.gz KSVFMPKEMMIMMY-OAHLLOKOSA-N 1 1 277.433 3.418 20 10 CGCDMO CC[N@@H+](CCSC)Cc1cc(C)c(C)cc1O ZINC000842643278 635426253 /nfs/dbraw/zinc/42/62/53/635426253.db2.gz BATGETNULVSVIZ-UHFFFAOYSA-N 1 1 253.411 3.194 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@H]1CC(C)(C)OC1(C)C ZINC000878242593 635428493 /nfs/dbraw/zinc/42/84/93/635428493.db2.gz SLVHCAQMRJGKIL-CQSZACIVSA-N 1 1 277.408 3.418 20 10 CGCDMO CC[C@H](C)C[C@H](CO)[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000842919851 635511919 /nfs/dbraw/zinc/51/19/19/635511919.db2.gz ZEQQAUOKDZQRAY-LNSITVRQSA-N 1 1 283.387 3.369 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]Cc2ccc(C[NH3+])cc2)c(Cl)c1 ZINC000843127247 635562111 /nfs/dbraw/zinc/56/21/11/635562111.db2.gz DGNJBONIDLQSNN-UHFFFAOYSA-N 1 1 290.794 3.103 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000844758528 635959451 /nfs/dbraw/zinc/95/94/51/635959451.db2.gz JJPJWGYZTSBBRO-CQSZACIVSA-N 1 1 267.319 3.240 20 10 CGCDMO C[NH+](C)CCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000211405664 636081292 /nfs/dbraw/zinc/08/12/92/636081292.db2.gz QXZZGYVIPVUCCZ-UHFFFAOYSA-N 1 1 291.222 3.083 20 10 CGCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCC12CCCC2 ZINC000845998535 636127658 /nfs/dbraw/zinc/12/76/58/636127658.db2.gz CKPNOQJQRPJQIS-UHFFFAOYSA-N 1 1 286.419 3.042 20 10 CGCDMO CCCC[N@H+](C)C[C@@H](C)N[C@H](C)c1cccc(OC)c1O ZINC000846169790 636152717 /nfs/dbraw/zinc/15/27/17/636152717.db2.gz FVXIPSBUAQXCBX-ZIAGYGMSSA-N 1 1 294.439 3.172 20 10 CGCDMO CCCC[N@@H+](C)C[C@@H](C)N[C@H](C)c1cccc(OC)c1O ZINC000846169790 636152721 /nfs/dbraw/zinc/15/27/21/636152721.db2.gz FVXIPSBUAQXCBX-ZIAGYGMSSA-N 1 1 294.439 3.172 20 10 CGCDMO CC(C)n1cc([C@@H](C)[NH2+]Cc2cc(F)cc(F)c2O)cn1 ZINC000882994286 636496623 /nfs/dbraw/zinc/49/66/23/636496623.db2.gz YYPHQUUHTYMIFR-SNVBAGLBSA-N 1 1 295.333 3.299 20 10 CGCDMO OCC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)C1CCCCC1 ZINC000883079391 636531695 /nfs/dbraw/zinc/53/16/95/636531695.db2.gz RXXPSHXOQLYATJ-HNNXBMFYSA-N 1 1 299.361 3.091 20 10 CGCDMO C[C@@]1(CC[NH2+]Cc2cc(F)cc(F)c2O)C[C@@]1(F)Cl ZINC000883158085 636559473 /nfs/dbraw/zinc/55/94/73/636559473.db2.gz UIBPKJCZBBWAQC-OLZOCXBDSA-N 1 1 293.716 3.465 20 10 CGCDMO CCOC[C@@H]1CCC[N@@H+](Cc2cccc(CC)c2O)C1 ZINC000848885847 636673906 /nfs/dbraw/zinc/67/39/06/636673906.db2.gz AQFOLIBMGMHIPL-CQSZACIVSA-N 1 1 277.408 3.203 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1O ZINC000848916867 636689798 /nfs/dbraw/zinc/68/97/98/636689798.db2.gz YAFODCIFAXYZBT-ZACQAIPSSA-N 1 1 289.419 3.080 20 10 CGCDMO C[C@H]1C[N@H+](Cc2cccc(F)c2O)CC2(CCCCC2)O1 ZINC000848928818 636700816 /nfs/dbraw/zinc/70/08/16/636700816.db2.gz OIRLMOJBKXJBOQ-ZDUSSCGKSA-N 1 1 293.382 3.455 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cccc(F)c2O)CC2(CCCCC2)O1 ZINC000848928818 636700823 /nfs/dbraw/zinc/70/08/23/636700823.db2.gz OIRLMOJBKXJBOQ-ZDUSSCGKSA-N 1 1 293.382 3.455 20 10 CGCDMO C[C@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000850495013 637091242 /nfs/dbraw/zinc/09/12/42/637091242.db2.gz VALDHGKPRBSXFV-GOEBONIOSA-N 1 1 289.467 3.276 20 10 CGCDMO C[C@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000850495013 637091245 /nfs/dbraw/zinc/09/12/45/637091245.db2.gz VALDHGKPRBSXFV-GOEBONIOSA-N 1 1 289.467 3.276 20 10 CGCDMO Cc1ccncc1CC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000850506262 637093810 /nfs/dbraw/zinc/09/38/10/637093810.db2.gz HTANVNAJZVHYEO-LBPRGKRZSA-N 1 1 274.339 3.128 20 10 CGCDMO CC[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(F)cc1O ZINC000850523861 637103378 /nfs/dbraw/zinc/10/33/78/637103378.db2.gz QGSBKKONCOLCDB-GXTWGEPZSA-N 1 1 279.355 3.284 20 10 CGCDMO C[C@@H]([NH2+]CCc1ccsc1)c1c(O)cccc1F ZINC000886496770 637542503 /nfs/dbraw/zinc/54/25/03/637542503.db2.gz HBKLVTMIZHAXIZ-SNVBAGLBSA-N 1 1 265.353 3.486 20 10 CGCDMO Cc1ccc(CC[NH2+][C@H](C)c2c(O)cccc2F)o1 ZINC000886502832 637543396 /nfs/dbraw/zinc/54/33/96/637543396.db2.gz QBKXSPIUVAILKR-LLVKDONJSA-N 1 1 263.312 3.326 20 10 CGCDMO C[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1c(O)cccc1F ZINC000886509082 637544820 /nfs/dbraw/zinc/54/48/20/637544820.db2.gz ZTMUCPGOMCLWJE-QWHCGFSZSA-N 1 1 280.387 3.056 20 10 CGCDMO Cc1nc(C)c(CC[NH2+][C@H](C)c2c(O)cccc2F)s1 ZINC000886524019 637551686 /nfs/dbraw/zinc/55/16/86/637551686.db2.gz ATLIULDYQGVWEK-SNVBAGLBSA-N 1 1 294.395 3.498 20 10 CGCDMO C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)c1c(O)cccc1F ZINC000886534520 637559383 /nfs/dbraw/zinc/55/93/83/637559383.db2.gz KAQJQUOFGALSDK-NSHDSACASA-N 1 1 297.370 3.304 20 10 CGCDMO COCCC1(C[NH2+][C@@H](C)c2c(O)cccc2F)CCC1 ZINC000886540420 637566058 /nfs/dbraw/zinc/56/60/58/637566058.db2.gz DVELNUNLKITZTJ-LBPRGKRZSA-N 1 1 281.371 3.389 20 10 CGCDMO C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1c(O)cccc1F ZINC000886602980 637600625 /nfs/dbraw/zinc/60/06/25/637600625.db2.gz DQKYRTQMPOIJLN-GFCCVEGCSA-N 1 1 293.382 3.125 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)c1c(O)cccc1F ZINC000886627003 637616858 /nfs/dbraw/zinc/61/68/58/637616858.db2.gz QISHBCTWANREKD-CKYFFXLPSA-N 1 1 255.308 3.463 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1c(O)cccc1F ZINC000886635020 637621886 /nfs/dbraw/zinc/62/18/86/637621886.db2.gz STHXXQNVDDRUSP-NWDGAFQWSA-N 1 1 280.387 3.055 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000886818908 637706344 /nfs/dbraw/zinc/70/63/44/637706344.db2.gz LOWQOXSNNZNVHJ-WMZOPIPTSA-N 1 1 288.435 3.144 20 10 CGCDMO Oc1cc2c(cc1C[N@@H+](CCC1CC1)CC1CC1)OCO2 ZINC000853604753 637872743 /nfs/dbraw/zinc/87/27/43/637872743.db2.gz UQIPONMMBQAWAI-UHFFFAOYSA-N 1 1 289.375 3.133 20 10 CGCDMO CC[C@H]([NH2+]Cc1cccc(N)c1)c1ccc(F)cc1O ZINC000854215316 638025266 /nfs/dbraw/zinc/02/52/66/638025266.db2.gz FTCAXODXGYWOQE-HNNXBMFYSA-N 1 1 274.339 3.354 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1ccc(F)cc1O ZINC000858546789 638758459 /nfs/dbraw/zinc/75/84/59/638758459.db2.gz FMRDKCJYWKIISH-DUVNUKRYSA-N 1 1 279.355 3.140 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCS[C@H](C)C1)c1c(O)cccc1F ZINC000927028286 638833676 /nfs/dbraw/zinc/83/36/76/638833676.db2.gz MCJLBFIEVQBEHB-MXWKQRLJSA-N 1 1 269.385 3.466 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCS[C@H](C)C1)c1ccc(F)cc1O ZINC000927032768 638833935 /nfs/dbraw/zinc/83/39/35/638833935.db2.gz PIOQBIQRXSEHGK-FOGDFJRCSA-N 1 1 269.385 3.466 20 10 CGCDMO COc1cc(Br)cc(C[N@@H+](C)C(C)C)c1O ZINC000158705367 640014489 /nfs/dbraw/zinc/01/44/89/640014489.db2.gz ODDBOEFMIXOWQC-UHFFFAOYSA-N 1 1 288.185 3.004 20 10 CGCDMO COc1cnccc1[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000188797666 640153724 /nfs/dbraw/zinc/15/37/24/640153724.db2.gz ZGVRIAZHHXIWDE-GHMZBOCLSA-N 1 1 290.338 3.347 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]([C@H](C)C2CC2)C2CC2)c1O ZINC000079399289 640399310 /nfs/dbraw/zinc/39/93/10/640399310.db2.gz ZTDBNQARYBRPRA-SNVBAGLBSA-N 1 1 291.366 3.497 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]([C@H](C)C2CC2)C2CC2)c1O ZINC000079399289 640399320 /nfs/dbraw/zinc/39/93/20/640399320.db2.gz ZTDBNQARYBRPRA-SNVBAGLBSA-N 1 1 291.366 3.497 20 10 CGCDMO Cc1cnc(C(C)(C)[NH2+]Cc2ccc3c(c2)CCO3)s1 ZINC000080346255 640469150 /nfs/dbraw/zinc/46/91/50/640469150.db2.gz ZJHSMZNWHUHJLX-UHFFFAOYSA-N 1 1 288.416 3.411 20 10 CGCDMO C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)CC1CC1 ZINC000194001802 640505648 /nfs/dbraw/zinc/50/56/48/640505648.db2.gz FPEUQHGBUZHSNV-UHFFFAOYSA-N 1 1 263.381 3.237 20 10 CGCDMO CCC[N@H+](Cc1cc(C)ccc1O)C[C@@H]1CCCCO1 ZINC000093132474 640758789 /nfs/dbraw/zinc/75/87/89/640758789.db2.gz QFVRWNXVXDJPBU-INIZCTEOSA-N 1 1 277.408 3.482 20 10 CGCDMO CCC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000093508680 640774379 /nfs/dbraw/zinc/77/43/79/640774379.db2.gz ACWILPLJPOHEDC-ZDUSSCGKSA-N 1 1 269.772 3.047 20 10 CGCDMO CCC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000093508680 640774381 /nfs/dbraw/zinc/77/43/81/640774381.db2.gz ACWILPLJPOHEDC-ZDUSSCGKSA-N 1 1 269.772 3.047 20 10 CGCDMO CC1(C)[C@@H]2C[N@@H+](Cc3cccc(Br)c3O)C[C@@H]21 ZINC000093661093 640778884 /nfs/dbraw/zinc/77/88/84/640778884.db2.gz GUAVWFGXFXPRPW-PHIMTYICSA-N 1 1 296.208 3.243 20 10 CGCDMO CC1(C)[C@@H]2C[N@H+](Cc3cccc(Br)c3O)C[C@@H]21 ZINC000093661093 640778890 /nfs/dbraw/zinc/77/88/90/640778890.db2.gz GUAVWFGXFXPRPW-PHIMTYICSA-N 1 1 296.208 3.243 20 10 CGCDMO CSC[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000093760564 640780991 /nfs/dbraw/zinc/78/09/91/640780991.db2.gz JIEWUJKSDMNNDJ-HNNXBMFYSA-N 1 1 264.438 3.080 20 10 CGCDMO CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)c1ccccc1 ZINC001251993813 805965412 /nfs/dbraw/zinc/96/54/12/805965412.db2.gz SYDBFJCABHYMKQ-IBGZPJMESA-N 1 1 298.430 3.308 20 10 CGCDMO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(N(C)C)cc1 ZINC000161039146 799078042 /nfs/dbraw/zinc/07/80/42/799078042.db2.gz REKWXJJEGQCISP-LESCRADOSA-N 1 1 289.467 3.276 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)[C@H]1C ZINC000380726799 799365461 /nfs/dbraw/zinc/36/54/61/799365461.db2.gz FWIKOHVJPIUNHQ-ZJUUUORDSA-N 1 1 284.197 3.385 20 10 CGCDMO CC[N@H+](CCC1CC1)Cc1cc(F)cc(C(C)=O)c1O ZINC000385626558 799427348 /nfs/dbraw/zinc/42/73/48/799427348.db2.gz AXRQPCBIASUKPU-UHFFFAOYSA-N 1 1 279.355 3.356 20 10 CGCDMO CC[N@@H+](CCC1CC1)Cc1cc(F)cc(C(C)=O)c1O ZINC000385626558 799427352 /nfs/dbraw/zinc/42/73/52/799427352.db2.gz AXRQPCBIASUKPU-UHFFFAOYSA-N 1 1 279.355 3.356 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC2CCC1CC2 ZINC000393874764 799492633 /nfs/dbraw/zinc/49/26/33/799492633.db2.gz DGPMKAKYUANSKJ-UHFFFAOYSA-N 1 1 251.757 3.420 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccc(F)cc1O ZINC000397982277 799524458 /nfs/dbraw/zinc/52/44/58/799524458.db2.gz SBHDTCZWQYRGEC-YWVKMMECSA-N 1 1 255.358 3.076 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)c1csnn1)c1ccccc1O ZINC000398468576 799531248 /nfs/dbraw/zinc/53/12/48/799531248.db2.gz MLJATRXAHLCVBF-GXSJLCMTSA-N 1 1 263.366 3.046 20 10 CGCDMO Cc1ccc(CC[NH2+][C@@H](C)c2ccc(F)cc2O)nc1 ZINC000689394704 799763346 /nfs/dbraw/zinc/76/33/46/799763346.db2.gz DLSZKMMTKIAWIZ-LBPRGKRZSA-N 1 1 274.339 3.128 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1ccc(F)cc1O ZINC000693908962 799818218 /nfs/dbraw/zinc/81/82/18/799818218.db2.gz CLBNUSQITYOUBW-DGCLKSJQSA-N 1 1 280.387 3.055 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1O ZINC000699242289 799857602 /nfs/dbraw/zinc/85/76/02/799857602.db2.gz BPHXQPHLLLGNGV-QWRGUYRKSA-N 1 1 279.767 3.090 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H]3C[C@H]3C2)c1O ZINC000699242289 799857608 /nfs/dbraw/zinc/85/76/08/799857608.db2.gz BPHXQPHLLLGNGV-QWRGUYRKSA-N 1 1 279.767 3.090 20 10 CGCDMO CS[C@H]1CCC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708553410 799991650 /nfs/dbraw/zinc/99/16/50/799991650.db2.gz BVVOFWMCSUHGFS-RYUDHWBXSA-N 1 1 287.375 3.434 20 10 CGCDMO C[C@H](Cc1cccs1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708548700 799991801 /nfs/dbraw/zinc/99/18/01/799991801.db2.gz IMBDUHYHYLTGCW-SECBINFHSA-N 1 1 283.343 3.453 20 10 CGCDMO CCc1cccc(C[N@H+]2CCCO[C@H](C(C)C)C2)c1O ZINC000709327588 800006460 /nfs/dbraw/zinc/00/64/60/800006460.db2.gz XEFNNOILBWJOHQ-INIZCTEOSA-N 1 1 277.408 3.202 20 10 CGCDMO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2O)C12CCC2 ZINC000713483002 800110585 /nfs/dbraw/zinc/11/05/85/800110585.db2.gz XCZSZNSUOGLTCC-WKPIXPDZSA-N 1 1 279.355 3.140 20 10 CGCDMO C[C@@H]([NH2+]CC[C@H]1CCCS1)c1ccc(F)cc1O ZINC000715721425 800144840 /nfs/dbraw/zinc/14/48/40/800144840.db2.gz VNPHQCBCIGQNMO-ZYHUDNBSSA-N 1 1 269.385 3.468 20 10 CGCDMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1ccns1 ZINC000715997834 800158613 /nfs/dbraw/zinc/15/86/13/800158613.db2.gz LVOGWLNXQUFCFK-RKDXNWHRSA-N 1 1 266.341 3.400 20 10 CGCDMO Cc1ccc(O)c(C[NH2+]Cc2ncc(Cl)s2)c1 ZINC000719402274 800238307 /nfs/dbraw/zinc/23/83/07/800238307.db2.gz MTFWBAUFDCHKRI-UHFFFAOYSA-N 1 1 268.769 3.100 20 10 CGCDMO C[C@H]1CCC[C@@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)O1 ZINC000850379325 800516762 /nfs/dbraw/zinc/51/67/62/800516762.db2.gz LAVGVWGTIGMQRD-UWVGGRQHSA-N 1 1 287.762 3.232 20 10 CGCDMO CCOc1cccc(C[N@H+]2C[C@@H](C)CC23CC3)c1O ZINC001203614921 812406850 /nfs/dbraw/zinc/40/68/50/812406850.db2.gz GXQPQTLKYYGPLZ-LBPRGKRZSA-N 1 1 261.365 3.165 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc3c(c2)COC3)cc1 ZINC001137028797 803673469 /nfs/dbraw/zinc/67/34/69/803673469.db2.gz FLVWUFNHZUPFAX-UHFFFAOYSA-N 1 1 296.414 3.415 20 10 CGCDMO Cc1ccccc1C[N@@H+](C)Cc1c(O)cccc1F ZINC001137837531 803780048 /nfs/dbraw/zinc/78/00/48/803780048.db2.gz KPAQFHUNFYMNKO-UHFFFAOYSA-N 1 1 259.324 3.472 20 10 CGCDMO Cc1ccccc1C[N@H+](C)Cc1c(O)cccc1F ZINC001137837531 803780052 /nfs/dbraw/zinc/78/00/52/803780052.db2.gz KPAQFHUNFYMNKO-UHFFFAOYSA-N 1 1 259.324 3.472 20 10 CGCDMO Cc1cc(C[N@H+]2[C@@H](C)CC[C@H]2CO)c(C)n1-c1ccccc1 ZINC001137854328 803785716 /nfs/dbraw/zinc/78/57/16/803785716.db2.gz RLSVAVKAGDBCGY-LIRRHRJNSA-N 1 1 298.430 3.439 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001138131271 803865884 /nfs/dbraw/zinc/86/58/84/803865884.db2.gz UWQLLCZDXCTFKO-MRXNPFEDSA-N 1 1 293.382 3.312 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001138131271 803865894 /nfs/dbraw/zinc/86/58/94/803865894.db2.gz UWQLLCZDXCTFKO-MRXNPFEDSA-N 1 1 293.382 3.312 20 10 CGCDMO Cc1c(C[N@H+]2CCC[C@H](F)C2)c2ccccc2n1C ZINC001138256585 803881018 /nfs/dbraw/zinc/88/10/18/803881018.db2.gz BSQXSMYHYJEALG-ZDUSSCGKSA-N 1 1 260.356 3.421 20 10 CGCDMO Cc1c(C[N@H+]2CCCC(=O)[C@H](C)C2)c2ccccc2n1C ZINC001138252962 803881415 /nfs/dbraw/zinc/88/14/15/803881415.db2.gz YGHOKTRYTPKUJZ-CYBMUJFWSA-N 1 1 284.403 3.288 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2c(C)n(C)c3ccccc32)C1 ZINC001138252681 803881462 /nfs/dbraw/zinc/88/14/62/803881462.db2.gz PTLJGUQQVQRDCW-CQSZACIVSA-N 1 1 272.392 3.098 20 10 CGCDMO CCN1CCC([N@@H+](C)Cc2c3ccccc3n(C)c2C)CC1 ZINC001138257022 803882117 /nfs/dbraw/zinc/88/21/17/803882117.db2.gz SIJSZKLHOWSFSY-UHFFFAOYSA-N 1 1 299.462 3.403 20 10 CGCDMO C[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138354006 803900482 /nfs/dbraw/zinc/90/04/82/803900482.db2.gz QMNQBGXJKSVWHF-AWEZNQCLSA-N 1 1 258.409 3.443 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1ccc3c(c1)CCCO3)CC2 ZINC001138716946 804013407 /nfs/dbraw/zinc/01/34/07/804013407.db2.gz CSLPFAHVAIVCQB-UHFFFAOYSA-N 1 1 295.382 3.276 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccnc(Cl)c2)cc1 ZINC001138819449 804047902 /nfs/dbraw/zinc/04/79/02/804047902.db2.gz DZTKUVDWSGAIQL-UHFFFAOYSA-N 1 1 289.810 3.433 20 10 CGCDMO CC[C@H]1CC(NCc2ccc3c(c2)CCO3)C[C@H](CC)[NH2+]1 ZINC001246201467 804204895 /nfs/dbraw/zinc/20/48/95/804204895.db2.gz VMCZVWRMNMWTBR-HOTGVXAUSA-N 1 1 288.435 3.020 20 10 CGCDMO Cc1cc(C[N@@H+]2CC[C@H](C)[C@](C)(O)CC2)ccc1N(C)C ZINC001139669789 804247017 /nfs/dbraw/zinc/24/70/17/804247017.db2.gz OAEDJQNGRGPVRW-MAUKXSAKSA-N 1 1 290.451 3.044 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)ccc1N(C)C ZINC001139671751 804247442 /nfs/dbraw/zinc/24/74/42/804247442.db2.gz ZHCSILIJDSYIDI-AEFFLSMTSA-N 1 1 288.435 3.062 20 10 CGCDMO Cc1cc(C[N@H+]2CCc3ncccc3C2)ccc1N(C)C ZINC001139673159 804248168 /nfs/dbraw/zinc/24/81/68/804248168.db2.gz QPGLQSMWEKTTMT-UHFFFAOYSA-N 1 1 281.403 3.014 20 10 CGCDMO Cc1cc(C[N@@H+]2C[C@H](C)CC23CC3)ccc1N(C)C ZINC001139674143 804248225 /nfs/dbraw/zinc/24/82/25/804248225.db2.gz RBHMDFPVLHLDFD-CYBMUJFWSA-N 1 1 258.409 3.435 20 10 CGCDMO CC[C@@H]1C[C@H](NCc2ccc(N(C)C)cc2)C[C@H](CC)[NH2+]1 ZINC001246304912 804269218 /nfs/dbraw/zinc/26/92/18/804269218.db2.gz BXPZNXCOZBNEOQ-FVQHAEBGSA-N 1 1 289.467 3.151 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1ccc(O)cc1F ZINC001140128688 804383670 /nfs/dbraw/zinc/38/36/70/804383670.db2.gz ZFNJQNZCCQMRHA-UHFFFAOYSA-N 1 1 275.323 3.259 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCC[C@H]2c2cnccn2)c1O ZINC001140182109 804395685 /nfs/dbraw/zinc/39/56/85/804395685.db2.gz JPCWPSGLQVJIMG-INIZCTEOSA-N 1 1 283.375 3.136 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+](C)C[C@H]2CCCCO2)c1O ZINC001140182046 804396632 /nfs/dbraw/zinc/39/66/32/804396632.db2.gz GRMXVAFZJZZRRI-CQSZACIVSA-N 1 1 263.381 3.010 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](OC(C)C)C2)c1O ZINC001140184006 804397144 /nfs/dbraw/zinc/39/71/44/804397144.db2.gz JPYKBWXFIUBSMR-CQSZACIVSA-N 1 1 263.381 3.008 20 10 CGCDMO COCC[C@H]1CCCC[N@H+]1Cc1c(C)ccc(C)c1O ZINC001140180473 804397158 /nfs/dbraw/zinc/39/71/58/804397158.db2.gz XIXOVIVEBMMNLC-OAHLLOKOSA-N 1 1 277.408 3.400 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001140344965 804419818 /nfs/dbraw/zinc/41/98/18/804419818.db2.gz OHGNJKVINADKMD-ZDUSSCGKSA-N 1 1 288.778 3.430 20 10 CGCDMO CO[C@H]1CCC[C@@H]2C[N@@H+](Cc3c(O)cccc3Cl)C[C@@H]21 ZINC001140345553 804420684 /nfs/dbraw/zinc/42/06/84/804420684.db2.gz WFNCUXOSZNKASL-WQGACYEGSA-N 1 1 295.810 3.293 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCC2(C1)CCOCC2 ZINC001140467592 804443275 /nfs/dbraw/zinc/44/32/75/804443275.db2.gz YRMWDQWNRKWXHB-UHFFFAOYSA-N 1 1 281.783 3.048 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1O ZINC001140745721 804502809 /nfs/dbraw/zinc/50/28/09/804502809.db2.gz MTWMOPJCIFSDKX-NSHDSACASA-N 1 1 289.297 3.181 20 10 CGCDMO COc1ccccc1C[N@@H+](C)Cc1ccc(O)c(C)c1O ZINC001140745326 804502997 /nfs/dbraw/zinc/50/29/97/804502997.db2.gz FUTADMKTDGDKPA-UHFFFAOYSA-N 1 1 287.359 3.047 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c(O)c1 ZINC001140856206 804533065 /nfs/dbraw/zinc/53/30/65/804533065.db2.gz TURDBRCWYLLDEL-IYBDPMFKSA-N 1 1 288.435 3.326 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CC(C)C)c(O)c1 ZINC001140851970 804533556 /nfs/dbraw/zinc/53/35/56/804533556.db2.gz WLWZDGVTDXTOMH-UHFFFAOYSA-N 1 1 264.413 3.326 20 10 CGCDMO CN(C)c1ccc(C[NH+]2CC3(CCC3)C2)c(Cl)c1 ZINC001140922054 804548492 /nfs/dbraw/zinc/54/84/92/804548492.db2.gz FZPUHKRVFLOYAT-UHFFFAOYSA-N 1 1 264.800 3.392 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@]3(CCCO3)C2)c(Cl)c1 ZINC001140922620 804548514 /nfs/dbraw/zinc/54/85/14/804548514.db2.gz WSVPXTHWGJKILA-INIZCTEOSA-N 1 1 294.826 3.161 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c(Cl)c1 ZINC001140924692 804550944 /nfs/dbraw/zinc/55/09/44/804550944.db2.gz MMAHYAGAZNAMOT-XJKSGUPXSA-N 1 1 294.826 3.017 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccncc3C)C2)c(O)c1 ZINC001140953520 804557677 /nfs/dbraw/zinc/55/76/77/804557677.db2.gz AYEOHIZWYRADRB-MRXNPFEDSA-N 1 1 298.386 3.057 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246860486 804565492 /nfs/dbraw/zinc/56/54/92/804565492.db2.gz IERTWQROUUAUMX-NVXWUHKLSA-N 1 1 290.451 3.381 20 10 CGCDMO CC[N@H+](Cc1ccccc1[O-])[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246860486 804565495 /nfs/dbraw/zinc/56/54/95/804565495.db2.gz IERTWQROUUAUMX-NVXWUHKLSA-N 1 1 290.451 3.381 20 10 CGCDMO CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246860486 804565498 /nfs/dbraw/zinc/56/54/98/804565498.db2.gz IERTWQROUUAUMX-NVXWUHKLSA-N 1 1 290.451 3.381 20 10 CGCDMO CC[C@H]1CCC[N@@H+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141029481 804574753 /nfs/dbraw/zinc/57/47/53/804574753.db2.gz UBKBNXQIJDSPST-LBPRGKRZSA-N 1 1 279.380 3.031 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCN3C)C[C@H]1C ZINC001141140443 804596742 /nfs/dbraw/zinc/59/67/42/804596742.db2.gz MFVPKSMVVXWCCK-HUUCEWRRSA-N 1 1 288.435 3.383 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c1 ZINC001141160015 804599781 /nfs/dbraw/zinc/59/97/81/804599781.db2.gz PHXUPJFHEWWNJK-IUODEOHRSA-N 1 1 261.365 3.252 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c1 ZINC001141160014 804600187 /nfs/dbraw/zinc/60/01/87/804600187.db2.gz PHXUPJFHEWWNJK-DOMZBBRYSA-N 1 1 261.365 3.252 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC001142509155 804728954 /nfs/dbraw/zinc/72/89/54/804728954.db2.gz YWKKFBWHHDPZFQ-QWRGUYRKSA-N 1 1 267.319 3.292 20 10 CGCDMO CCCOC1CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142521011 804731636 /nfs/dbraw/zinc/73/16/36/804731636.db2.gz UKYMWLGMZIOCPO-UHFFFAOYSA-N 1 1 285.334 3.061 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001142524640 804732174 /nfs/dbraw/zinc/73/21/74/804732174.db2.gz FFTKVMIGZIABHC-QMMMGPOBSA-N 1 1 277.261 3.148 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001142524640 804732181 /nfs/dbraw/zinc/73/21/81/804732181.db2.gz FFTKVMIGZIABHC-QMMMGPOBSA-N 1 1 277.261 3.148 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(-c2noc(C3([NH3+])CC3)n2)cc1 ZINC001247723250 804805580 /nfs/dbraw/zinc/80/55/80/804805580.db2.gz DFLLKKWRTSDKEE-UHFFFAOYSA-N 1 1 294.358 3.092 20 10 CGCDMO Cc1noc2ccc(C[N@H+]3CCc4cccc(O)c4C3)cc12 ZINC001248709159 804972391 /nfs/dbraw/zinc/97/23/91/804972391.db2.gz UJEDZABFNQNLFG-UHFFFAOYSA-N 1 1 294.354 3.400 20 10 CGCDMO Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144504119 804995809 /nfs/dbraw/zinc/99/58/09/804995809.db2.gz MFCZFHPOTUGWBP-INIZCTEOSA-N 1 1 299.370 3.449 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CCC[C@H]2c2ccccc2)c(O)c1 ZINC001144508948 804997756 /nfs/dbraw/zinc/99/77/56/804997756.db2.gz FDBYFZSNYKMGSK-HNNXBMFYSA-N 1 1 285.343 3.141 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249224303 805115351 /nfs/dbraw/zinc/11/53/51/805115351.db2.gz XDKNZDJNTNMFIK-GFCCVEGCSA-N 1 1 273.376 3.418 20 10 CGCDMO Oc1cccc(F)c1Nc1cc[nH+]cc1C(F)(F)F ZINC001249587336 805183843 /nfs/dbraw/zinc/18/38/43/805183843.db2.gz QOSXDWIPMNCPNQ-UHFFFAOYSA-N 1 1 272.201 3.111 20 10 CGCDMO CCCCOC(=O)CC[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC001257403621 807139734 /nfs/dbraw/zinc/13/97/34/807139734.db2.gz UJWGBGPFRVCFSL-CQSZACIVSA-N 1 1 293.407 3.336 20 10 CGCDMO CCC[NH+]1CCC([N@@H+](CC)Cc2ccccc2O)CC1 ZINC001258775829 807606412 /nfs/dbraw/zinc/60/64/12/807606412.db2.gz GRKQNTDMGYCGGQ-UHFFFAOYSA-N 1 1 276.424 3.089 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1COC(C)(C)C1 ZINC001172286195 808213360 /nfs/dbraw/zinc/21/33/60/808213360.db2.gz GCEOEPCUBIWYFT-KRWDZBQOSA-N 1 1 288.435 3.286 20 10 CGCDMO CC(C)OCC[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC001172454372 808324261 /nfs/dbraw/zinc/32/42/61/808324261.db2.gz JJFYGAKMJWBPRM-CYBMUJFWSA-N 1 1 251.370 3.028 20 10 CGCDMO Cc1ccc(O)c(Nc2cc[nH+]c3ccccc23)c1 ZINC001174040303 808839977 /nfs/dbraw/zinc/83/99/77/808839977.db2.gz ZVWUKPOTPZUTSN-UHFFFAOYSA-N 1 1 250.301 3.414 20 10 CGCDMO COc1ccc(N2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cc1F ZINC001277009552 809053170 /nfs/dbraw/zinc/05/31/70/809053170.db2.gz JPWSZUIEYSXMGV-QGZVFWFLSA-N 1 1 292.398 3.147 20 10 CGCDMO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC001180531768 810008944 /nfs/dbraw/zinc/00/89/44/810008944.db2.gz JQJXVFLBBDGIFR-YPMHNXCESA-N 1 1 283.799 3.353 20 10 CGCDMO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC001180531768 810008950 /nfs/dbraw/zinc/00/89/50/810008950.db2.gz JQJXVFLBBDGIFR-YPMHNXCESA-N 1 1 283.799 3.353 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC001181741667 810069360 /nfs/dbraw/zinc/06/93/60/810069360.db2.gz TZDIIDRAVWPZKI-HIFRSBDPSA-N 1 1 281.783 3.189 20 10 CGCDMO Cc1ccc(O)c(Nc2cc[nH+]cc2C(F)(F)F)c1 ZINC001214217429 815386019 /nfs/dbraw/zinc/38/60/19/815386019.db2.gz ZDCKOYQZECEQOQ-UHFFFAOYSA-N 1 1 268.238 3.280 20 10 CGCDMO Cc1nc([C@@H]2CCC[N@H+]2Cc2ccc(N(C)C)cc2)[nH]c1C ZINC001197709857 811446440 /nfs/dbraw/zinc/44/64/40/811446440.db2.gz AMIWYAQYEFEXHW-KRWDZBQOSA-N 1 1 298.434 3.430 20 10 CGCDMO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccc(N(C)C)cc2)[nH]c1C ZINC001197709857 811446446 /nfs/dbraw/zinc/44/64/46/811446446.db2.gz AMIWYAQYEFEXHW-KRWDZBQOSA-N 1 1 298.434 3.430 20 10 CGCDMO C[N@H+](Cc1ccc(N2CCCC2)cc1)CC1CCOCC1 ZINC001202590620 812129082 /nfs/dbraw/zinc/12/90/82/812129082.db2.gz FZLJAXULOITZHR-UHFFFAOYSA-N 1 1 288.435 3.145 20 10 CGCDMO Oc1cc2c(cc1O)C[N@H+](Cc1ccccc1F)CCC2 ZINC001203357268 812322246 /nfs/dbraw/zinc/32/22/46/812322246.db2.gz HAGOERIVOBOEAQ-UHFFFAOYSA-N 1 1 287.334 3.185 20 10 CGCDMO Oc1cc2c(cc1O)C[N@@H+](Cc1ccccc1F)CCC2 ZINC001203357268 812322249 /nfs/dbraw/zinc/32/22/49/812322249.db2.gz HAGOERIVOBOEAQ-UHFFFAOYSA-N 1 1 287.334 3.185 20 10 CGCDMO C[C@H](c1ccccc1)[NH+]1CCN(Cc2ccccc2O)CC1 ZINC001203557080 812391463 /nfs/dbraw/zinc/39/14/63/812391463.db2.gz ZAQDCECCYIACSA-MRXNPFEDSA-N 1 1 296.414 3.271 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@@H](C)[C@@H](C)C2)c1O ZINC001203586102 812401296 /nfs/dbraw/zinc/40/12/96/812401296.db2.gz YLXWDSGRWNNSAI-OLZOCXBDSA-N 1 1 263.381 3.269 20 10 CGCDMO CCOc1cccc(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c1O ZINC001203603445 812405453 /nfs/dbraw/zinc/40/54/53/812405453.db2.gz PMIDYDJVRWECOF-YPMHNXCESA-N 1 1 297.345 3.268 20 10 CGCDMO COc1cccc([C@H]2CC[N@@H+](Cc3ccc(O)c(O)c3)C2)c1 ZINC001203878785 812478256 /nfs/dbraw/zinc/47/82/56/812478256.db2.gz BSGLIPWTPDKKLT-HNNXBMFYSA-N 1 1 299.370 3.096 20 10 CGCDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874191 812478551 /nfs/dbraw/zinc/47/85/51/812478551.db2.gz SHXHPZDWLSKKNS-CQSZACIVSA-N 1 1 299.370 3.096 20 10 CGCDMO Oc1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)cc1O ZINC001203880805 812478922 /nfs/dbraw/zinc/47/89/22/812478922.db2.gz ZZSSHBPGZURTLK-AWEZNQCLSA-N 1 1 255.317 3.045 20 10 CGCDMO Oc1ccc(C[N@H+]2CC[C@H]2c2ccccc2)cc1O ZINC001203880805 812478928 /nfs/dbraw/zinc/47/89/28/812478928.db2.gz ZZSSHBPGZURTLK-AWEZNQCLSA-N 1 1 255.317 3.045 20 10 CGCDMO Oc1cc2c(cc1O)C[N@H+](Cc1ccc(F)cc1)CCC2 ZINC001203915651 812491164 /nfs/dbraw/zinc/49/11/64/812491164.db2.gz ZIDBJBDPOOZBQO-UHFFFAOYSA-N 1 1 287.334 3.185 20 10 CGCDMO Oc1cc2c(cc1O)C[N@@H+](Cc1ccc(F)cc1)CCC2 ZINC001203915651 812491167 /nfs/dbraw/zinc/49/11/67/812491167.db2.gz ZIDBJBDPOOZBQO-UHFFFAOYSA-N 1 1 287.334 3.185 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)cc1 ZINC001203930279 812494863 /nfs/dbraw/zinc/49/48/63/812494863.db2.gz QUZGGSGHAYQAJW-AWEZNQCLSA-N 1 1 286.341 3.322 20 10 CGCDMO Oc1cc2c(cc1O)C[N@@H+](Cc1cccs1)CCC2 ZINC001204018609 812521815 /nfs/dbraw/zinc/52/18/15/812521815.db2.gz PPBWZIBMVRKQTI-UHFFFAOYSA-N 1 1 275.373 3.108 20 10 CGCDMO Oc1cccc2c1C[N@H+](Cc1cccc(F)c1F)CC2 ZINC001204203248 812573848 /nfs/dbraw/zinc/57/38/48/812573848.db2.gz WAYVCJDVHGHDOK-UHFFFAOYSA-N 1 1 275.298 3.229 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1cccc(F)c1F)CC2 ZINC001204203248 812573853 /nfs/dbraw/zinc/57/38/53/812573853.db2.gz WAYVCJDVHGHDOK-UHFFFAOYSA-N 1 1 275.298 3.229 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204235067 812581985 /nfs/dbraw/zinc/58/19/85/812581985.db2.gz FMPJGVLBIFTSLJ-OAHLLOKOSA-N 1 1 284.403 3.127 20 10 CGCDMO Oc1ccc(C[N@H+]2CCC[C@H]2c2cccs2)c(O)c1 ZINC001204274519 812591945 /nfs/dbraw/zinc/59/19/45/812591945.db2.gz CUCDVMKCNHVFEI-ZDUSSCGKSA-N 1 1 275.373 3.496 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H]1F ZINC001204323211 812612950 /nfs/dbraw/zinc/61/29/50/812612950.db2.gz GAPRMAWCTMSIIJ-CJNGLKHVSA-N 1 1 262.372 3.077 20 10 CGCDMO C[C@H]1C[C@@H](CF)[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204326539 812614755 /nfs/dbraw/zinc/61/47/55/812614755.db2.gz ZPWOUANXQNMSLS-YOEHRIQHSA-N 1 1 276.399 3.467 20 10 CGCDMO CC[N@@H+](Cc1cnn(C)c1)Cc1cc(C(C)C)ccc1O ZINC001204563439 812678789 /nfs/dbraw/zinc/67/87/89/812678789.db2.gz CHOFYMPYVKIOTQ-UHFFFAOYSA-N 1 1 287.407 3.271 20 10 CGCDMO CC[N@@H+](Cc1nc2ccccc2[nH]1)Cc1ccccc1O ZINC001204793299 812738152 /nfs/dbraw/zinc/73/81/52/812738152.db2.gz HVDNMDVVXJGPKU-UHFFFAOYSA-N 1 1 281.359 3.291 20 10 CGCDMO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(Cl)cc1O ZINC001205177864 812898535 /nfs/dbraw/zinc/89/85/35/812898535.db2.gz KKKPDZBSKNWGEE-ZWNOBZJWSA-N 1 1 269.772 3.045 20 10 CGCDMO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(Cl)cc1O ZINC001205177864 812898544 /nfs/dbraw/zinc/89/85/44/812898544.db2.gz KKKPDZBSKNWGEE-ZWNOBZJWSA-N 1 1 269.772 3.045 20 10 CGCDMO Cc1noc([C@@H](C)[NH2+]Cc2cc(C(C)C)ccc2O)n1 ZINC001205650105 813040412 /nfs/dbraw/zinc/04/04/12/813040412.db2.gz DFVJVBYGDVVWDY-SNVBAGLBSA-N 1 1 275.352 3.058 20 10 CGCDMO CCOC[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1C ZINC001206239699 813251452 /nfs/dbraw/zinc/25/14/52/813251452.db2.gz KXZWNTPRGCLJOF-SFHVURJKSA-N 1 1 290.451 3.452 20 10 CGCDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1C ZINC001206239698 813251853 /nfs/dbraw/zinc/25/18/53/813251853.db2.gz KXZWNTPRGCLJOF-GOSISDBHSA-N 1 1 290.451 3.452 20 10 CGCDMO CC[N@@H+](Cc1c(C)noc1C)Cc1ccccc1O ZINC001207139999 813496160 /nfs/dbraw/zinc/49/61/60/813496160.db2.gz WAPMSQVQKVKSQV-UHFFFAOYSA-N 1 1 260.337 3.019 20 10 CGCDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC001207837775 813657656 /nfs/dbraw/zinc/65/76/56/813657656.db2.gz SPPBVTCBMLWBTI-HNNXBMFYSA-N 1 1 281.371 3.168 20 10 CGCDMO CC[N@@H+](CCCC(C)(C)OC(C)=O)Cc1ccccc1O ZINC001209154954 813950396 /nfs/dbraw/zinc/95/03/96/813950396.db2.gz BRSHONWSKALJBK-UHFFFAOYSA-N 1 1 293.407 3.336 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@@H](CO)C2)cc1 ZINC001209519006 814073152 /nfs/dbraw/zinc/07/31/52/814073152.db2.gz PMJPCLMWDMWRLM-GOSISDBHSA-N 1 1 298.430 3.298 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCN(C)[C@H](C)C2)cc1 ZINC001209519933 814073356 /nfs/dbraw/zinc/07/33/56/814073356.db2.gz KHEFYMSQRQMVOG-QGZVFWFLSA-N 1 1 297.446 3.230 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(CN2CC[N@H+](C)[C@H](C)C2)cc1 ZINC001209519933 814073363 /nfs/dbraw/zinc/07/33/63/814073363.db2.gz KHEFYMSQRQMVOG-QGZVFWFLSA-N 1 1 297.446 3.230 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(CN2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC001209519933 814073371 /nfs/dbraw/zinc/07/33/71/814073371.db2.gz KHEFYMSQRQMVOG-QGZVFWFLSA-N 1 1 297.446 3.230 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222272098 816392161 /nfs/dbraw/zinc/39/21/61/816392161.db2.gz NRIWANOCLXQKBT-MRXNPFEDSA-N 1 1 294.826 3.011 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CC[C@@]1(C)O ZINC001231586699 818129082 /nfs/dbraw/zinc/12/90/82/818129082.db2.gz LACNTBVLZSMNJU-SCLBCKFNSA-N 1 1 285.387 3.138 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1Cc2ccncc2C1 ZINC001231590149 818130355 /nfs/dbraw/zinc/13/03/55/818130355.db2.gz MRKPBAAIJMOJGU-UHFFFAOYSA-N 1 1 276.339 3.456 20 10 CGCDMO Cc1cccc(C[N@H+]2CCCC[C@](C)(F)C2)c1O ZINC001231590634 818131422 /nfs/dbraw/zinc/13/14/22/818131422.db2.gz CNKBHTGQVRTNFT-HNNXBMFYSA-N 1 1 251.345 3.415 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@H](c3ccccn3)C2)c1O ZINC001231593294 818131546 /nfs/dbraw/zinc/13/15/46/818131546.db2.gz UATFXXTWENSQFZ-HNNXBMFYSA-N 1 1 282.387 3.475 20 10 CGCDMO COc1cc(F)ccc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001231604419 818136952 /nfs/dbraw/zinc/13/69/52/818136952.db2.gz AGMLQWNWWZLRCO-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCc3c(O)cccc3C2)c(O)c1 ZINC001231841416 818185810 /nfs/dbraw/zinc/18/58/10/818185810.db2.gz AUNLCCIREVHJRM-UHFFFAOYSA-N 1 1 283.371 3.273 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@H](Oc3ccncc3)C2)c(O)c1 ZINC001231847944 818187779 /nfs/dbraw/zinc/18/77/79/818187779.db2.gz GDJNSFITNNFMLB-INIZCTEOSA-N 1 1 298.386 3.057 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](C)CC1 ZINC001231851378 818188291 /nfs/dbraw/zinc/18/82/91/818188291.db2.gz GONHKGFGASBXFY-CQSZACIVSA-N 1 1 276.424 3.383 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1C[C@H](C)CC12CC2 ZINC001231858512 818190773 /nfs/dbraw/zinc/19/07/73/818190773.db2.gz WVHMIUNYLKDPBF-CYBMUJFWSA-N 1 1 274.408 3.136 20 10 CGCDMO CSCC[N@@H+](C)Cc1cc(Cl)c(C)cc1O ZINC001231870009 818193653 /nfs/dbraw/zinc/19/36/53/818193653.db2.gz FUWGZZBVGSZQDN-UHFFFAOYSA-N 1 1 259.802 3.149 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)cc1Cl ZINC001231868819 818194105 /nfs/dbraw/zinc/19/41/05/818194105.db2.gz ZBCZDJTXSLNATM-BLLLJJGKSA-N 1 1 295.810 3.355 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CCCC1=O ZINC001231879340 818199935 /nfs/dbraw/zinc/19/99/35/818199935.db2.gz BXMNJPGJXYALBH-CYBMUJFWSA-N 1 1 283.371 3.346 20 10 CGCDMO Oc1c(CN2CCC[N@H+]3CCC[C@@H]3C2)ccc2ccccc21 ZINC001231883100 818201860 /nfs/dbraw/zinc/20/18/60/818201860.db2.gz YCIGYSDLAFFKBN-QGZVFWFLSA-N 1 1 296.414 3.216 20 10 CGCDMO Oc1c(C[N@@H+]2CCCN3CCC[C@@H]3C2)ccc2ccccc21 ZINC001231883100 818201867 /nfs/dbraw/zinc/20/18/67/818201867.db2.gz YCIGYSDLAFFKBN-QGZVFWFLSA-N 1 1 296.414 3.216 20 10 CGCDMO Oc1c(C[N@H+]2CCCN3CCC[C@@H]3C2)ccc2ccccc21 ZINC001231883100 818201872 /nfs/dbraw/zinc/20/18/72/818201872.db2.gz YCIGYSDLAFFKBN-QGZVFWFLSA-N 1 1 296.414 3.216 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cc3ncccc3[nH]2)cc1 ZINC001232066930 818245925 /nfs/dbraw/zinc/24/59/25/818245925.db2.gz FZACNRYTXNZIDA-UHFFFAOYSA-N 1 1 294.402 3.261 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c(C)n1 ZINC001232084179 818251247 /nfs/dbraw/zinc/25/12/47/818251247.db2.gz FAYCJLILHWZUHV-UHFFFAOYSA-N 1 1 283.419 3.396 20 10 CGCDMO CCC[N@@H+](C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232198293 818274730 /nfs/dbraw/zinc/27/47/30/818274730.db2.gz OXLCURRASRRZNU-UHFFFAOYSA-N 1 1 282.815 3.018 20 10 CGCDMO CC[N@H+](Cc1ncsc1C)Cc1ccccc1O ZINC001232212395 818278118 /nfs/dbraw/zinc/27/81/18/818278118.db2.gz PPPNLOGTZXHMOL-UHFFFAOYSA-N 1 1 262.378 3.179 20 10 CGCDMO CC[N@@H+](Cc1ncsc1C)Cc1ccccc1O ZINC001232212395 818278123 /nfs/dbraw/zinc/27/81/23/818278123.db2.gz PPPNLOGTZXHMOL-UHFFFAOYSA-N 1 1 262.378 3.179 20 10 CGCDMO C[N@@H+](Cc1ccccc1)Cc1cc(Cl)c(O)cc1O ZINC001232259420 818295458 /nfs/dbraw/zinc/29/54/58/818295458.db2.gz YCYNVDYDBGKQSC-UHFFFAOYSA-N 1 1 277.751 3.383 20 10 CGCDMO Oc1cc(O)c(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1Cl ZINC001232259561 818295656 /nfs/dbraw/zinc/29/56/56/818295656.db2.gz LBKUJTOXPRQZSB-PHIMTYICSA-N 1 1 281.783 3.373 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)C2(CC2)C1 ZINC001232263565 818297003 /nfs/dbraw/zinc/29/70/03/818297003.db2.gz ROPDRFSRWBHTCO-SECBINFHSA-N 1 1 267.756 3.126 20 10 CGCDMO C[N@@H+](Cc1cc(Cl)c(O)cc1O)C1CCCC1 ZINC001232267780 818297054 /nfs/dbraw/zinc/29/70/54/818297054.db2.gz LWIQPUBZEUYKDJ-UHFFFAOYSA-N 1 1 255.745 3.126 20 10 CGCDMO C[C@H]1CCCC[N@@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232833711 818451353 /nfs/dbraw/zinc/45/13/53/818451353.db2.gz CXOFTAYDOMVAKL-ZDUSSCGKSA-N 1 1 262.397 3.080 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCc3sccc3C2)c(O)c1 ZINC001232835304 818451689 /nfs/dbraw/zinc/45/16/89/818451689.db2.gz AGELHVBAJPSCOK-UHFFFAOYSA-N 1 1 288.416 3.078 20 10 CGCDMO Cn1cc(C[N@@H+](C)Cc2cc(C(C)(C)C)ccc2O)cn1 ZINC001233283459 818565559 /nfs/dbraw/zinc/56/55/59/818565559.db2.gz HRYFELMVVUUTDK-UHFFFAOYSA-N 1 1 287.407 3.055 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)c1 ZINC001233286444 818567402 /nfs/dbraw/zinc/56/74/02/818567402.db2.gz UNQRMZKFEUUMGA-BETUJISGSA-N 1 1 287.403 3.101 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2O)CC[C@H]1O ZINC001234998169 818972359 /nfs/dbraw/zinc/97/23/59/818972359.db2.gz GMVKOEOISFHBJQ-RDTXWAMCSA-N 1 1 297.398 3.262 20 10 CGCDMO COc1cc(C[N@@H+](C)Cc2ccccc2O)cc(F)c1F ZINC001235439262 819100283 /nfs/dbraw/zinc/10/02/83/819100283.db2.gz JCRSTFQRTOHAHE-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](O)CC2)c(O)c1 ZINC001235675910 819136833 /nfs/dbraw/zinc/13/68/33/819136833.db2.gz LXXHHSHNJVINDT-OAHLLOKOSA-N 1 1 277.408 3.037 20 10 CGCDMO C[C@@H]1COCC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235676751 819137256 /nfs/dbraw/zinc/13/72/56/819137256.db2.gz SVKQOEINJSUNSD-ZDUSSCGKSA-N 1 1 277.408 3.158 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CC[C@@]23CCOC3)c(O)c1 ZINC001235679240 819138140 /nfs/dbraw/zinc/13/81/40/819138140.db2.gz DQCFOWMUFSHMST-KRWDZBQOSA-N 1 1 275.392 3.055 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CCCCC23COC3)c(O)c1 ZINC001235686231 819141911 /nfs/dbraw/zinc/14/19/11/819141911.db2.gz YUJWYYCYRVIWGT-UHFFFAOYSA-N 1 1 289.419 3.445 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(CN(C)C[C@@H]2CC[NH2+]C2)cc1 ZINC001235841971 819183068 /nfs/dbraw/zinc/18/30/68/819183068.db2.gz KUDPXRGWNFWQKE-GOSISDBHSA-N 1 1 297.446 3.135 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCN[C@H](c3ccccc3)C2)c1O ZINC001235856237 819186925 /nfs/dbraw/zinc/18/69/25/819186925.db2.gz WTKSRNCZODRANX-SFHVURJKSA-N 1 1 296.414 3.156 20 10 CGCDMO Cc1cc(C[N@H+]2CCc3c(N)cccc3C2)ccc1N(C)C ZINC001236364068 819435994 /nfs/dbraw/zinc/43/59/94/819435994.db2.gz PDQKKQSKNKVNOU-UHFFFAOYSA-N 1 1 295.430 3.202 20 10 CGCDMO [O-]c1c(F)cccc1C[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236653211 819563346 /nfs/dbraw/zinc/56/33/46/819563346.db2.gz PIAWVYJYFCRFLH-HNNXBMFYSA-N 1 1 292.398 3.028 20 10 CGCDMO Oc1c(F)cccc1CN([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236653211 819563348 /nfs/dbraw/zinc/56/33/48/819563348.db2.gz PIAWVYJYFCRFLH-HNNXBMFYSA-N 1 1 292.398 3.028 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)[C@H]2CC[C@H](C)CC2)cc1OC ZINC001236757179 819590552 /nfs/dbraw/zinc/59/05/52/819590552.db2.gz NXBMDSQQWZFABN-MQMHXKEQSA-N 1 1 293.407 3.420 20 10 CGCDMO CCc1ccc(C[N@H+]2CC[C@@](C)(F)[C@H](F)C2)c(O)c1 ZINC001236783899 819593351 /nfs/dbraw/zinc/59/33/51/819593351.db2.gz PNWLEEMILXTQLF-HUUCEWRRSA-N 1 1 269.335 3.227 20 10 CGCDMO CCc1ccc(C[N@@H+](C(C)C)C2CCN(C)CC2)c(O)c1 ZINC001236787203 819595386 /nfs/dbraw/zinc/59/53/86/819595386.db2.gz HIEOZZABKPJAGZ-UHFFFAOYSA-N 1 1 290.451 3.259 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCCC[C@@](C)(F)C2)c(O)c1 ZINC001236807686 819602254 /nfs/dbraw/zinc/60/22/54/819602254.db2.gz IXSUUKFKRACXGU-MRXNPFEDSA-N 1 1 281.371 3.423 20 10 CGCDMO COc1ccc(C[NH+]2CCC(CF)CC2)c(O)c1Cl ZINC001236808462 819602897 /nfs/dbraw/zinc/60/28/97/819602897.db2.gz BDMPBXLZQCBJRK-UHFFFAOYSA-N 1 1 287.762 3.236 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CC[C@@H](c3ccncc3)C2)c(O)c1 ZINC001236812859 819603705 /nfs/dbraw/zinc/60/37/05/819603705.db2.gz FXDVOLFKRQDBHW-OAHLLOKOSA-N 1 1 298.386 3.094 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001236827193 819610051 /nfs/dbraw/zinc/61/00/51/819610051.db2.gz QXILPSDXEWFHHM-ACJLOTCBSA-N 1 1 283.371 3.156 20 10 CGCDMO CN1CC[C@]2(CC[N@H+](Cc3cc4ccccc4cc3O)C2)C1 ZINC001236836297 819615355 /nfs/dbraw/zinc/61/53/55/819615355.db2.gz GMMKDHUSSIQCAA-IBGZPJMESA-N 1 1 296.414 3.073 20 10 CGCDMO CN1CC[C@]2(CC[N@@H+](Cc3cc4ccccc4cc3O)C2)C1 ZINC001236836297 819615361 /nfs/dbraw/zinc/61/53/61/819615361.db2.gz GMMKDHUSSIQCAA-IBGZPJMESA-N 1 1 296.414 3.073 20 10 CGCDMO CN1CC[C@@]2(CC[N@H+](Cc3cc4ccccc4cc3O)C2)C1 ZINC001236836303 819615585 /nfs/dbraw/zinc/61/55/85/819615585.db2.gz GMMKDHUSSIQCAA-LJQANCHMSA-N 1 1 296.414 3.073 20 10 CGCDMO CN1CC[C@@]2(CC[N@@H+](Cc3cc4ccccc4cc3O)C2)C1 ZINC001236836303 819615588 /nfs/dbraw/zinc/61/55/88/819615588.db2.gz GMMKDHUSSIQCAA-LJQANCHMSA-N 1 1 296.414 3.073 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](CO)CC2)c(O)c1 ZINC001237044872 819649725 /nfs/dbraw/zinc/64/97/25/819649725.db2.gz FEXIXKILWANAEB-AWEZNQCLSA-N 1 1 277.408 3.110 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@](O)(CF)CC2)c(O)c1 ZINC001237047026 819650165 /nfs/dbraw/zinc/65/01/65/819650165.db2.gz YQOQAFUAAQRFTH-QGZVFWFLSA-N 1 1 295.398 3.202 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCO3)C2)c(O)c1 ZINC001237048106 819651852 /nfs/dbraw/zinc/65/18/52/819651852.db2.gz CZJIGJDWHBUOCW-QGZVFWFLSA-N 1 1 275.392 3.271 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCc3c(cc[nH]c3=O)C2)c(O)c1 ZINC001237056219 819654026 /nfs/dbraw/zinc/65/40/26/819654026.db2.gz VFBYWEWURDDKCN-UHFFFAOYSA-N 1 1 298.386 3.175 20 10 CGCDMO CC(C)c1ccc(CN(C)CCC[NH+]2CCCC2)c(O)c1 ZINC001237054329 819654685 /nfs/dbraw/zinc/65/46/85/819654685.db2.gz VXWSQUGKZBNRHP-UHFFFAOYSA-N 1 1 290.451 3.433 20 10 CGCDMO Oc1cccc(OC(F)(F)F)c1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001237115999 819671472 /nfs/dbraw/zinc/67/14/72/819671472.db2.gz VTELQJDJXIOLJW-GXSJLCMTSA-N 1 1 287.281 3.275 20 10 CGCDMO CC1CC([N@@H+](C)Cc2c(O)ccc(F)c2Cl)C1 ZINC001237121482 819673104 /nfs/dbraw/zinc/67/31/04/819673104.db2.gz OIMKEXCQPPSBAC-UHFFFAOYSA-N 1 1 257.736 3.415 20 10 CGCDMO CCC[N@@H+](C)Cc1c(O)cccc1OC(F)(F)F ZINC001237121249 819673906 /nfs/dbraw/zinc/67/39/06/819673906.db2.gz WVSADWOCGILLKL-UHFFFAOYSA-N 1 1 263.259 3.133 20 10 CGCDMO CC(C)O[C@H]1CC[N@@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237127870 819675005 /nfs/dbraw/zinc/67/50/05/819675005.db2.gz HBOWLXDJNHIDMH-JTQLQIEISA-N 1 1 287.762 3.184 20 10 CGCDMO Cc1cccc(O)c1C[NH+]1CC(Oc2ccccc2F)C1 ZINC001237486687 819762521 /nfs/dbraw/zinc/76/25/21/819762521.db2.gz BOUVJXDUJDMOBS-UHFFFAOYSA-N 1 1 287.334 3.103 20 10 CGCDMO Cc1cccc(O)c1C[N@H+](CCCCCO)C(C)C ZINC001237496227 819763861 /nfs/dbraw/zinc/76/38/61/819763861.db2.gz XHBSEHRSBIHJAX-UHFFFAOYSA-N 1 1 265.397 3.074 20 10 CGCDMO COc1c(C)cccc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001237508055 819767586 /nfs/dbraw/zinc/76/75/86/819767586.db2.gz PMKRERSSXPMORV-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO Oc1ccc(-c2ccc(F)cc2)cc1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001237648223 819797653 /nfs/dbraw/zinc/79/76/53/819797653.db2.gz YOZWQSHWSKZCMC-IRXDYDNUSA-N 1 1 299.345 3.171 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@](C)(F)CC2)c(O)c(OC)c1 ZINC001237675594 819804900 /nfs/dbraw/zinc/80/49/00/819804900.db2.gz YFEAPHLJVHINGN-INIZCTEOSA-N 1 1 297.370 3.124 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c1O ZINC001237690142 819807664 /nfs/dbraw/zinc/80/76/64/819807664.db2.gz MUCJPKJLLKMIFW-BXUZGUMPSA-N 1 1 293.794 3.155 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2CF)c1O ZINC001237688931 819809585 /nfs/dbraw/zinc/80/95/85/819809585.db2.gz LHKTWBRVENVCKX-GFCCVEGCSA-N 1 1 257.736 3.288 20 10 CGCDMO Cc1cc(F)cc(C[N@H+](C(C)C)C2CCN(C)CC2)c1O ZINC001238066809 819922192 /nfs/dbraw/zinc/92/21/92/819922192.db2.gz LVPNRGNZSKMTKQ-UHFFFAOYSA-N 1 1 294.414 3.144 20 10 CGCDMO Cn1ccc2c1cc[nH+]c2-c1cnn([C@H]2CCCCO2)c1 ZINC001240671223 821231519 /nfs/dbraw/zinc/23/15/19/821231519.db2.gz BHCNKZGLYXBXHZ-OAHLLOKOSA-N 1 1 282.347 3.136 20 10 CGCDMO Cc1ncc(C[NH2+][C@@H](C)c2c(O)cccc2F)s1 ZINC001350085882 936977435 /nfs/dbraw/zinc/97/74/35/936977435.db2.gz NQYUJZBGEVRSNE-QMMMGPOBSA-N 1 1 266.341 3.147 20 10 CGCDMO FC(F)(F)C1C[NH+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001353556993 937069129 /nfs/dbraw/zinc/06/91/29/937069129.db2.gz ZHACHZUQHCTQFR-UHFFFAOYSA-N 1 1 284.325 3.281 20 10 CGCDMO CCCCC[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139404451 931952795 /nfs/dbraw/zinc/95/27/95/931952795.db2.gz HSZOVCXVTHTMDJ-UHFFFAOYSA-N 1 1 289.467 3.060 20 10 CGCDMO CCCCC[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139404451 931952804 /nfs/dbraw/zinc/95/28/04/931952804.db2.gz HSZOVCXVTHTMDJ-UHFFFAOYSA-N 1 1 289.467 3.060 20 10 CGCDMO CC1(C)CC([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC001461644820 937589768 /nfs/dbraw/zinc/58/97/68/937589768.db2.gz FQWYMDJATJISGO-UHFFFAOYSA-N 1 1 257.736 3.463 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1c(O)cccc1F ZINC001331704775 932714839 /nfs/dbraw/zinc/71/48/39/932714839.db2.gz YSTNPPSYDPBWAY-WDEREUQCSA-N 1 1 297.370 3.302 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C)[C@H](CC)CO1 ZINC001462415259 937639285 /nfs/dbraw/zinc/63/92/85/937639285.db2.gz PGGOLHIFMGDZPF-SJLPKXTDSA-N 1 1 290.451 3.450 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C3CCC3)C2)c1O ZINC001307842792 933006776 /nfs/dbraw/zinc/00/67/76/933006776.db2.gz JEOVFULBRWYPJU-CYBMUJFWSA-N 1 1 291.366 3.356 20 10 CGCDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C)cc2O)C1(C)C ZINC001308567782 933134791 /nfs/dbraw/zinc/13/47/91/933134791.db2.gz OUZUUQNDYBJGAB-CVEARBPZSA-N 1 1 277.408 3.336 20 10 CGCDMO Cc1ccncc1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC001308779843 933175001 /nfs/dbraw/zinc/17/50/01/933175001.db2.gz VACJUCLKEGMABX-UHFFFAOYSA-N 1 1 280.730 3.178 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CC[C@H](O)C23CCCC3)c1 ZINC001308792502 933177469 /nfs/dbraw/zinc/17/74/69/933177469.db2.gz PQBGIKGLFQXHGZ-KRWDZBQOSA-N 1 1 289.419 3.395 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)c(Cl)c1 ZINC001308847979 933189564 /nfs/dbraw/zinc/18/95/64/933189564.db2.gz HNQWNYANSPHSPI-GFCCVEGCSA-N 1 1 295.810 3.497 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]CCc1ccc(F)cc1 ZINC001308948558 933209848 /nfs/dbraw/zinc/20/98/48/933209848.db2.gz OXBPTTGVLPETLT-UHFFFAOYSA-N 1 1 263.287 3.003 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CCCN(CC)C1)c1ccc(C)cc1O ZINC001321542408 934193030 /nfs/dbraw/zinc/19/30/30/934193030.db2.gz LKNMKSGFFQTHKW-WBVHZDCISA-N 1 1 290.451 3.473 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001324275759 934480139 /nfs/dbraw/zinc/48/01/39/934480139.db2.gz VCKDCUUMSXKPNA-ZUZCIYMTSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001324275759 934480143 /nfs/dbraw/zinc/48/01/43/934480143.db2.gz VCKDCUUMSXKPNA-ZUZCIYMTSA-N 1 1 299.773 3.186 20 10 CGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC001333683109 935561686 /nfs/dbraw/zinc/56/16/86/935561686.db2.gz QQGWBJLQRSSKMU-IYBDPMFKSA-N 1 1 288.460 3.082 20 10 CGCDMO Nc1ccc(C[N@H+]2CCC[C@H](Cc3nccs3)C2)cc1 ZINC001336118906 936176542 /nfs/dbraw/zinc/17/65/42/936176542.db2.gz MEMBZFAIMLSJQE-CQSZACIVSA-N 1 1 287.432 3.180 20 10 CGCDMO CCS[C@H]1CCCC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001336118297 936176641 /nfs/dbraw/zinc/17/66/41/936176641.db2.gz XCVXHEBWIOLCKF-HNNXBMFYSA-N 1 1 264.438 3.376 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](c3nccs3)C2)cc1C ZINC001337169345 936241259 /nfs/dbraw/zinc/24/12/59/936241259.db2.gz MFEBHWLUQHGAQT-CYBMUJFWSA-N 1 1 288.416 3.455 20 10 CGCDMO C[C@H](Cc1cccnc1)[NH2+]Cc1ccc(Cl)cc1O ZINC001474744980 937878359 /nfs/dbraw/zinc/87/83/59/937878359.db2.gz NKLKXNGIEJVNKG-LLVKDONJSA-N 1 1 276.767 3.161 20 10 CGCDMO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(F)c(F)cc1O ZINC001560778511 938275434 /nfs/dbraw/zinc/27/54/34/938275434.db2.gz DCJDIJWKMOTHBR-ZBFHGGJFSA-N 1 1 299.361 3.354 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2C[C@@H](O)CC(C)(C)C2)c1 ZINC001560970144 938287022 /nfs/dbraw/zinc/28/70/22/938287022.db2.gz LPVWKAWPEFAQIF-HNNXBMFYSA-N 1 1 277.408 3.108 20 10 CGCDMO COc1ccc(O)c([C@@H](C)NC[C@H]([NH3+])CCC(C)(C)C)c1 ZINC001579230743 962614958 /nfs/dbraw/zinc/61/49/58/962614958.db2.gz YUGMBKUWUGVRJD-CHWSQXEVSA-N 1 1 294.439 3.205 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1C ZINC000092072195 345830077 /nfs/dbraw/zinc/83/00/77/345830077.db2.gz FVRFEIYKSVTMED-AWEZNQCLSA-N 1 1 285.391 3.112 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC3(CCCC3)C2)cc1OC ZINC000160314170 346170870 /nfs/dbraw/zinc/17/08/70/346170870.db2.gz ACUJTZQFLFLAFI-UHFFFAOYSA-N 1 1 291.391 3.176 20 10 CGCDMO Cc1nccn1CCC[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000162831868 346180171 /nfs/dbraw/zinc/18/01/71/346180171.db2.gz IRNBCGXFTBVRMS-UHFFFAOYSA-N 1 1 287.407 3.036 20 10 CGCDMO C[C@@H]([NH2+]C[C@@]1(C)CCCS1)c1ccc(F)cc1O ZINC000133980259 371294715 /nfs/dbraw/zinc/29/47/15/371294715.db2.gz LTNQGNJOVJRGDS-QMTHXVAHSA-N 1 1 269.385 3.468 20 10 CGCDMO COCCc1cc[nH+]c(N[C@H](C)c2ccc(F)cc2O)c1 ZINC000287643677 371686779 /nfs/dbraw/zinc/68/67/79/371686779.db2.gz URQDZUTWOZZTOA-LLVKDONJSA-N 1 1 290.338 3.288 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CSCCS1)c1ccc(F)cc1O ZINC000168818201 372621648 /nfs/dbraw/zinc/62/16/48/372621648.db2.gz BYJBBIYPCMCUJK-ONGXEEELSA-N 1 1 287.425 3.031 20 10 CGCDMO Cc1cccnc1CC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000295861490 372937985 /nfs/dbraw/zinc/93/79/85/372937985.db2.gz BNPBPNGTRDTQSV-GFCCVEGCSA-N 1 1 274.339 3.128 20 10 CGCDMO Cc1cc[nH+]c(NCc2ccc(N(C)C)cc2C)c1 ZINC000301624548 373791919 /nfs/dbraw/zinc/79/19/19/373791919.db2.gz GQXPNXZMAKUCIB-UHFFFAOYSA-N 1 1 255.365 3.377 20 10 CGCDMO Cc1nc(NCc2ccc(N(C)C)c(F)c2)c(C)c(C)[nH+]1 ZINC000301702810 373799160 /nfs/dbraw/zinc/79/91/60/373799160.db2.gz UHWKKVCPNFPNAV-UHFFFAOYSA-N 1 1 288.370 3.219 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc3nccn32)cc1 ZINC000183376132 374408653 /nfs/dbraw/zinc/40/86/53/374408653.db2.gz KMWOZGBKDQGMTI-UHFFFAOYSA-N 1 1 294.402 3.032 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)CCN(C)C)cc1 ZINC000269033511 378176832 /nfs/dbraw/zinc/17/68/32/378176832.db2.gz SFAJEQIKNFQKQN-HUUCEWRRSA-N 1 1 277.456 3.134 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)Cc2cccs2)c1O ZINC000271006564 378426779 /nfs/dbraw/zinc/42/67/79/378426779.db2.gz NRZNLIFDJNAKHD-UHFFFAOYSA-N 1 1 277.389 3.484 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCCC3(CCOCC3)C2)c1 ZINC000271208553 378483353 /nfs/dbraw/zinc/48/33/53/378483353.db2.gz XLAYJAWELSMYQO-UHFFFAOYSA-N 1 1 275.392 3.093 20 10 CGCDMO Cc1cc(Cl)cc(C[NH2+][C@H]2CCCc3c[nH]nc32)c1O ZINC000271775386 378504503 /nfs/dbraw/zinc/50/45/03/378504503.db2.gz CNMJQTIEELYFED-ZDUSSCGKSA-N 1 1 291.782 3.244 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1O ZINC000373536276 379295165 /nfs/dbraw/zinc/29/51/65/379295165.db2.gz VJCBBLOLTIBEFQ-MRXNPFEDSA-N 1 1 275.392 3.092 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000375321330 379493848 /nfs/dbraw/zinc/49/38/48/379493848.db2.gz PRHHDXQJFMLFSD-TZMCWYRMSA-N 1 1 299.773 3.328 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000375321330 379493853 /nfs/dbraw/zinc/49/38/53/379493853.db2.gz PRHHDXQJFMLFSD-TZMCWYRMSA-N 1 1 299.773 3.328 20 10 CGCDMO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000414150645 380193145 /nfs/dbraw/zinc/19/31/45/380193145.db2.gz PHNQWJNZTOYVRB-ZDUSSCGKSA-N 1 1 282.391 3.071 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000291504596 285398631 /nfs/dbraw/zinc/39/86/31/285398631.db2.gz HQZVCTKSJLKSOQ-QGZVFWFLSA-N 1 1 294.398 3.029 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](C)[C@H](CCO)c2ccccc2)c1 ZINC000093442720 392238067 /nfs/dbraw/zinc/23/80/67/392238067.db2.gz DSTLGCBSYVIXCF-QGZVFWFLSA-N 1 1 285.387 3.256 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)c1O ZINC000289225429 392417532 /nfs/dbraw/zinc/41/75/32/392417532.db2.gz AJCIZOQFJAVNEU-UHFFFAOYSA-N 1 1 297.354 3.074 20 10 CGCDMO Oc1c(F)cccc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000374897161 392716081 /nfs/dbraw/zinc/71/60/81/392716081.db2.gz POPPSEIRCLTDTR-UHFFFAOYSA-N 1 1 293.382 3.170 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](C3CC3)C2)c1 ZINC000378347515 392896082 /nfs/dbraw/zinc/89/60/82/392896082.db2.gz JHZCRRNKBKJSTB-ZDUSSCGKSA-N 1 1 261.365 3.023 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H](C)C2CC2)c1O ZINC000037328734 173129256 /nfs/dbraw/zinc/12/92/56/173129256.db2.gz IDYBBAFYRDOUHI-SECBINFHSA-N 1 1 281.783 3.479 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H](C)C2CC2)c1O ZINC000037328734 173129260 /nfs/dbraw/zinc/12/92/60/173129260.db2.gz IDYBBAFYRDOUHI-SECBINFHSA-N 1 1 281.783 3.479 20 10 CGCDMO CCC[N@H+](Cc1nccn1C(F)F)Cc1ccccc1O ZINC000075829161 260291813 /nfs/dbraw/zinc/29/18/13/260291813.db2.gz AEBKCKIBKBOXSG-UHFFFAOYSA-N 1 1 295.333 3.396 20 10 CGCDMO CCC[N@@H+](Cc1nccn1C(F)F)Cc1ccccc1O ZINC000075829161 260291815 /nfs/dbraw/zinc/29/18/15/260291815.db2.gz AEBKCKIBKBOXSG-UHFFFAOYSA-N 1 1 295.333 3.396 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000151899408 261056733 /nfs/dbraw/zinc/05/67/33/261056733.db2.gz UYVMSJHOYZZFAC-KRWDZBQOSA-N 1 1 290.451 3.391 20 10 CGCDMO CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000185059686 262039414 /nfs/dbraw/zinc/03/94/14/262039414.db2.gz LPNWHRSWTWJGJD-NWDGAFQWSA-N 1 1 282.815 3.038 20 10 CGCDMO CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000185059686 262039416 /nfs/dbraw/zinc/03/94/16/262039416.db2.gz LPNWHRSWTWJGJD-NWDGAFQWSA-N 1 1 282.815 3.038 20 10 CGCDMO C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(F)cc1O ZINC000185162412 262044487 /nfs/dbraw/zinc/04/44/87/262044487.db2.gz ZSMRMEPXKCLCTK-MGPLVRAMSA-N 1 1 293.313 3.055 20 10 CGCDMO CCc1nc(CC[NH2+][C@H](C)c2ccc(F)cc2O)cs1 ZINC000185310695 262050363 /nfs/dbraw/zinc/05/03/63/262050363.db2.gz NPAXFIJUUQNCQX-SNVBAGLBSA-N 1 1 294.395 3.444 20 10 CGCDMO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000186174625 262082939 /nfs/dbraw/zinc/08/29/39/262082939.db2.gz PYCIWTLVJFVNDS-XHDPSFHLSA-N 1 1 283.387 3.225 20 10 CGCDMO COc1ccc(O)c([C@@H](C)Nc2cc(C)cc[nH+]2)c1 ZINC000186242789 262085565 /nfs/dbraw/zinc/08/55/65/262085565.db2.gz VCKYBEHEMRNDEC-LLVKDONJSA-N 1 1 258.321 3.277 20 10 CGCDMO C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1O)c1nccs1 ZINC000186727455 262322301 /nfs/dbraw/zinc/32/23/01/262322301.db2.gz QOKTWETXUHNHHE-NXEZZACHSA-N 1 1 280.368 3.442 20 10 CGCDMO CS[C@@H]1CCCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000272440190 263004389 /nfs/dbraw/zinc/00/43/89/263004389.db2.gz OMOCKWZSOBZPGU-GFCCVEGCSA-N 1 1 269.385 3.249 20 10 CGCDMO CS[C@@H]1CCCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000272440190 263004390 /nfs/dbraw/zinc/00/43/90/263004390.db2.gz OMOCKWZSOBZPGU-GFCCVEGCSA-N 1 1 269.385 3.249 20 10 CGCDMO CC[C@@H]([NH2+]C[C@](C)(OC)C1CC1)c1ccc(F)cc1O ZINC000291084969 263119931 /nfs/dbraw/zinc/11/99/31/263119931.db2.gz CHPNNHOEUPNDAZ-ZBFHGGJFSA-N 1 1 281.371 3.387 20 10 CGCDMO CCCOc1ccc(C[N@@H+](C(C)C)[C@@H]2CCOC2)c(O)c1 ZINC000291323680 328263221 /nfs/dbraw/zinc/26/32/21/328263221.db2.gz TUXLTVPDHOGSQG-OAHLLOKOSA-N 1 1 293.407 3.180 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)Cc2ccccc2O)c1 ZINC000091956429 327188044 /nfs/dbraw/zinc/18/80/44/327188044.db2.gz KNQXUEXWRQDGQP-UHFFFAOYSA-N 1 1 271.360 3.423 20 10 CGCDMO CCCO[C@H]1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000179573293 329209754 /nfs/dbraw/zinc/20/97/54/329209754.db2.gz AJDDYCPTWPINJL-HNNXBMFYSA-N 1 1 263.381 3.173 20 10 CGCDMO CC(C)[N@H+](Cc1cocn1)Cc1ccc(N(C)C)cc1 ZINC000278010684 519663028 /nfs/dbraw/zinc/66/30/28/519663028.db2.gz LZXPZFAOECNUGW-UHFFFAOYSA-N 1 1 273.380 3.151 20 10 CGCDMO CC(C)[N@@H+](Cc1cocn1)Cc1ccc(N(C)C)cc1 ZINC000278010684 519663030 /nfs/dbraw/zinc/66/30/30/519663030.db2.gz LZXPZFAOECNUGW-UHFFFAOYSA-N 1 1 273.380 3.151 20 10 CGCDMO CC1(C)CC[N@@H+](Cc2ccccc2O)CCS1 ZINC000279417239 520381078 /nfs/dbraw/zinc/38/10/78/520381078.db2.gz MYPOQANVQKSELW-UHFFFAOYSA-N 1 1 251.395 3.110 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCCCCO)cc1 ZINC000263708423 520890809 /nfs/dbraw/zinc/89/08/09/520890809.db2.gz CZZLWWVJRVYODX-UHFFFAOYSA-N 1 1 278.440 3.127 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@H]1CCOC(C)(C)C1 ZINC000291690193 521387029 /nfs/dbraw/zinc/38/70/29/521387029.db2.gz YADTXSVGEISCJD-AWEZNQCLSA-N 1 1 263.381 3.172 20 10 CGCDMO CCC[N@@H+](CCc1ccccn1)Cc1cc(F)ccc1O ZINC000289793667 521673130 /nfs/dbraw/zinc/67/31/30/521673130.db2.gz MEZNBDADEKHMKN-UHFFFAOYSA-N 1 1 288.366 3.381 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+](C(C)C)[C@H]2CCOC2)c1O ZINC000291278985 522535608 /nfs/dbraw/zinc/53/56/08/522535608.db2.gz OLUFUOUCOKMITA-ZDUSSCGKSA-N 1 1 299.798 3.054 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1ccc(F)cc1O ZINC000062746792 525598104 /nfs/dbraw/zinc/59/81/04/525598104.db2.gz KQSRSPLLAXPHIK-WDEREUQCSA-N 1 1 263.312 3.406 20 10 CGCDMO COc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2O)c1 ZINC000062747659 526036636 /nfs/dbraw/zinc/03/66/36/526036636.db2.gz WRQVDJLVIHVGRU-LLVKDONJSA-N 1 1 275.323 3.391 20 10 CGCDMO COc1ccc(CNCC[NH+]2[C@H](C)CCC[C@H]2C)cc1C ZINC000730818421 572377989 /nfs/dbraw/zinc/37/79/89/572377989.db2.gz VGLJARSVMLPJLI-HZPDHXFCSA-N 1 1 290.451 3.356 20 10 CGCDMO Oc1ccc2c(c1CNc1[nH+]cnc3[nH]ccc31)CCCC2 ZINC000742419624 572579451 /nfs/dbraw/zinc/57/94/51/572579451.db2.gz KIEFUQYGBMNMBW-UHFFFAOYSA-N 1 1 294.358 3.154 20 10 CGCDMO CC(C)C[N@@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000744152029 572714776 /nfs/dbraw/zinc/71/47/76/572714776.db2.gz WKYJCUHZUMFIKI-UHFFFAOYSA-N 1 1 265.397 3.483 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)[C@H]1C ZINC000245689742 618166159 /nfs/dbraw/zinc/16/61/59/618166159.db2.gz AQBPSBYJGNQYFP-ZJUUUORDSA-N 1 1 284.197 3.385 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)[C@H]1C ZINC000245689742 618166153 /nfs/dbraw/zinc/16/61/53/618166153.db2.gz AQBPSBYJGNQYFP-ZJUUUORDSA-N 1 1 284.197 3.385 20 10 CGCDMO CCC[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000891624479 618242678 /nfs/dbraw/zinc/24/26/78/618242678.db2.gz BNDIPEQLOIBAHZ-LLVKDONJSA-N 1 1 267.369 3.030 20 10 CGCDMO C[C@@H]([NH2+]CCN(C)c1ccccc1)c1ccc(F)cc1O ZINC000184952039 625284723 /nfs/dbraw/zinc/28/47/23/625284723.db2.gz VUVWHVOXHYQMFT-CYBMUJFWSA-N 1 1 288.366 3.318 20 10 CGCDMO C[C@@H]([NH2+]CCCOCC(F)(F)F)c1ccc(F)cc1O ZINC000184992754 625289331 /nfs/dbraw/zinc/28/93/31/625289331.db2.gz MAHCPNBYSTUZFQ-SECBINFHSA-N 1 1 295.276 3.151 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000179557675 618795311 /nfs/dbraw/zinc/79/53/11/618795311.db2.gz LQMKDWCAUQMIIO-INIZCTEOSA-N 1 1 267.372 3.457 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)[C@@H](C)C1 ZINC000310601834 618813475 /nfs/dbraw/zinc/81/34/75/618813475.db2.gz BPYCOEZNGJWADE-GXFFZTMASA-N 1 1 269.772 3.045 20 10 CGCDMO COCCC[N@@H+](C)Cc1c(O)ccc2ccc(OC)cc21 ZINC000066371201 618847484 /nfs/dbraw/zinc/84/74/84/618847484.db2.gz SPUVHZSAOUAMNI-UHFFFAOYSA-N 1 1 289.375 3.022 20 10 CGCDMO C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1cc(F)ccc1O ZINC000840889106 618907710 /nfs/dbraw/zinc/90/77/10/618907710.db2.gz BQTOTTBZQGGOBR-MRVPVSSYSA-N 1 1 293.367 3.111 20 10 CGCDMO CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H](C)C(C)C ZINC000092590296 618995069 /nfs/dbraw/zinc/99/50/69/618995069.db2.gz JGZLUYUARZEIOP-MRXNPFEDSA-N 1 1 290.451 3.390 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH2+]CC2(C)CC2)c1 ZINC000309931795 619039192 /nfs/dbraw/zinc/03/91/92/619039192.db2.gz YHGRHHNPQOFDNY-UHFFFAOYSA-N 1 1 284.197 3.353 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH2+]CCCCF)c1 ZINC000309928090 619061463 /nfs/dbraw/zinc/06/14/63/619061463.db2.gz WIRASWMTYLGTGR-UHFFFAOYSA-N 1 1 290.176 3.302 20 10 CGCDMO CCN(C)c1ccc([C@H](C)NCCC[NH+]2CCCC2)cc1 ZINC000178412355 619176476 /nfs/dbraw/zinc/17/64/76/619176476.db2.gz BPKCWDFQQXRDTN-INIZCTEOSA-N 1 1 289.467 3.279 20 10 CGCDMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894448088 619540864 /nfs/dbraw/zinc/54/08/64/619540864.db2.gz BDMHERWYWONCEI-JTQLQIEISA-N 1 1 278.302 3.258 20 10 CGCDMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000894448088 619540872 /nfs/dbraw/zinc/54/08/72/619540872.db2.gz BDMHERWYWONCEI-JTQLQIEISA-N 1 1 278.302 3.258 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCCCC[C@@H]2CCO)cc1C ZINC000793607900 619732973 /nfs/dbraw/zinc/73/29/73/619732973.db2.gz FPHUKZBRSMVRMJ-MRXNPFEDSA-N 1 1 277.408 3.136 20 10 CGCDMO CO[C@H]1CC[C@H](C)[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000895926460 619908707 /nfs/dbraw/zinc/90/87/07/619908707.db2.gz FSEJDYQEIXGWCG-ZFWWWQNUSA-N 1 1 263.381 3.008 20 10 CGCDMO C[C@H](CCc1ccco1)[NH2+]Cc1c(O)cccc1F ZINC000896637668 620041551 /nfs/dbraw/zinc/04/15/51/620041551.db2.gz PYAVDCDTVIHVHT-LLVKDONJSA-N 1 1 263.312 3.235 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)c(O)c1 ZINC000897271967 620176480 /nfs/dbraw/zinc/17/64/80/620176480.db2.gz WCQHQCZIMIFDEK-MRXNPFEDSA-N 1 1 289.419 3.339 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000898516243 620595168 /nfs/dbraw/zinc/59/51/68/620595168.db2.gz ORSVBLZAYWFRDF-CVEARBPZSA-N 1 1 289.419 3.339 20 10 CGCDMO C[C@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(N(C)C)cc1 ZINC000902441157 621320968 /nfs/dbraw/zinc/32/09/68/621320968.db2.gz CIIVKCGYURNLMF-MJXNMMHHSA-N 1 1 295.430 3.028 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)c1O ZINC000902649680 621393064 /nfs/dbraw/zinc/39/30/64/621393064.db2.gz COJJXQGOSJJUHV-JSGCOSHPSA-N 1 1 261.365 3.084 20 10 CGCDMO CC[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc(F)cc1O ZINC000903261456 621647972 /nfs/dbraw/zinc/64/79/72/621647972.db2.gz WSUSRKKJSZVJFP-FMKPAKJESA-N 1 1 279.355 3.140 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCN1C)c1cc(Cl)c(Cl)cc1O ZINC000903316769 621687415 /nfs/dbraw/zinc/68/74/15/621687415.db2.gz HKUGTNOTMIRPFQ-IUCAKERBSA-N 1 1 289.206 3.054 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H](c3ccn(C)n3)C2)c1 ZINC000905719602 622098309 /nfs/dbraw/zinc/09/83/09/622098309.db2.gz SPAJUHKBDNVVRJ-HNNXBMFYSA-N 1 1 299.418 3.122 20 10 CGCDMO C[C@H]1OCC[N@@H+](Cc2c(O)ccc3ccccc32)[C@H]1C ZINC000164099739 622816835 /nfs/dbraw/zinc/81/68/35/622816835.db2.gz NTPZZYPGMBXWRL-QWHCGFSZSA-N 1 1 271.360 3.155 20 10 CGCDMO CC[N@H+](Cc1cc(C)cc(C)c1O)C[C@H]1CCCO1 ZINC000164200579 622820759 /nfs/dbraw/zinc/82/07/59/622820759.db2.gz OLSCNDJJPATIHB-OAHLLOKOSA-N 1 1 263.381 3.010 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCNC[C@H]2c2ccccc2)cc1C ZINC000841100561 622877797 /nfs/dbraw/zinc/87/77/97/622877797.db2.gz HYTDEKHJSNOXRU-SFHVURJKSA-N 1 1 296.414 3.156 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCNC[C@H]2c2ccccc2)cc1C ZINC000841100561 622877799 /nfs/dbraw/zinc/87/77/99/622877799.db2.gz HYTDEKHJSNOXRU-SFHVURJKSA-N 1 1 296.414 3.156 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCCSCC1 ZINC000060842246 623074991 /nfs/dbraw/zinc/07/49/91/623074991.db2.gz QXVJPEIUXJIFDL-UHFFFAOYSA-N 1 1 273.401 3.484 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCCO1 ZINC000172495184 623252184 /nfs/dbraw/zinc/25/21/84/623252184.db2.gz QBKUANLMJACHGM-LBPRGKRZSA-N 1 1 293.407 3.006 20 10 CGCDMO Cc1cnc(C[NH2+]Cc2c(O)cccc2Cl)s1 ZINC000230686851 623264864 /nfs/dbraw/zinc/26/48/64/623264864.db2.gz JRESBYIQJMDQJM-UHFFFAOYSA-N 1 1 268.769 3.100 20 10 CGCDMO Cc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2O)n1 ZINC000062748432 623268455 /nfs/dbraw/zinc/26/84/55/623268455.db2.gz PBNNUDWUYDSLFC-LLVKDONJSA-N 1 1 260.312 3.086 20 10 CGCDMO C[N@@H+](CCOc1ccccc1)Cc1cc2c(cc1O)CCC2 ZINC000915805404 624031695 /nfs/dbraw/zinc/03/16/95/624031695.db2.gz YKPBFUIEOGPOTN-UHFFFAOYSA-N 1 1 297.398 3.392 20 10 CGCDMO Cc1cccc(C[N@@H+](C)Cc2cccc(C#N)c2)c1O ZINC000179681952 624675949 /nfs/dbraw/zinc/67/59/49/624675949.db2.gz VGBYUMNWXDLATD-UHFFFAOYSA-N 1 1 266.344 3.204 20 10 CGCDMO Cc1cccc(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)c1O ZINC000180192554 624724926 /nfs/dbraw/zinc/72/49/26/624724926.db2.gz LFFCGKCXNOIMJJ-CQSZACIVSA-N 1 1 285.387 3.469 20 10 CGCDMO Cc1cnc(C[NH2+]Cc2ccc3c(c2)CCCO3)s1 ZINC000921789432 625875074 /nfs/dbraw/zinc/87/50/74/625875074.db2.gz WDFPCZIPAFZHCM-UHFFFAOYSA-N 1 1 274.389 3.066 20 10 CGCDMO c1cnc([C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C2CC2)nc1 ZINC000922576496 626014322 /nfs/dbraw/zinc/01/43/22/626014322.db2.gz BMWRPGGMCYXMRT-KRWDZBQOSA-N 1 1 295.386 3.043 20 10 CGCDMO C[N@@H+](CCSc1nccs1)Cc1ccccc1 ZINC000788099090 626205774 /nfs/dbraw/zinc/20/57/74/626205774.db2.gz HXIUYTWGPLRAMG-UHFFFAOYSA-N 1 1 264.419 3.367 20 10 CGCDMO Cc1cc(C)c(O)c(CN2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC000754720999 626584630 /nfs/dbraw/zinc/58/46/30/626584630.db2.gz YZBBINOSWCUOPD-UHFFFAOYSA-N 1 1 290.451 3.315 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCCN(C(C)(C)C)CC2)c1 ZINC000754720999 626584632 /nfs/dbraw/zinc/58/46/32/626584632.db2.gz YZBBINOSWCUOPD-UHFFFAOYSA-N 1 1 290.451 3.315 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCCN(C(C)(C)C)CC2)c1 ZINC000754720999 626584635 /nfs/dbraw/zinc/58/46/35/626584635.db2.gz YZBBINOSWCUOPD-UHFFFAOYSA-N 1 1 290.451 3.315 20 10 CGCDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc(C)cc(C)c1O ZINC000754739748 626585918 /nfs/dbraw/zinc/58/59/18/626585918.db2.gz NWTQREKVBNYTEC-KRWDZBQOSA-N 1 1 299.418 3.388 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C)c1 ZINC000756342182 626693734 /nfs/dbraw/zinc/69/37/34/626693734.db2.gz OUFNZBRTVOGPHX-TYNCELHUSA-N 1 1 291.391 3.408 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CCCCC2)c1 ZINC000756354415 626695070 /nfs/dbraw/zinc/69/50/70/626695070.db2.gz BCZRFNBMHKWYCT-NSHDSACASA-N 1 1 277.364 3.162 20 10 CGCDMO C[C@H]1C[C@@H]([NH2+]Cc2cscn2)c2c1c(F)ccc2O ZINC000756511700 626711297 /nfs/dbraw/zinc/71/12/97/626711297.db2.gz ZXWZIFUTDWPXJB-GZMMTYOYSA-N 1 1 278.352 3.326 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCC2(C)C)c1 ZINC000756642652 626724158 /nfs/dbraw/zinc/72/41/58/626724158.db2.gz PNZJVNKMVHTAQP-ABAIWWIYSA-N 1 1 291.391 3.408 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2(C)CCCC2)c1 ZINC000756709614 626727299 /nfs/dbraw/zinc/72/72/99/626727299.db2.gz XGPMWLPIFGFBDP-LBPRGKRZSA-N 1 1 291.391 3.410 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCC2CC2)c1 ZINC000756734639 626728922 /nfs/dbraw/zinc/72/89/22/626728922.db2.gz ZFJONXSCGDLYGM-NSHDSACASA-N 1 1 277.364 3.020 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)CC(C)C)c1 ZINC000756766723 626730065 /nfs/dbraw/zinc/73/00/65/626730065.db2.gz BPFHAPFLYHYVQN-VXGBXAGGSA-N 1 1 279.380 3.264 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCC(C)(C)C2)c1 ZINC000756778920 626731261 /nfs/dbraw/zinc/73/12/61/626731261.db2.gz GRAKZABBUSZUKJ-AAEUAGOBSA-N 1 1 291.391 3.408 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2c[nH]nc2C)cc1 ZINC000768211795 627468994 /nfs/dbraw/zinc/46/89/94/627468994.db2.gz DMRQWLDUVRAOAQ-UHFFFAOYSA-N 1 1 286.423 3.196 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)C2CCCC2)cc1F ZINC000768214443 627469018 /nfs/dbraw/zinc/46/90/18/627469018.db2.gz LUDVOXBGWQHUIL-UHFFFAOYSA-N 1 1 250.361 3.266 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCc3sccc3C2)c(O)c1 ZINC000768227632 627469259 /nfs/dbraw/zinc/46/92/59/627469259.db2.gz STAUHTOKAXLXKV-UHFFFAOYSA-N 1 1 289.400 3.411 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000768230182 627470051 /nfs/dbraw/zinc/47/00/51/627470051.db2.gz RIFDRIPHIHUSIE-AWEZNQCLSA-N 1 1 283.371 3.280 20 10 CGCDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1cc(OC)c(C)cc1O ZINC000768466426 627481047 /nfs/dbraw/zinc/48/10/47/627481047.db2.gz QGUBITNGZUCIDG-FZMZJTMJSA-N 1 1 263.381 3.330 20 10 CGCDMO COCC[N@@H+](Cc1cc(C)ccc1O)C1CCCC1 ZINC000768578628 627487345 /nfs/dbraw/zinc/48/73/45/627487345.db2.gz AVNWVVBBXFKMTD-UHFFFAOYSA-N 1 1 263.381 3.092 20 10 CGCDMO C[N@@H+](Cc1ccoc1)Cc1cc(Br)ccc1O ZINC000769003296 627515396 /nfs/dbraw/zinc/51/53/96/627515396.db2.gz FIFIWSNDHJKBNX-UHFFFAOYSA-N 1 1 296.164 3.380 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H]1C1CC1 ZINC000769330938 627542606 /nfs/dbraw/zinc/54/26/06/627542606.db2.gz SCXMHNSAHQPLJH-ZDUSSCGKSA-N 1 1 251.757 3.420 20 10 CGCDMO OCCC[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000769404778 627549288 /nfs/dbraw/zinc/54/92/88/627549288.db2.gz POTODYFHZVMEAD-UHFFFAOYSA-N 1 1 297.398 3.406 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)cc1 ZINC000769421592 627551019 /nfs/dbraw/zinc/55/10/19/627551019.db2.gz AXXHNBGPTIACPV-GJZGRUSLSA-N 1 1 276.424 3.142 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC(C)(C)OCC2(C)C)cc1C ZINC000769446121 627552962 /nfs/dbraw/zinc/55/29/62/627552962.db2.gz NGNRUXGXHSCWOC-UHFFFAOYSA-N 1 1 277.408 3.398 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)c(O)c1 ZINC000769451574 627554293 /nfs/dbraw/zinc/55/42/93/627554293.db2.gz NFEFUAPHRYPKCV-CHWSQXEVSA-N 1 1 263.381 3.269 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)CCC2CCOCC2)c(O)c1 ZINC000769468544 627556717 /nfs/dbraw/zinc/55/67/17/627556717.db2.gz KPUUIQMVEFWPSX-UHFFFAOYSA-N 1 1 293.407 3.039 20 10 CGCDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2ccccc2O)C1 ZINC000770510142 627623377 /nfs/dbraw/zinc/62/33/77/627623377.db2.gz YSWACJRUDDBRJA-HLLBOEOZSA-N 1 1 288.435 3.229 20 10 CGCDMO Cc1ncc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000771791274 627731889 /nfs/dbraw/zinc/73/18/89/627731889.db2.gz LASQWPWBZVTBBJ-UHFFFAOYSA-N 1 1 296.418 3.016 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000772598955 627805745 /nfs/dbraw/zinc/80/57/45/627805745.db2.gz JYUIXYWWGDBPHL-OKILXGFUSA-N 1 1 294.414 3.281 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000772598955 627805748 /nfs/dbraw/zinc/80/57/48/627805748.db2.gz JYUIXYWWGDBPHL-OKILXGFUSA-N 1 1 294.414 3.281 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1nccn1C ZINC000775379391 628087257 /nfs/dbraw/zinc/08/72/57/628087257.db2.gz CVXMKCSHGUUIDV-HNNXBMFYSA-N 1 1 298.434 3.261 20 10 CGCDMO Cc1cccc(C[N@@H+](C)Cc2cccc(O)c2)c1O ZINC000775632858 628117026 /nfs/dbraw/zinc/11/70/26/628117026.db2.gz BCQGMJUSHPXXEB-UHFFFAOYSA-N 1 1 257.333 3.038 20 10 CGCDMO C[C@@H](NCC[C@H]1CCCC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000775830180 628140243 /nfs/dbraw/zinc/14/02/43/628140243.db2.gz FGLKBKSHYXOOOA-CRAIPNDOSA-N 1 1 289.467 3.278 20 10 CGCDMO C[C@@H](NCC[C@H]1CCCC[N@H+]1C)c1ccc(N(C)C)cc1 ZINC000775830180 628140244 /nfs/dbraw/zinc/14/02/44/628140244.db2.gz FGLKBKSHYXOOOA-CRAIPNDOSA-N 1 1 289.467 3.278 20 10 CGCDMO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(N(C)C)cc1 ZINC000775830180 628140246 /nfs/dbraw/zinc/14/02/46/628140246.db2.gz FGLKBKSHYXOOOA-CRAIPNDOSA-N 1 1 289.467 3.278 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)c1O ZINC000779152999 628391232 /nfs/dbraw/zinc/39/12/32/628391232.db2.gz IZRGBYPDZUBUQH-IUODEOHRSA-N 1 1 297.826 3.337 20 10 CGCDMO CO[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)CC[C@@H]1C ZINC000783969070 628761023 /nfs/dbraw/zinc/76/10/23/628761023.db2.gz RVHUGVLIFCMBBJ-SCLBCKFNSA-N 1 1 289.419 3.128 20 10 CGCDMO Cc1ccc(O)c(CNc2[nH]c3ccc(F)cc3[nH+]2)c1 ZINC000784322880 628805698 /nfs/dbraw/zinc/80/56/98/628805698.db2.gz MVOISPJUULKFJR-UHFFFAOYSA-N 1 1 271.295 3.328 20 10 CGCDMO COc1ccc2c(c1)CC[N@H+](Cc1cccc(C)c1O)CC2 ZINC000784680299 628829399 /nfs/dbraw/zinc/82/93/99/628829399.db2.gz QWDAOYMDAANAHA-UHFFFAOYSA-N 1 1 297.398 3.310 20 10 CGCDMO Cc1cccc(C[N@H+]2CCSC(C)(C)CC2)c1O ZINC000789763812 629166593 /nfs/dbraw/zinc/16/65/93/629166593.db2.gz QCAIJOKAGYIYGY-UHFFFAOYSA-N 1 1 265.422 3.418 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)c1ccc(F)cc1O ZINC000790499702 629213933 /nfs/dbraw/zinc/21/39/33/629213933.db2.gz ZAXZQQJDDRQJSB-MLGOLLRUSA-N 1 1 294.414 3.302 20 10 CGCDMO Cc1cc(O)c(C[NH2+]CCc2ccc3cn[nH]c3c2)cc1C ZINC000790619295 629221283 /nfs/dbraw/zinc/22/12/83/629221283.db2.gz PPWZHOZPJQJTQC-UHFFFAOYSA-N 1 1 295.386 3.218 20 10 CGCDMO C[N@@H+](Cc1c(O)cccc1Br)C1CCC1 ZINC000862246414 629329969 /nfs/dbraw/zinc/32/99/69/629329969.db2.gz OCUAJJINPFJIPW-UHFFFAOYSA-N 1 1 270.170 3.139 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH+]1C2CCC1CC2 ZINC000792157479 629341097 /nfs/dbraw/zinc/34/10/97/629341097.db2.gz XSIYSVVYNKDOJJ-UHFFFAOYSA-N 1 1 255.720 3.312 20 10 CGCDMO C[N@@H+](Cc1c(O)ccc(Cl)c1F)C[C@H]1CCCCO1 ZINC000792166894 629343931 /nfs/dbraw/zinc/34/39/31/629343931.db2.gz ILURTYOTJXEMIO-SNVBAGLBSA-N 1 1 287.762 3.186 20 10 CGCDMO C[N@H+](Cc1c(O)ccc(Cl)c1F)C[C@H]1CCCCO1 ZINC000792166894 629343936 /nfs/dbraw/zinc/34/39/36/629343936.db2.gz ILURTYOTJXEMIO-SNVBAGLBSA-N 1 1 287.762 3.186 20 10 CGCDMO COCC[N@@H+](Cc1ccccc1O)[C@@H]1CC[C@H](C)C1 ZINC000792192480 629346787 /nfs/dbraw/zinc/34/67/87/629346787.db2.gz KZJGFQWIOWRBLE-DZGCQCFKSA-N 1 1 263.381 3.029 20 10 CGCDMO Cc1cc(Br)cc(C[N@@H+]2[C@H](C)C[C@@H]2C)c1O ZINC000793221646 629427178 /nfs/dbraw/zinc/42/71/78/629427178.db2.gz YKGDSXRWGVLHDX-AOOOYVTPSA-N 1 1 284.197 3.446 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)Cc2cnccc2C)c1O ZINC000793339474 629445087 /nfs/dbraw/zinc/44/50/87/629445087.db2.gz LJELRUXLOCHZSY-UHFFFAOYSA-N 1 1 286.375 3.126 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@@H]3CCC[C@@H]31)CCCC2 ZINC000863304716 629527984 /nfs/dbraw/zinc/52/79/84/629527984.db2.gz MGLFUZXWIUFXTA-FUHWJXTLSA-N 1 1 287.403 3.024 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCCC3(CC3)CC2)c1O ZINC000863330654 629535101 /nfs/dbraw/zinc/53/51/01/629535101.db2.gz QFIAWFSZUHHDBZ-UHFFFAOYSA-N 1 1 275.392 3.475 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)C2)c1 ZINC000794840289 629586160 /nfs/dbraw/zinc/58/61/60/629586160.db2.gz IBGVOZRTYVDDTE-FRRDWIJNSA-N 1 1 291.391 3.266 20 10 CGCDMO CC[C@H]([NH2+]CCCCn1ccnc1)c1ccc(F)cc1O ZINC000796701704 629816683 /nfs/dbraw/zinc/81/66/83/629816683.db2.gz ICFGXDTZPZWOKH-HNNXBMFYSA-N 1 1 291.370 3.249 20 10 CGCDMO CCc1cc(C[NH2+][C@H](CC)c2ccc(F)cc2O)on1 ZINC000796781083 629832709 /nfs/dbraw/zinc/83/27/09/629832709.db2.gz UZFIDYDOKCZSAO-CQSZACIVSA-N 1 1 278.327 3.323 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccccc2O)cc1F ZINC000120045790 629834430 /nfs/dbraw/zinc/83/44/30/629834430.db2.gz YAHMGWIIHBLOKF-UHFFFAOYSA-N 1 1 288.366 3.229 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)C[C@@H]1CCOC1)c1ccc(F)cc1O ZINC000796796752 629835899 /nfs/dbraw/zinc/83/58/99/629835899.db2.gz RBSGONUZSZFWHO-XUJVJEKNSA-N 1 1 281.371 3.387 20 10 CGCDMO CC[C@H]([NH2+]Cc1cncc(C)c1)c1ccc(F)cc1O ZINC000796846829 629847292 /nfs/dbraw/zinc/84/72/92/629847292.db2.gz QWIZTEJKLSPCNV-HNNXBMFYSA-N 1 1 274.339 3.476 20 10 CGCDMO CC[C@@H]([NH2+]CCOC(C)(C)C)c1ccc(F)cc1O ZINC000796872763 629852697 /nfs/dbraw/zinc/85/26/97/629852697.db2.gz LEHRQWJEAQMXGY-CYBMUJFWSA-N 1 1 269.360 3.387 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)[C@H]1CCCOC1)c1ccc(F)cc1O ZINC000796931208 629860857 /nfs/dbraw/zinc/86/08/57/629860857.db2.gz ODDZVTGJFIAXLO-XUJVJEKNSA-N 1 1 281.371 3.387 20 10 CGCDMO CC[C@@H]([NH2+]CC1(CO)CCCC1)c1ccc(F)cc1O ZINC000796945132 629863183 /nfs/dbraw/zinc/86/31/83/629863183.db2.gz MIXAJBXQXMMFER-CQSZACIVSA-N 1 1 281.371 3.125 20 10 CGCDMO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1cc(Cl)cc(C)c1O ZINC000798954965 630128492 /nfs/dbraw/zinc/12/84/92/630128492.db2.gz IJYNHIZEVGBEGI-LLVKDONJSA-N 1 1 299.798 3.128 20 10 CGCDMO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1cc(Cl)cc(C)c1O ZINC000798954965 630128494 /nfs/dbraw/zinc/12/84/94/630128494.db2.gz IJYNHIZEVGBEGI-LLVKDONJSA-N 1 1 299.798 3.128 20 10 CGCDMO COC[C@@H]1CC[N@H+]1Cc1cc(C)cc(C(C)(C)C)c1O ZINC000840083757 630583349 /nfs/dbraw/zinc/58/33/49/630583349.db2.gz RKYXOIFRIPEMEZ-AWEZNQCLSA-N 1 1 277.408 3.219 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C[C@@H]1C ZINC000840124113 630605465 /nfs/dbraw/zinc/60/54/65/630605465.db2.gz NTUCLIMZFBNPCC-UGSOOPFHSA-N 1 1 289.419 3.128 20 10 CGCDMO CCCC[N@H+](C)C[C@@H](C)NCc1ccc(OC)c(C)c1 ZINC000810163545 630848713 /nfs/dbraw/zinc/84/87/13/630848713.db2.gz YIYXDTYMNOXGPR-OAHLLOKOSA-N 1 1 278.440 3.214 20 10 CGCDMO CCCC[N@@H+](C)C[C@@H](C)NCc1ccc(OC)c(C)c1 ZINC000810163545 630848718 /nfs/dbraw/zinc/84/87/18/630848718.db2.gz YIYXDTYMNOXGPR-OAHLLOKOSA-N 1 1 278.440 3.214 20 10 CGCDMO CCC[N@H+](CC)C[C@H](C)NCc1cccc(OCC)c1O ZINC000810180721 630851220 /nfs/dbraw/zinc/85/12/20/630851220.db2.gz JHYSXRNMYUFIPO-AWEZNQCLSA-N 1 1 294.439 3.001 20 10 CGCDMO CCC[N@@H+](CC)C[C@H](C)NCc1cccc(OCC)c1O ZINC000810180721 630851222 /nfs/dbraw/zinc/85/12/22/630851222.db2.gz JHYSXRNMYUFIPO-AWEZNQCLSA-N 1 1 294.439 3.001 20 10 CGCDMO CC[N@@H+](Cc1cc(OC)ccc1O)[C@@H]1CCOC(C)(C)C1 ZINC000811511598 631080307 /nfs/dbraw/zinc/08/03/07/631080307.db2.gz OMNFAIKXBJXFQD-CQSZACIVSA-N 1 1 293.407 3.180 20 10 CGCDMO CC1(C)C[N@@H+](Cc2c(O)cccc2Cl)[C@H]1[C@@H]1CCCO1 ZINC000811511059 631080919 /nfs/dbraw/zinc/08/09/19/631080919.db2.gz SZEXZVHMRFKNJU-GJZGRUSLSA-N 1 1 295.810 3.435 20 10 CGCDMO CCCC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000811521080 631083450 /nfs/dbraw/zinc/08/34/50/631083450.db2.gz ZANKMIYDXQTHTJ-NSHDSACASA-N 1 1 296.367 3.320 20 10 CGCDMO CCCC[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000811521080 631083458 /nfs/dbraw/zinc/08/34/58/631083458.db2.gz ZANKMIYDXQTHTJ-NSHDSACASA-N 1 1 296.367 3.320 20 10 CGCDMO Oc1ccc(CCNc2cc[nH+]c3ccsc32)cc1O ZINC000811811615 631122303 /nfs/dbraw/zinc/12/23/03/631122303.db2.gz YQKDDCKMNWGMCT-UHFFFAOYSA-N 1 1 286.356 3.362 20 10 CGCDMO CC[N@H+](Cc1ccc(N(C)C)c(C)c1)C[C@H]1CCCO1 ZINC000815029235 631704731 /nfs/dbraw/zinc/70/47/31/631704731.db2.gz OVECCQLCEIRDBJ-MRXNPFEDSA-N 1 1 276.424 3.062 20 10 CGCDMO Cc1cc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)ccc1N(C)C ZINC000815053756 631707522 /nfs/dbraw/zinc/70/75/22/631707522.db2.gz QTTCWWRSLXGPOU-GASCZTMLSA-N 1 1 258.409 3.149 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)ccc1N(C)C ZINC000815061479 631708601 /nfs/dbraw/zinc/70/86/01/631708601.db2.gz WGGOFJMIYWINJS-SJLPKXTDSA-N 1 1 288.435 3.062 20 10 CGCDMO Cc1cc(C[N@@H+](C)Cc2ccccc2O)ccc1N(C)C ZINC000815070624 631711189 /nfs/dbraw/zinc/71/11/89/631711189.db2.gz VVGRGWZUVWENTH-UHFFFAOYSA-N 1 1 284.403 3.399 20 10 CGCDMO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)ccc1N(C)C ZINC000815087976 631713584 /nfs/dbraw/zinc/71/35/84/631713584.db2.gz WVIGLMHCIWBZAR-IUODEOHRSA-N 1 1 264.388 3.241 20 10 CGCDMO Cc1cc(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)ccc1N(C)C ZINC000815087745 631713833 /nfs/dbraw/zinc/71/38/33/631713833.db2.gz NMSPNIAGZKVPMR-SJLPKXTDSA-N 1 1 290.451 3.044 20 10 CGCDMO Cc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)ccc1N(C)C ZINC000815099586 631716770 /nfs/dbraw/zinc/71/67/70/631716770.db2.gz LBJCEAVJMSODIK-ZNMIVQPWSA-N 1 1 276.424 3.059 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000815102914 631718018 /nfs/dbraw/zinc/71/80/18/631718018.db2.gz MLNREDMMBDPQQA-KRWDZBQOSA-N 1 1 290.451 3.390 20 10 CGCDMO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCCN(C)C2)c(O)c1 ZINC000815578418 631799355 /nfs/dbraw/zinc/79/93/55/631799355.db2.gz NVMGPCKXRAMTQJ-HUUCEWRRSA-N 1 1 276.424 3.001 20 10 CGCDMO C[C@H]([NH2+]CC(C)(C)CO)c1cccc(C(F)(F)F)c1O ZINC000815596730 631803247 /nfs/dbraw/zinc/80/32/47/631803247.db2.gz CNDMIUQDECQPPV-VIFPVBQESA-N 1 1 291.313 3.080 20 10 CGCDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1ccc2ccccc2c1O ZINC000816515426 632000817 /nfs/dbraw/zinc/00/08/17/632000817.db2.gz ZBNGPJNYMSYJMY-OAHLLOKOSA-N 1 1 299.370 3.073 20 10 CGCDMO CCC(CC)(CO)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816558685 632011268 /nfs/dbraw/zinc/01/12/68/632011268.db2.gz IXLPINDUQHLCRD-UHFFFAOYSA-N 1 1 289.778 3.073 20 10 CGCDMO CC(F)(F)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816643233 632030347 /nfs/dbraw/zinc/03/03/47/632030347.db2.gz YOACNNFBEVNGBT-UHFFFAOYSA-N 1 1 251.276 3.290 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCCO[C@@H](C(C)C)C2)c(O)c1 ZINC000816674958 632042318 /nfs/dbraw/zinc/04/23/18/632042318.db2.gz PGRGYEWUUHERSD-QGZVFWFLSA-N 1 1 293.407 3.038 20 10 CGCDMO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2O)CCO1 ZINC000817586010 632191891 /nfs/dbraw/zinc/19/18/91/632191891.db2.gz KVJJWQIRWZEOOZ-KGYLQXTDSA-N 1 1 267.344 3.140 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc2ccccc2c1[O-] ZINC000817946583 632243543 /nfs/dbraw/zinc/24/35/43/632243543.db2.gz ZWSXDKJARHGZKT-ZIAGYGMSSA-N 1 1 284.403 3.196 20 10 CGCDMO C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc2ccccc2c1[O-] ZINC000817955368 632250325 /nfs/dbraw/zinc/25/03/25/632250325.db2.gz WMGYGWFWGGIONI-ZIAGYGMSSA-N 1 1 284.403 3.196 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1cccc(Cl)c1[O-] ZINC000817959140 632255160 /nfs/dbraw/zinc/25/51/60/632255160.db2.gz PTGIKGJOUMINGN-BXUZGUMPSA-N 1 1 284.831 3.460 20 10 CGCDMO C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817961488 632257908 /nfs/dbraw/zinc/25/79/08/632257908.db2.gz ZUDNWFIPRMRCLY-CPCISQLKSA-N 1 1 289.206 3.087 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc2ccccc2c1[O-] ZINC000817968250 632261578 /nfs/dbraw/zinc/26/15/78/632261578.db2.gz IFJYATBBZBZQRS-UKRRQHHQSA-N 1 1 284.403 3.338 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc2ccccc2c1[O-] ZINC000817970257 632262988 /nfs/dbraw/zinc/26/29/88/632262988.db2.gz PVPCXBSWDQMPAM-NWANDNLSSA-N 1 1 284.403 3.466 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc2ccccc2c1[O-] ZINC000817976553 632267715 /nfs/dbraw/zinc/26/77/15/632267715.db2.gz NJCQPRCPHSOKJK-DYVFJYSZSA-N 1 1 296.414 3.338 20 10 CGCDMO CCCC[N@@H+](Cc1cc2n(n1)CCC2)Cc1ccccc1O ZINC000844323172 635869930 /nfs/dbraw/zinc/86/99/30/635869930.db2.gz MVDNYYNBHCAYJW-UHFFFAOYSA-N 1 1 299.418 3.337 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CC(C)(C)CC[C@H]1O)c1ccc(F)cc1O ZINC000866452425 633142290 /nfs/dbraw/zinc/14/22/90/633142290.db2.gz GLWXICFHBGIDFF-LERXQTSPSA-N 1 1 281.371 3.122 20 10 CGCDMO CS[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2O)C1 ZINC000866487716 633156851 /nfs/dbraw/zinc/15/68/51/633156851.db2.gz FZCFREBIVNRQHY-FBIMIBRVSA-N 1 1 255.358 3.076 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000824654417 633269810 /nfs/dbraw/zinc/26/98/10/633269810.db2.gz NWDZTCLBTHDAOE-LBPRGKRZSA-N 1 1 255.720 3.169 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@H]1C1CC1 ZINC000824654417 633269815 /nfs/dbraw/zinc/26/98/15/633269815.db2.gz NWDZTCLBTHDAOE-LBPRGKRZSA-N 1 1 255.720 3.169 20 10 CGCDMO Cc1cccc(C[N@H+]2CCSC[C@H]2C2CC2)c1O ZINC000824913945 633304639 /nfs/dbraw/zinc/30/46/39/633304639.db2.gz JQWFVKBRQYMUEP-AWEZNQCLSA-N 1 1 263.406 3.028 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCSC[C@H]2C2CC2)c(O)c1 ZINC000824914338 633304951 /nfs/dbraw/zinc/30/49/51/633304951.db2.gz PTKSCHKCAILSBX-HNNXBMFYSA-N 1 1 293.432 3.118 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC000824942430 633308920 /nfs/dbraw/zinc/30/89/20/633308920.db2.gz ZUKZZVCTXNSUHH-ROUUACIJSA-N 1 1 270.420 3.373 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2O)[C@H](C)C1 ZINC000825774564 633381440 /nfs/dbraw/zinc/38/14/40/633381440.db2.gz YLMSKEOZJAZVSZ-YPMHNXCESA-N 1 1 283.799 3.353 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](F)C2)cc1Cl ZINC000826142370 633407449 /nfs/dbraw/zinc/40/74/49/633407449.db2.gz AJBBGXVJGYUFRT-LLVKDONJSA-N 1 1 257.736 3.288 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](F)C2)cc1Cl ZINC000826142370 633407453 /nfs/dbraw/zinc/40/74/53/633407453.db2.gz AJBBGXVJGYUFRT-LLVKDONJSA-N 1 1 257.736 3.288 20 10 CGCDMO C[C@@]1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CC1(F)F ZINC000827251304 633475090 /nfs/dbraw/zinc/47/50/90/633475090.db2.gz GDBVOCKIOPYHFF-NSHDSACASA-N 1 1 279.689 3.320 20 10 CGCDMO C[C@]1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CC1(F)F ZINC000827251302 633475415 /nfs/dbraw/zinc/47/54/15/633475415.db2.gz GDBVOCKIOPYHFF-LLVKDONJSA-N 1 1 279.689 3.320 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](CCF)C2)cc1F ZINC000827272362 633477071 /nfs/dbraw/zinc/47/70/71/633477071.db2.gz ZVPWZIATJIISNA-CYBMUJFWSA-N 1 1 282.378 3.463 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000827494950 633495058 /nfs/dbraw/zinc/49/50/58/633495058.db2.gz QTJFLYWFTVFGKF-QGZVFWFLSA-N 1 1 299.370 3.339 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@@H](C3CCC3)C2)c1O ZINC000827627498 633504377 /nfs/dbraw/zinc/50/43/77/633504377.db2.gz UUQMVKJLZAEMEA-CQSZACIVSA-N 1 1 275.392 3.413 20 10 CGCDMO CC[N@@H+](Cc1ccc(N2CCCCC2)c(C)c1)[C@@H](C)CO ZINC000830034347 633820816 /nfs/dbraw/zinc/82/08/16/633820816.db2.gz PKNJBRSGXMQZQB-INIZCTEOSA-N 1 1 290.451 3.188 20 10 CGCDMO Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000872131832 634051978 /nfs/dbraw/zinc/05/19/78/634051978.db2.gz AHPXMJQKHBUEAW-SCZZXKLOSA-N 1 1 293.317 3.181 20 10 CGCDMO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1ccc(F)cc1O ZINC000834894946 634272424 /nfs/dbraw/zinc/27/24/24/634272424.db2.gz NEFDFPHMKSCKSZ-GBIKHYSHSA-N 1 1 275.327 3.084 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1ccc(F)cc1O ZINC000834894297 634272439 /nfs/dbraw/zinc/27/24/39/634272439.db2.gz KBQPACIWZVGDLZ-LEWSCRJBSA-N 1 1 289.354 3.475 20 10 CGCDMO CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000835029651 634325659 /nfs/dbraw/zinc/32/56/59/634325659.db2.gz YLPRQWNCHOBMKZ-SUQGKYDKSA-N 1 1 288.435 3.267 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+](CCO)C2CCCC2)cc1 ZINC000835026474 634326231 /nfs/dbraw/zinc/32/62/31/634326231.db2.gz XMRPUORBTIFQFQ-AATRIKPKSA-N 1 1 288.435 3.003 20 10 CGCDMO Cc1nc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)cs1 ZINC000835036860 634328516 /nfs/dbraw/zinc/32/85/16/634328516.db2.gz RLGAMPPCELCQIC-SNAWJCMRSA-N 1 1 287.432 3.321 20 10 CGCDMO CC[C@H]1C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CCCO1 ZINC000835051264 634336714 /nfs/dbraw/zinc/33/67/14/634336714.db2.gz IUSUZJPHXLHHNM-YEODSOHDSA-N 1 1 288.435 3.267 20 10 CGCDMO COC[C@@]1(C)CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835053960 634338197 /nfs/dbraw/zinc/33/81/97/634338197.db2.gz GFJKGJXWXULCMR-XFHJGTJQSA-N 1 1 288.435 3.124 20 10 CGCDMO CC[C@@H]1CCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876633699 634872777 /nfs/dbraw/zinc/87/27/77/634872777.db2.gz WKAYBCZJWNDEIG-MRXNPFEDSA-N 1 1 288.435 3.022 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000877139800 635000316 /nfs/dbraw/zinc/00/03/16/635000316.db2.gz AKZVPUONKNIBST-MRXNPFEDSA-N 1 1 275.392 3.092 20 10 CGCDMO Cc1ccncc1C[N@H+](C)Cc1c(C)cccc1O ZINC000877492526 635059660 /nfs/dbraw/zinc/05/96/60/635059660.db2.gz YIWQELYRGHJKSV-UHFFFAOYSA-N 1 1 256.349 3.036 20 10 CGCDMO Cc1cc(O)c(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000840881636 635072974 /nfs/dbraw/zinc/07/29/74/635072974.db2.gz PBOQHDHPKLGXIX-QWHCGFSZSA-N 1 1 294.826 3.070 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c(O)c1 ZINC000877529290 635073682 /nfs/dbraw/zinc/07/36/82/635073682.db2.gz YJJBGQDJHYYUOU-HZPDHXFCSA-N 1 1 289.419 3.339 20 10 CGCDMO Cc1ccc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c(O)c1 ZINC000877539942 635079964 /nfs/dbraw/zinc/07/99/64/635079964.db2.gz QSWIDXMQQOUKQJ-HZPDHXFCSA-N 1 1 275.392 3.090 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000840919468 635083306 /nfs/dbraw/zinc/08/33/06/635083306.db2.gz GTMLNJBELJOWEI-WMZOPIPTSA-N 1 1 288.435 3.062 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000840939762 635086638 /nfs/dbraw/zinc/08/66/38/635086638.db2.gz QDSGMNPEUCXHEA-JOQOYGCGSA-N 1 1 290.451 3.042 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000840939758 635087490 /nfs/dbraw/zinc/08/74/90/635087490.db2.gz QDSGMNPEUCXHEA-DHSIGJKJSA-N 1 1 290.451 3.042 20 10 CGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840940984 635088406 /nfs/dbraw/zinc/08/84/06/635088406.db2.gz LXHNKAMKOLCYAV-KRWDZBQOSA-N 1 1 276.424 3.062 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C)[C@@H](C)C1 ZINC000840942449 635088780 /nfs/dbraw/zinc/08/87/80/635088780.db2.gz ODDVUBOSLLOQLD-YOEHRIQHSA-N 1 1 276.424 3.060 20 10 CGCDMO CC[N@H+](Cc1c(O)cc(C)cc1Cl)C[C@@H](C)OC ZINC000840948563 635089281 /nfs/dbraw/zinc/08/92/81/635089281.db2.gz VTYKEBZNENAIAG-LLVKDONJSA-N 1 1 271.788 3.211 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c(O)c1 ZINC000877615663 635113657 /nfs/dbraw/zinc/11/36/57/635113657.db2.gz WQCQCMTYEWVZMM-CQSZACIVSA-N 1 1 267.319 3.322 20 10 CGCDMO CN(C)c1ccc(F)cc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703216 635155867 /nfs/dbraw/zinc/15/58/67/635155867.db2.gz WKEREXNFQUDEIB-UHFFFAOYSA-N 1 1 286.350 3.113 20 10 CGCDMO CN(C)c1ccc(F)cc1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877703216 635155873 /nfs/dbraw/zinc/15/58/73/635155873.db2.gz WKEREXNFQUDEIB-UHFFFAOYSA-N 1 1 286.350 3.113 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccc(Cl)cc1O ZINC000841748182 635224267 /nfs/dbraw/zinc/22/42/67/635224267.db2.gz IHFRHMQYLBBWDF-NOZJJQNGSA-N 1 1 291.782 3.497 20 10 CGCDMO CO[C@@H](C)CC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841747922 635224320 /nfs/dbraw/zinc/22/43/20/635224320.db2.gz UWWKUTZTHZLUJE-VHSXEESVSA-N 1 1 257.761 3.121 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccc(Cl)cc1O ZINC000841751211 635225191 /nfs/dbraw/zinc/22/51/91/635225191.db2.gz FXPNHQJVHSGTEY-NRUUGDAUSA-N 1 1 269.772 3.121 20 10 CGCDMO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccc(Cl)cc1O ZINC000841756395 635230239 /nfs/dbraw/zinc/23/02/39/635230239.db2.gz XPHAFQKCGKKNJJ-DCAQKATOSA-N 1 1 269.772 3.121 20 10 CGCDMO C[C@@H]([NH2+][C@H]1COCc2ccccc21)c1ccc(F)cc1O ZINC000841758422 635232129 /nfs/dbraw/zinc/23/21/29/635232129.db2.gz AUNIRQQBCSGTSA-BZNIZROVSA-N 1 1 287.334 3.453 20 10 CGCDMO CC[N@@H+](CCSC)Cc1c(O)ccc2ccncc21 ZINC000842644821 635424690 /nfs/dbraw/zinc/42/46/90/635424690.db2.gz RSNMZELFMIEISK-UHFFFAOYSA-N 1 1 276.405 3.125 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)c1 ZINC000842645681 635425522 /nfs/dbraw/zinc/42/55/22/635425522.db2.gz YJOMTLOBFNQQQI-AWEZNQCLSA-N 1 1 275.392 3.152 20 10 CGCDMO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000842755615 635461944 /nfs/dbraw/zinc/46/19/44/635461944.db2.gz HNFOKYHBSKPTHS-UWVGGRQHSA-N 1 1 289.778 3.071 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)ccc1N(C)C ZINC000878876473 635648674 /nfs/dbraw/zinc/64/86/74/635648674.db2.gz NPZKGHHCJAXKFH-QGZVFWFLSA-N 1 1 284.407 3.121 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2C[C@H](C)OCC23CCC3)cc1 ZINC000844420989 635895990 /nfs/dbraw/zinc/89/59/90/635895990.db2.gz FLYALFOPUDKVCP-HNNXBMFYSA-N 1 1 288.435 3.286 20 10 CGCDMO CC[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(Cl)ccc1[O-] ZINC000844921756 635983992 /nfs/dbraw/zinc/98/39/92/635983992.db2.gz STCOSJNCNGODCN-ZDUSSCGKSA-N 1 1 282.815 3.215 20 10 CGCDMO CCn1cc(C[N@@H+](Cc2cc(C)ccc2O)C(C)C)cn1 ZINC000846056689 636139740 /nfs/dbraw/zinc/13/97/40/636139740.db2.gz XHVLPCYXTXXQDU-UHFFFAOYSA-N 1 1 287.407 3.328 20 10 CGCDMO C[C@@H](COCC1CC1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000846071932 636141534 /nfs/dbraw/zinc/14/15/34/636141534.db2.gz CJTYJZGKAYWAFS-VIFPVBQESA-N 1 1 287.762 3.089 20 10 CGCDMO Oc1c(C[N@H+]2CCC[C@@H](F)C2)ccc2ccccc21 ZINC000846121310 636148208 /nfs/dbraw/zinc/14/82/08/636148208.db2.gz XSGMTOBSSBTPBG-CQSZACIVSA-N 1 1 259.324 3.479 20 10 CGCDMO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCC2(F)F)c1O ZINC000846172667 636153823 /nfs/dbraw/zinc/15/38/23/636153823.db2.gz OEQHPHXVNKAJPO-BXKDBHETSA-N 1 1 271.307 3.239 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@](C)(O)C2)cc1F ZINC000129468543 636266033 /nfs/dbraw/zinc/26/60/33/636266033.db2.gz LJHGLTRBEALARS-QGZVFWFLSA-N 1 1 294.414 3.019 20 10 CGCDMO CCc1nc(CC[NH2+]Cc2cc(F)cc(F)c2O)cs1 ZINC000882958461 636479872 /nfs/dbraw/zinc/47/98/72/636479872.db2.gz AZORZOZXOGYNTB-UHFFFAOYSA-N 1 1 298.358 3.022 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000130626437 636485758 /nfs/dbraw/zinc/48/57/58/636485758.db2.gz GUTDWLHFDUNIRA-MRXNPFEDSA-N 1 1 278.465 3.470 20 10 CGCDMO Cc1csc([C@@H](C)C[NH2+]Cc2cc(F)cc(F)c2O)n1 ZINC000883088205 636537108 /nfs/dbraw/zinc/53/71/08/636537108.db2.gz WWOXDOUAXAQPTL-QMMMGPOBSA-N 1 1 298.358 3.329 20 10 CGCDMO CC(C)[C@@H]1C[C@H](C[NH2+]Cc2cc(F)cc(F)c2O)CCO1 ZINC000883134800 636550623 /nfs/dbraw/zinc/55/06/23/636550623.db2.gz JRERWDQHJLVYDZ-ABAIWWIYSA-N 1 1 299.361 3.211 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)c1ccc(F)cc1O ZINC000848569242 636611734 /nfs/dbraw/zinc/61/17/34/636611734.db2.gz YBFKZICRLXPMPG-APHBMKBZSA-N 1 1 292.398 3.199 20 10 CGCDMO CCc1cccc(C[N@@H+](C)[C@@H]2CCN(CC)[C@H](C)C2)c1O ZINC000848888155 636676423 /nfs/dbraw/zinc/67/64/23/636676423.db2.gz NOHDNERIJXNLDD-RHSMWYFYSA-N 1 1 290.451 3.259 20 10 CGCDMO CCc1cccc(C[N@H+](C)[C@@H]2CCN(CC)[C@H](C)C2)c1O ZINC000848888155 636676427 /nfs/dbraw/zinc/67/64/27/636676427.db2.gz NOHDNERIJXNLDD-RHSMWYFYSA-N 1 1 290.451 3.259 20 10 CGCDMO CCc1cccc(C[NH2+]C2CCN(CC(C)C)CC2)c1O ZINC000848893039 636678921 /nfs/dbraw/zinc/67/89/21/636678921.db2.gz NVXMFSPKRXLLDQ-UHFFFAOYSA-N 1 1 290.451 3.165 20 10 CGCDMO CCc1cccc(C[NH2+]C2CCN(C3CCC3)CC2)c1O ZINC000848896105 636679901 /nfs/dbraw/zinc/67/99/01/636679901.db2.gz ZZIQWFKJVILLDL-UHFFFAOYSA-N 1 1 288.435 3.061 20 10 CGCDMO CCc1cccc(C[N@@H+](CCO)Cc2ccc(C)cc2)c1O ZINC000848901826 636682919 /nfs/dbraw/zinc/68/29/19/636682919.db2.gz DJRNPOGAYVVZFT-UHFFFAOYSA-N 1 1 299.414 3.258 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@H](COC)CC2)c1O ZINC000848915739 636689773 /nfs/dbraw/zinc/68/97/73/636689773.db2.gz ZLKYGHBDNMDENC-AWEZNQCLSA-N 1 1 277.408 3.203 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)c1 ZINC000132739868 636833864 /nfs/dbraw/zinc/83/38/64/636833864.db2.gz DUIWVBZFTIWKBB-TZMCWYRMSA-N 1 1 263.381 3.411 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@@H+]1CCOc2ccccc2C1 ZINC000134092524 636998026 /nfs/dbraw/zinc/99/80/26/636998026.db2.gz GNTGFLAVKSNDNQ-UHFFFAOYSA-N 1 1 289.762 3.440 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCOc2ccccc2C1 ZINC000134092524 636998029 /nfs/dbraw/zinc/99/80/29/636998029.db2.gz GNTGFLAVKSNDNQ-UHFFFAOYSA-N 1 1 289.762 3.440 20 10 CGCDMO Cc1cc(O)c(CN[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(Cl)c1 ZINC000850351226 637023371 /nfs/dbraw/zinc/02/33/71/637023371.db2.gz LMVRYYBICUGIKK-GFCCVEGCSA-N 1 1 296.842 3.316 20 10 CGCDMO Cc1cc(O)c(CN[C@@H]2CC[N@H+](C(C)(C)C)C2)c(Cl)c1 ZINC000850351226 637023378 /nfs/dbraw/zinc/02/33/78/637023378.db2.gz LMVRYYBICUGIKK-GFCCVEGCSA-N 1 1 296.842 3.316 20 10 CGCDMO C[C@]1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CC1(F)F ZINC000850379093 637039187 /nfs/dbraw/zinc/03/91/87/637039187.db2.gz DXPMLPMVDIPVAA-LLVKDONJSA-N 1 1 279.689 3.320 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1C ZINC000884483080 637041162 /nfs/dbraw/zinc/04/11/62/637041162.db2.gz NCYFWBMKODJSRO-YOEHRIQHSA-N 1 1 275.392 3.010 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1ccc(N(C)C)cc1 ZINC000850499108 637092218 /nfs/dbraw/zinc/09/22/18/637092218.db2.gz JNTOUDJHDXKWGV-UHOFOFEASA-N 1 1 299.422 3.091 20 10 CGCDMO C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cc(F)cc(F)c1O ZINC000850536539 637112321 /nfs/dbraw/zinc/11/23/21/637112321.db2.gz KZMVBLBPNFZSOP-JVXZTZIISA-N 1 1 277.261 3.366 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1ccc(F)cc1O ZINC000850552551 637119255 /nfs/dbraw/zinc/11/92/55/637119255.db2.gz NVRLWXRICPDCKO-PELKAZGASA-N 1 1 273.298 3.473 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)[C@H]1CC[C@H](OC)C1 ZINC000851793046 637505522 /nfs/dbraw/zinc/50/55/22/637505522.db2.gz VUIGTHLCOAMFET-GJZGRUSLSA-N 1 1 263.381 3.172 20 10 CGCDMO CC(C)COCCC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886493354 637541548 /nfs/dbraw/zinc/54/15/48/637541548.db2.gz GFSGTZVYDMENRQ-GFCCVEGCSA-N 1 1 269.360 3.245 20 10 CGCDMO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2c(O)cccc2F)cc1 ZINC000886509075 637544932 /nfs/dbraw/zinc/54/49/32/637544932.db2.gz ZPSBTPSXJDVTLO-WBMJQRKESA-N 1 1 289.350 3.224 20 10 CGCDMO CO[C@H](C[NH2+][C@H](C)c1c(O)cccc1F)C(C)(C)C ZINC000886534277 637559485 /nfs/dbraw/zinc/55/94/85/637559485.db2.gz FELACUKDKPMBGJ-ZWNOBZJWSA-N 1 1 269.360 3.243 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCCSC1)c1c(O)cccc1F ZINC000886537193 637561152 /nfs/dbraw/zinc/56/11/52/637561152.db2.gz VUMDJIJPOFKPPN-NXEZZACHSA-N 1 1 255.358 3.078 20 10 CGCDMO C[C@H]([NH2+]CCC(F)(F)F)c1c(O)cccc1F ZINC000886536201 637562662 /nfs/dbraw/zinc/56/26/62/637562662.db2.gz CPJAVTGPAMKNTM-ZETCQYMHSA-N 1 1 251.223 3.134 20 10 CGCDMO Cc1cccc([C@H](O)C[NH2+][C@H](C)c2c(O)cccc2F)c1 ZINC000886551075 637575927 /nfs/dbraw/zinc/57/59/27/637575927.db2.gz AWDWRDFWLOBTRH-MLGOLLRUSA-N 1 1 289.350 3.224 20 10 CGCDMO CC(C)OCCCC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886587711 637593585 /nfs/dbraw/zinc/59/35/85/637593585.db2.gz DDXJMXCAQKNCLX-GFCCVEGCSA-N 1 1 269.360 3.387 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1c(O)cccc1F ZINC000886594246 637596675 /nfs/dbraw/zinc/59/66/75/637596675.db2.gz ISUOQAWRMUVCRN-GHMZBOCLSA-N 1 1 267.344 3.140 20 10 CGCDMO CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)c2c(O)cccc2F)C1 ZINC000886623941 637614701 /nfs/dbraw/zinc/61/47/01/637614701.db2.gz UCUXSHOBUNDSMM-SDDRHHMPSA-N 1 1 267.344 3.138 20 10 CGCDMO CO[C@@](C)([C@H](C)[NH2+][C@H](C)c1c(O)cccc1F)C1CC1 ZINC000886625619 637615934 /nfs/dbraw/zinc/61/59/34/637615934.db2.gz WAUAGUGRDJCGSQ-GDLVEWKHSA-N 1 1 281.371 3.386 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1c(O)cccc1F ZINC000886638657 637622619 /nfs/dbraw/zinc/62/26/19/637622619.db2.gz ZCQDSOOZWGLBAM-LDYMZIIASA-N 1 1 273.298 3.473 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1c(O)cccc1F ZINC000886638560 637623349 /nfs/dbraw/zinc/62/33/49/637623349.db2.gz WZXSCVSAYKSIMB-GRYCIOLGSA-N 1 1 267.344 3.140 20 10 CGCDMO C[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1c(O)cccc1F ZINC000886639576 637624280 /nfs/dbraw/zinc/62/42/80/637624280.db2.gz GLIMDKYBZNYQQA-DTWKUNHWSA-N 1 1 259.271 3.227 20 10 CGCDMO C[C@H]([NH2+]CC[C@H](O)C1CCCC1)c1c(O)cccc1F ZINC000886650458 637629531 /nfs/dbraw/zinc/62/95/31/637629531.db2.gz XJUAPAHQZQNCOG-FZMZJTMJSA-N 1 1 281.371 3.123 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1c(O)cccc1F ZINC000886651684 637630689 /nfs/dbraw/zinc/63/06/89/637630689.db2.gz OSVHBZPWCNEHHT-NEPJUHHUSA-N 1 1 279.355 3.284 20 10 CGCDMO C[C@H]([NH2+]Cc1cc(C2CC2)no1)c1ccc(F)cc1O ZINC000886684501 637649746 /nfs/dbraw/zinc/64/97/46/637649746.db2.gz MPRMFGILZONHQA-VIFPVBQESA-N 1 1 276.311 3.248 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1ccc(F)cc1O ZINC000886701481 637662856 /nfs/dbraw/zinc/66/28/56/637662856.db2.gz QDRVCEAIDJYPJO-DGCLKSJQSA-N 1 1 279.355 3.141 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1cc2ccccc2[nH]c1=O ZINC000111234987 637804359 /nfs/dbraw/zinc/80/43/59/637804359.db2.gz FOUOSXBCBAHTEK-UHFFFAOYSA-N 1 1 294.354 3.278 20 10 CGCDMO C[N@H+](Cc1cc2c(cc1O)CCCC2)CC1=CCCOC1 ZINC000853561996 637866740 /nfs/dbraw/zinc/86/67/40/637866740.db2.gz BOICCTPBSLYDBS-UHFFFAOYSA-N 1 1 287.403 3.050 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H](CCF)C2)c1O ZINC000853564894 637867948 /nfs/dbraw/zinc/86/79/48/637867948.db2.gz WBBNZKZTHLTLOQ-CYBMUJFWSA-N 1 1 281.371 3.281 20 10 CGCDMO Oc1c(F)cccc1C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857065633 638448492 /nfs/dbraw/zinc/44/84/92/638448492.db2.gz RVNQUJNRTXIKKJ-SECBINFHSA-N 1 1 278.154 3.205 20 10 CGCDMO Cc1ncccc1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858273997 638670979 /nfs/dbraw/zinc/67/09/79/638670979.db2.gz KKQAHJHNNGHEAM-UHFFFAOYSA-N 1 1 291.345 3.024 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1[O-] ZINC000858490697 638740881 /nfs/dbraw/zinc/74/08/81/638740881.db2.gz LZCJEDZTJXUVKE-CZUORRHYSA-N 1 1 294.414 3.304 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1[O-] ZINC000858490695 638741124 /nfs/dbraw/zinc/74/11/24/638741124.db2.gz LZCJEDZTJXUVKE-BBRMVZONSA-N 1 1 294.414 3.304 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(F)cc1O ZINC000926937744 638827236 /nfs/dbraw/zinc/82/72/36/638827236.db2.gz YFBJOPKZAZYAKY-LMWOUKEDSA-N 1 1 291.366 3.163 20 10 CGCDMO CC(C)[C@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1cnn(C)c1 ZINC000927066971 638837316 /nfs/dbraw/zinc/83/73/16/638837316.db2.gz PLUDLPCVKUXTMK-ZBEGNZNMSA-N 1 1 291.370 3.313 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CC[C@H](C)[C@H](C)C2)c1O ZINC000159974359 640081416 /nfs/dbraw/zinc/08/14/16/640081416.db2.gz OVADWWSZWBYGRF-QWHCGFSZSA-N 1 1 263.381 3.187 20 10 CGCDMO Oc1ccccc1C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000187677576 640094124 /nfs/dbraw/zinc/09/41/24/640094124.db2.gz VYCZRIAWCZKCCD-UHFFFAOYSA-N 1 1 265.356 3.440 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C(C)C)C2CCC2)c1O ZINC000079443655 640402228 /nfs/dbraw/zinc/40/22/28/640402228.db2.gz HGILGRRQSPTRHH-UHFFFAOYSA-N 1 1 279.355 3.497 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+](C(C)C)C2CCC2)c1O ZINC000079443655 640402236 /nfs/dbraw/zinc/40/22/36/640402236.db2.gz HGILGRRQSPTRHH-UHFFFAOYSA-N 1 1 279.355 3.497 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000091772282 640721769 /nfs/dbraw/zinc/72/17/69/640721769.db2.gz ZVSZORYQNNEPSO-SFHVURJKSA-N 1 1 288.435 3.288 20 10 CGCDMO CC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000096810832 640839107 /nfs/dbraw/zinc/83/91/07/640839107.db2.gz ITNOFUOKXQRUAK-GFCCVEGCSA-N 1 1 277.364 3.133 20 10 CGCDMO CC(C)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000096810830 640839266 /nfs/dbraw/zinc/83/92/66/640839266.db2.gz XJDBGOANSWLKSC-ZDUSSCGKSA-N 1 1 291.391 3.379 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+](CCCCO)C2CC2)c1O ZINC000305785416 640905720 /nfs/dbraw/zinc/90/57/20/640905720.db2.gz XMHBEXDTVVTKRP-UHFFFAOYSA-N 1 1 283.799 3.091 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)Cc2ccc(F)cc2)c1O ZINC000119823687 641045399 /nfs/dbraw/zinc/04/53/99/641045399.db2.gz HBYCKWSYHBLRSI-UHFFFAOYSA-N 1 1 289.350 3.480 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)CCC(C)(C)C)c1 ZINC000399671625 799541133 /nfs/dbraw/zinc/54/11/33/799541133.db2.gz MCHZMCONVCJSQC-UHFFFAOYSA-N 1 1 251.370 3.269 20 10 CGCDMO CC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)[C@H](C)CO1 ZINC000403863318 799571954 /nfs/dbraw/zinc/57/19/54/799571954.db2.gz ZXHZBJGGLWCBMZ-MFKMUULPSA-N 1 1 269.772 3.045 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)[C@H](C)CO1 ZINC000403863318 799571958 /nfs/dbraw/zinc/57/19/58/799571958.db2.gz ZXHZBJGGLWCBMZ-MFKMUULPSA-N 1 1 269.772 3.045 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC(C)(C)OC[C@H]2CC)c1O ZINC000403916409 799572465 /nfs/dbraw/zinc/57/24/65/799572465.db2.gz OVKRRMNNMDFXIT-CQSZACIVSA-N 1 1 293.407 3.180 20 10 CGCDMO Cc1ccc(CC[NH2+][C@H](C)c2ccc(F)cc2O)nc1 ZINC000689394700 799763546 /nfs/dbraw/zinc/76/35/46/799763546.db2.gz DLSZKMMTKIAWIZ-GFCCVEGCSA-N 1 1 274.339 3.128 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](F)C1 ZINC000701658973 799891168 /nfs/dbraw/zinc/89/11/68/799891168.db2.gz QCVMVJYRDQZDLL-CYBMUJFWSA-N 1 1 259.324 3.479 20 10 CGCDMO C[C@H]([NH2+]CC[C@@H]1CCSC1)c1ccc(F)cc1O ZINC000704791472 799941659 /nfs/dbraw/zinc/94/16/59/799941659.db2.gz UVIIJNBVRCLKBX-WDEREUQCSA-N 1 1 269.385 3.325 20 10 CGCDMO CC[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000707136571 799974155 /nfs/dbraw/zinc/97/41/55/799974155.db2.gz SRRJORKLEGOJCC-JTQLQIEISA-N 1 1 284.197 3.387 20 10 CGCDMO C[C@H]1C[N@H+](Cc2cc(F)cc(F)c2[O-])CC[C@@H]1C ZINC000708424647 799988362 /nfs/dbraw/zinc/98/83/62/799988362.db2.gz ZBLQKABDBNZXQY-UWVGGRQHSA-N 1 1 255.308 3.148 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)CC[C@@H]1C ZINC000708424647 799988367 /nfs/dbraw/zinc/98/83/67/799988367.db2.gz ZBLQKABDBNZXQY-UWVGGRQHSA-N 1 1 255.308 3.148 20 10 CGCDMO C[C@H]1C[N@H+](Cc2cc(F)cc(F)c2O)CC[C@@H]1C ZINC000708424647 799988371 /nfs/dbraw/zinc/98/83/71/799988371.db2.gz ZBLQKABDBNZXQY-UWVGGRQHSA-N 1 1 255.308 3.148 20 10 CGCDMO CS[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708466983 799989303 /nfs/dbraw/zinc/98/93/03/799989303.db2.gz WWFDGIXHPUWXRI-GHMZBOCLSA-N 1 1 273.348 3.044 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]Cc1cccc(F)c1 ZINC000708483701 799990039 /nfs/dbraw/zinc/99/00/39/799990039.db2.gz FWXZGBHPJJPUHB-UHFFFAOYSA-N 1 1 267.250 3.099 20 10 CGCDMO CC(C)(C)[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000709000165 800001174 /nfs/dbraw/zinc/00/11/74/800001174.db2.gz KUEYYCQKQBJGMD-AWEZNQCLSA-N 1 1 283.799 3.293 20 10 CGCDMO CC(C)(C)[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000709000165 800001180 /nfs/dbraw/zinc/00/11/80/800001180.db2.gz KUEYYCQKQBJGMD-AWEZNQCLSA-N 1 1 283.799 3.293 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H](CF)C1 ZINC000711503448 800064997 /nfs/dbraw/zinc/06/49/97/800064997.db2.gz SHTJHTCZNMKZJW-LBPRGKRZSA-N 1 1 259.324 3.337 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1c(O)cccc1F ZINC000886643448 800545422 /nfs/dbraw/zinc/54/54/22/800545422.db2.gz VSRIQHVPUFCLTK-OCCSQVGLSA-N 1 1 292.398 3.199 20 10 CGCDMO COc1cccc2c1CC[C@@H]([N@@H+](C)Cc1ccccc1O)C2 ZINC001256654369 806941196 /nfs/dbraw/zinc/94/11/96/806941196.db2.gz MRKFKRUIQRKEEN-MRXNPFEDSA-N 1 1 297.398 3.390 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@H](C)Cc1ccncc1 ZINC001256751532 806972498 /nfs/dbraw/zinc/97/24/98/806972498.db2.gz YQMXUXFUASRVBY-CQSZACIVSA-N 1 1 270.376 3.240 20 10 CGCDMO CC[C@@H]([NH2+]CCC1CCOCC1)c1ccc(F)cc1O ZINC001117113955 802434234 /nfs/dbraw/zinc/43/42/34/802434234.db2.gz XIUKZHXNVKIXAO-OAHLLOKOSA-N 1 1 281.371 3.389 20 10 CGCDMO Oc1ccc2c(c1)C1(CC1)C[N@H+](Cc1ccccc1O)C2 ZINC001117656140 802474580 /nfs/dbraw/zinc/47/45/80/802474580.db2.gz GLXRVGXVTBXRMA-UHFFFAOYSA-N 1 1 281.355 3.145 20 10 CGCDMO C[C@]1([NH3+])CCC[N@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC001205280626 812929094 /nfs/dbraw/zinc/92/90/94/812929094.db2.gz DRWYYGQAGXMEHE-SFHVURJKSA-N 1 1 284.403 3.249 20 10 CGCDMO C[C@]1([NH3+])CCC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC001205280626 812929097 /nfs/dbraw/zinc/92/90/97/812929097.db2.gz DRWYYGQAGXMEHE-SFHVURJKSA-N 1 1 284.403 3.249 20 10 CGCDMO C[N@H+](Cc1ccc(F)cc1)Cc1c(O)cccc1F ZINC001137831454 803777504 /nfs/dbraw/zinc/77/75/04/803777504.db2.gz AHRFBBRQKSTZDO-UHFFFAOYSA-N 1 1 263.287 3.302 20 10 CGCDMO C[N@@H+](Cc1ccc(F)cc1)Cc1c(O)cccc1F ZINC001137831454 803777510 /nfs/dbraw/zinc/77/75/10/803777510.db2.gz AHRFBBRQKSTZDO-UHFFFAOYSA-N 1 1 263.287 3.302 20 10 CGCDMO Cc1cc(CN2CCC[N@H+](C)CC2)c(C)n1-c1ccccc1 ZINC001137854281 803785409 /nfs/dbraw/zinc/78/54/09/803785409.db2.gz PJXSEWDIYXZUMI-UHFFFAOYSA-N 1 1 297.446 3.232 20 10 CGCDMO Cc1cc(C[N@H+]2CCCN(C)CC2)c(C)n1-c1ccccc1 ZINC001137854281 803785412 /nfs/dbraw/zinc/78/54/12/803785412.db2.gz PJXSEWDIYXZUMI-UHFFFAOYSA-N 1 1 297.446 3.232 20 10 CGCDMO Cc1cc(C[N@@H+]2CCCN(C)CC2)c(C)n1-c1ccccc1 ZINC001137854281 803785417 /nfs/dbraw/zinc/78/54/17/803785417.db2.gz PJXSEWDIYXZUMI-UHFFFAOYSA-N 1 1 297.446 3.232 20 10 CGCDMO Cc1cc(C[N@H+](C)[C@H]2CCOC2)c(C)n1-c1ccccc1 ZINC001137858010 803785930 /nfs/dbraw/zinc/78/59/30/803785930.db2.gz SNVUAFKCVMCSJK-SFHVURJKSA-N 1 1 284.403 3.315 20 10 CGCDMO Cc1c(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)c2ccccc2n1C ZINC001138258025 803884592 /nfs/dbraw/zinc/88/45/92/803884592.db2.gz ISDJSZYWVJYTKD-RDTXWAMCSA-N 1 1 284.403 3.098 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2c3ccccc3n(C)c2C)[C@@H](C)C1 ZINC001138260751 803887459 /nfs/dbraw/zinc/88/74/59/803887459.db2.gz RDLGEFOALUJIML-DZGCQCFKSA-N 1 1 286.419 3.486 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3C[C@@H]4CCC[C@@H]4C3)ccc21 ZINC001138354816 803900829 /nfs/dbraw/zinc/90/08/29/803900829.db2.gz WAZVKGPIHLGNJJ-CALCHBBNSA-N 1 1 270.420 3.301 20 10 CGCDMO CCCO[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139671855 804247204 /nfs/dbraw/zinc/24/72/04/804247204.db2.gz PBZDPYKHQPCNEH-MRXNPFEDSA-N 1 1 276.424 3.062 20 10 CGCDMO Cc1cc(C[N@H+]2CCc3cnccc3C2)ccc1N(C)C ZINC001139669826 804248324 /nfs/dbraw/zinc/24/83/24/804248324.db2.gz PPRQSYNIURLSKQ-UHFFFAOYSA-N 1 1 281.403 3.014 20 10 CGCDMO CC[C@@H]1C[C@@H](NCc2ccc(N(C)C)cc2)C[C@H](CC)[NH2+]1 ZINC001246304908 804269464 /nfs/dbraw/zinc/26/94/64/804269464.db2.gz BXPZNXCOZBNEOQ-BJWYYQGGSA-N 1 1 289.467 3.151 20 10 CGCDMO CCN(CC)CC[N@H+](CC)Cc1c(C)ccc(C)c1O ZINC001140180243 804397096 /nfs/dbraw/zinc/39/70/96/804397096.db2.gz UGYHHZNMOKSVHF-UHFFFAOYSA-N 1 1 278.440 3.173 20 10 CGCDMO CCN(CC)CC[N@@H+](CC)Cc1c(C)ccc(C)c1O ZINC001140180243 804397103 /nfs/dbraw/zinc/39/71/03/804397103.db2.gz UGYHHZNMOKSVHF-UHFFFAOYSA-N 1 1 278.440 3.173 20 10 CGCDMO Oc1cccc(Cl)c1C[N@@H+](CC1CC1)C1CC1 ZINC001140341931 804419860 /nfs/dbraw/zinc/41/98/60/804419860.db2.gz LLINARQGEIHHRP-UHFFFAOYSA-N 1 1 251.757 3.420 20 10 CGCDMO CC[N@H+](CCN1CCCCC1)Cc1ccc(Cl)cc1O ZINC001140465233 804444186 /nfs/dbraw/zinc/44/41/86/804444186.db2.gz JAMJXXYGPUSVKM-UHFFFAOYSA-N 1 1 296.842 3.353 20 10 CGCDMO CC[N@@H+](CCN1CCCCC1)Cc1ccc(Cl)cc1O ZINC001140465233 804444191 /nfs/dbraw/zinc/44/41/91/804444191.db2.gz JAMJXXYGPUSVKM-UHFFFAOYSA-N 1 1 296.842 3.353 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2Cc3ccc(F)cc3C2)c1 ZINC001140621318 804476758 /nfs/dbraw/zinc/47/67/58/804476758.db2.gz VOBXVLFRHQFVMV-UHFFFAOYSA-N 1 1 257.308 3.356 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2Cc3ccc(F)cc3C2)c1 ZINC001140621318 804476761 /nfs/dbraw/zinc/47/67/61/804476761.db2.gz VOBXVLFRHQFVMV-UHFFFAOYSA-N 1 1 257.308 3.356 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@](CF)(C(F)(F)F)C2)c1 ZINC001140619271 804476989 /nfs/dbraw/zinc/47/69/89/804476989.db2.gz ACMMDTRVLNHEQZ-ZDUSSCGKSA-N 1 1 291.288 3.425 20 10 CGCDMO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](C)C(F)(F)CC2)c1O ZINC001140742792 804502456 /nfs/dbraw/zinc/50/24/56/804502456.db2.gz ZBSAIRSTELGWCX-SNVBAGLBSA-N 1 1 285.334 3.273 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CCc3sccc3C2)c1O ZINC001140744053 804502560 /nfs/dbraw/zinc/50/25/60/804502560.db2.gz JNFOZEGMODUERM-UHFFFAOYSA-N 1 1 275.373 3.026 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@](C)(CF)C2)c(O)c1 ZINC001140850177 804533830 /nfs/dbraw/zinc/53/38/30/804533830.db2.gz FWZMQCFULGENLI-QGZVFWFLSA-N 1 1 294.414 3.420 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)CC2CC2)c(Cl)c1 ZINC001140921388 804548697 /nfs/dbraw/zinc/54/86/97/804548697.db2.gz CUQDGBQEDPYEAC-UHFFFAOYSA-N 1 1 252.789 3.248 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@@H]2COCc2ccccc2)c(O)c1 ZINC001140950224 804558158 /nfs/dbraw/zinc/55/81/58/804558158.db2.gz WDMFHTOFLIBQNG-GOSISDBHSA-N 1 1 297.398 3.492 20 10 CGCDMO Cc1ccc(C[N@@H+](Cc2ccco2)C2CC2)c(O)c1 ZINC001140958133 804558728 /nfs/dbraw/zinc/55/87/28/804558728.db2.gz RZDMUJANUBHMSK-UHFFFAOYSA-N 1 1 257.333 3.458 20 10 CGCDMO CN1CCOc2cc(C[N@@H+](C)Cc3cccs3)ccc21 ZINC001141143372 804596928 /nfs/dbraw/zinc/59/69/28/804596928.db2.gz WKIXVVZZCAXFGO-UHFFFAOYSA-N 1 1 288.416 3.209 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC001141160052 804601746 /nfs/dbraw/zinc/60/17/46/804601746.db2.gz QFZFNHDBOIQYCC-GFCCVEGCSA-N 1 1 287.334 3.226 20 10 CGCDMO C[N@H+](Cc1cc(F)c(F)cc1O)C1CCCCC1 ZINC001142502522 804726894 /nfs/dbraw/zinc/72/68/94/804726894.db2.gz QTTFZHLVASJGSM-UHFFFAOYSA-N 1 1 255.308 3.435 20 10 CGCDMO C[N@@H+](Cc1cc(F)c(F)cc1O)C1CCCCC1 ZINC001142502522 804726899 /nfs/dbraw/zinc/72/68/99/804726899.db2.gz QTTFZHLVASJGSM-UHFFFAOYSA-N 1 1 255.308 3.435 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC001142520123 804730732 /nfs/dbraw/zinc/73/07/32/804730732.db2.gz BPRPWTAPKZSSBP-LBPRGKRZSA-N 1 1 290.313 3.055 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001142520123 804730734 /nfs/dbraw/zinc/73/07/34/804730734.db2.gz BPRPWTAPKZSSBP-LBPRGKRZSA-N 1 1 290.313 3.055 20 10 CGCDMO CC[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142524587 804731509 /nfs/dbraw/zinc/73/15/09/804731509.db2.gz BZHUYVRVTCMLJE-LLVKDONJSA-N 1 1 255.308 3.435 20 10 CGCDMO CC[C@@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142524587 804731514 /nfs/dbraw/zinc/73/15/14/804731514.db2.gz BZHUYVRVTCMLJE-LLVKDONJSA-N 1 1 255.308 3.435 20 10 CGCDMO [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001142524785 804731662 /nfs/dbraw/zinc/73/16/62/804731662.db2.gz KOMGGMXZNQUYEL-QMTHXVAHSA-N 1 1 267.319 3.435 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC001142524785 804731663 /nfs/dbraw/zinc/73/16/63/804731663.db2.gz KOMGGMXZNQUYEL-QMTHXVAHSA-N 1 1 267.319 3.435 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001142524785 804731665 /nfs/dbraw/zinc/73/16/65/804731665.db2.gz KOMGGMXZNQUYEL-QMTHXVAHSA-N 1 1 267.319 3.435 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc3[nH]cnc32)cc1 ZINC001142692462 804757756 /nfs/dbraw/zinc/75/77/56/804757756.db2.gz DTVHJNSSPZZSNR-UHFFFAOYSA-N 1 1 294.402 3.261 20 10 CGCDMO CN(C)c1ccc(C[N@H+](C)Cc2cccc3nc[nH]c32)cc1 ZINC001142692462 804757761 /nfs/dbraw/zinc/75/77/61/804757761.db2.gz DTVHJNSSPZZSNR-UHFFFAOYSA-N 1 1 294.402 3.261 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc3nc[nH]c32)cc1 ZINC001142692462 804757767 /nfs/dbraw/zinc/75/77/67/804757767.db2.gz DTVHJNSSPZZSNR-UHFFFAOYSA-N 1 1 294.402 3.261 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CCC[C@@](C)(O)CC2)c1O ZINC001143104573 804801217 /nfs/dbraw/zinc/80/12/17/804801217.db2.gz VITUIHBEAQRNSW-GOSISDBHSA-N 1 1 291.435 3.427 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CCC[C@]3(CCO3)C2)c1O ZINC001143112064 804803309 /nfs/dbraw/zinc/80/33/09/804803309.db2.gz JDJVIRDXRWEVBV-SFHVURJKSA-N 1 1 289.419 3.445 20 10 CGCDMO COc1c(F)cccc1C[N@@H+](C)Cc1ccccc1O ZINC001143536730 804864417 /nfs/dbraw/zinc/86/44/17/804864417.db2.gz GMYNQEJZESUSPD-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO COc1c(F)cccc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001143536745 804864773 /nfs/dbraw/zinc/86/47/73/804864773.db2.gz HBSVCDXAVHDINL-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC001167838214 807258622 /nfs/dbraw/zinc/25/86/22/807258622.db2.gz RSTACYNNWWBJMB-OAHLLOKOSA-N 1 1 278.440 3.335 20 10 CGCDMO CC1CCC([N@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001168222143 807355009 /nfs/dbraw/zinc/35/50/09/807355009.db2.gz ZKAUFIDRMVMQHW-UHFFFAOYSA-N 1 1 275.392 3.425 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@H](C)Cc1ccco1 ZINC001258196452 807355958 /nfs/dbraw/zinc/35/59/58/807355958.db2.gz WTXKZGOVNCPUJP-CYBMUJFWSA-N 1 1 259.349 3.438 20 10 CGCDMO CCN(C)c1ccc(CN2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)cc1 ZINC001168839524 807524493 /nfs/dbraw/zinc/52/44/93/807524493.db2.gz VDNBTPCYVSAKHI-CVEARBPZSA-N 1 1 289.467 3.057 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C)N(CC)C[C@@H]2C)cc1 ZINC001168839524 807524497 /nfs/dbraw/zinc/52/44/97/807524497.db2.gz VDNBTPCYVSAKHI-CVEARBPZSA-N 1 1 289.467 3.057 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2C[C@@H](C)N(CC)C[C@@H]2C)cc1 ZINC001168839524 807524507 /nfs/dbraw/zinc/52/45/07/807524507.db2.gz VDNBTPCYVSAKHI-CVEARBPZSA-N 1 1 289.467 3.057 20 10 CGCDMO Oc1cccc2c1C[N@H+]([C@@H]1Cc3cccc(F)c3C1)CC2 ZINC001171807385 808145999 /nfs/dbraw/zinc/14/59/99/808145999.db2.gz UAWFLOBPWAGOCB-CQSZACIVSA-N 1 1 283.346 3.057 20 10 CGCDMO CN1CC2(C1)CCC[N@@H+](Cc1cc3ccccc3cc1O)C2 ZINC001276811899 809033179 /nfs/dbraw/zinc/03/31/79/809033179.db2.gz AZGLTQOJVFKXIU-UHFFFAOYSA-N 1 1 296.414 3.073 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc2nc[nH]c2c1)c1ccccc1O ZINC001179489512 809925349 /nfs/dbraw/zinc/92/53/49/809925349.db2.gz RLKMLTFTYYDXPE-LLVKDONJSA-N 1 1 267.332 3.119 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c1 ZINC001180664765 810017298 /nfs/dbraw/zinc/01/72/98/810017298.db2.gz JDVKNPTVPZZJLP-GUYCJALGSA-N 1 1 298.386 3.379 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+][C@H](C1CC1)C1CCC1 ZINC001182204391 810098201 /nfs/dbraw/zinc/09/82/01/810098201.db2.gz QZCVSYPXXPSNGA-HNNXBMFYSA-N 1 1 267.319 3.339 20 10 CGCDMO COc1ccccc1O[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC001203556428 812390752 /nfs/dbraw/zinc/39/07/52/812390752.db2.gz PLZZIMRQJHTHSS-OAHLLOKOSA-N 1 1 299.370 3.054 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001203549940 812391537 /nfs/dbraw/zinc/39/15/37/812391537.db2.gz DKRHYRXXNCKINB-LBPRGKRZSA-N 1 1 277.261 3.116 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC(F)(F)C(C)(C)C2)c1 ZINC001203669909 812425346 /nfs/dbraw/zinc/42/53/46/812425346.db2.gz HMIGFDHIRNMNFS-UHFFFAOYSA-N 1 1 285.334 3.268 20 10 CGCDMO Cc1ccccc1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001203708481 812436225 /nfs/dbraw/zinc/43/62/25/812436225.db2.gz LDEHMLRBQMAINU-UHFFFAOYSA-N 1 1 283.371 3.355 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC001203871331 812477373 /nfs/dbraw/zinc/47/73/73/812477373.db2.gz GMQQRIJDMRXLGX-QMTHXVAHSA-N 1 1 299.773 3.232 20 10 CGCDMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203882283 812479949 /nfs/dbraw/zinc/47/99/49/812479949.db2.gz GYAMOGSDQPYBCC-OAHLLOKOSA-N 1 1 299.370 3.444 20 10 CGCDMO CCN(CC)c1ccc(CN2CCn3c(C)[nH+]cc3C2)cc1 ZINC001203940707 812497633 /nfs/dbraw/zinc/49/76/33/812497633.db2.gz WKESHCGMNSNCER-UHFFFAOYSA-N 1 1 298.434 3.054 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)cc1 ZINC001203940740 812497972 /nfs/dbraw/zinc/49/79/72/812497972.db2.gz YIJLIRJMWSRLBG-CALCHBBNSA-N 1 1 286.419 3.229 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCCC[C@@](C)(O)C2)cc1 ZINC001203937416 812498188 /nfs/dbraw/zinc/49/81/88/812498188.db2.gz YJFDNLPGMDACTB-GOSISDBHSA-N 1 1 290.451 3.270 20 10 CGCDMO CCOc1cc(C[N@H+]2CCc3cccc(O)c3C2)ccc1O ZINC001204132782 812552320 /nfs/dbraw/zinc/55/23/20/812552320.db2.gz DATXDJGVPDAJGN-UHFFFAOYSA-N 1 1 299.370 3.055 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)CC2(C)COC2)c2ccccc21 ZINC001204242936 812583328 /nfs/dbraw/zinc/58/33/28/812583328.db2.gz UJPSWYXOKDERHS-UHFFFAOYSA-N 1 1 298.430 3.374 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)[C@H]2CCN(C)C2)c2ccccc21 ZINC001204243392 812584199 /nfs/dbraw/zinc/58/41/99/812584199.db2.gz ZCZLOWMJHKUOET-INIZCTEOSA-N 1 1 297.446 3.042 20 10 CGCDMO CN(C)c1ccc(CN(C)[C@H]2CC[N@H+](C)C2)c2ccccc21 ZINC001204243392 812584204 /nfs/dbraw/zinc/58/42/04/812584204.db2.gz ZCZLOWMJHKUOET-INIZCTEOSA-N 1 1 297.446 3.042 20 10 CGCDMO CN(C)c1ccc(CN(C)[C@H]2CC[N@@H+](C)C2)c2ccccc21 ZINC001204243392 812584209 /nfs/dbraw/zinc/58/42/09/812584209.db2.gz ZCZLOWMJHKUOET-INIZCTEOSA-N 1 1 297.446 3.042 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@H](c3ccccc3)C2)cc(O)c1O ZINC001204343840 812615669 /nfs/dbraw/zinc/61/56/69/812615669.db2.gz TTXUFRHSAITKOI-HNNXBMFYSA-N 1 1 299.370 3.096 20 10 CGCDMO Cc1cc(CN2CCC([NH3+])CC2)c(C)n1-c1ccccc1 ZINC001204645965 812700332 /nfs/dbraw/zinc/70/03/32/812700332.db2.gz CYRQMDUXVINBDB-UHFFFAOYSA-N 1 1 283.419 3.017 20 10 CGCDMO C[N@@H+](Cc1ccc(C(F)(F)F)nc1)Cc1ccccc1O ZINC001205443812 812984116 /nfs/dbraw/zinc/98/41/16/812984116.db2.gz BDUNFWWDJRTQEQ-UHFFFAOYSA-N 1 1 296.292 3.438 20 10 CGCDMO Cc1cc([O-])c(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1Cl ZINC001206012233 813165087 /nfs/dbraw/zinc/16/50/87/813165087.db2.gz JDSRYARPESEJDO-QWHCGFSZSA-N 1 1 296.842 3.161 20 10 CGCDMO Cc1cc([O-])c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1Cl ZINC001206012233 813165089 /nfs/dbraw/zinc/16/50/89/813165089.db2.gz JDSRYARPESEJDO-QWHCGFSZSA-N 1 1 296.842 3.161 20 10 CGCDMO CN(C)c1cc(F)c(C[N@H+]2C[C@H]3CCCC[C@H]32)cc1F ZINC001206560742 813353736 /nfs/dbraw/zinc/35/37/36/813353736.db2.gz VZGXDHWTJMMQPI-IAQYHMDHSA-N 1 1 280.362 3.405 20 10 CGCDMO C[C@@]1(C[NH3+])CCCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001206563480 813354774 /nfs/dbraw/zinc/35/47/74/813354774.db2.gz DJYZASBYXQLDKY-IBGZPJMESA-N 1 1 298.430 3.496 20 10 CGCDMO C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001206563480 813354780 /nfs/dbraw/zinc/35/47/80/813354780.db2.gz DJYZASBYXQLDKY-IBGZPJMESA-N 1 1 298.430 3.496 20 10 CGCDMO C[C@@H](C[N@@H+](C)Cc1ccccc1O)OCc1ccccc1 ZINC001208701827 813804302 /nfs/dbraw/zinc/80/43/02/813804302.db2.gz DZXZLYYWCQLYGS-HNNXBMFYSA-N 1 1 285.387 3.429 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)CC1C[C@H](C)O[C@@H](C)C1 ZINC001209399028 814013366 /nfs/dbraw/zinc/01/33/66/814013366.db2.gz RQQWDKRNRSDLDD-KBPBESRZSA-N 1 1 277.408 3.418 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+](C)CCN(C)C)cc1 ZINC001209519624 814072862 /nfs/dbraw/zinc/07/28/62/814072862.db2.gz YPWLGJUBEPMLDV-UHFFFAOYSA-N 1 1 285.435 3.088 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+](C)CCN(C)C)cc1 ZINC001209519624 814072867 /nfs/dbraw/zinc/07/28/67/814072867.db2.gz YPWLGJUBEPMLDV-UHFFFAOYSA-N 1 1 285.435 3.088 20 10 CGCDMO CC[N@@H+](Cc1nn(C)c2ccccc12)Cc1ccccc1O ZINC001209583107 814091585 /nfs/dbraw/zinc/09/15/85/814091585.db2.gz FLFOKIJXXJPYTG-UHFFFAOYSA-N 1 1 295.386 3.301 20 10 CGCDMO Cc1cccc(C[N@H+](C(C)C)C2CCOCC2)c1O ZINC001231595537 818133030 /nfs/dbraw/zinc/13/30/30/818133030.db2.gz YOPBSPSUTVSOIM-UHFFFAOYSA-N 1 1 263.381 3.090 20 10 CGCDMO CCC[C@H]1CCCC[N@H+]1Cc1cc(OC)c(O)cc1O ZINC001231635046 818144402 /nfs/dbraw/zinc/14/44/02/818144402.db2.gz DGVSPPZMVIAMHB-ZDUSSCGKSA-N 1 1 279.380 3.261 20 10 CGCDMO C[C@]1(CF)CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231910676 818210539 /nfs/dbraw/zinc/21/05/39/818210539.db2.gz QGRDHCLGHVBWTP-CYBMUJFWSA-N 1 1 257.736 3.227 20 10 CGCDMO CCO[C@@H]1CCC[N@@H+](Cc2c(C)cc(C)cc2O)C1 ZINC001231843884 818185663 /nfs/dbraw/zinc/18/56/63/818185663.db2.gz CMJDNTBLMHCQSE-CQSZACIVSA-N 1 1 263.381 3.010 20 10 CGCDMO CC[N@@H+](Cc1ccncc1)Cc1c(C)cc(C)cc1O ZINC001231842878 818186533 /nfs/dbraw/zinc/18/65/33/818186533.db2.gz XQKRLNXZWYMOOW-UHFFFAOYSA-N 1 1 270.376 3.426 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC(=O)[C@H](C)CC2)cc1Cl ZINC001231868038 818192202 /nfs/dbraw/zinc/19/22/02/818192202.db2.gz PLGTUFWXZHNRPR-SNVBAGLBSA-N 1 1 281.783 3.155 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC(=O)[C@H](C)CC2)cc1Cl ZINC001231868038 818192205 /nfs/dbraw/zinc/19/22/05/818192205.db2.gz PLGTUFWXZHNRPR-SNVBAGLBSA-N 1 1 281.783 3.155 20 10 CGCDMO CC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001231870372 818193080 /nfs/dbraw/zinc/19/30/80/818193080.db2.gz WPSNPXNJNLYXOL-LBPRGKRZSA-N 1 1 281.783 3.155 20 10 CGCDMO C[N@H+](C1CC1)C1CCN(Cc2cccc(Cl)c2O)CC1 ZINC001231914840 818211518 /nfs/dbraw/zinc/21/15/18/818211518.db2.gz RVAOZIMSYABIFZ-UHFFFAOYSA-N 1 1 294.826 3.104 20 10 CGCDMO C[N@@H+](C1CC1)C1CCN(Cc2cccc(Cl)c2O)CC1 ZINC001231914840 818211523 /nfs/dbraw/zinc/21/15/23/818211523.db2.gz RVAOZIMSYABIFZ-UHFFFAOYSA-N 1 1 294.826 3.104 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CCc3ccccc3C2)cc1Cl ZINC001232259064 818295208 /nfs/dbraw/zinc/29/52/08/818295208.db2.gz QYLXQCSVNRCQPM-UHFFFAOYSA-N 1 1 289.762 3.310 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)CCC1(F)F ZINC001232259391 818295388 /nfs/dbraw/zinc/29/53/88/818295388.db2.gz ILODOLYYIMOOMC-MRVPVSSYSA-N 1 1 291.725 3.228 20 10 CGCDMO C[N@@H+](CCc1ccccc1)Cc1cc(Cl)c(O)cc1O ZINC001232257454 818295818 /nfs/dbraw/zinc/29/58/18/818295818.db2.gz DMQOGLQSSZUQBN-UHFFFAOYSA-N 1 1 291.778 3.426 20 10 CGCDMO C[C@@]1(F)CCC[N@@H+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232261182 818295941 /nfs/dbraw/zinc/29/59/41/818295941.db2.gz WGZJWVPENHWORX-CQSZACIVSA-N 1 1 287.762 3.465 20 10 CGCDMO COc1cc(O)c(C[N@H+]2C[C@@H](C)CC23CC3)cc1Cl ZINC001232267407 818297817 /nfs/dbraw/zinc/29/78/17/818297817.db2.gz BKRCYBHPRUTNDX-JTQLQIEISA-N 1 1 281.783 3.429 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CCC3(CCC3)C2)cc1Cl ZINC001232262268 818298827 /nfs/dbraw/zinc/29/88/27/818298827.db2.gz DQMVARLEFDIAGT-UHFFFAOYSA-N 1 1 267.756 3.127 20 10 CGCDMO CC(C)[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1O ZINC001232840689 818453630 /nfs/dbraw/zinc/45/36/30/818453630.db2.gz HBOILSQBCBBGOG-OAHLLOKOSA-N 1 1 262.397 3.079 20 10 CGCDMO CC[N@H+](Cc1cc(O)c(F)c(F)c1)Cc1ccccc1O ZINC001232975455 818489523 /nfs/dbraw/zinc/48/95/23/818489523.db2.gz KBCPLTZJZPNVLW-UHFFFAOYSA-N 1 1 293.313 3.398 20 10 CGCDMO CC[N@@H+](Cc1cc(O)c(F)c(F)c1)Cc1ccccc1O ZINC001232975455 818489527 /nfs/dbraw/zinc/48/95/27/818489527.db2.gz KBCPLTZJZPNVLW-UHFFFAOYSA-N 1 1 293.313 3.398 20 10 CGCDMO Oc1cc(C[N@@H+]2CCC[C@H]2c2cccs2)cc(O)c1O ZINC001233011489 818500914 /nfs/dbraw/zinc/50/09/14/818500914.db2.gz AUCWZAXDBZDMAV-NSHDSACASA-N 1 1 291.372 3.202 20 10 CGCDMO Oc1cc(C[N@H+]2CCC[C@H]2c2cccs2)cc(O)c1O ZINC001233011489 818500921 /nfs/dbraw/zinc/50/09/21/818500921.db2.gz AUCWZAXDBZDMAV-NSHDSACASA-N 1 1 291.372 3.202 20 10 CGCDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc(O)c(O)c(O)c2)c1 ZINC001233011154 818501203 /nfs/dbraw/zinc/50/12/03/818501203.db2.gz ZPLPMDRTJBPCSS-HNNXBMFYSA-N 1 1 299.370 3.449 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@@H](O)CC2)c1 ZINC001233283920 818566385 /nfs/dbraw/zinc/56/63/85/818566385.db2.gz AXSOGLORQBNCTC-OAHLLOKOSA-N 1 1 277.408 3.037 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCOCC23CCC3)c1 ZINC001233286196 818568290 /nfs/dbraw/zinc/56/82/90/818568290.db2.gz JMQKZBPTVRFGSS-UHFFFAOYSA-N 1 1 289.419 3.445 20 10 CGCDMO CCC[N@@H+](Cc1c([O-])ccc(F)c1F)C1CCOCC1 ZINC001233335936 818588858 /nfs/dbraw/zinc/58/88/58/818588858.db2.gz RROZQXUQFOEVET-UHFFFAOYSA-N 1 1 285.334 3.061 20 10 CGCDMO CCC[N@H+](Cc1c(O)ccc(F)c1F)C1CCOCC1 ZINC001233335936 818588867 /nfs/dbraw/zinc/58/88/67/818588867.db2.gz RROZQXUQFOEVET-UHFFFAOYSA-N 1 1 285.334 3.061 20 10 CGCDMO CCC[N@@H+](Cc1c(O)ccc(F)c1F)C1CCOCC1 ZINC001233335936 818588872 /nfs/dbraw/zinc/58/88/72/818588872.db2.gz RROZQXUQFOEVET-UHFFFAOYSA-N 1 1 285.334 3.061 20 10 CGCDMO C[N@@H+](Cc1ccncc1)Cc1ccc(C(F)(F)F)cc1O ZINC001233452114 818623134 /nfs/dbraw/zinc/62/31/34/818623134.db2.gz LFNOPJFHKNZELY-UHFFFAOYSA-N 1 1 296.292 3.438 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233451991 818623184 /nfs/dbraw/zinc/62/31/84/818623184.db2.gz HIPFFLTZSAFFSP-SECBINFHSA-N 1 1 259.271 3.253 20 10 CGCDMO Oc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001233452503 818623986 /nfs/dbraw/zinc/62/39/86/818623986.db2.gz YZXWDCXQOXLAEM-DLOVCJGASA-N 1 1 289.272 3.201 20 10 CGCDMO CC(C)C[N@@H+](C)Cc1cccc(OC(F)(F)F)c1O ZINC001233728649 818692123 /nfs/dbraw/zinc/69/21/23/818692123.db2.gz YBWBODTXTHKDNB-UHFFFAOYSA-N 1 1 277.286 3.379 20 10 CGCDMO COC[C@H]1CC[N@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001235001256 818974251 /nfs/dbraw/zinc/97/42/51/818974251.db2.gz UCQXWRBEGDVWOV-MRXNPFEDSA-N 1 1 283.371 3.280 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)C[C@]1(C)O ZINC001235676309 819137414 /nfs/dbraw/zinc/13/74/14/819137414.db2.gz PUAWDCOCJNCVBM-ACJLOTCBSA-N 1 1 291.435 3.283 20 10 CGCDMO CCC[C@H]1C[N@H+](Cc2c(C)n(C)c3ccccc32)CCN1 ZINC001236178287 819357082 /nfs/dbraw/zinc/35/70/82/819357082.db2.gz IZZJQWZCSYONJV-HNNXBMFYSA-N 1 1 285.435 3.061 20 10 CGCDMO CCC[C@H]1C[N@@H+](Cc2c(C)n(C)c3ccccc32)CCN1 ZINC001236178287 819357089 /nfs/dbraw/zinc/35/70/89/819357089.db2.gz IZZJQWZCSYONJV-HNNXBMFYSA-N 1 1 285.435 3.061 20 10 CGCDMO CCc1ccc(C[N@@H+](C)C2CC(F)(F)C2)c(O)c1 ZINC001236783840 819593960 /nfs/dbraw/zinc/59/39/60/819593960.db2.gz ORKZQPRFHNAJML-UHFFFAOYSA-N 1 1 255.308 3.184 20 10 CGCDMO Oc1cc(Cl)c(Cl)cc1C[N@H+]1CCCC[C@H](O)C1 ZINC001236792076 819595344 /nfs/dbraw/zinc/59/53/44/819595344.db2.gz BFSOBANPFGNHKE-JTQLQIEISA-N 1 1 290.190 3.046 20 10 CGCDMO Oc1cc(Cl)c(Cl)cc1C[N@@H+]1CCCC[C@H](O)C1 ZINC001236792076 819595345 /nfs/dbraw/zinc/59/53/45/819595345.db2.gz BFSOBANPFGNHKE-JTQLQIEISA-N 1 1 290.190 3.046 20 10 CGCDMO CCc1ccc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)c(O)c1 ZINC001236789766 819595597 /nfs/dbraw/zinc/59/55/97/819595597.db2.gz RCCVGYYAOXCHQU-KRWDZBQOSA-N 1 1 298.386 3.003 20 10 CGCDMO CCc1ccc(C[N@H+]2CC[C@H](c3ccccn3)C2)c(O)c1 ZINC001236795196 819597610 /nfs/dbraw/zinc/59/76/10/819597610.db2.gz ROORZWOAPKQBNY-HNNXBMFYSA-N 1 1 282.387 3.339 20 10 CGCDMO COc1ccc(C[NH+]2CCCCC2)c(O)c1Cl ZINC001236804957 819602098 /nfs/dbraw/zinc/60/20/98/819602098.db2.gz CSIVSRYMIPSGKQ-UHFFFAOYSA-N 1 1 255.745 3.040 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CC[C@H](c3ccccn3)C2)c(O)c1 ZINC001236813405 819603980 /nfs/dbraw/zinc/60/39/80/819603980.db2.gz KELLATPBSWTORI-AWEZNQCLSA-N 1 1 298.386 3.094 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)CC(C)(C)C)c(O)c1 ZINC001236815024 819605868 /nfs/dbraw/zinc/60/58/68/819605868.db2.gz ZYPINGXARPJUEW-UHFFFAOYSA-N 1 1 251.370 3.187 20 10 CGCDMO COc1ccc(C[N@H+]2CC[C@H](OC)C[C@@H]2C)c(O)c1Cl ZINC001236817771 819606247 /nfs/dbraw/zinc/60/62/47/819606247.db2.gz HISWFECBALBHDA-JQWIXIFHSA-N 1 1 299.798 3.054 20 10 CGCDMO COc1ccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)c(O)c1Cl ZINC001236817771 819606251 /nfs/dbraw/zinc/60/62/51/819606251.db2.gz HISWFECBALBHDA-JQWIXIFHSA-N 1 1 299.798 3.054 20 10 CGCDMO C[N@@H+](Cc1cc2ccccc2cc1O)C1CCOCC1 ZINC001236826093 819607562 /nfs/dbraw/zinc/60/75/62/819607562.db2.gz GRPOATXENBHGDV-UHFFFAOYSA-N 1 1 271.360 3.156 20 10 CGCDMO Oc1cc2ccccc2cc1CN1CC[NH+](C2CCC2)CC1 ZINC001236825723 819608091 /nfs/dbraw/zinc/60/80/91/819608091.db2.gz DRKWFQVBBXWLDH-UHFFFAOYSA-N 1 1 296.414 3.216 20 10 CGCDMO CCN1CCC[N@@H+](Cc2cc3ccccc3cc2O)CC1 ZINC001236827208 819609490 /nfs/dbraw/zinc/60/94/90/819609490.db2.gz RESMXRIVEHFQHB-UHFFFAOYSA-N 1 1 284.403 3.073 20 10 CGCDMO CC[N@@H+]1CCCN(Cc2cc3ccccc3cc2O)CC1 ZINC001236827208 819609494 /nfs/dbraw/zinc/60/94/94/819609494.db2.gz RESMXRIVEHFQHB-UHFFFAOYSA-N 1 1 284.403 3.073 20 10 CGCDMO CC[N@H+]1CCCN(Cc2cc3ccccc3cc2O)CC1 ZINC001236827208 819609501 /nfs/dbraw/zinc/60/95/01/819609501.db2.gz RESMXRIVEHFQHB-UHFFFAOYSA-N 1 1 284.403 3.073 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2O)CCC[C@@H]1O ZINC001236826742 819609861 /nfs/dbraw/zinc/60/98/61/819609861.db2.gz MEDRKNNBZKOTDW-DYVFJYSZSA-N 1 1 285.387 3.138 20 10 CGCDMO CN1C[C@@H]2CCC[N@@H+](Cc3cc4ccccc4cc3O)[C@@H]2C1 ZINC001236833169 819613860 /nfs/dbraw/zinc/61/38/60/819613860.db2.gz PDXBOYOGDWLDRE-FUHWJXTLSA-N 1 1 296.414 3.071 20 10 CGCDMO C[N@@H+]1C[C@@H]2CCCN(Cc3cc4ccccc4cc3O)[C@@H]2C1 ZINC001236833169 819613862 /nfs/dbraw/zinc/61/38/62/819613862.db2.gz PDXBOYOGDWLDRE-FUHWJXTLSA-N 1 1 296.414 3.071 20 10 CGCDMO C[N@H+]1C[C@@H]2CCCN(Cc3cc4ccccc4cc3O)[C@@H]2C1 ZINC001236833169 819613863 /nfs/dbraw/zinc/61/38/63/819613863.db2.gz PDXBOYOGDWLDRE-FUHWJXTLSA-N 1 1 296.414 3.071 20 10 CGCDMO CCOc1ccc(C[NH+]2CC(Oc3ccccc3)C2)c(O)c1 ZINC001237041440 819648971 /nfs/dbraw/zinc/64/89/71/819648971.db2.gz JIAHEFPTVPSSOO-UHFFFAOYSA-N 1 1 299.370 3.054 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CO)c(O)c1 ZINC001237046181 819649803 /nfs/dbraw/zinc/64/98/03/819649803.db2.gz RASTYKPKKPKCDJ-CZUORRHYSA-N 1 1 277.408 3.108 20 10 CGCDMO CCN1CCC[N@@H+](Cc2ccc(C(C)C)cc2O)CC1 ZINC001237046592 819650899 /nfs/dbraw/zinc/65/08/99/819650899.db2.gz UEZAZYFFWRZYJL-UHFFFAOYSA-N 1 1 276.424 3.043 20 10 CGCDMO CC[N@@H+]1CCCN(Cc2ccc(C(C)C)cc2O)CC1 ZINC001237046592 819650904 /nfs/dbraw/zinc/65/09/04/819650904.db2.gz UEZAZYFFWRZYJL-UHFFFAOYSA-N 1 1 276.424 3.043 20 10 CGCDMO CC[N@H+]1CCCN(Cc2ccc(C(C)C)cc2O)CC1 ZINC001237046592 819650907 /nfs/dbraw/zinc/65/09/07/819650907.db2.gz UEZAZYFFWRZYJL-UHFFFAOYSA-N 1 1 276.424 3.043 20 10 CGCDMO C[N@H+](Cc1c(O)ccc(Cl)c1Cl)[C@@H]1CCCOC1 ZINC001237086716 819663597 /nfs/dbraw/zinc/66/35/97/819663597.db2.gz NWEQDWGDJPSNES-SECBINFHSA-N 1 1 290.190 3.310 20 10 CGCDMO C[N@@H+](Cc1c(O)ccc(Cl)c1Cl)[C@@H]1CCCOC1 ZINC001237086716 819663599 /nfs/dbraw/zinc/66/35/99/819663599.db2.gz NWEQDWGDJPSNES-SECBINFHSA-N 1 1 290.190 3.310 20 10 CGCDMO CC(C)[N@@H+](CCCO)Cc1cc(C(F)(F)F)ccc1O ZINC001237139287 819677170 /nfs/dbraw/zinc/67/71/70/819677170.db2.gz KCZSZDBERFHNIV-UHFFFAOYSA-N 1 1 291.313 3.004 20 10 CGCDMO CC[N@@H+](Cc1cc(O)cc(F)c1)Cc1ccccc1O ZINC001237284010 819717806 /nfs/dbraw/zinc/71/78/06/819717806.db2.gz QPRZYQYQASHWDA-UHFFFAOYSA-N 1 1 275.323 3.259 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+](C)CCOc1ccccc1 ZINC001237489589 819761937 /nfs/dbraw/zinc/76/19/37/819761937.db2.gz IXRVAZHXZJSKLE-UHFFFAOYSA-N 1 1 271.360 3.211 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)CC2CC2)cc1Br ZINC001237678517 819803176 /nfs/dbraw/zinc/80/31/76/819803176.db2.gz ZZMBSAJADWUKEA-UHFFFAOYSA-N 1 1 284.197 3.305 20 10 CGCDMO CCC[N@@H+](Cc1cc(OC)cc(OC)c1O)[C@@H](C)CC ZINC001237674924 819804804 /nfs/dbraw/zinc/80/48/04/819804804.db2.gz NHZAHQFCUVXFJF-LBPRGKRZSA-N 1 1 281.396 3.420 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC001237938232 819888527 /nfs/dbraw/zinc/88/85/27/819888527.db2.gz ZTGIXXJHSWCNRS-VIFPVBQESA-N 1 1 275.726 3.366 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@H+]1CCC[C@@H](CF)C1 ZINC001237938232 819888539 /nfs/dbraw/zinc/88/85/39/819888539.db2.gz ZTGIXXJHSWCNRS-VIFPVBQESA-N 1 1 275.726 3.366 20 10 CGCDMO CCOC1CC[NH+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237936416 819889395 /nfs/dbraw/zinc/88/93/95/819889395.db2.gz JNJGSVYOOODXJA-UHFFFAOYSA-N 1 1 287.762 3.186 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC001237948309 819891492 /nfs/dbraw/zinc/89/14/92/819891492.db2.gz CKMAFFNPOMVFAZ-HNNXBMFYSA-N 1 1 299.773 3.187 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC001237948309 819891503 /nfs/dbraw/zinc/89/15/03/819891503.db2.gz CKMAFFNPOMVFAZ-HNNXBMFYSA-N 1 1 299.773 3.187 20 10 CGCDMO Cc1cc(F)cc(C[N@@H+](C)Cc2cccc(O)c2)c1O ZINC001238057752 819918549 /nfs/dbraw/zinc/91/85/49/819918549.db2.gz MEQQZYMAGDXPJX-UHFFFAOYSA-N 1 1 275.323 3.177 20 10 CGCDMO Cc1cc(F)cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1O ZINC001238059536 819920693 /nfs/dbraw/zinc/92/06/93/819920693.db2.gz DMRVJTVRXJNRIQ-TXEJJXNPSA-N 1 1 285.309 3.317 20 10 CGCDMO COc1cnc(C[N@H+](C)Cc2ccccc2O)c(Cl)c1 ZINC001238494529 820025123 /nfs/dbraw/zinc/02/51/23/820025123.db2.gz ONYLCWNTJDJCCJ-UHFFFAOYSA-N 1 1 292.766 3.081 20 10 CGCDMO COc1cnc(C[N@@H+](C)Cc2ccccc2O)c(Cl)c1 ZINC001238494529 820025133 /nfs/dbraw/zinc/02/51/33/820025133.db2.gz ONYLCWNTJDJCCJ-UHFFFAOYSA-N 1 1 292.766 3.081 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](Cc2ccc(N)cc2)C2CC2)cc1 ZINC001352789690 937049635 /nfs/dbraw/zinc/04/96/35/937049635.db2.gz YZHZSKCGYNGHFA-UHFFFAOYSA-N 1 1 295.430 3.499 20 10 CGCDMO [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC001474577068 937206615 /nfs/dbraw/zinc/20/66/15/937206615.db2.gz YEYMZDOSPCSURK-HNNXBMFYSA-N 1 1 299.386 3.390 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC001474577068 937206617 /nfs/dbraw/zinc/20/66/17/937206617.db2.gz YEYMZDOSPCSURK-HNNXBMFYSA-N 1 1 299.386 3.390 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC001474577068 937206619 /nfs/dbraw/zinc/20/66/19/937206619.db2.gz YEYMZDOSPCSURK-HNNXBMFYSA-N 1 1 299.386 3.390 20 10 CGCDMO CC[N@@H+](Cc1cc(F)c(F)cc1[O-])[C@H]1CCOC(C)(C)C1 ZINC001462294804 937630382 /nfs/dbraw/zinc/63/03/82/937630382.db2.gz KHMDDEZPWLMVGA-LBPRGKRZSA-N 1 1 299.361 3.450 20 10 CGCDMO CC[N@H+](Cc1cc(F)c(F)cc1O)[C@H]1CCOC(C)(C)C1 ZINC001462294804 937630385 /nfs/dbraw/zinc/63/03/85/937630385.db2.gz KHMDDEZPWLMVGA-LBPRGKRZSA-N 1 1 299.361 3.450 20 10 CGCDMO CC[N@@H+](Cc1cc(F)c(F)cc1O)[C@H]1CCOC(C)(C)C1 ZINC001462294804 937630387 /nfs/dbraw/zinc/63/03/87/937630387.db2.gz KHMDDEZPWLMVGA-LBPRGKRZSA-N 1 1 299.361 3.450 20 10 CGCDMO COC[C@@H](CC(C)(C)C)[NH2+]Cc1cc(F)c(F)cc1O ZINC001462385386 937636509 /nfs/dbraw/zinc/63/65/09/937636509.db2.gz GWKNVLYJWMFPJY-LLVKDONJSA-N 1 1 287.350 3.211 20 10 CGCDMO CCCOc1ccc(CN[C@@H](C)CC[NH+](C)C)cc1C ZINC001308234782 933078534 /nfs/dbraw/zinc/07/85/34/933078534.db2.gz YAOANBDZFADVHJ-HNNXBMFYSA-N 1 1 278.440 3.214 20 10 CGCDMO CCCOc1ccc(C[NH2+][C@@H](C)CCN(C)C)cc1C ZINC001308234782 933078536 /nfs/dbraw/zinc/07/85/36/933078536.db2.gz YAOANBDZFADVHJ-HNNXBMFYSA-N 1 1 278.440 3.214 20 10 CGCDMO CC1=CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC001308618086 933142655 /nfs/dbraw/zinc/14/26/55/933142655.db2.gz GFQSTAQUIVNSGJ-PLNGDYQASA-N 1 1 256.393 3.418 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC001308626416 933145477 /nfs/dbraw/zinc/14/54/77/933145477.db2.gz AXIQDKAIBAYQDG-LLVKDONJSA-N 1 1 291.782 3.148 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cc1Cl ZINC001308730956 933165842 /nfs/dbraw/zinc/16/58/42/933165842.db2.gz DHUKUBCPFVMKJP-MEDUHNTESA-N 1 1 295.810 3.353 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cc1Cl ZINC001308730956 933165846 /nfs/dbraw/zinc/16/58/46/933165846.db2.gz DHUKUBCPFVMKJP-MEDUHNTESA-N 1 1 295.810 3.353 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CC(C)(C)[C@H]2C2CC2)c1O ZINC001308805339 933180539 /nfs/dbraw/zinc/18/05/39/933180539.db2.gz WRQFKMUHDSIQOV-MRXNPFEDSA-N 1 1 275.392 3.330 20 10 CGCDMO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC001320411273 934045818 /nfs/dbraw/zinc/04/58/18/934045818.db2.gz LDCYTRDFDPVLBH-UXIGCNINSA-N 1 1 297.402 3.119 20 10 CGCDMO C[N@@H+](CCOCC1CC1)Cc1ccc(N2CCCC2)cc1 ZINC001323321296 934387284 /nfs/dbraw/zinc/38/72/84/934387284.db2.gz HCIMWJAOFLZSEF-UHFFFAOYSA-N 1 1 288.435 3.145 20 10 CGCDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C1(C)C ZINC001473187886 937796498 /nfs/dbraw/zinc/79/64/98/937796498.db2.gz UFAXMPKWVSCCNR-SJLPKXTDSA-N 1 1 290.451 3.388 20 10 CGCDMO CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC001332762894 935488270 /nfs/dbraw/zinc/48/82/70/935488270.db2.gz WVQUURCQEUZHRP-UHFFFAOYSA-N 1 1 276.424 3.144 20 10 CGCDMO Nc1ccc(C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)cc1 ZINC001335284933 936137413 /nfs/dbraw/zinc/13/74/13/936137413.db2.gz IHYJKNBEBSHPCZ-LJQANCHMSA-N 1 1 296.414 3.141 20 10 CGCDMO CCCCCOC1C[NH+](Cc2c(C)cc(OC)cc2O)C1 ZINC001474567271 937867785 /nfs/dbraw/zinc/86/77/85/937867785.db2.gz ARMVNGIKBWIWKH-UHFFFAOYSA-N 1 1 293.407 3.100 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H](CF)C1 ZINC001474684207 937874598 /nfs/dbraw/zinc/87/45/98/937874598.db2.gz HPDUQWVDGRRCPR-VIFPVBQESA-N 1 1 275.726 3.366 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H](CF)C1 ZINC001474684207 937874599 /nfs/dbraw/zinc/87/45/99/937874599.db2.gz HPDUQWVDGRRCPR-VIFPVBQESA-N 1 1 275.726 3.366 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]CC1Cc2ccccc2C1 ZINC001474716060 937876779 /nfs/dbraw/zinc/87/67/79/937876779.db2.gz AZJCXQFXTZIJFZ-UHFFFAOYSA-N 1 1 271.335 3.036 20 10 CGCDMO CC[C@@]1(C)C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC001560761176 938274433 /nfs/dbraw/zinc/27/44/33/938274433.db2.gz BJFBHGFWXQORJW-DKFQHHCZSA-N 1 1 288.435 3.267 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC001561016207 938289695 /nfs/dbraw/zinc/28/96/95/938289695.db2.gz QIABVMIQIUIIQH-FGWVZKOKSA-N 1 1 267.369 3.048 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1cc(OC)ccc1O ZINC001203680050 957891518 /nfs/dbraw/zinc/89/15/18/957891518.db2.gz AYQLKMQSEJWBDB-UHFFFAOYSA-N 1 1 287.359 3.129 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000179950785 346254134 /nfs/dbraw/zinc/25/41/34/346254134.db2.gz HKIYRJNYSCAPPV-LBPRGKRZSA-N 1 1 273.298 3.475 20 10 CGCDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2O)o1 ZINC000137064066 371490880 /nfs/dbraw/zinc/49/08/80/371490880.db2.gz OEGKFKDSVCWYCK-OAHLLOKOSA-N 1 1 287.359 3.469 20 10 CGCDMO COCCc1cc[nH+]c(N[C@H](C)c2cc(C)ccc2O)c1 ZINC000287678313 371693397 /nfs/dbraw/zinc/69/33/97/371693397.db2.gz WCRULPOFYWTIEJ-CYBMUJFWSA-N 1 1 286.375 3.458 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(F)cc1O ZINC000159932150 372194227 /nfs/dbraw/zinc/19/42/27/372194227.db2.gz RVFNMFSVTNVUEV-CMPLNLGQSA-N 1 1 267.344 3.140 20 10 CGCDMO CC[C@H](C)[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)OC ZINC000294254210 372628289 /nfs/dbraw/zinc/62/82/89/372628289.db2.gz QEMDVKIAZKVHLT-PGUXBMHVSA-N 1 1 269.360 3.243 20 10 CGCDMO Cc1cc(C)c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c(O)c1 ZINC000296395505 373117023 /nfs/dbraw/zinc/11/70/23/373117023.db2.gz KFRDUGIFGJPVOU-HNSVSWJLSA-N 1 1 288.435 3.285 20 10 CGCDMO Cc1cccc(C[N@H+]2CCn3cccc3[C@H]2C)c1O ZINC000183511994 374423128 /nfs/dbraw/zinc/42/31/28/374423128.db2.gz SUJDXBQEKGIQIK-CYBMUJFWSA-N 1 1 256.349 3.079 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](C)[C@@H](C)c2ccccn2)c1 ZINC000183677142 374440536 /nfs/dbraw/zinc/44/05/36/374440536.db2.gz PLXBDUMYNHFGRS-ZDUSSCGKSA-N 1 1 256.349 3.289 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](C)[C@H](C)c2ccncc2)c1 ZINC000183712191 374445132 /nfs/dbraw/zinc/44/51/32/374445132.db2.gz AXTZPRGJBJDYFW-CYBMUJFWSA-N 1 1 256.349 3.289 20 10 CGCDMO COC(C)(C)C[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185564401 374688650 /nfs/dbraw/zinc/68/86/50/374688650.db2.gz ZFHWHNUWTKVDRT-WDEREUQCSA-N 1 1 269.360 3.386 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](CCCCCCO)C2CC2)cc1 ZINC000267549244 378041750 /nfs/dbraw/zinc/04/17/50/378041750.db2.gz XLTHRMJRUBDDSB-UHFFFAOYSA-N 1 1 290.451 3.270 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)C2Cc3ccccc3C2)c1 ZINC000271696139 378501163 /nfs/dbraw/zinc/50/11/63/378501163.db2.gz BBZKULQNQZTVDX-UHFFFAOYSA-N 1 1 283.371 3.000 20 10 CGCDMO COCC[N@H+](Cc1ccc(C)o1)Cc1cccc(F)c1O ZINC000272215637 378587234 /nfs/dbraw/zinc/58/72/34/378587234.db2.gz BCGGFHVRDQOULU-UHFFFAOYSA-N 1 1 293.338 3.081 20 10 CGCDMO COCC[N@@H+](Cc1ccc(C)o1)Cc1cccc(F)c1O ZINC000272215637 378587243 /nfs/dbraw/zinc/58/72/43/378587243.db2.gz BCGGFHVRDQOULU-UHFFFAOYSA-N 1 1 293.338 3.081 20 10 CGCDMO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Cl)ccc1O ZINC000273394035 378743762 /nfs/dbraw/zinc/74/37/62/378743762.db2.gz LOBQPZHYMOICDF-CQDKDKBSSA-N 1 1 294.826 3.323 20 10 CGCDMO C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(Cl)ccc1O ZINC000273394035 378743767 /nfs/dbraw/zinc/74/37/67/378743767.db2.gz LOBQPZHYMOICDF-CQDKDKBSSA-N 1 1 294.826 3.323 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCCOC(C)(C)C2)cc1C ZINC000371733080 379174405 /nfs/dbraw/zinc/17/44/05/379174405.db2.gz RVEMEZPVWWFUNM-UHFFFAOYSA-N 1 1 263.381 3.010 20 10 CGCDMO CCOC(CC[NH2+][C@H](CC)c1ccc(F)cc1O)OCC ZINC000286378608 380205843 /nfs/dbraw/zinc/20/58/43/380205843.db2.gz AOGNBCAKRZBLQI-CQSZACIVSA-N 1 1 299.386 3.361 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(F)cc1O ZINC000285532761 380150535 /nfs/dbraw/zinc/15/05/35/380150535.db2.gz FOOBYXNTKIZUDO-DOTOQJQBSA-N 1 1 289.350 3.306 20 10 CGCDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(N(C)C)cc2)no1 ZINC000362379433 381965218 /nfs/dbraw/zinc/96/52/18/381965218.db2.gz IIMVPLKLNSCKHH-KRWDZBQOSA-N 1 1 285.391 3.386 20 10 CGCDMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(N(C)C)cc2)no1 ZINC000362379433 381965226 /nfs/dbraw/zinc/96/52/26/381965226.db2.gz IIMVPLKLNSCKHH-KRWDZBQOSA-N 1 1 285.391 3.386 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](OC)C[C@H]2C)c1O ZINC000282175432 392284278 /nfs/dbraw/zinc/28/42/78/392284278.db2.gz FFZHHQXVAQGNLZ-MFKMUULPSA-N 1 1 299.798 3.054 20 10 CGCDMO CCc1cc(NCc2ccc(N(C)C)cc2C)nc(C)[nH+]1 ZINC000302069886 392608911 /nfs/dbraw/zinc/60/89/11/392608911.db2.gz XXQZBJUBXKBKDX-UHFFFAOYSA-N 1 1 284.407 3.334 20 10 CGCDMO CC1(C)CC(NCc2ccc3c(c2)CCO3)CC(C)(C)[NH2+]1 ZINC000037362851 260094908 /nfs/dbraw/zinc/09/49/08/260094908.db2.gz HQSCPKABGJJWFV-UHFFFAOYSA-N 1 1 288.435 3.020 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)[C@H](C)c2cccc(O)c2)c1 ZINC000180178941 261845373 /nfs/dbraw/zinc/84/53/73/261845373.db2.gz UFSIUFPOUHVTOH-GFCCVEGCSA-N 1 1 287.359 3.299 20 10 CGCDMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1cc(F)ccc1O ZINC000183724114 261985851 /nfs/dbraw/zinc/98/58/51/261985851.db2.gz NQIHYEFXBPXOIJ-NSHDSACASA-N 1 1 260.312 3.119 20 10 CGCDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000184985382 262035700 /nfs/dbraw/zinc/03/57/00/262035700.db2.gz DVCXQLKOQYGTIJ-WCQYABFASA-N 1 1 279.380 3.030 20 10 CGCDMO CC[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000278257823 280844560 /nfs/dbraw/zinc/84/45/60/280844560.db2.gz NHLAVZUUWLJWSY-JGVFFNPUSA-N 1 1 278.179 3.121 20 10 CGCDMO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000218120800 290019274 /nfs/dbraw/zinc/01/92/74/290019274.db2.gz NJUWQDIQQFJUAB-QGTPRVQTSA-N 1 1 287.451 3.030 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000218120800 290019277 /nfs/dbraw/zinc/01/92/77/290019277.db2.gz NJUWQDIQQFJUAB-QGTPRVQTSA-N 1 1 287.451 3.030 20 10 CGCDMO C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000218120944 290053035 /nfs/dbraw/zinc/05/30/35/290053035.db2.gz NJUWQDIQQFJUAB-WBAXXEDZSA-N 1 1 287.451 3.030 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000218120944 290053040 /nfs/dbraw/zinc/05/30/40/290053040.db2.gz NJUWQDIQQFJUAB-WBAXXEDZSA-N 1 1 287.451 3.030 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000377835315 329031268 /nfs/dbraw/zinc/03/12/68/329031268.db2.gz SKFGOSHKAYMXNQ-JKSUJKDBSA-N 1 1 289.419 3.339 20 10 CGCDMO CC1(C)[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)[C@H]2CCO[C@H]21 ZINC000253354011 329962417 /nfs/dbraw/zinc/96/24/17/329962417.db2.gz XTILVSSKXSGNGX-GFWSLJDESA-N 1 1 299.773 3.088 20 10 CGCDMO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000251705649 334367742 /nfs/dbraw/zinc/36/77/42/334367742.db2.gz PBWIGZJHVHVKLH-LESCRADOSA-N 1 1 287.451 3.030 20 10 CGCDMO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000251705649 334367744 /nfs/dbraw/zinc/36/77/44/334367744.db2.gz PBWIGZJHVHVKLH-LESCRADOSA-N 1 1 287.451 3.030 20 10 CGCDMO CCOC1CC2(C1)CC[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC000289762008 521654341 /nfs/dbraw/zinc/65/43/41/521654341.db2.gz QZXDDXULQCQRCX-UHFFFAOYSA-N 1 1 295.810 3.437 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](CC2CCOCC2)C2CC2)cc1 ZINC000264837668 522172270 /nfs/dbraw/zinc/17/22/70/522172270.db2.gz TYTAKQVJRHNCGH-UHFFFAOYSA-N 1 1 288.435 3.144 20 10 CGCDMO CCc1nnc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)s1 ZINC000290076135 522741230 /nfs/dbraw/zinc/74/12/30/522741230.db2.gz GMHRWHPZXGDWSV-QMMMGPOBSA-N 1 1 297.811 3.310 20 10 CGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC000280302405 523806828 /nfs/dbraw/zinc/80/68/28/523806828.db2.gz PAMGPIHGNIGLGY-HNNXBMFYSA-N 1 1 283.799 3.437 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1 ZINC000290997493 525338862 /nfs/dbraw/zinc/33/88/62/525338862.db2.gz AQEWWBFVUOJFOZ-CVEARBPZSA-N 1 1 275.392 3.090 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCCc3occc3C2)c1 ZINC000290100308 525342555 /nfs/dbraw/zinc/34/25/55/525342555.db2.gz HOMYRYLWSXBACV-UHFFFAOYSA-N 1 1 257.333 3.242 20 10 CGCDMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1cccnc1 ZINC000062745038 525531623 /nfs/dbraw/zinc/53/16/23/525531623.db2.gz NSVVVCZUSXBFMV-QWRGUYRKSA-N 1 1 260.312 3.338 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1ccc(F)cc1O ZINC000062745040 525617913 /nfs/dbraw/zinc/61/79/13/525617913.db2.gz NSVVVCZUSXBFMV-WDEREUQCSA-N 1 1 260.312 3.338 20 10 CGCDMO C[C@@H](O)C[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000249543244 525786999 /nfs/dbraw/zinc/78/69/99/525786999.db2.gz JTUPAVJKOIFPKH-HUUCEWRRSA-N 1 1 285.387 3.336 20 10 CGCDMO Cc1noc(C)c1C(C)(C)[NH2+]Cc1cccc(F)c1O ZINC000289960779 526476850 /nfs/dbraw/zinc/47/68/50/526476850.db2.gz YLBXMHDDSXQTGU-UHFFFAOYSA-N 1 1 278.327 3.161 20 10 CGCDMO CC(C)[C@@H]1CN(C)CC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000738285945 572369457 /nfs/dbraw/zinc/36/94/57/572369457.db2.gz RBSAPQWODLIYIA-SFHVURJKSA-N 1 1 298.430 3.317 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)CCS1 ZINC000743397643 572656156 /nfs/dbraw/zinc/65/61/56/572656156.db2.gz QGFIPZMMYWCFDZ-CYBMUJFWSA-N 1 1 288.416 3.268 20 10 CGCDMO C[C@H]1CCCC[N@H+]1CCCNCc1c(O)cccc1Cl ZINC000083551539 618009317 /nfs/dbraw/zinc/00/93/17/618009317.db2.gz DEGOQRGAULPNHT-ZDUSSCGKSA-N 1 1 296.842 3.400 20 10 CGCDMO CC(C)C[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000307771486 618077016 /nfs/dbraw/zinc/07/70/16/618077016.db2.gz GMSBEBCFLCBRHM-GFCCVEGCSA-N 1 1 251.345 3.399 20 10 CGCDMO CC(C)C[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000307771486 618077021 /nfs/dbraw/zinc/07/70/21/618077021.db2.gz GMSBEBCFLCBRHM-GFCCVEGCSA-N 1 1 251.345 3.399 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1nccc2c1CCCC2 ZINC000891714099 618254739 /nfs/dbraw/zinc/25/47/39/618254739.db2.gz RRMPNWGIFICUDP-UHFFFAOYSA-N 1 1 282.387 3.298 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@H](OCC(C)C)C2)c1O ZINC000091964307 618486215 /nfs/dbraw/zinc/48/62/15/618486215.db2.gz OYJKKEXTXUHVNW-HNNXBMFYSA-N 1 1 293.407 3.038 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H]2CN2CCCC2)c1 ZINC000178891115 618712781 /nfs/dbraw/zinc/71/27/81/618712781.db2.gz FIHAFCDDPHIODL-QGZVFWFLSA-N 1 1 288.435 3.069 20 10 CGCDMO Cc1cc(C)c(O)c(CN2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000178891115 618712784 /nfs/dbraw/zinc/71/27/84/618712784.db2.gz FIHAFCDDPHIODL-QGZVFWFLSA-N 1 1 288.435 3.069 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000246372015 618721986 /nfs/dbraw/zinc/72/19/86/618721986.db2.gz ZMFUDLLGVCBXKL-SFHVURJKSA-N 1 1 296.414 3.189 20 10 CGCDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000184984839 625286977 /nfs/dbraw/zinc/28/69/77/625286977.db2.gz AJPGVFLRTNNSHX-GXTWGEPZSA-N 1 1 263.381 3.330 20 10 CGCDMO C[C@@H]([NH2+]Cc1cccc(F)c1O)c1ccsc1 ZINC000158761669 618734854 /nfs/dbraw/zinc/73/48/54/618734854.db2.gz AZXRBULUNOZCRI-SECBINFHSA-N 1 1 251.326 3.444 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C)c1ccc(F)cc1O ZINC000840873066 618739109 /nfs/dbraw/zinc/73/91/09/618739109.db2.gz QGGRSBXBMQJFID-YXMPFFBPSA-N 1 1 281.371 3.386 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)c1ccc(F)cc1O ZINC000840874736 618745253 /nfs/dbraw/zinc/74/52/53/618745253.db2.gz CTKXBJNGVBEBIH-ZWKOPEQDSA-N 1 1 255.308 3.463 20 10 CGCDMO COc1cccc(CC[NH2+][C@H](C)c2ccc(F)cc2O)c1 ZINC000185040398 625298466 /nfs/dbraw/zinc/29/84/66/625298466.db2.gz UHMZJMCVVDTWCF-GFCCVEGCSA-N 1 1 289.350 3.433 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)Cc2ccccn2)c(Cl)c1 ZINC000840938368 619227953 /nfs/dbraw/zinc/22/79/53/619227953.db2.gz CGQMPNOTLGRRDA-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2ccccn2)c(Cl)c1 ZINC000840938368 619227955 /nfs/dbraw/zinc/22/79/55/619227955.db2.gz CGQMPNOTLGRRDA-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO COCCC[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000066371343 619284306 /nfs/dbraw/zinc/28/43/06/619284306.db2.gz XRGMNFIJZWZZLX-UHFFFAOYSA-N 1 1 259.349 3.014 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](CO)[C@H]2C)cc1 ZINC000840977335 619308787 /nfs/dbraw/zinc/30/87/87/619308787.db2.gz HIFBDEGWRCVAPT-NVXWUHKLSA-N 1 1 290.451 3.126 20 10 CGCDMO Cc1ncoc1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000893929434 619334849 /nfs/dbraw/zinc/33/48/49/619334849.db2.gz SKMDXUABYSWTHA-UHFFFAOYSA-N 1 1 285.391 3.214 20 10 CGCDMO CC[N@@H+](Cc1ccoc1)Cc1cc(C)cc(OC)c1O ZINC000893993329 619344874 /nfs/dbraw/zinc/34/48/74/619344874.db2.gz OKXJMJFVWOBTDU-UHFFFAOYSA-N 1 1 275.348 3.324 20 10 CGCDMO CCCO[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)CC1 ZINC000894017319 619350906 /nfs/dbraw/zinc/35/09/06/619350906.db2.gz LRSZSHIKASPGRE-AWEZNQCLSA-N 1 1 299.361 3.452 20 10 CGCDMO CCCO[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)CC1 ZINC000894017319 619350909 /nfs/dbraw/zinc/35/09/09/619350909.db2.gz LRSZSHIKASPGRE-AWEZNQCLSA-N 1 1 299.361 3.452 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC23CCCC3)c1O ZINC000895134063 619747781 /nfs/dbraw/zinc/74/77/81/619747781.db2.gz USIJGRIQSQLLFA-UHFFFAOYSA-N 1 1 261.365 3.228 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895842733 619892848 /nfs/dbraw/zinc/89/28/48/619892848.db2.gz FHVOESFPFMKNRL-ABAIWWIYSA-N 1 1 281.783 3.047 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000896638582 620041282 /nfs/dbraw/zinc/04/12/82/620041282.db2.gz VXRFIJFYTHFCNX-UHFFFAOYSA-N 1 1 293.382 3.360 20 10 CGCDMO CCCN(CCC)c1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2C)cc1 ZINC000788270311 620072432 /nfs/dbraw/zinc/07/24/32/620072432.db2.gz QWKMSIILPDRXBV-YJBOKZPZSA-N 1 1 290.451 3.268 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](Cc3nccs3)C2)c1 ZINC000898071970 620476825 /nfs/dbraw/zinc/47/68/25/620476825.db2.gz WHCJFGBUWSFSBV-CYBMUJFWSA-N 1 1 288.416 3.222 20 10 CGCDMO C[C@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1c(O)cccc1F ZINC000903281207 621660845 /nfs/dbraw/zinc/66/08/45/621660845.db2.gz YYHKRNKHCWUGJL-LLMNLENHSA-N 1 1 279.355 3.140 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1cncs1 ZINC000903305375 621679315 /nfs/dbraw/zinc/67/93/15/621679315.db2.gz LKUGVBMVONEQSS-BDAKNGLRSA-N 1 1 266.341 3.400 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCSC[C@@H]2C)cc1 ZINC000769428233 625568046 /nfs/dbraw/zinc/56/80/46/625568046.db2.gz NUQXAWKYLJMWAG-AWEZNQCLSA-N 1 1 278.465 3.470 20 10 CGCDMO C[C@@H]([NH2+]CC1(N(C)C)CCCCC1)c1ccc(F)cc1O ZINC000062744961 623264917 /nfs/dbraw/zinc/26/49/17/623264917.db2.gz NKHJLCFUBCNQBV-CYBMUJFWSA-N 1 1 294.414 3.446 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)CCS1 ZINC000173508610 623329674 /nfs/dbraw/zinc/32/96/74/623329674.db2.gz ORENDPOANKDCDO-HNNXBMFYSA-N 1 1 277.433 3.208 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)C[C@H]2CCCO2)cc1C(C)C ZINC000151745524 623562942 /nfs/dbraw/zinc/56/29/42/623562942.db2.gz UYAASCAZWIPPGV-OAHLLOKOSA-N 1 1 277.408 3.435 20 10 CGCDMO C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@H]1CCCO1 ZINC000151758121 623564054 /nfs/dbraw/zinc/56/40/54/623564054.db2.gz VWJWEXYOFBLQGD-CQSZACIVSA-N 1 1 293.407 3.006 20 10 CGCDMO COc1ccccc1CC[N@@H+](C)Cc1ccccc1O ZINC000179570729 624663763 /nfs/dbraw/zinc/66/37/63/624663763.db2.gz BCYIOHSXWXRULD-UHFFFAOYSA-N 1 1 271.360 3.075 20 10 CGCDMO Oc1ccc(F)cc1C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000180150233 624719807 /nfs/dbraw/zinc/71/98/07/624719807.db2.gz JVJIINPXUCOMRQ-UHFFFAOYSA-N 1 1 275.298 3.229 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCc2ccc(F)cc2C1 ZINC000180150233 624719816 /nfs/dbraw/zinc/71/98/16/624719816.db2.gz JVJIINPXUCOMRQ-UHFFFAOYSA-N 1 1 275.298 3.229 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](CC(C)C)C2)c1 ZINC000180199774 624726600 /nfs/dbraw/zinc/72/66/00/624726600.db2.gz RNZRORVZNMTLBF-CYBMUJFWSA-N 1 1 263.381 3.269 20 10 CGCDMO Cc1ncsc1C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000071213057 625065282 /nfs/dbraw/zinc/06/52/82/625065282.db2.gz KSSQDQFEQUTOIB-MRVPVSSYSA-N 1 1 266.341 3.147 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C)C2)c1O ZINC000184671970 625261229 /nfs/dbraw/zinc/26/12/29/625261229.db2.gz GTUVKYOOSQSING-JTQLQIEISA-N 1 1 269.772 3.286 20 10 CGCDMO CCOC[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000839170675 626324976 /nfs/dbraw/zinc/32/49/76/626324976.db2.gz RUDKOUSKSVDNPK-KRWDZBQOSA-N 1 1 276.424 3.144 20 10 CGCDMO CC[N@@H+](Cc1ccccn1)Cc1c(O)ccc2ccncc21 ZINC000753103876 626445509 /nfs/dbraw/zinc/44/55/09/626445509.db2.gz UBPSVZKCKOYLEK-UHFFFAOYSA-N 1 1 293.370 3.358 20 10 CGCDMO C[C@@H]1CSCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000754156536 626561580 /nfs/dbraw/zinc/56/15/80/626561580.db2.gz SDYFYTIFLQUISD-VIFPVBQESA-N 1 1 289.803 3.370 20 10 CGCDMO C[C@@H]1CSCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000754156536 626561583 /nfs/dbraw/zinc/56/15/83/626561583.db2.gz SDYFYTIFLQUISD-VIFPVBQESA-N 1 1 289.803 3.370 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)C2Cc3ccccc3C2)c1O ZINC000754722083 626584567 /nfs/dbraw/zinc/58/45/67/626584567.db2.gz BSJQUVAUFRXAGR-UHFFFAOYSA-N 1 1 297.398 3.308 20 10 CGCDMO CC[C@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000755922832 626661321 /nfs/dbraw/zinc/66/13/21/626661321.db2.gz JVHZPGSFQDXJQH-LBPRGKRZSA-N 1 1 256.349 3.172 20 10 CGCDMO CC(C)c1nnc(C[NH2+]Cc2ccc(N(C)C)cc2)s1 ZINC000756140590 626680595 /nfs/dbraw/zinc/68/05/95/626680595.db2.gz PAOMWQRVEGCUJH-UHFFFAOYSA-N 1 1 290.436 3.017 20 10 CGCDMO C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)c1cccnc1 ZINC000756355646 626695290 /nfs/dbraw/zinc/69/52/90/626695290.db2.gz QFIJFJGBLIUYOA-NXEZZACHSA-N 1 1 278.302 3.477 20 10 CGCDMO Cc1csc(CC[NH2+][C@H](C)c2cc(F)cc(F)c2O)n1 ZINC000756399752 626701584 /nfs/dbraw/zinc/70/15/84/626701584.db2.gz GOMZBQVDGWHWMI-SECBINFHSA-N 1 1 298.358 3.329 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H](C)C2)c1 ZINC000756467786 626707790 /nfs/dbraw/zinc/70/77/90/626707790.db2.gz YONSOJCQUCVOKF-SGMGOOAPSA-N 1 1 291.391 3.408 20 10 CGCDMO Cc1occc1C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756483756 626709054 /nfs/dbraw/zinc/70/90/54/626709054.db2.gz XJWTUJAZKKDADY-MRVPVSSYSA-N 1 1 267.275 3.423 20 10 CGCDMO C[C@@H]([NH2+]CCOC1CCCC1)c1cc(F)cc(F)c1O ZINC000756490662 626709278 /nfs/dbraw/zinc/70/92/78/626709278.db2.gz QQTILEDJPHTAGL-SNVBAGLBSA-N 1 1 285.334 3.280 20 10 CGCDMO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(C)C2)c2c1c(F)ccc2O ZINC000756550563 626714114 /nfs/dbraw/zinc/71/41/14/626714114.db2.gz IYLPKEIKYHQCAZ-DYEKYZERSA-N 1 1 292.398 3.011 20 10 CGCDMO C[C@H]([NH2+]CCOC(C)(C)C)c1cc(F)cc(F)c1O ZINC000756816918 626734404 /nfs/dbraw/zinc/73/44/04/626734404.db2.gz CYANRXXWFDWBNJ-VIFPVBQESA-N 1 1 273.323 3.136 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000768236605 627470268 /nfs/dbraw/zinc/47/02/68/627470268.db2.gz HEDHDDUECPOGSK-IBGZPJMESA-N 1 1 296.414 3.326 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H]1CC(C)C ZINC000768317219 627473550 /nfs/dbraw/zinc/47/35/50/627473550.db2.gz HADOUJNJDYIFMR-ZDUSSCGKSA-N 1 1 263.381 3.411 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C2CC2)cc1F ZINC000768334363 627473687 /nfs/dbraw/zinc/47/36/87/627473687.db2.gz GAKYUQSYVGRWHX-UHFFFAOYSA-N 1 1 250.361 3.266 20 10 CGCDMO CCC[C@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000768439070 627480016 /nfs/dbraw/zinc/48/00/16/627480016.db2.gz GBKWWKRZMJEKOU-NSHDSACASA-N 1 1 267.369 3.030 20 10 CGCDMO CCC1(CC)CC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000768464424 627481475 /nfs/dbraw/zinc/48/14/75/627481475.db2.gz QZKYMHOPHSFQQN-UHFFFAOYSA-N 1 1 293.407 3.422 20 10 CGCDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000768463963 627481480 /nfs/dbraw/zinc/48/14/80/627481480.db2.gz YCVPNHKGBNLERK-DYVFJYSZSA-N 1 1 289.419 3.006 20 10 CGCDMO COc1cccc(C[N@H+]2CCOc3ccccc3[C@H]2C)c1O ZINC000768930194 627509669 /nfs/dbraw/zinc/50/96/69/627509669.db2.gz MNKPHLBYRMQJGW-CYBMUJFWSA-N 1 1 299.370 3.356 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000769426792 627551136 /nfs/dbraw/zinc/55/11/36/627551136.db2.gz WXKKSGWRTXEOTR-IYBDPMFKSA-N 1 1 258.409 3.375 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](C)C[C@H]2CC)c1 ZINC000769447742 627553800 /nfs/dbraw/zinc/55/38/00/627553800.db2.gz KHVRSLAIPMZRAS-TZMCWYRMSA-N 1 1 263.381 3.411 20 10 CGCDMO CC[N@H+]1CC[C@H](N(C)Cc2c(O)cccc2Cl)C[C@H]1C ZINC000769469665 627556550 /nfs/dbraw/zinc/55/65/50/627556550.db2.gz CMKJVZATJWRVEH-OLZOCXBDSA-N 1 1 296.842 3.350 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H](C)COC)cc1 ZINC000769534557 627563566 /nfs/dbraw/zinc/56/35/66/627563566.db2.gz WDUAUHIYLRMCKF-HNNXBMFYSA-N 1 1 278.440 3.247 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)n1 ZINC000771935492 627746730 /nfs/dbraw/zinc/74/67/30/627746730.db2.gz WASPZIYOGUEBKD-UHFFFAOYSA-N 1 1 299.418 3.178 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000771940802 627748205 /nfs/dbraw/zinc/74/82/05/627748205.db2.gz WOYBPTQZGYSRRO-HNNXBMFYSA-N 1 1 269.344 3.348 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](COC)C2)cc1 ZINC000773756365 627911376 /nfs/dbraw/zinc/91/13/76/627911376.db2.gz KNNDEZVSAAFQDW-INIZCTEOSA-N 1 1 276.424 3.001 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000773807389 627916581 /nfs/dbraw/zinc/91/65/81/627916581.db2.gz XWUYCOWHBZGVMH-OAHLLOKOSA-N 1 1 264.438 3.080 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCCSCC2)cc1 ZINC000773808358 627916911 /nfs/dbraw/zinc/91/69/11/627916911.db2.gz KZUWDQWDQOAZLI-UHFFFAOYSA-N 1 1 264.438 3.082 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H]2c2cc(C)no2)c1 ZINC000775655646 628119795 /nfs/dbraw/zinc/11/97/95/628119795.db2.gz JPBPPRGJMRFKCR-AWEZNQCLSA-N 1 1 288.347 3.034 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+](CCO)CC(C)(C)C)c1O ZINC000775681062 628124841 /nfs/dbraw/zinc/12/48/41/628124841.db2.gz MQNFJRYQNVAVHA-UHFFFAOYSA-N 1 1 285.815 3.194 20 10 CGCDMO CCCC[N@H+](C)C[C@@H](C)N[C@@H](C)c1cc(F)ccc1O ZINC000810244954 628243159 /nfs/dbraw/zinc/24/31/59/628243159.db2.gz LHESSQSVTRQRBD-OLZOCXBDSA-N 1 1 282.403 3.302 20 10 CGCDMO CCCC[N@@H+](C)C[C@@H](C)N[C@@H](C)c1cc(F)ccc1O ZINC000810244954 628243160 /nfs/dbraw/zinc/24/31/60/628243160.db2.gz LHESSQSVTRQRBD-OLZOCXBDSA-N 1 1 282.403 3.302 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H]1CCO[C@H](C)C1 ZINC000779002057 628382707 /nfs/dbraw/zinc/38/27/07/628382707.db2.gz JQILVDSTYLZBBT-HUUCEWRRSA-N 1 1 277.408 3.419 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000779022795 628383158 /nfs/dbraw/zinc/38/31/58/628383158.db2.gz GVDLUWHYQVKPGK-MRXNPFEDSA-N 1 1 271.335 3.348 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781532385 628569074 /nfs/dbraw/zinc/56/90/74/628569074.db2.gz PIWOANJPUIKDEB-SECBINFHSA-N 1 1 291.725 3.249 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H]2C)c1 ZINC000781914468 628604853 /nfs/dbraw/zinc/60/48/53/628604853.db2.gz XQIFMQQBVJBDJT-SNVBAGLBSA-N 1 1 284.197 3.447 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H]2C)c1 ZINC000781914468 628604855 /nfs/dbraw/zinc/60/48/55/628604855.db2.gz XQIFMQQBVJBDJT-SNVBAGLBSA-N 1 1 284.197 3.447 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@]3(CC[C@H](C)C3)C2)c1 ZINC000781929928 628606185 /nfs/dbraw/zinc/60/61/85/628606185.db2.gz TVXAPYKKSVXKHA-SUMWQHHRSA-N 1 1 275.392 3.413 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H](C)C2)c1 ZINC000783306269 628701788 /nfs/dbraw/zinc/70/17/88/628701788.db2.gz GBPYNBKANDMNIU-GMXVVIOVSA-N 1 1 277.364 3.018 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1Cc2ccccc2OC[C@@H]1C ZINC000783598485 628730206 /nfs/dbraw/zinc/73/02/06/628730206.db2.gz SZKBWTCOWREXPI-ZDUSSCGKSA-N 1 1 299.370 3.184 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)c1O ZINC000783738360 628744733 /nfs/dbraw/zinc/74/47/33/628744733.db2.gz SDDNAQLSNRFMGO-QJPTWQEYSA-N 1 1 283.799 3.352 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)c1O ZINC000783738360 628744735 /nfs/dbraw/zinc/74/47/35/628744735.db2.gz SDDNAQLSNRFMGO-QJPTWQEYSA-N 1 1 283.799 3.352 20 10 CGCDMO COc1cc(C[N@@H+](C)C[C@@H]2CC=CCC2)c(O)cc1C ZINC000784010059 628765022 /nfs/dbraw/zinc/76/50/22/628765022.db2.gz MSBCOKKQZZNJCE-CQSZACIVSA-N 1 1 275.392 3.497 20 10 CGCDMO Oc1ccccc1C[N@@H+](CCOCC(F)F)C1CCCC1 ZINC000787246300 629004363 /nfs/dbraw/zinc/00/43/63/629004363.db2.gz MIUIGKLRXSQSKG-UHFFFAOYSA-N 1 1 299.361 3.419 20 10 CGCDMO C[C@H]([NH2+]CC1(C)COC1)c1cccc(C(F)(F)F)c1O ZINC000788603095 629068459 /nfs/dbraw/zinc/06/84/59/629068459.db2.gz DTCYNVZTXZUHOG-VIFPVBQESA-N 1 1 289.297 3.098 20 10 CGCDMO CC[C@H](O)CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788629378 629070317 /nfs/dbraw/zinc/07/03/17/629070317.db2.gz AVFPMXYUDVAGAG-ZJUUUORDSA-N 1 1 291.313 3.223 20 10 CGCDMO CO[C@@H](C)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788754258 629079047 /nfs/dbraw/zinc/07/90/47/629079047.db2.gz AWBXVWYWRXUZFC-DTWKUNHWSA-N 1 1 277.286 3.097 20 10 CGCDMO C[C@@H]1CCSCC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000790482303 629213203 /nfs/dbraw/zinc/21/32/03/629213203.db2.gz VZFNQVLQAQFBSU-GFCCVEGCSA-N 1 1 288.416 3.268 20 10 CGCDMO Cc1c(C[N@@H+](C)Cc2cc(Cl)cc(C)c2O)cnn1C ZINC000790938614 629241982 /nfs/dbraw/zinc/24/19/82/629241982.db2.gz LFAOWJFOWODONK-UHFFFAOYSA-N 1 1 293.798 3.028 20 10 CGCDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000790934290 629241996 /nfs/dbraw/zinc/24/19/96/629241996.db2.gz JTRNMIXARRXQNA-UKRRQHHQSA-N 1 1 294.414 3.017 20 10 CGCDMO CCOC(C)(C)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790993352 629247925 /nfs/dbraw/zinc/24/79/25/629247925.db2.gz UFSBASZKCUCXDY-UHFFFAOYSA-N 1 1 275.751 3.089 20 10 CGCDMO CC(C)[C@@H]1CC[N@H+]1Cc1c(O)cccc1Br ZINC000862262349 629333159 /nfs/dbraw/zinc/33/31/59/629333159.db2.gz XNFJONIVPHMGLB-LBPRGKRZSA-N 1 1 284.197 3.385 20 10 CGCDMO C[C@@H]1C[NH+](Cc2c(O)ccc(Cl)c2F)C[C@H]1C ZINC000792164711 629341064 /nfs/dbraw/zinc/34/10/64/629341064.db2.gz CGCZBJPPKAVGSI-RKDXNWHRSA-N 1 1 257.736 3.273 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000792171088 629343193 /nfs/dbraw/zinc/34/31/93/629343193.db2.gz XPVSYPILLJPDQE-MFKMUULPSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000792171088 629343200 /nfs/dbraw/zinc/34/32/00/629343200.db2.gz XPVSYPILLJPDQE-MFKMUULPSA-N 1 1 299.773 3.186 20 10 CGCDMO COCC[N@@H+](Cc1c(O)cccc1OC)[C@@H]1CC[C@@H](C)C1 ZINC000792193000 629348100 /nfs/dbraw/zinc/34/81/00/629348100.db2.gz PHKLYEQMGJBQIM-ZIAGYGMSSA-N 1 1 293.407 3.038 20 10 CGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862439954 629373380 /nfs/dbraw/zinc/37/33/80/629373380.db2.gz CGBKPOQUJGLJEN-IYBDPMFKSA-N 1 1 256.393 3.129 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](CC2(F)CC2)C2CC2)cc1 ZINC000792780424 629381477 /nfs/dbraw/zinc/38/14/77/629381477.db2.gz PHWYINNBWQUQRV-UHFFFAOYSA-N 1 1 262.372 3.219 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCCC3(CC3)CC2)c1 ZINC000862538642 629395076 /nfs/dbraw/zinc/39/50/76/629395076.db2.gz CMXJXLPVZRNKOD-UHFFFAOYSA-N 1 1 261.365 3.167 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH+]2[C@@H](C)C[C@@H]2C)c1 ZINC000793227279 629431546 /nfs/dbraw/zinc/43/15/46/629431546.db2.gz AXVFAKPPAITRJT-UWVGGRQHSA-N 1 1 284.197 3.446 20 10 CGCDMO CCc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c(O)c(C(C)(C)C)c1 ZINC000793618350 629491197 /nfs/dbraw/zinc/49/11/97/629491197.db2.gz LHXKIWZLELLBGX-JKSUJKDBSA-N 1 1 289.419 3.225 20 10 CGCDMO CCc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c(O)c(C(C)(C)C)c1 ZINC000793618350 629491200 /nfs/dbraw/zinc/49/12/00/629491200.db2.gz LHXKIWZLELLBGX-JKSUJKDBSA-N 1 1 289.419 3.225 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c1 ZINC000794656281 629564352 /nfs/dbraw/zinc/56/43/52/629564352.db2.gz SRVHAIWJMGNHLF-CZUORRHYSA-N 1 1 275.392 3.008 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(Cl)c1[O-] ZINC000863544804 629603888 /nfs/dbraw/zinc/60/38/88/629603888.db2.gz BQRJYRHBCVYKNF-GYSYKLTISA-N 1 1 282.815 3.227 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](CCCCF)C2CC2)cc1 ZINC000795869567 629722681 /nfs/dbraw/zinc/72/26/81/629722681.db2.gz WBYOROAWQGQSSW-UHFFFAOYSA-N 1 1 264.388 3.467 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC(C)=C(C)C2)c1O ZINC000796590829 629804584 /nfs/dbraw/zinc/80/45/84/629804584.db2.gz XIVWZXVFKJVAGC-UHFFFAOYSA-N 1 1 277.339 3.276 20 10 CGCDMO CCCN(CC)CC[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000796778666 629831808 /nfs/dbraw/zinc/83/18/08/629831808.db2.gz IFJINGGEIYOCHO-OAHLLOKOSA-N 1 1 282.403 3.304 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1OC)c1ccc(F)cc1O ZINC000796856706 629849070 /nfs/dbraw/zinc/84/90/70/629849070.db2.gz WSLFGFFDMAMPND-HZUKXOBISA-N 1 1 281.371 3.387 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1ccc(F)cc1O ZINC000796947955 629863793 /nfs/dbraw/zinc/86/37/93/629863793.db2.gz KVSFGFBBQIIDDT-CQDKDKBSSA-N 1 1 281.371 3.123 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CSC[C@H]1C)c1ccc(F)cc1O ZINC000797064646 629880776 /nfs/dbraw/zinc/88/07/76/629880776.db2.gz HRVSOGNGQPPUCW-ICCXJUOJSA-N 1 1 269.385 3.324 20 10 CGCDMO CCC[N@@H+](Cc1cnc(Cl)cn1)Cc1ccccc1O ZINC000799125997 630149315 /nfs/dbraw/zinc/14/93/15/630149315.db2.gz XECAAYTVKOXAKP-UHFFFAOYSA-N 1 1 291.782 3.248 20 10 CGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)c1nc(C)no1 ZINC000801596866 630346632 /nfs/dbraw/zinc/34/66/32/630346632.db2.gz RGMKFABLTTTYOV-LBPRGKRZSA-N 1 1 289.379 3.447 20 10 CGCDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@@H](F)C3)c2c1 ZINC000840103777 630595082 /nfs/dbraw/zinc/59/50/82/630595082.db2.gz FOSAHVFEUAIDBB-GFCCVEGCSA-N 1 1 275.323 3.098 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@]3(CCOC3)C2)c1 ZINC000840141491 630657069 /nfs/dbraw/zinc/65/70/69/630657069.db2.gz PZDRQIFYZAZJTE-KRWDZBQOSA-N 1 1 275.392 3.012 20 10 CGCDMO Cc1cccc(C[N@H+](C)Cc2ccccc2N(C)C)c1O ZINC000809788150 630809861 /nfs/dbraw/zinc/80/98/61/630809861.db2.gz OJLDKVRQIIITEH-UHFFFAOYSA-N 1 1 284.403 3.399 20 10 CGCDMO CN(C)c1ccccc1C[N@@H+](C)Cc1cc(F)ccc1O ZINC000809788474 630809898 /nfs/dbraw/zinc/80/98/98/630809898.db2.gz ROXOXNAVRKIWTH-UHFFFAOYSA-N 1 1 288.366 3.229 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)CCC1(F)F ZINC000811778606 631119314 /nfs/dbraw/zinc/11/93/14/631119314.db2.gz CKCMUZLBTYKNJD-NSHDSACASA-N 1 1 281.346 3.358 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1 ZINC000811778774 631119787 /nfs/dbraw/zinc/11/97/87/631119787.db2.gz NSFYTNZQHLCHLG-RDJZCZTQSA-N 1 1 289.419 3.398 20 10 CGCDMO CO[C@](C)(C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)C1CC1 ZINC000812734697 631299085 /nfs/dbraw/zinc/29/90/85/631299085.db2.gz QZDMQFBZYXTOIK-BJOHPYRUSA-N 1 1 285.334 3.136 20 10 CGCDMO CC(C)[N@@H+](Cc1cc(Cl)ccc1O)[C@@H]1CCOC1 ZINC000812776219 631305868 /nfs/dbraw/zinc/30/58/68/631305868.db2.gz KHNWHPHLVSVAFD-CYBMUJFWSA-N 1 1 269.772 3.045 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+](C(C)C)[C@H]2CCOC2)c1O ZINC000812777161 631306652 /nfs/dbraw/zinc/30/66/52/631306652.db2.gz YCZVNJPTLVGKHG-AWEZNQCLSA-N 1 1 283.799 3.353 20 10 CGCDMO COCC[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815572960 631798473 /nfs/dbraw/zinc/79/84/73/631798473.db2.gz UCHWEMSIIMZQPV-UWVGGRQHSA-N 1 1 291.313 3.487 20 10 CGCDMO C[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815615869 631806750 /nfs/dbraw/zinc/80/67/50/631806750.db2.gz ZPUJCFOPUWFXEC-KXUCPTDWSA-N 1 1 291.313 3.221 20 10 CGCDMO CC[C@H]([NH2+]CC(C)(F)F)c1ccc(N(C)C)cc1 ZINC000815645050 631811352 /nfs/dbraw/zinc/81/13/52/631811352.db2.gz SZRQFIWYZIVPTC-ZDUSSCGKSA-N 1 1 256.340 3.449 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H]1CCCO1 ZINC000816559941 632013117 /nfs/dbraw/zinc/01/31/17/632013117.db2.gz ZTEKAAIYBAMIGA-TZMCWYRMSA-N 1 1 287.762 3.232 20 10 CGCDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816564769 632013522 /nfs/dbraw/zinc/01/35/22/632013522.db2.gz PJTUHRGEYQFOAY-KRWDZBQOSA-N 1 1 285.387 3.402 20 10 CGCDMO Cc1c(C[N@@H+](C)Cc2ccc3ccccc3c2O)cnn1C ZINC000816594648 632018806 /nfs/dbraw/zinc/01/88/06/632018806.db2.gz KVVGRBABEXIJBZ-UHFFFAOYSA-N 1 1 295.386 3.219 20 10 CGCDMO CN1CC[C@]2(CC[N@H+](Cc3ccc4ccccc4c3O)C2)C1 ZINC000816616800 632024616 /nfs/dbraw/zinc/02/46/16/632024616.db2.gz GTXRGXHNNDMTMN-IBGZPJMESA-N 1 1 296.414 3.073 20 10 CGCDMO CN1CC[C@]2(CC[N@@H+](Cc3ccc4ccccc4c3O)C2)C1 ZINC000816616800 632024622 /nfs/dbraw/zinc/02/46/22/632024622.db2.gz GTXRGXHNNDMTMN-IBGZPJMESA-N 1 1 296.414 3.073 20 10 CGCDMO CCc1nocc1C[N@H+](C)Cc1cc(Cl)ccc1O ZINC000816652355 632039358 /nfs/dbraw/zinc/03/93/58/632039358.db2.gz HXWKTROKKBXGAS-UHFFFAOYSA-N 1 1 280.755 3.228 20 10 CGCDMO CCc1nocc1C[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000816652355 632039363 /nfs/dbraw/zinc/03/93/63/632039363.db2.gz HXWKTROKKBXGAS-UHFFFAOYSA-N 1 1 280.755 3.228 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc2ccccc2c1[O-] ZINC000817968247 632261024 /nfs/dbraw/zinc/26/10/24/632261024.db2.gz IFJYATBBZBZQRS-DZGCQCFKSA-N 1 1 284.403 3.338 20 10 CGCDMO CN(C)c1ccc(C[NH+]2CC3(CC3)C2)c(C(F)(F)F)c1 ZINC000824533748 633255086 /nfs/dbraw/zinc/25/50/86/633255086.db2.gz MLDUMXIGISZFSN-UHFFFAOYSA-N 1 1 284.325 3.367 20 10 CGCDMO CCC1([NH2+]Cc2cc(C)cc(Br)c2O)CC1 ZINC000824620447 633265138 /nfs/dbraw/zinc/26/51/38/633265138.db2.gz PGELHJFHVKENCP-UHFFFAOYSA-N 1 1 284.197 3.495 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c1 ZINC000824940722 633309083 /nfs/dbraw/zinc/30/90/83/633309083.db2.gz BFKZZNXWWSEJLG-NVXWUHKLSA-N 1 1 273.376 3.021 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)cc1 ZINC000824942431 633309173 /nfs/dbraw/zinc/30/91/73/633309173.db2.gz ZUKZZVCTXNSUHH-ZWKOTPCHSA-N 1 1 270.420 3.373 20 10 CGCDMO CO[C@@H]([C@@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F)C1CC1 ZINC000825099088 633328523 /nfs/dbraw/zinc/32/85/23/633328523.db2.gz ULGJUAUBOFRYSX-CLAHSXSESA-N 1 1 287.762 3.088 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@]3(CCOC3)C2)cc1C ZINC000825134310 633331695 /nfs/dbraw/zinc/33/16/95/633331695.db2.gz YDXZFXJVHNXXPY-KRWDZBQOSA-N 1 1 275.392 3.012 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@]3(CCSC3)C2)c1O ZINC000825215428 633335937 /nfs/dbraw/zinc/33/59/37/633335937.db2.gz OWHRTIQWKFZCBH-INIZCTEOSA-N 1 1 277.433 3.420 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)CCCn2ccnc2)cc1Cl ZINC000825928069 633388571 /nfs/dbraw/zinc/38/85/71/633388571.db2.gz LVZRTCVKNRRKHP-UHFFFAOYSA-N 1 1 293.798 3.073 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C(C)C)[C@@H]2CCOC2)cc1Cl ZINC000825954935 633392208 /nfs/dbraw/zinc/39/22/08/633392208.db2.gz CWKQBCFJDBUAQE-CYBMUJFWSA-N 1 1 283.799 3.353 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H]3C[C@H]2CS3)cc1Cl ZINC000826120456 633406628 /nfs/dbraw/zinc/40/66/28/633406628.db2.gz DNIVCUZCONOCPV-QWRGUYRKSA-N 1 1 269.797 3.044 20 10 CGCDMO Cc1cc(O)c(C[NH+]2CC3(CC3(F)F)C2)cc1Cl ZINC000826535026 633411788 /nfs/dbraw/zinc/41/17/88/633411788.db2.gz PREHQNWIPJIUMC-UHFFFAOYSA-N 1 1 273.710 3.195 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000827539196 633497265 /nfs/dbraw/zinc/49/72/65/633497265.db2.gz ZIYZYDHZXHNTFV-UHFFFAOYSA-N 1 1 287.403 3.092 20 10 CGCDMO CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000846185337 636155347 /nfs/dbraw/zinc/15/53/47/636155347.db2.gz UVBWNDIFTHSWKZ-TUKIKUTGSA-N 1 1 283.387 3.369 20 10 CGCDMO C[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccc(Cl)cc1O ZINC000872114477 634039563 /nfs/dbraw/zinc/03/95/63/634039563.db2.gz WPWXUYQALHGESY-QWRGUYRKSA-N 1 1 297.782 3.040 20 10 CGCDMO CC[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1ccc(F)cc1O ZINC000834894299 634272315 /nfs/dbraw/zinc/27/23/15/634272315.db2.gz KBQPACIWZVGDLZ-SWHYSGLUSA-N 1 1 289.354 3.475 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+]2CCOCC23CCC3)cc1 ZINC000835025890 634324619 /nfs/dbraw/zinc/32/46/19/634324619.db2.gz MMWIVSYWCJPKHB-HWKANZROSA-N 1 1 286.419 3.021 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCOCC23CCC3)cc1 ZINC000835025890 634324620 /nfs/dbraw/zinc/32/46/20/634324620.db2.gz MMWIVSYWCJPKHB-HWKANZROSA-N 1 1 286.419 3.021 20 10 CGCDMO COC[C@H]1CCC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835028915 634325457 /nfs/dbraw/zinc/32/54/57/634325457.db2.gz NGSSRDOUHRVJOD-AATOQMJSSA-N 1 1 288.435 3.124 20 10 CGCDMO CCOCC[N@@H+](CC)C/C=C/c1ccc(N(C)C)cc1 ZINC000835029610 634325477 /nfs/dbraw/zinc/32/54/77/634325477.db2.gz YADMFUAXSOEZAI-BQYQJAHWSA-N 1 1 276.424 3.124 20 10 CGCDMO CCC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)CC(C)(C)O ZINC000835027300 634325537 /nfs/dbraw/zinc/32/55/37/634325537.db2.gz KSTOVFVAAFZKGA-FPLPWBNLSA-N 1 1 290.451 3.249 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000835026417 634326432 /nfs/dbraw/zinc/32/64/32/634326432.db2.gz VQBNLNZIFRISRL-YIEVGGLXSA-N 1 1 276.449 3.203 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC23CCOCC3)cc1 ZINC000835049747 634336457 /nfs/dbraw/zinc/33/64/57/634336457.db2.gz RWDIEBCQUXGMQQ-ONEGZZNKSA-N 1 1 286.419 3.021 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@](C)(O)CC2)cc1 ZINC000835055033 634339334 /nfs/dbraw/zinc/33/93/34/634339334.db2.gz VDQJXPCYMMNGHU-JXTAAOLFSA-N 1 1 288.435 3.003 20 10 CGCDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2c(C)cccc2O)on1 ZINC000876617212 634868400 /nfs/dbraw/zinc/86/84/00/634868400.db2.gz HJKWNEJKYGJWJY-AWEZNQCLSA-N 1 1 272.348 3.334 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCOc2ccccc2C1 ZINC000876626918 634871340 /nfs/dbraw/zinc/87/13/40/634871340.db2.gz LUGMLKRZBMBEFN-UHFFFAOYSA-N 1 1 269.344 3.095 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000876643764 634874858 /nfs/dbraw/zinc/87/48/58/634874858.db2.gz MHAZFNCGQZXACA-OAHLLOKOSA-N 1 1 289.400 3.336 20 10 CGCDMO Cc1ccc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c(O)c1 ZINC000876737675 634887805 /nfs/dbraw/zinc/88/78/05/634887805.db2.gz VOIRJUKEJCAQRY-GOSISDBHSA-N 1 1 297.398 3.182 20 10 CGCDMO Cc1ccc(C[N@H+](C)[C@H](C)c2ccncc2)c(O)c1 ZINC000877317357 635024545 /nfs/dbraw/zinc/02/45/45/635024545.db2.gz KWLPQAFBTFHKST-CYBMUJFWSA-N 1 1 256.349 3.289 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CS[C@@H](C)C1)c1ccc(F)cc1O ZINC000840860554 635067760 /nfs/dbraw/zinc/06/77/60/635067760.db2.gz UPNKUWCPHDGWIA-NDMJEZRESA-N 1 1 269.385 3.466 20 10 CGCDMO Cc1cc(O)c(CNC[C@@H](C)C[NH+]2CCCC2)c(Cl)c1 ZINC000840880199 635072390 /nfs/dbraw/zinc/07/23/90/635072390.db2.gz JGOZPDNYNZJXCW-CYBMUJFWSA-N 1 1 296.842 3.176 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1csnn1 ZINC000840886187 635074623 /nfs/dbraw/zinc/07/46/23/635074623.db2.gz QYBGWSXPLUKTMB-NQMVMOMDSA-N 1 1 293.367 3.282 20 10 CGCDMO CCn1cc(C[N@H+](C)Cc2c(O)cc(C)cc2Cl)cn1 ZINC000840915570 635081215 /nfs/dbraw/zinc/08/12/15/635081215.db2.gz RCSKIBCIIOESAE-UHFFFAOYSA-N 1 1 293.798 3.202 20 10 CGCDMO CCn1cc(C[N@@H+](C)Cc2c(O)cc(C)cc2Cl)cn1 ZINC000840915570 635081216 /nfs/dbraw/zinc/08/12/16/635081216.db2.gz RCSKIBCIIOESAE-UHFFFAOYSA-N 1 1 293.798 3.202 20 10 CGCDMO CCC[N@@H+](Cc1ccc(N(C)C)cc1C)CC(C)(C)O ZINC000840913914 635081397 /nfs/dbraw/zinc/08/13/97/635081397.db2.gz MLWVFRNPIBOFKJ-UHFFFAOYSA-N 1 1 278.440 3.044 20 10 CGCDMO CC[C@@H](CNCc1ccc(N(C)C)cc1C)[NH+]1CCCC1 ZINC000840929678 635083888 /nfs/dbraw/zinc/08/38/88/635083888.db2.gz VAQSHHDZOHQWGP-KRWDZBQOSA-N 1 1 289.467 3.025 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccn(C(C)C)n1 ZINC000840933811 635084621 /nfs/dbraw/zinc/08/46/21/635084621.db2.gz JPIJESCJRAHCIL-UHFFFAOYSA-N 1 1 286.423 3.128 20 10 CGCDMO Cc1nnc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)s1 ZINC000840940239 635086676 /nfs/dbraw/zinc/08/66/76/635086676.db2.gz XKRJQOIFLVKWAF-NSHDSACASA-N 1 1 290.436 3.072 20 10 CGCDMO CO[C@H]1C[N@@H+](Cc2c(O)cc(C)cc2Cl)CC[C@@H]1C ZINC000840940127 635087004 /nfs/dbraw/zinc/08/70/04/635087004.db2.gz UWZFFLCAGZHEMN-NHYWBVRUSA-N 1 1 283.799 3.211 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCS[C@@H](C)CC1 ZINC000840941531 635087990 /nfs/dbraw/zinc/08/79/90/635087990.db2.gz BICRTWOHNARQKQ-AWEZNQCLSA-N 1 1 278.465 3.388 20 10 CGCDMO Cc1cc(O)c(C[NH2+][C@H]2C[C@H](C)n3ccnc32)c(Cl)c1 ZINC000840949787 635090601 /nfs/dbraw/zinc/09/06/01/635090601.db2.gz CEAJIGWRIMXSGL-GWCFXTLKSA-N 1 1 291.782 3.346 20 10 CGCDMO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CS1 ZINC000840958811 635093948 /nfs/dbraw/zinc/09/39/48/635093948.db2.gz OFOQJRWXSYHJOB-VXNVDRBHSA-N 1 1 275.776 3.168 20 10 CGCDMO CC[N@@H+](Cc1cccc(OC)c1O)C1CC(C)(C)C1 ZINC000840971663 635097700 /nfs/dbraw/zinc/09/77/00/635097700.db2.gz RWARDQVHMCBMJF-UHFFFAOYSA-N 1 1 263.381 3.411 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000840977955 635098846 /nfs/dbraw/zinc/09/88/46/635098846.db2.gz KZDBHNJQFXYKNR-CYBMUJFWSA-N 1 1 261.365 3.023 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c(O)c1 ZINC000877604125 635107770 /nfs/dbraw/zinc/10/77/70/635107770.db2.gz XFOCHGHYIOMUBB-CVEARBPZSA-N 1 1 275.392 3.092 20 10 CGCDMO CCn1nc(C)c(C[N@@H+](C)Cc2cccc(C)c2O)c1C ZINC000877663880 635138131 /nfs/dbraw/zinc/13/81/31/635138131.db2.gz HSOLLCPCMIBJSW-UHFFFAOYSA-N 1 1 287.407 3.166 20 10 CGCDMO C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(Cl)cc1O ZINC000841743994 635222318 /nfs/dbraw/zinc/22/23/18/635222318.db2.gz DVAKCUPCJQZEGZ-QMTHXVAHSA-N 1 1 282.815 3.036 20 10 CGCDMO C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(Cl)cc1O ZINC000841743992 635222922 /nfs/dbraw/zinc/22/29/22/635222922.db2.gz DVAKCUPCJQZEGZ-HZMBPMFUSA-N 1 1 282.815 3.036 20 10 CGCDMO CO[C@H](C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841747925 635224482 /nfs/dbraw/zinc/22/44/82/635224482.db2.gz UWWKUTZTHZLUJE-ZJUUUORDSA-N 1 1 257.761 3.121 20 10 CGCDMO C[C@@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(Cl)cc1O ZINC000841751267 635226023 /nfs/dbraw/zinc/22/60/23/635226023.db2.gz HABDMAMOYYJKNJ-LLVKDONJSA-N 1 1 282.815 3.181 20 10 CGCDMO C[C@@H](C[NH2+][C@H](C)c1ccc(Cl)cc1O)C[C@H](C)O ZINC000841754839 635228769 /nfs/dbraw/zinc/22/87/69/635228769.db2.gz MAPKCBJSNPGNFX-OUAUKWLOSA-N 1 1 271.788 3.103 20 10 CGCDMO C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841756952 635229672 /nfs/dbraw/zinc/22/96/72/635229672.db2.gz LPFGRWXCIHAKLV-QWRGUYRKSA-N 1 1 293.798 3.061 20 10 CGCDMO C[C@H]([NH2+]CC(C)(C)C(C)(C)O)c1ccc(Cl)cc1O ZINC000841758098 635232210 /nfs/dbraw/zinc/23/22/10/635232210.db2.gz SCJMWWGQRJNTRY-JTQLQIEISA-N 1 1 285.815 3.493 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H](CC)OC ZINC000842153422 635298059 /nfs/dbraw/zinc/29/80/59/635298059.db2.gz UGBBEZFRUGKTLT-AWEZNQCLSA-N 1 1 251.370 3.029 20 10 CGCDMO CCCC[N@@H+](Cc1ccc(N)nc1)Cc1ccccc1O ZINC000843119650 635560472 /nfs/dbraw/zinc/56/04/72/635560472.db2.gz ZBZIVHFSODGTGJ-UHFFFAOYSA-N 1 1 285.391 3.172 20 10 CGCDMO C[C@@H]1CC2(C[N@H+]1Cc1c(O)cccc1Cl)CCOCC2 ZINC000843431591 635673581 /nfs/dbraw/zinc/67/35/81/635673581.db2.gz INYCPXWVQCTIQE-GFCCVEGCSA-N 1 1 295.810 3.437 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC000844758525 635959355 /nfs/dbraw/zinc/95/93/55/635959355.db2.gz JJPJWGYZTSBBRO-AWEZNQCLSA-N 1 1 267.319 3.240 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000846106366 636144167 /nfs/dbraw/zinc/14/41/67/636144167.db2.gz AIBQMGFNVNWWEO-CQSZACIVSA-N 1 1 267.319 3.322 20 10 CGCDMO COc1cccc([C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)c1O ZINC000846177427 636153677 /nfs/dbraw/zinc/15/36/77/636153677.db2.gz OWMZIOILLQOGAA-CQSZACIVSA-N 1 1 294.439 3.029 20 10 CGCDMO COc1cccc([C@@H](C)NCCC[N@H+](C)CC(C)C)c1O ZINC000846177427 636153678 /nfs/dbraw/zinc/15/36/78/636153678.db2.gz OWMZIOILLQOGAA-CQSZACIVSA-N 1 1 294.439 3.029 20 10 CGCDMO COc1cccc([C@@H](C)NCCC[N@@H+](C)CC(C)C)c1O ZINC000846177427 636153683 /nfs/dbraw/zinc/15/36/83/636153683.db2.gz OWMZIOILLQOGAA-CQSZACIVSA-N 1 1 294.439 3.029 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)COCC1CC1)c1ccc(F)cc1O ZINC000846205180 636158516 /nfs/dbraw/zinc/15/85/16/636158516.db2.gz NRMNHPDIFNCMRH-NHYWBVRUSA-N 1 1 281.371 3.387 20 10 CGCDMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1c(O)cccc1Cl ZINC000130886776 636527284 /nfs/dbraw/zinc/52/72/84/636527284.db2.gz XNYIEIKPWFXAKJ-CYBMUJFWSA-N 1 1 296.842 3.352 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]CC1(C(F)(F)F)CC1 ZINC000883118061 636544904 /nfs/dbraw/zinc/54/49/04/636544904.db2.gz NTANBUZFQPSVRL-UHFFFAOYSA-N 1 1 281.224 3.103 20 10 CGCDMO Oc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)CC2 ZINC000883175300 636567272 /nfs/dbraw/zinc/56/72/72/636567272.db2.gz DDIVRNQLRQOMFI-HNNXBMFYSA-N 1 1 291.297 3.153 20 10 CGCDMO CC1(C)[C@@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1(F)F ZINC000883180204 636568023 /nfs/dbraw/zinc/56/80/23/636568023.db2.gz WEONCMXRJPVHLY-SNVBAGLBSA-N 1 1 277.261 3.051 20 10 CGCDMO CCc1cccc(C[N@H+]2CCc3ccccc3[C@@H]2CO)c1O ZINC000848886654 636675127 /nfs/dbraw/zinc/67/51/27/636675127.db2.gz GZOUYDHYLIGKQQ-SFHVURJKSA-N 1 1 297.398 3.046 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c1O ZINC000848887886 636676288 /nfs/dbraw/zinc/67/62/88/636676288.db2.gz HFNHQLQHKOUCNJ-GOSISDBHSA-N 1 1 289.419 3.347 20 10 CGCDMO CCc1cccc(C[N@@H+](C)Cc2ccc(C)cn2)c1O ZINC000848905934 636684193 /nfs/dbraw/zinc/68/41/93/636684193.db2.gz MZPLETZSDUYJLU-UHFFFAOYSA-N 1 1 270.376 3.290 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@H](c3ccccn3)C2)c1O ZINC000848908723 636685128 /nfs/dbraw/zinc/68/51/28/636685128.db2.gz BTJLCJSDESAAAZ-HNNXBMFYSA-N 1 1 282.387 3.339 20 10 CGCDMO CC[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(N(C)C)cc1 ZINC000132138563 636786274 /nfs/dbraw/zinc/78/62/74/636786274.db2.gz SDBYCIVTMMNQPZ-KRWDZBQOSA-N 1 1 291.483 3.381 20 10 CGCDMO Cc1[nH+]ccn1CCCSc1ncc(Cl)s1 ZINC000849998962 636924214 /nfs/dbraw/zinc/92/42/14/636924214.db2.gz LHMHLQUIBVALQQ-UHFFFAOYSA-N 1 1 273.814 3.484 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1ccc(F)cc1O ZINC000850482266 637085910 /nfs/dbraw/zinc/08/59/10/637085910.db2.gz RBPAQMFVEUBUHF-UKRRQHHQSA-N 1 1 294.414 3.445 20 10 CGCDMO C[C@@H]([NH2+]CCC(C)(C)F)c1cc(F)cc(F)c1O ZINC000850530697 637108500 /nfs/dbraw/zinc/10/85/00/637108500.db2.gz BUINANKEXJJHLJ-MRVPVSSYSA-N 1 1 261.287 3.459 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)CN1CCC(C)CC1)c1ccc(F)cc1O ZINC000850544460 637115659 /nfs/dbraw/zinc/11/56/59/637115659.db2.gz XGDHLCMKLIUNPN-UONOGXRCSA-N 1 1 294.414 3.302 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccc(F)cc1O ZINC000850570131 637127800 /nfs/dbraw/zinc/12/78/00/637127800.db2.gz DSTMJJWBMOMGLK-RISCZKNCSA-N 1 1 281.371 3.387 20 10 CGCDMO CC[C@@H]1CCCCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000135644748 637150684 /nfs/dbraw/zinc/15/06/84/637150684.db2.gz RUSNZILWAHDIOO-CYBMUJFWSA-N 1 1 277.364 3.276 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCS[C@@H](C)[C@H]2C)c1O ZINC000135834650 637190583 /nfs/dbraw/zinc/19/05/83/637190583.db2.gz NVWHNTOZZWVDEJ-KOLCDFICSA-N 1 1 297.395 3.060 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)c1O ZINC000135834650 637190588 /nfs/dbraw/zinc/19/05/88/637190588.db2.gz NVWHNTOZZWVDEJ-KOLCDFICSA-N 1 1 297.395 3.060 20 10 CGCDMO CC(C)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000109761388 637265846 /nfs/dbraw/zinc/26/58/46/637265846.db2.gz RQSVSRPQEBYRLD-HNNXBMFYSA-N 1 1 263.381 3.029 20 10 CGCDMO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2c(O)cccc2F)cc1 ZINC000886509072 637544418 /nfs/dbraw/zinc/54/44/18/637544418.db2.gz ZPSBTPSXJDVTLO-BLLLJJGKSA-N 1 1 289.350 3.224 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1c(O)cccc1F ZINC000886540873 637565645 /nfs/dbraw/zinc/56/56/45/637565645.db2.gz LZWMWTXRXSOZPT-HTTKSJEASA-N 1 1 279.355 3.140 20 10 CGCDMO CO[C@H](CC[NH2+][C@H](C)c1c(O)cccc1F)C(F)(F)F ZINC000886596985 637597934 /nfs/dbraw/zinc/59/79/34/637597934.db2.gz STEAKZBNJVAYHV-LDYMZIIASA-N 1 1 295.276 3.149 20 10 CGCDMO CC[C@H](COCC1CC1)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886636113 637621152 /nfs/dbraw/zinc/62/11/52/637621152.db2.gz GKMPGFYQVGARAK-DGCLKSJQSA-N 1 1 281.371 3.387 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)Cc1ccccn1)c1c(O)cccc1F ZINC000886635166 637621363 /nfs/dbraw/zinc/62/13/63/637621363.db2.gz XSJLMPCHJWTXLO-NWDGAFQWSA-N 1 1 274.339 3.208 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1c(O)cccc1F ZINC000886638654 637623016 /nfs/dbraw/zinc/62/30/16/637623016.db2.gz ZCQDSOOZWGLBAM-GZMMTYOYSA-N 1 1 273.298 3.473 20 10 CGCDMO C[C@@H]([NH2+]CC[C@H](O)C1CCCC1)c1c(O)cccc1F ZINC000886650459 637630406 /nfs/dbraw/zinc/63/04/06/637630406.db2.gz XJUAPAHQZQNCOG-RISCZKNCSA-N 1 1 281.371 3.123 20 10 CGCDMO C[C@@H]([NH2+]C1CCC2(COC2)CC1)c1c(O)cccc1F ZINC000886651664 637631221 /nfs/dbraw/zinc/63/12/21/637631221.db2.gz NSURLTKJBXLDTQ-LLVKDONJSA-N 1 1 279.355 3.141 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)CC2CCCC2)c1O ZINC000110838383 637706283 /nfs/dbraw/zinc/70/62/83/637706283.db2.gz HLHWQWRPRVQTEY-UHFFFAOYSA-N 1 1 279.355 3.356 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)CC2CCCC2)c1O ZINC000110838383 637706289 /nfs/dbraw/zinc/70/62/89/637706289.db2.gz HLHWQWRPRVQTEY-UHFFFAOYSA-N 1 1 279.355 3.356 20 10 CGCDMO Cc1ccc(C)c(NC(=O)C[N@@H+](C)Cc2ccccc2O)c1 ZINC000111236163 637804506 /nfs/dbraw/zinc/80/45/06/637804506.db2.gz UHFZNPJZBLSDEG-UHFFFAOYSA-N 1 1 298.386 3.080 20 10 CGCDMO Cc1ccc(C)c(NC(=O)C[N@H+](C)Cc2ccccc2O)c1 ZINC000111236163 637804510 /nfs/dbraw/zinc/80/45/10/637804510.db2.gz UHFZNPJZBLSDEG-UHFFFAOYSA-N 1 1 298.386 3.080 20 10 CGCDMO COC[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000112961107 638139773 /nfs/dbraw/zinc/13/97/73/638139773.db2.gz XLRMPANEOHKRFL-AWEZNQCLSA-N 1 1 285.387 3.404 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929977866 638966114 /nfs/dbraw/zinc/96/61/14/638966114.db2.gz XJKQTRFPFKHEBV-LMKPVCQUSA-N 1 1 267.319 3.115 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](Cc2ccnc(F)c2)C2CC2)cc1 ZINC000859082269 639073956 /nfs/dbraw/zinc/07/39/56/639073956.db2.gz SPGJXRUVGXGUPY-UHFFFAOYSA-N 1 1 299.393 3.451 20 10 CGCDMO Cc1cccc(C[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)c1O ZINC000191568707 640319065 /nfs/dbraw/zinc/31/90/65/640319065.db2.gz FXQFUAWMFOEAKI-NSHDSACASA-N 1 1 289.379 3.232 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)Cc2ccccc2O)c1O ZINC000091956745 640727747 /nfs/dbraw/zinc/72/77/47/640727747.db2.gz LBLJEMHFKCCYKM-UHFFFAOYSA-N 1 1 287.359 3.129 20 10 CGCDMO COc1cccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1O ZINC000093442053 640771228 /nfs/dbraw/zinc/77/12/28/640771228.db2.gz VNCTXZWELGGGFC-BETUJISGSA-N 1 1 261.365 3.023 20 10 CGCDMO C[N@@H+](CCc1nccs1)Cc1cc(Cl)ccc1O ZINC000093843884 640782966 /nfs/dbraw/zinc/78/29/66/640782966.db2.gz FDJVUDSIQVQADB-UHFFFAOYSA-N 1 1 282.796 3.177 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)c1O ZINC000037322755 798866925 /nfs/dbraw/zinc/86/69/25/798866925.db2.gz VEUUNBXNYXQNQT-PHIMTYICSA-N 1 1 279.355 3.497 20 10 CGCDMO CS[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000394998329 799501777 /nfs/dbraw/zinc/50/17/77/799501777.db2.gz ILCRLPBFIYMVSK-LBPRGKRZSA-N 1 1 299.823 3.186 20 10 CGCDMO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)CC(F)F ZINC000697752935 799848104 /nfs/dbraw/zinc/84/81/04/799848104.db2.gz NOUIPNSTIOEZRT-IUCAKERBSA-N 1 1 261.287 3.473 20 10 CGCDMO CC[C@@]1(C)COCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000707688666 799978818 /nfs/dbraw/zinc/97/88/18/799978818.db2.gz FVHTWNUWWINEAK-HNNXBMFYSA-N 1 1 299.798 3.055 20 10 CGCDMO CC[C@@]1(C)COCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000707688666 799978824 /nfs/dbraw/zinc/97/88/24/799978824.db2.gz FVHTWNUWWINEAK-HNNXBMFYSA-N 1 1 299.798 3.055 20 10 CGCDMO Cc1ccccc1CC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708420584 799988675 /nfs/dbraw/zinc/98/86/75/799988675.db2.gz KOSSITDQLNYRRP-UHFFFAOYSA-N 1 1 277.314 3.311 20 10 CGCDMO Cc1noc(C)c1[C@H](C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708481264 799989944 /nfs/dbraw/zinc/98/99/44/799989944.db2.gz PKCPOTVSZDYYTJ-ZETCQYMHSA-N 1 1 282.290 3.126 20 10 CGCDMO CCc1cccc(C[N@@H+](C)CCC(F)(F)F)c1O ZINC000821982505 800458659 /nfs/dbraw/zinc/45/86/59/800458659.db2.gz LCIBOHFQEIIKCR-UHFFFAOYSA-N 1 1 261.287 3.339 20 10 CGCDMO COc1cccc2c1CC[C@H]([N@@H+](C)Cc1ccccc1O)C2 ZINC001256654368 806941119 /nfs/dbraw/zinc/94/11/19/806941119.db2.gz MRKFKRUIQRKEEN-INIZCTEOSA-N 1 1 297.398 3.390 20 10 CGCDMO C[N@@H+](CCCF)Cc1ccc(N2CCCC2)cc1 ZINC001119440373 802665142 /nfs/dbraw/zinc/66/51/42/802665142.db2.gz IPTFDQFJTRBFHT-UHFFFAOYSA-N 1 1 250.361 3.078 20 10 CGCDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(N)cc1 ZINC001120371330 802742647 /nfs/dbraw/zinc/74/26/47/802742647.db2.gz VVDDQVHHEVSPRS-JOYOIKCWSA-N 1 1 258.287 3.042 20 10 CGCDMO CC[N@@H+](Cc1ccc(Cl)nc1)Cc1ccccc1O ZINC001137168856 803692528 /nfs/dbraw/zinc/69/25/28/803692528.db2.gz RGPHSJUDNPASJV-UHFFFAOYSA-N 1 1 276.767 3.463 20 10 CGCDMO CC[N@@H+](Cc1cnc2cccc(C)n12)Cc1ccccc1O ZINC001137198596 803695721 /nfs/dbraw/zinc/69/57/21/803695721.db2.gz AEHYSRZYKILLHG-UHFFFAOYSA-N 1 1 295.386 3.370 20 10 CGCDMO Cc1ccc2c(c1)C[N@@H+](Cc1c(O)cccc1F)CC2 ZINC001137831966 803777769 /nfs/dbraw/zinc/77/77/69/803777769.db2.gz VDBLCTMOWNVXMV-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO Cc1ccc2c(c1)C[N@H+](Cc1c(O)cccc1F)CC2 ZINC001137831966 803777776 /nfs/dbraw/zinc/77/77/76/803777776.db2.gz VDBLCTMOWNVXMV-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO [O-]c1cccc(F)c1C[N@@H+](C1CCC1)C1CCOCC1 ZINC001137841364 803780116 /nfs/dbraw/zinc/78/01/16/803780116.db2.gz BNQSRRIRRFJMEF-UHFFFAOYSA-N 1 1 279.355 3.065 20 10 CGCDMO Oc1cccc(F)c1C[N@H+](C1CCC1)C1CCOCC1 ZINC001137841364 803780121 /nfs/dbraw/zinc/78/01/21/803780121.db2.gz BNQSRRIRRFJMEF-UHFFFAOYSA-N 1 1 279.355 3.065 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+](C1CCC1)C1CCOCC1 ZINC001137841364 803780125 /nfs/dbraw/zinc/78/01/25/803780125.db2.gz BNQSRRIRRFJMEF-UHFFFAOYSA-N 1 1 279.355 3.065 20 10 CGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CC[C@@]12CCOC2 ZINC001138222426 803874069 /nfs/dbraw/zinc/87/40/69/803874069.db2.gz XJIMXPBJVGKBKG-SFHVURJKSA-N 1 1 286.419 3.042 20 10 CGCDMO Cc1c(C[N@H+]2CCCO[C@@H](C)C2)c2ccccc2n1C ZINC001138252971 803881040 /nfs/dbraw/zinc/88/10/40/803881040.db2.gz YMYIQDCLYWDKLQ-ZDUSSCGKSA-N 1 1 272.392 3.098 20 10 CGCDMO Cc1c(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)c2ccccc2n1C ZINC001138253715 803883082 /nfs/dbraw/zinc/88/30/82/803883082.db2.gz DKTOPCGHHSAZLC-KXBFYZLASA-N 1 1 298.430 3.488 20 10 CGCDMO Cc1c(C[N@@H+]2CCOC[C@@H]2C(C)C)c2ccccc2n1C ZINC001138258394 803883708 /nfs/dbraw/zinc/88/37/08/803883708.db2.gz RCACITWSABTIQZ-GOSISDBHSA-N 1 1 286.419 3.344 20 10 CGCDMO C[N@@H+](Cc1cc2c3c(c1O)CCCN3CCC2)C(C)(C)C ZINC001138337277 803898048 /nfs/dbraw/zinc/89/80/48/803898048.db2.gz MKYBQSSFSOSNMM-UHFFFAOYSA-N 1 1 288.435 3.321 20 10 CGCDMO CN1CCCc2cc(C[N@@H+](C)Cc3cncs3)ccc21 ZINC001138359082 803902044 /nfs/dbraw/zinc/90/20/44/803902044.db2.gz KBOFBRPLOMDIPW-UHFFFAOYSA-N 1 1 287.432 3.158 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CCC[C@@H](F)C3)ccc21 ZINC001138357046 803902668 /nfs/dbraw/zinc/90/26/68/803902668.db2.gz BNFGYXBUQOLBRV-OAHLLOKOSA-N 1 1 262.372 3.003 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCCN3C)C2(CC2)C1 ZINC001138358888 803903414 /nfs/dbraw/zinc/90/34/14/803903414.db2.gz DJEXWUFSJSLRMO-AWEZNQCLSA-N 1 1 270.420 3.443 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C)C2)c(OC)c1 ZINC001138386105 803913638 /nfs/dbraw/zinc/91/36/38/803913638.db2.gz HGPFZVOJPLIPIN-CQSZACIVSA-N 1 1 276.424 3.383 20 10 CGCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCCCC12CC2 ZINC001138499511 803953630 /nfs/dbraw/zinc/95/36/30/803953630.db2.gz NPRVFVBFYKENIM-UHFFFAOYSA-N 1 1 286.419 3.042 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@@H](CF)C2)ccc1N(C)C ZINC001139672997 804247629 /nfs/dbraw/zinc/24/76/29/804247629.db2.gz MYYVYXXYHQGJKR-HNNXBMFYSA-N 1 1 264.388 3.243 20 10 CGCDMO Cc1cc(C[N@@H+](C)Cc2cncs2)ccc1N(C)C ZINC001139674149 804248142 /nfs/dbraw/zinc/24/81/42/804248142.db2.gz RIIHFBTZNMEWOM-UHFFFAOYSA-N 1 1 275.421 3.150 20 10 CGCDMO C[C@@]1(F)CCCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC001140058243 804365288 /nfs/dbraw/zinc/36/52/88/804365288.db2.gz WDRJVTGLWSZFAT-CQSZACIVSA-N 1 1 255.308 3.245 20 10 CGCDMO Oc1ccc(F)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001140063069 804367381 /nfs/dbraw/zinc/36/73/81/804367381.db2.gz JNOJYYJEQZPLAD-PHIMTYICSA-N 1 1 271.282 3.008 20 10 CGCDMO C[C@H]1C[C@@H](CF)[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC001140337715 804417851 /nfs/dbraw/zinc/41/78/51/804417851.db2.gz AXDNFPWGSCBMQC-UWVGGRQHSA-N 1 1 257.736 3.226 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](c3ccncc3)C2)c1 ZINC001140621343 804476701 /nfs/dbraw/zinc/47/67/01/804476701.db2.gz YBNXUWJZKRPBSJ-HNNXBMFYSA-N 1 1 268.360 3.085 20 10 CGCDMO COc1cccc(CC[N@@H+](C)Cc2cc(C)ccc2O)c1 ZINC001140623406 804476978 /nfs/dbraw/zinc/47/69/78/804476978.db2.gz QVOZKDNDRGIVPE-UHFFFAOYSA-N 1 1 285.387 3.384 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](C)CCN(C)Cc2ccccc2)c1 ZINC001140623952 804477930 /nfs/dbraw/zinc/47/79/30/804477930.db2.gz YUOBFQZUIRJAKI-UHFFFAOYSA-N 1 1 298.430 3.264 20 10 CGCDMO Cc1ccc(O)c(CN(C)CC[N@H+](C)Cc2ccccc2)c1 ZINC001140623952 804477931 /nfs/dbraw/zinc/47/79/31/804477931.db2.gz YUOBFQZUIRJAKI-UHFFFAOYSA-N 1 1 298.430 3.264 20 10 CGCDMO Cc1ccc(O)c(CN(C)CC[N@@H+](C)Cc2ccccc2)c1 ZINC001140623952 804477934 /nfs/dbraw/zinc/47/79/34/804477934.db2.gz YUOBFQZUIRJAKI-UHFFFAOYSA-N 1 1 298.430 3.264 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1F)CC(C)(C)C ZINC001140661668 804486120 /nfs/dbraw/zinc/48/61/20/804486120.db2.gz NFIFQFKMNGSRRJ-UHFFFAOYSA-N 1 1 294.414 3.140 20 10 CGCDMO Cc1c(O)ccc(C[N@@H+](C)Cc2ccc(F)cc2)c1O ZINC001140742745 804502587 /nfs/dbraw/zinc/50/25/87/804502587.db2.gz XLQMSJZDOPLMMH-UHFFFAOYSA-N 1 1 275.323 3.177 20 10 CGCDMO Cc1cccc2c1C[N@@H+](Cc1ccc(O)c(C)c1O)C2 ZINC001140742157 804503712 /nfs/dbraw/zinc/50/37/12/804503712.db2.gz IYRRMUXAYQHETC-UHFFFAOYSA-N 1 1 269.344 3.230 20 10 CGCDMO Cc1ccc(CC[N@H+](C)Cc2ccc(O)c(C)c2O)cc1 ZINC001140749375 804504505 /nfs/dbraw/zinc/50/45/05/804504505.db2.gz XJLNVYOFROEFRX-UHFFFAOYSA-N 1 1 285.387 3.389 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2ccccc2F)c(O)c1 ZINC001140950364 804557342 /nfs/dbraw/zinc/55/73/42/804557342.db2.gz ZPWXNTFGOLSLKD-UHFFFAOYSA-N 1 1 259.324 3.472 20 10 CGCDMO CN1CCOc2cc(C[N@H+]3CCCC[C@@](C)(F)C3)ccc21 ZINC001141140849 804596560 /nfs/dbraw/zinc/59/65/60/804596560.db2.gz PSNJSLKIKXFNHD-QGZVFWFLSA-N 1 1 292.398 3.229 20 10 CGCDMO Cc1ccccc1C[N@H+](C)Cc1ccc2c(c1)OCCN2C ZINC001141143230 804596581 /nfs/dbraw/zinc/59/65/81/804596581.db2.gz QAWBOCBXSXQVEC-UHFFFAOYSA-N 1 1 296.414 3.456 20 10 CGCDMO COC[C@@H]1CCC[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143104469 804802198 /nfs/dbraw/zinc/80/21/98/804802198.db2.gz SVXLPCDAVHFXHA-AWEZNQCLSA-N 1 1 277.408 3.301 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CCCC(=O)CC2)c1O ZINC001143105483 804802819 /nfs/dbraw/zinc/80/28/19/804802819.db2.gz YIILITGXVNXGQJ-UHFFFAOYSA-N 1 1 275.392 3.245 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCCSC1 ZINC001257681096 807214743 /nfs/dbraw/zinc/21/47/43/807214743.db2.gz HDVYHKIFWHNQDC-MRXNPFEDSA-N 1 1 278.465 3.470 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@H]1CCCSC1 ZINC001257681024 807214853 /nfs/dbraw/zinc/21/48/53/807214853.db2.gz NFBIHXQMCVKFIG-ZDUSSCGKSA-N 1 1 251.395 3.110 20 10 CGCDMO CCOC(=O)CCC[C@H](C)[N@@H+](CC)Cc1ccccc1O ZINC001258128509 807317427 /nfs/dbraw/zinc/31/74/27/807317427.db2.gz IXEBBZMSQPVANG-AWEZNQCLSA-N 1 1 293.407 3.336 20 10 CGCDMO Nc1ccc(C[N@@H+](CCCO)[C@H]2CCc3ccccc32)cc1 ZINC001262488288 807867526 /nfs/dbraw/zinc/86/75/26/807867526.db2.gz XCXXRPDJUQFTNL-IBGZPJMESA-N 1 1 296.414 3.141 20 10 CGCDMO Oc1cccc2c1C[N@H+]([C@H]1CCc3cccc(F)c3C1)CC2 ZINC001171005933 807959238 /nfs/dbraw/zinc/95/92/38/807959238.db2.gz UBESJGJVHQVZNP-HNNXBMFYSA-N 1 1 297.373 3.447 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@H]1CCC[C@H](OC)C1 ZINC001172946188 808493266 /nfs/dbraw/zinc/49/32/66/808493266.db2.gz SMOODFKUHVVXPN-GJZGRUSLSA-N 1 1 263.381 3.172 20 10 CGCDMO CO[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001172951785 808494152 /nfs/dbraw/zinc/49/41/52/808494152.db2.gz TYJLSVYLZFHONN-DLBZAZTESA-N 1 1 276.424 3.142 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCSC[C@@H]2C2CC2)cc1 ZINC001176642064 809736388 /nfs/dbraw/zinc/73/63/88/809736388.db2.gz WAWYUDRZAKYRDB-QGZVFWFLSA-N 1 1 290.476 3.470 20 10 CGCDMO Cc1ccc(CNc2ccc3c(c2)[nH+]cn3C)cc1[N+](=O)[O-] ZINC001178037500 809840311 /nfs/dbraw/zinc/84/03/11/809840311.db2.gz MZMIFOFNKGVLAA-UHFFFAOYSA-N 1 1 296.330 3.402 20 10 CGCDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC001179935975 809960937 /nfs/dbraw/zinc/96/09/37/809960937.db2.gz FRRIAICIOTXDHS-CYBMUJFWSA-N 1 1 293.407 3.422 20 10 CGCDMO Oc1c(F)cccc1C[NH2+]CCC1Cc2ccccc2C1 ZINC001180848399 810024160 /nfs/dbraw/zinc/02/41/60/810024160.db2.gz IQBWUHNZPJMLOX-UHFFFAOYSA-N 1 1 285.362 3.426 20 10 CGCDMO CC(C)(C[NH2+]Cc1cc(F)c(F)cc1O)C(F)(F)F ZINC001181144257 810040782 /nfs/dbraw/zinc/04/07/82/810040782.db2.gz BAXCZAXGUTZNAQ-UHFFFAOYSA-N 1 1 283.240 3.349 20 10 CGCDMO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)C[C@@H](C2CC2)O1 ZINC001181373937 810048881 /nfs/dbraw/zinc/04/88/81/810048881.db2.gz UUGUGVHLVIILAC-BONVTDFDSA-N 1 1 281.783 3.045 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2O)C[C@@H](C2CC2)O1 ZINC001181373937 810048883 /nfs/dbraw/zinc/04/88/83/810048883.db2.gz UUGUGVHLVIILAC-BONVTDFDSA-N 1 1 281.783 3.045 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC001182520191 810113408 /nfs/dbraw/zinc/11/34/08/810113408.db2.gz GETJLPSQEGRZOT-PBHICJAKSA-N 1 1 275.392 3.126 20 10 CGCDMO CCC(C)(C)OC1C[NH+](Cc2ccc(N(C)C)cc2C)C1 ZINC001182918954 810131008 /nfs/dbraw/zinc/13/10/08/810131008.db2.gz SSWSXGGCBKGVJT-UHFFFAOYSA-N 1 1 290.451 3.450 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC001183371726 810147416 /nfs/dbraw/zinc/14/74/16/810147416.db2.gz SAJDFVQTJBGYQO-JKSUJKDBSA-N 1 1 290.476 3.246 20 10 CGCDMO CCc1ccc(NCc2c(C)cc(OC)cc2O)[nH+]c1 ZINC001183492067 810149784 /nfs/dbraw/zinc/14/97/84/810149784.db2.gz VOZCWCNYCASJNG-UHFFFAOYSA-N 1 1 272.348 3.279 20 10 CGCDMO CCCC[N@H+](C)CCNCc1c(O)cc(C)cc1Cl ZINC001200346064 811680876 /nfs/dbraw/zinc/68/08/76/811680876.db2.gz LHOVITCGYVGYJN-UHFFFAOYSA-N 1 1 284.831 3.176 20 10 CGCDMO CCCC[N@@H+](C)CCNCc1c(O)cc(C)cc1Cl ZINC001200346064 811680880 /nfs/dbraw/zinc/68/08/80/811680880.db2.gz LHOVITCGYVGYJN-UHFFFAOYSA-N 1 1 284.831 3.176 20 10 CGCDMO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC001202101238 812014508 /nfs/dbraw/zinc/01/45/08/812014508.db2.gz GDNQLVCLSSHSKM-GJZGRUSLSA-N 1 1 299.361 3.354 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCCC[C@@H](F)C2)c1O ZINC001203602389 812405402 /nfs/dbraw/zinc/40/54/02/812405402.db2.gz TVGARSSRSIEZFY-CYBMUJFWSA-N 1 1 267.344 3.115 20 10 CGCDMO Oc1ccc(Br)cc1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001203650600 812416290 /nfs/dbraw/zinc/41/62/90/812416290.db2.gz XKMXSMXSPVCJGK-JOYOIKCWSA-N 1 1 282.181 3.139 20 10 CGCDMO CC1(C)C[N@@H+](Cc2ccc(O)c(O)c2)Cc2ccccc21 ZINC001203879335 812478006 /nfs/dbraw/zinc/47/80/06/812478006.db2.gz IGNXOXMIZIQKCR-UHFFFAOYSA-N 1 1 283.371 3.391 20 10 CGCDMO Oc1ccc(C[N@H+]2CCC[C@H]2c2cccs2)cc1O ZINC001203878512 812478020 /nfs/dbraw/zinc/47/80/20/812478020.db2.gz HPTOGEHMWLYWDQ-LBPRGKRZSA-N 1 1 275.373 3.496 20 10 CGCDMO Cc1nc2c(s1)C[N@@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203933712 812496364 /nfs/dbraw/zinc/49/63/64/812496364.db2.gz GUHMJAJRCYBPOW-UHFFFAOYSA-N 1 1 287.432 3.076 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](C(C)=O)C2)cc1 ZINC001203942435 812497371 /nfs/dbraw/zinc/49/73/71/812497371.db2.gz QMNKRRSVHUPVES-KRWDZBQOSA-N 1 1 288.435 3.334 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](F)C2)c2ccccc21 ZINC001204232644 812579880 /nfs/dbraw/zinc/57/98/80/812579880.db2.gz HJYZMUPEDOJRMN-CQSZACIVSA-N 1 1 272.367 3.450 20 10 CGCDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(O)cc2O)cc1 ZINC001204275641 812593640 /nfs/dbraw/zinc/59/36/40/812593640.db2.gz XNGWBNNMSQKLNG-KRWDZBQOSA-N 1 1 299.370 3.444 20 10 CGCDMO COc1cccc([C@H]2CC[N@@H+](Cc3ccc(O)cc3O)C2)c1 ZINC001204277916 812595277 /nfs/dbraw/zinc/59/52/77/812595277.db2.gz OXKIECMXCXFEGO-AWEZNQCLSA-N 1 1 299.370 3.096 20 10 CGCDMO C[N@H+](Cc1cncs1)Cc1ccc(N2CCCC2)cc1 ZINC001204329166 812614957 /nfs/dbraw/zinc/61/49/57/812614957.db2.gz ZLLBYPUOFJSOEG-UHFFFAOYSA-N 1 1 287.432 3.375 20 10 CGCDMO C[N@@H+](Cc1cncs1)Cc1ccc(N2CCCC2)cc1 ZINC001204329166 812614960 /nfs/dbraw/zinc/61/49/60/812614960.db2.gz ZLLBYPUOFJSOEG-UHFFFAOYSA-N 1 1 287.432 3.375 20 10 CGCDMO COc1cc(C[N@@H+](C)Cc2ccc(C)cc2)cc(O)c1O ZINC001204341665 812616392 /nfs/dbraw/zinc/61/63/92/812616392.db2.gz FHLVNXNGYKNYMJ-UHFFFAOYSA-N 1 1 287.359 3.047 20 10 CGCDMO COc1cc(C[N@@H+](C)[C@H]2CC[C@H](C)CC2)cc(O)c1O ZINC001204351192 812617413 /nfs/dbraw/zinc/61/74/13/812617413.db2.gz OGOJHWUYIFRXMY-AULYBMBSSA-N 1 1 279.380 3.117 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001204749970 812725279 /nfs/dbraw/zinc/72/52/79/812725279.db2.gz QJALWJSSZIXVFS-OAHLLOKOSA-N 1 1 263.381 3.126 20 10 CGCDMO Cc1ccc(C[N@H+]2CCO[C@@](C)(c3ccccc3)C2)c(O)c1 ZINC001204806642 812742140 /nfs/dbraw/zinc/74/21/40/812742140.db2.gz BOKQXKMJFMQYKC-LJQANCHMSA-N 1 1 297.398 3.448 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C[C@@H]1F ZINC001204983934 812809631 /nfs/dbraw/zinc/80/96/31/812809631.db2.gz DOJVGXSFTZEVAG-SKDRFNHKSA-N 1 1 257.736 3.226 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C[C@@H]1F ZINC001204983934 812809640 /nfs/dbraw/zinc/80/96/40/812809640.db2.gz DOJVGXSFTZEVAG-SKDRFNHKSA-N 1 1 257.736 3.226 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@H]2C(C)(C)O)c1 ZINC001205311798 812946089 /nfs/dbraw/zinc/94/60/89/812946089.db2.gz JMWLRLZNKSBDKT-INIZCTEOSA-N 1 1 277.408 3.251 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c1 ZINC001205341018 812962716 /nfs/dbraw/zinc/96/27/16/812962716.db2.gz RIEXXEDTXHQLDX-UKRRQHHQSA-N 1 1 277.408 3.108 20 10 CGCDMO CC[C@]1(C)COCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC001205474842 812989904 /nfs/dbraw/zinc/98/99/04/812989904.db2.gz DWRQUKUNWZMHCW-OAHLLOKOSA-N 1 1 283.799 3.355 20 10 CGCDMO CC[C@]1(C)COCC[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC001205474842 812989905 /nfs/dbraw/zinc/98/99/05/812989905.db2.gz DWRQUKUNWZMHCW-OAHLLOKOSA-N 1 1 283.799 3.355 20 10 CGCDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1c(C)cc(OC)cc1O ZINC001205489286 812991742 /nfs/dbraw/zinc/99/17/42/812991742.db2.gz NGJMHKQEIMSSGA-IAQYHMDHSA-N 1 1 263.381 3.330 20 10 CGCDMO CCCC[N@@H+](Cc1ccn(CC)n1)Cc1ccccc1O ZINC001205514332 812992536 /nfs/dbraw/zinc/99/25/36/812992536.db2.gz NJCONDSTBPDVQZ-UHFFFAOYSA-N 1 1 287.407 3.411 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2C[C@H](C)CC[C@H]2CN)c(O)c1 ZINC001205856293 813109633 /nfs/dbraw/zinc/10/96/33/813109633.db2.gz UMTYLAPYBZGEFI-CJNGLKHVSA-N 1 1 276.424 3.075 20 10 CGCDMO CC(C)c1ccc(CN2C[C@H](C)CC[C@H]2C[NH3+])c(O)c1 ZINC001205856293 813109636 /nfs/dbraw/zinc/10/96/36/813109636.db2.gz UMTYLAPYBZGEFI-CJNGLKHVSA-N 1 1 276.424 3.075 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2CN)c(O)c1 ZINC001205856299 813110306 /nfs/dbraw/zinc/11/03/06/813110306.db2.gz UMTYLAPYBZGEFI-XJKSGUPXSA-N 1 1 276.424 3.075 20 10 CGCDMO CC(C)c1ccc(CN2C[C@@H](C)CC[C@@H]2C[NH3+])c(O)c1 ZINC001205856299 813110310 /nfs/dbraw/zinc/11/03/10/813110310.db2.gz UMTYLAPYBZGEFI-XJKSGUPXSA-N 1 1 276.424 3.075 20 10 CGCDMO C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC001205916596 813133347 /nfs/dbraw/zinc/13/33/47/813133347.db2.gz UQTLWTHGCUDWIN-ZFWWWQNUSA-N 1 1 284.403 3.105 20 10 CGCDMO C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC001205916596 813133348 /nfs/dbraw/zinc/13/33/48/813133348.db2.gz UQTLWTHGCUDWIN-ZFWWWQNUSA-N 1 1 284.403 3.105 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCCCC[C@H]2CO)c1 ZINC001206514214 813339378 /nfs/dbraw/zinc/33/93/78/813339378.db2.gz NMAOEFBNBDTUHS-INIZCTEOSA-N 1 1 277.408 3.253 20 10 CGCDMO CCc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c([O-])c1 ZINC001206598734 813369744 /nfs/dbraw/zinc/36/97/44/813369744.db2.gz LWWILTNWOOTMNP-QGZVFWFLSA-N 1 1 290.451 3.307 20 10 CGCDMO CCc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c([O-])c1 ZINC001206598734 813369751 /nfs/dbraw/zinc/36/97/51/813369751.db2.gz LWWILTNWOOTMNP-QGZVFWFLSA-N 1 1 290.451 3.307 20 10 CGCDMO COc1ccc(CCC[N@H+]2CCc3cccc(O)c3C2)cc1 ZINC001207584393 813600509 /nfs/dbraw/zinc/60/05/09/813600509.db2.gz CJSVSFXUHCGTMR-UHFFFAOYSA-N 1 1 297.398 3.392 20 10 CGCDMO Oc1c(Cl)cccc1CN1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222394886 816431198 /nfs/dbraw/zinc/43/11/98/816431198.db2.gz CHOYDBLVLOANKM-INIZCTEOSA-N 1 1 294.826 3.154 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)CCC1=O ZINC001231587009 818128891 /nfs/dbraw/zinc/12/88/91/818128891.db2.gz PJEJDIJVTNWCOJ-CYBMUJFWSA-N 1 1 283.371 3.346 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CC[C@@]1(C)O ZINC001231586698 818130344 /nfs/dbraw/zinc/13/03/44/818130344.db2.gz LACNTBVLZSMNJU-FZKQIMNGSA-N 1 1 285.387 3.138 20 10 CGCDMO COCC[C@H]1CCCC[N@H+]1Cc1cccc(C)c1O ZINC001231593239 818131216 /nfs/dbraw/zinc/13/12/16/818131216.db2.gz RSEQUQJGXWPVOP-OAHLLOKOSA-N 1 1 263.381 3.092 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@@H](C(F)F)C2)c1O ZINC001231592330 818132433 /nfs/dbraw/zinc/13/24/33/818132433.db2.gz KHRUSXRBTNXNGY-GFCCVEGCSA-N 1 1 255.308 3.178 20 10 CGCDMO COCC[C@H]1CCCC[N@H+]1Cc1c(C)cc(C)cc1O ZINC001231844129 818186233 /nfs/dbraw/zinc/18/62/33/818186233.db2.gz HCMCGEJPRSPOEJ-OAHLLOKOSA-N 1 1 277.408 3.400 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@H](c3ccccn3)C2)c(O)c1 ZINC001231845721 818187699 /nfs/dbraw/zinc/18/76/99/818187699.db2.gz REFOBWOCTBKCEW-HNNXBMFYSA-N 1 1 282.387 3.394 20 10 CGCDMO CC[N@@H+](CCn1cccn1)Cc1cc(Cl)c(C)cc1O ZINC001231870004 818194262 /nfs/dbraw/zinc/19/42/62/818194262.db2.gz FOLIUZBZSVJFFG-UHFFFAOYSA-N 1 1 293.798 3.073 20 10 CGCDMO C[N@@H+](Cc1ccc2ccccc2c1O)C1CCOCC1 ZINC001231878297 818197103 /nfs/dbraw/zinc/19/71/03/818197103.db2.gz HIYKMUTWOMJMNN-UHFFFAOYSA-N 1 1 271.360 3.156 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1cccc2c1OCCO2 ZINC001231886067 818201843 /nfs/dbraw/zinc/20/18/43/818201843.db2.gz BMFVUFVIJWNUDN-UHFFFAOYSA-N 1 1 299.370 3.186 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)[C@@H](C)CO1 ZINC001231883241 818202732 /nfs/dbraw/zinc/20/27/32/818202732.db2.gz MXZAJESWTHIBLM-QWHCGFSZSA-N 1 1 271.360 3.155 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001231909401 818208395 /nfs/dbraw/zinc/20/83/95/818208395.db2.gz CJFHXIWVMQHNDM-HNNXBMFYSA-N 1 1 281.783 3.191 20 10 CGCDMO [O-]c1c(Cl)cccc1CN1CC2(C1)CC(F)(F)C2 ZINC001231909378 818208418 /nfs/dbraw/zinc/20/84/18/818208418.db2.gz KUPCMVXEAZAZEF-UHFFFAOYSA-N 1 1 273.710 3.277 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@]1(C)O ZINC001231909896 818209529 /nfs/dbraw/zinc/20/95/29/818209529.db2.gz SVMQCKITFJOTBM-ABAIWWIYSA-N 1 1 283.799 3.029 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc(CF)n2)cc1 ZINC001232538140 818380758 /nfs/dbraw/zinc/38/07/58/818380758.db2.gz MVUVAJWQHWQXJM-UHFFFAOYSA-N 1 1 287.382 3.249 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)CC2CCCC2)c(O)c1 ZINC001232839334 818453198 /nfs/dbraw/zinc/45/31/98/818453198.db2.gz GQQJINQLDXZQCI-UHFFFAOYSA-N 1 1 262.397 3.080 20 10 CGCDMO CC[N@@H+](Cc1cnn2ccccc12)Cc1ccccc1O ZINC001233239142 818550088 /nfs/dbraw/zinc/55/00/88/818550088.db2.gz FPNXGENTCSPTRO-UHFFFAOYSA-N 1 1 281.359 3.062 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@]3(CCCO3)C2)c1 ZINC001233284299 818567582 /nfs/dbraw/zinc/56/75/82/818567582.db2.gz PNZWOEVQVBXVEP-GOSISDBHSA-N 1 1 289.419 3.445 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)[C@@H]1CO ZINC001233284552 818567657 /nfs/dbraw/zinc/56/76/57/818567657.db2.gz ZCUUTHVQMFSKFJ-XJKSGUPXSA-N 1 1 291.435 3.283 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@](C)(CF)C2)c1O ZINC001233287761 818569614 /nfs/dbraw/zinc/56/96/14/818569614.db2.gz GUJBAOYQDQFBKO-AWEZNQCLSA-N 1 1 287.762 3.236 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](F)CC2)c1O ZINC001233287895 818570847 /nfs/dbraw/zinc/57/08/47/818570847.db2.gz LTNFWAVMDOVART-GFCCVEGCSA-N 1 1 287.762 3.378 20 10 CGCDMO CCC[N@@H+](Cc1c(O)ccc(F)c1F)CC1CC1 ZINC001233331769 818582981 /nfs/dbraw/zinc/58/29/81/818582981.db2.gz KAXLSIMFJODZGL-UHFFFAOYSA-N 1 1 255.308 3.292 20 10 CGCDMO CCC[N@H+](Cc1c(O)ccc(F)c1F)CC1CC1 ZINC001233331769 818582984 /nfs/dbraw/zinc/58/29/84/818582984.db2.gz KAXLSIMFJODZGL-UHFFFAOYSA-N 1 1 255.308 3.292 20 10 CGCDMO C[C@H]1CCC[N@H+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233332636 818584158 /nfs/dbraw/zinc/58/41/58/818584158.db2.gz RYMFHXAMPRXYBC-JTQLQIEISA-N 1 1 255.308 3.292 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233332636 818584160 /nfs/dbraw/zinc/58/41/60/818584160.db2.gz RYMFHXAMPRXYBC-JTQLQIEISA-N 1 1 255.308 3.292 20 10 CGCDMO CC(C)OC1CC[NH+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233334784 818585392 /nfs/dbraw/zinc/58/53/92/818585392.db2.gz SZVGUNJHXJQVTG-UHFFFAOYSA-N 1 1 285.334 3.060 20 10 CGCDMO Oc1c(C[NH+]2CC3CC(C3)C2)cccc1C(F)(F)F ZINC001233419301 818614502 /nfs/dbraw/zinc/61/45/02/818614502.db2.gz SLRHMTICOZRPHR-UHFFFAOYSA-N 1 1 271.282 3.253 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CCC[C@H]2c2cccs2)cc1O ZINC001233485159 818625575 /nfs/dbraw/zinc/62/55/75/818625575.db2.gz LCERNQJYWQUURM-NSHDSACASA-N 1 1 291.372 3.202 20 10 CGCDMO Oc1c(C[N@H+]2CCC[C@@H]2CF)cccc1OC(F)(F)F ZINC001233776163 818702736 /nfs/dbraw/zinc/70/27/36/818702736.db2.gz LRLNKDVQNPRTQZ-SNVBAGLBSA-N 1 1 293.260 3.225 20 10 CGCDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234992987 818969958 /nfs/dbraw/zinc/96/99/58/818969958.db2.gz UMMXZUSHAADCFK-CJNGLKHVSA-N 1 1 283.371 3.014 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CCOCC23CC3)c(O)c1 ZINC001235677858 819138590 /nfs/dbraw/zinc/13/85/90/819138590.db2.gz HUYKMWZJIPIVLH-UHFFFAOYSA-N 1 1 275.392 3.055 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CCCC3(COC3)C2)c(O)c1 ZINC001235682141 819140603 /nfs/dbraw/zinc/14/06/03/819140603.db2.gz NWJZDKIAFVEPLG-UHFFFAOYSA-N 1 1 289.419 3.302 20 10 CGCDMO C[NH2+]C[C@H]1CCN(Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001236067700 819298487 /nfs/dbraw/zinc/29/84/87/819298487.db2.gz UDYNYIBIYWTGAF-QGZVFWFLSA-N 1 1 297.446 3.135 20 10 CGCDMO CCc1ccc(C[N@H+]2CCc3cc(N)ccc3C2)c(O)c1 ZINC001236105088 819321366 /nfs/dbraw/zinc/32/13/66/819321366.db2.gz FUGYKFHZYKWNJC-UHFFFAOYSA-N 1 1 282.387 3.095 20 10 CGCDMO COc1ccc(C[N@@H+]2CC[C@](C)(CF)C2)c(O)c1Cl ZINC001236802532 819601220 /nfs/dbraw/zinc/60/12/20/819601220.db2.gz RZHNXKKLZCEOFQ-CQSZACIVSA-N 1 1 287.762 3.236 20 10 CGCDMO COc1ccc(C[N@H+]2CC[C@](C)(CF)C2)c(O)c1Cl ZINC001236802532 819601228 /nfs/dbraw/zinc/60/12/28/819601228.db2.gz RZHNXKKLZCEOFQ-CQSZACIVSA-N 1 1 287.762 3.236 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CC[C@@H](C)C[C@@H]2C)c(O)c1 ZINC001236810214 819603720 /nfs/dbraw/zinc/60/37/20/819603720.db2.gz DHQNYKFKLBVZJJ-YPMHNXCESA-N 1 1 263.381 3.330 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC[C@@H]2C(C)(C)OC)c(O)c1 ZINC001236810435 819604361 /nfs/dbraw/zinc/60/43/61/819604361.db2.gz GWPWLMIXBDRPHE-MRXNPFEDSA-N 1 1 293.407 3.099 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2O)CCCC1=O ZINC001236826854 819610626 /nfs/dbraw/zinc/61/06/26/819610626.db2.gz OONMXNZRTWOWCI-CYBMUJFWSA-N 1 1 283.371 3.346 20 10 CGCDMO Cc1ncc(C[N@H+](C)Cc2cc3ccccc3cc2O)cn1 ZINC001236837118 819617236 /nfs/dbraw/zinc/61/72/36/819617236.db2.gz OKPHXTPHNLZBSO-UHFFFAOYSA-N 1 1 293.370 3.276 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@H+]1CCN2CCCC[C@H]2C1 ZINC001236842520 819618674 /nfs/dbraw/zinc/61/86/74/819618674.db2.gz WROZGDFXBWMQQO-SFHVURJKSA-N 1 1 296.414 3.216 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCc3ncccc3C2)c(O)c1 ZINC001237053880 819655498 /nfs/dbraw/zinc/65/54/98/819655498.db2.gz PNWWTIUJFOXWHX-UHFFFAOYSA-N 1 1 282.387 3.469 20 10 CGCDMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C(F)(F)F)ccc1O ZINC001237136701 819675266 /nfs/dbraw/zinc/67/52/66/819675266.db2.gz UFDKAKHJKKEROO-TXEJJXNPSA-N 1 1 299.292 3.107 20 10 CGCDMO CC[N@@H+](Cc1cc2ccccn2n1)Cc1ccccc1O ZINC001237448714 819751643 /nfs/dbraw/zinc/75/16/43/819751643.db2.gz DZOMOZBCTYQHGA-UHFFFAOYSA-N 1 1 281.359 3.062 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@](C)(F)CC1 ZINC001237484564 819762710 /nfs/dbraw/zinc/76/27/10/819762710.db2.gz FYDRHKSBPCLSNH-OAHLLOKOSA-N 1 1 251.345 3.415 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCCC[C@H]1CN1CCCC1 ZINC001237490605 819763653 /nfs/dbraw/zinc/76/36/53/819763653.db2.gz XJYFWBCOLLQFBZ-INIZCTEOSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1cccc(O)c1CN1CCCC[C@H]1C[NH+]1CCCC1 ZINC001237490605 819763658 /nfs/dbraw/zinc/76/36/58/819763658.db2.gz XJYFWBCOLLQFBZ-INIZCTEOSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](F)C[C@H]2C)c1O ZINC001237680667 819805117 /nfs/dbraw/zinc/80/51/17/819805117.db2.gz GRNUSKVXPODFKL-SKDRFNHKSA-N 1 1 257.736 3.286 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(C2)CCCCO3)c1O ZINC001237682184 819806525 /nfs/dbraw/zinc/80/65/25/819806525.db2.gz ZUNWHCCESOVIQU-INIZCTEOSA-N 1 1 295.810 3.499 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc3c2OCC3)cc1 ZINC001237752749 819837680 /nfs/dbraw/zinc/83/76/80/819837680.db2.gz ITFLRIMSRFDPHO-UHFFFAOYSA-N 1 1 296.414 3.320 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c1O ZINC001238061944 819920787 /nfs/dbraw/zinc/92/07/87/819920787.db2.gz MEJRRWKDMFYJQR-ZDUSSCGKSA-N 1 1 271.282 3.071 20 10 CGCDMO C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC001345481976 936812061 /nfs/dbraw/zinc/81/20/61/936812061.db2.gz JDFKJARRRVBXTL-QWHCGFSZSA-N 1 1 272.392 3.194 20 10 CGCDMO Cc1ncc(C[NH2+][C@H](C)c2c(O)cccc2F)s1 ZINC001350085881 936977732 /nfs/dbraw/zinc/97/77/32/936977732.db2.gz NQYUJZBGEVRSNE-MRVPVSSYSA-N 1 1 266.341 3.147 20 10 CGCDMO Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1cc(N)cc[nH+]1 ZINC001350955166 937003981 /nfs/dbraw/zinc/00/39/81/937003981.db2.gz GXVREAVQCYMDSF-BXUZGUMPSA-N 1 1 283.375 3.016 20 10 CGCDMO Nc1ccc(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC001352789544 937049369 /nfs/dbraw/zinc/04/93/69/937049369.db2.gz KKDDYALLGFICAU-KRWDZBQOSA-N 1 1 268.360 3.312 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC001474393367 937205411 /nfs/dbraw/zinc/20/54/11/937205411.db2.gz OWLSWPOPJBNKGB-WBMJQRKESA-N 1 1 264.388 3.241 20 10 CGCDMO CCC[C@@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)CCO1 ZINC001461958714 928769989 /nfs/dbraw/zinc/76/99/89/928769989.db2.gz KDUJJORCXBQFOZ-CYBMUJFWSA-N 1 1 283.799 3.355 20 10 CGCDMO CCC[C@@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2O)CCO1 ZINC001461958714 928769997 /nfs/dbraw/zinc/76/99/97/928769997.db2.gz KDUJJORCXBQFOZ-CYBMUJFWSA-N 1 1 283.799 3.355 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC2(CCCC2)O1 ZINC001460346255 937528137 /nfs/dbraw/zinc/52/81/37/937528137.db2.gz WDBRGYGOJWULKM-OAHLLOKOSA-N 1 1 288.435 3.286 20 10 CGCDMO Cc1c2ccccc2n(C)c1CN[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001461253843 937572095 /nfs/dbraw/zinc/57/20/95/937572095.db2.gz GTORQTCLJOHSLV-HZPDHXFCSA-N 1 1 299.462 3.449 20 10 CGCDMO CCn1c2ccccc2nc1C[NH2+]Cc1cccc(F)c1O ZINC001462061458 937615133 /nfs/dbraw/zinc/61/51/33/937615133.db2.gz GHWQSKCGZXULJQ-UHFFFAOYSA-N 1 1 299.349 3.191 20 10 CGCDMO CC[C@H](C)N1CC[NH+](Cc2cc(C(C)C)ccc2O)CC1 ZINC001462253113 937627435 /nfs/dbraw/zinc/62/74/35/937627435.db2.gz XRQKCRLSBVEEIP-HNNXBMFYSA-N 1 1 290.451 3.432 20 10 CGCDMO Cc1ccoc1C[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001462282030 937630042 /nfs/dbraw/zinc/63/00/42/937630042.db2.gz UTOOMERFGLSEKL-UHFFFAOYSA-N 1 1 267.275 3.204 20 10 CGCDMO Cc1ccoc1C[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001462282030 937630043 /nfs/dbraw/zinc/63/00/43/937630043.db2.gz UTOOMERFGLSEKL-UHFFFAOYSA-N 1 1 267.275 3.204 20 10 CGCDMO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1O)CC(F)F ZINC001462372535 937636160 /nfs/dbraw/zinc/63/61/60/937636160.db2.gz FKDBECIXNLZWND-MRVPVSSYSA-N 1 1 263.715 3.427 20 10 CGCDMO CCCC[N@H+](C)C[C@@H](C)NCc1ccc(N(C)C)cc1C ZINC001308798212 933179339 /nfs/dbraw/zinc/17/93/39/933179339.db2.gz VPGSXJNBVBOOIF-MRXNPFEDSA-N 1 1 291.483 3.271 20 10 CGCDMO CCCC[N@@H+](C)C[C@@H](C)NCc1ccc(N(C)C)cc1C ZINC001308798212 933179340 /nfs/dbraw/zinc/17/93/40/933179340.db2.gz VPGSXJNBVBOOIF-MRXNPFEDSA-N 1 1 291.483 3.271 20 10 CGCDMO COc1cc(C)c(C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)c(O)c1 ZINC001308827308 933185194 /nfs/dbraw/zinc/18/51/94/933185194.db2.gz ZCDNXLAXCYWLMW-RWMBFGLXSA-N 1 1 263.381 3.186 20 10 CGCDMO COc1cc(C)c(C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c(O)c1 ZINC001308827310 933185686 /nfs/dbraw/zinc/18/56/86/933185686.db2.gz ZCDNXLAXCYWLMW-YNEHKIRRSA-N 1 1 263.381 3.186 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c(O)c1 ZINC001308846119 933188971 /nfs/dbraw/zinc/18/89/71/933188971.db2.gz NGWJNNASSPQKQU-HNNXBMFYSA-N 1 1 297.345 3.330 20 10 CGCDMO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC001320411272 934044481 /nfs/dbraw/zinc/04/44/81/934044481.db2.gz LDCYTRDFDPVLBH-OSAQELSMSA-N 1 1 297.402 3.119 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001324275757 934480478 /nfs/dbraw/zinc/48/04/78/934480478.db2.gz VCKDCUUMSXKPNA-BONVTDFDSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001324275757 934480482 /nfs/dbraw/zinc/48/04/82/934480482.db2.gz VCKDCUUMSXKPNA-BONVTDFDSA-N 1 1 299.773 3.186 20 10 CGCDMO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001324711561 934554450 /nfs/dbraw/zinc/55/44/50/934554450.db2.gz GMAPTSNJZVUUAZ-WBVHZDCISA-N 1 1 288.435 3.286 20 10 CGCDMO CC[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1C ZINC001473403261 937805680 /nfs/dbraw/zinc/80/56/80/937805680.db2.gz TUCYKGKLTLRFMB-WBVHZDCISA-N 1 1 288.435 3.144 20 10 CGCDMO Cc1nccnc1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC001330657981 935308356 /nfs/dbraw/zinc/30/83/56/935308356.db2.gz ROJJLBFHURREGK-UHFFFAOYSA-N 1 1 298.434 3.262 20 10 CGCDMO CCCOc1ccc(C[NH2+]Cc2cnc(C)o2)cc1C ZINC001331042262 935344799 /nfs/dbraw/zinc/34/47/99/935344799.db2.gz XMKVQJNYWCXUFE-UHFFFAOYSA-N 1 1 274.364 3.370 20 10 CGCDMO OC[C@H]1CCCCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001331963807 935427210 /nfs/dbraw/zinc/42/72/10/935427210.db2.gz IHMPFGBSOOMLOS-GOSISDBHSA-N 1 1 288.435 3.024 20 10 CGCDMO Nc1ccc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC001336285248 936186291 /nfs/dbraw/zinc/18/62/91/936186291.db2.gz KGQPSHSKDAVVGC-MRXNPFEDSA-N 1 1 296.370 3.335 20 10 CGCDMO CC[C@@]1(C)CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001474349030 937853631 /nfs/dbraw/zinc/85/36/31/937853631.db2.gz NYOUFIHPZSYXKR-AWEZNQCLSA-N 1 1 255.308 3.292 20 10 CGCDMO CC[C@@]1(C)CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001474349030 937853633 /nfs/dbraw/zinc/85/36/33/937853633.db2.gz NYOUFIHPZSYXKR-AWEZNQCLSA-N 1 1 255.308 3.292 20 10 CGCDMO Cc1ccc(C[NH2+]Cc2nc(-c3ccccc3)no2)c(O)c1 ZINC001474426409 937859309 /nfs/dbraw/zinc/85/93/09/937859309.db2.gz YFCVYKFVMUHEDR-UHFFFAOYSA-N 1 1 295.342 3.040 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC001474490910 937862800 /nfs/dbraw/zinc/86/28/00/937862800.db2.gz OFVBRIMHIKYUJV-KRWDZBQOSA-N 1 1 290.451 3.308 20 10 CGCDMO c1ccc2oc(C[NH2+]Cc3ccc4c(c3)CCO4)nc2c1 ZINC001560302816 938252121 /nfs/dbraw/zinc/25/21/21/938252121.db2.gz MPHLIKDHVCLMAF-UHFFFAOYSA-N 1 1 280.327 3.053 20 10 CGCDMO Cc1cc(O)c(CNCCC[N@H+](C)CC(C)C)c(Cl)c1 ZINC001560523550 938261511 /nfs/dbraw/zinc/26/15/11/938261511.db2.gz JEEJTQFLAWUVLK-UHFFFAOYSA-N 1 1 298.858 3.422 20 10 CGCDMO [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC001560664221 938268787 /nfs/dbraw/zinc/26/87/87/938268787.db2.gz JBDCQOTZWJPEHM-CQSZACIVSA-N 1 1 289.325 3.487 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC001560664221 938268789 /nfs/dbraw/zinc/26/87/89/938268789.db2.gz JBDCQOTZWJPEHM-CQSZACIVSA-N 1 1 289.325 3.487 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC001560664221 938268791 /nfs/dbraw/zinc/26/87/91/938268791.db2.gz JBDCQOTZWJPEHM-CQSZACIVSA-N 1 1 289.325 3.487 20 10 CGCDMO CCCN1CC[NH+](Cc2cc(C(C)C)ccc2O)CC1 ZINC001560724626 938272455 /nfs/dbraw/zinc/27/24/55/938272455.db2.gz PRPNTRXOIDLITE-UHFFFAOYSA-N 1 1 276.424 3.043 20 10 CGCDMO CC[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2O)[C@H]1C ZINC001560772352 938275179 /nfs/dbraw/zinc/27/51/79/938275179.db2.gz VSWJGAJGXZISEA-RYUDHWBXSA-N 1 1 279.380 3.030 20 10 CGCDMO CN1CC[N@@H+](Cc2ccc3ccccc3c2O)CCC1(C)C ZINC001560953667 938286105 /nfs/dbraw/zinc/28/61/05/938286105.db2.gz TWGHZJIDUAKBKA-UHFFFAOYSA-N 1 1 298.430 3.462 20 10 CGCDMO CC(C)c1ccc(O)c(C[NH2+]C2(c3ncccn3)CCC2)c1 ZINC001560985288 938288165 /nfs/dbraw/zinc/28/81/65/938288165.db2.gz VXHOBIUVBZXXOA-UHFFFAOYSA-N 1 1 297.402 3.475 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]Cc1cc(F)cc(F)c1 ZINC001561016280 938289584 /nfs/dbraw/zinc/28/95/84/938289584.db2.gz SJYYVZHDLUAAPW-UHFFFAOYSA-N 1 1 267.250 3.099 20 10 CGCDMO Nc1ccc(C[N@H+]2CCCN(c3ccccc3F)CC2)cc1 ZINC001580443539 962723560 /nfs/dbraw/zinc/72/35/60/962723560.db2.gz OIRJMIPOOFLVKB-UHFFFAOYSA-N 1 1 299.393 3.120 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000179950802 346254276 /nfs/dbraw/zinc/25/42/76/346254276.db2.gz HKIYRJNYSCAPPV-GFCCVEGCSA-N 1 1 273.298 3.475 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](OCC(C)C)C2)c1 ZINC000091964635 370082979 /nfs/dbraw/zinc/08/29/79/370082979.db2.gz PUJUAKRVHFCFKZ-MRXNPFEDSA-N 1 1 293.407 3.038 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)CN(C)C)c1cc(Cl)c(Cl)cc1O ZINC000286988453 371586747 /nfs/dbraw/zinc/58/67/47/371586747.db2.gz JJYCBIIOYNGJKE-DTWKUNHWSA-N 1 1 291.222 3.300 20 10 CGCDMO CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1cccc(Cl)c1[O-] ZINC000287681904 371693053 /nfs/dbraw/zinc/69/30/53/371693053.db2.gz MROFXGIFVOEUDE-AWEZNQCLSA-N 1 1 293.798 3.291 20 10 CGCDMO COC[C@H]1CC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000293729719 372465029 /nfs/dbraw/zinc/46/50/29/372465029.db2.gz UTMJVCANYVLNPA-QGZVFWFLSA-N 1 1 283.371 3.280 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000293842480 372499420 /nfs/dbraw/zinc/49/94/20/372499420.db2.gz BCUGFOAVVSTGFN-HOTGVXAUSA-N 1 1 293.794 3.189 20 10 CGCDMO COc1ccc(C[NH2+]Cc2cc(F)cnc2Cl)cc1C ZINC000295187120 372697610 /nfs/dbraw/zinc/69/76/10/372697610.db2.gz WTKQILUZNJMAJM-UHFFFAOYSA-N 1 1 294.757 3.481 20 10 CGCDMO C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3C)c2nccn21 ZINC000297634822 373277319 /nfs/dbraw/zinc/27/73/19/373277319.db2.gz JMYPWZYLUMLKJK-XJKSGUPXSA-N 1 1 296.418 3.061 20 10 CGCDMO Cc1cccc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c1O ZINC000179604926 373893065 /nfs/dbraw/zinc/89/30/65/373893065.db2.gz OEJAHVFZNLIURK-UHFFFAOYSA-N 1 1 285.343 3.061 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](C)[C@H](C)c2ccccn2)c1 ZINC000183677163 374440975 /nfs/dbraw/zinc/44/09/75/374440975.db2.gz PLXBDUMYNHFGRS-CYBMUJFWSA-N 1 1 256.349 3.289 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)[C@H](C)c2cccnc2)c1O ZINC000183724767 374446407 /nfs/dbraw/zinc/44/64/07/374446407.db2.gz WEGLDAHCKRTIMW-CYBMUJFWSA-N 1 1 286.375 3.379 20 10 CGCDMO C[C@@H](O)c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000185119671 374592417 /nfs/dbraw/zinc/59/24/17/374592417.db2.gz KPLOXPUZYWHABV-NWDGAFQWSA-N 1 1 289.350 3.435 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000191603756 375644467 /nfs/dbraw/zinc/64/44/67/375644467.db2.gz QRJQCNDNDHHNHI-YGRLFVJLSA-N 1 1 299.773 3.232 20 10 CGCDMO CCC[N@@H+](CCCn1ccnc1C)Cc1ccccc1O ZINC000270680574 378387296 /nfs/dbraw/zinc/38/72/96/378387296.db2.gz UOAWMRIWDILHRY-UHFFFAOYSA-N 1 1 287.407 3.199 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](COC)C2)cc1F ZINC000271199746 378482412 /nfs/dbraw/zinc/48/24/12/378482412.db2.gz SSDBXWDATAKFFO-HNNXBMFYSA-N 1 1 294.414 3.140 20 10 CGCDMO C[N@@H+](CCc1nccs1)Cc1c(O)cccc1Cl ZINC000271218788 378483388 /nfs/dbraw/zinc/48/33/88/378483388.db2.gz OAAQOUCIZYLHKS-UHFFFAOYSA-N 1 1 282.796 3.177 20 10 CGCDMO CCC[N@@H+](Cc1cccc(Cl)c1[O-])CC(C)(C)O ZINC000271730186 378502121 /nfs/dbraw/zinc/50/21/21/378502121.db2.gz MXGSKVZIYLAADG-UHFFFAOYSA-N 1 1 271.788 3.029 20 10 CGCDMO C[C@@H]([NH2+]CCCc1nccs1)c1ccc(F)cc1O ZINC000273350817 378741919 /nfs/dbraw/zinc/74/19/19/378741919.db2.gz BSLLXKPJHOGMNM-SNVBAGLBSA-N 1 1 280.368 3.271 20 10 CGCDMO CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000273382965 378744198 /nfs/dbraw/zinc/74/41/98/378744198.db2.gz ITVBVAHDJMTAPA-GJZGRUSLSA-N 1 1 276.424 3.001 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCCC[C@H]2c2ccnn2C)cc1C ZINC000281366171 379831538 /nfs/dbraw/zinc/83/15/38/379831538.db2.gz VEEUWXKXJVRQNC-KRWDZBQOSA-N 1 1 299.418 3.470 20 10 CGCDMO CC[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(F)cc1O ZINC000286141263 380165667 /nfs/dbraw/zinc/16/56/67/380165667.db2.gz OYSCGIQKCIGEQP-WCQYABFASA-N 1 1 269.385 3.468 20 10 CGCDMO CC[C@H]([NH2+]C[C@H](C)SC)c1ccc(F)cc1O ZINC000286170330 380171092 /nfs/dbraw/zinc/17/10/92/380171092.db2.gz PTULTAOPXXQSDJ-CABZTGNLSA-N 1 1 257.374 3.324 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1[O-] ZINC000285572351 380150231 /nfs/dbraw/zinc/15/02/31/380150231.db2.gz IBGAKMCRZXUSFV-LRDDRELGSA-N 1 1 292.398 3.056 20 10 CGCDMO CC[N@@H+](Cc1cc(Cl)cc(OC)c1O)C(C)C ZINC000184677644 262025934 /nfs/dbraw/zinc/02/59/34/262025934.db2.gz OBMGMDKCIKCAQY-UHFFFAOYSA-N 1 1 257.761 3.285 20 10 CGCDMO COc1cccc(C[N@H+]2CCc3ccc(F)cc3C2)c1O ZINC000093383785 392237965 /nfs/dbraw/zinc/23/79/65/392237965.db2.gz AYKHQQTWQBILKT-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO CCC[N@H+](Cc1cscn1)Cc1ccccc1O ZINC000174373202 392640515 /nfs/dbraw/zinc/64/05/15/392640515.db2.gz BWIGKMGMGHJHCD-UHFFFAOYSA-N 1 1 262.378 3.261 20 10 CGCDMO CCC[N@@H+](Cc1cscn1)Cc1ccccc1O ZINC000174373202 392640522 /nfs/dbraw/zinc/64/05/22/392640522.db2.gz BWIGKMGMGHJHCD-UHFFFAOYSA-N 1 1 262.378 3.261 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCc2ccc(F)cc2C1 ZINC000179574796 392703821 /nfs/dbraw/zinc/70/38/21/392703821.db2.gz ORVKCGJMRAXAEI-UHFFFAOYSA-N 1 1 257.308 3.090 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000179580732 392704363 /nfs/dbraw/zinc/70/43/63/392704363.db2.gz ANSRTAGCJGKQFQ-DZGCQCFKSA-N 1 1 263.406 3.252 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000179582133 392704795 /nfs/dbraw/zinc/70/47/95/392704795.db2.gz NKPWQRHDXGPYPC-HNNXBMFYSA-N 1 1 275.373 3.027 20 10 CGCDMO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCc3c[nH]nc32)c1 ZINC000273520658 393275234 /nfs/dbraw/zinc/27/52/34/393275234.db2.gz UHPLXHZSGARYPD-RISCZKNCSA-N 1 1 271.364 3.152 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+](C)Cc2cccnc2)c1O ZINC000184713219 262027227 /nfs/dbraw/zinc/02/72/27/262027227.db2.gz YASXSNZUHOQZOS-UHFFFAOYSA-N 1 1 292.766 3.081 20 10 CGCDMO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000185098893 262040994 /nfs/dbraw/zinc/04/09/94/262040994.db2.gz NMGPCTIGCZBYHU-SJCJKPOMSA-N 1 1 289.350 3.224 20 10 CGCDMO Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185501372 262057191 /nfs/dbraw/zinc/05/71/91/262057191.db2.gz NPPUOBAUXDUJSN-VHSXEESVSA-N 1 1 292.354 3.418 20 10 CGCDMO CC[N@H+](Cc1cc(Cl)cc(OC)c1O)C[C@H]1CCCO1 ZINC000184683385 262291492 /nfs/dbraw/zinc/29/14/92/262291492.db2.gz YNCUGCQXPGMHRG-CYBMUJFWSA-N 1 1 299.798 3.055 20 10 CGCDMO COc1cccc(C[N@H+]2CC(C)(C)[C@H]2c2ccncc2)c1O ZINC000294094219 265007248 /nfs/dbraw/zinc/00/72/48/265007248.db2.gz ZTAFHIOSXNLIDI-QGZVFWFLSA-N 1 1 298.386 3.379 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](c3ccncn3)C2)cc1C ZINC000367475264 267092174 /nfs/dbraw/zinc/09/21/74/267092174.db2.gz VMCZROZJRJXQCE-OAHLLOKOSA-N 1 1 297.402 3.179 20 10 CGCDMO CCCc1nc(C)c(C[NH2+]Cc2ccc3c(c2)CCO3)o1 ZINC000291681908 328265621 /nfs/dbraw/zinc/26/56/21/328265621.db2.gz HWQOQJKRJHDVEN-UHFFFAOYSA-N 1 1 286.375 3.160 20 10 CGCDMO COCc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000091956719 327188162 /nfs/dbraw/zinc/18/81/62/327188162.db2.gz FYYSJLFWEFOTPM-UHFFFAOYSA-N 1 1 271.360 3.171 20 10 CGCDMO Oc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000378494314 329052939 /nfs/dbraw/zinc/05/29/39/329052939.db2.gz KQNYFVRCJJMXFZ-MJGOQNOKSA-N 1 1 297.398 3.480 20 10 CGCDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccccc2O)C1 ZINC000185230306 329269162 /nfs/dbraw/zinc/26/91/62/329269162.db2.gz ASYWHVBXOWNPBB-XJKSGUPXSA-N 1 1 268.360 3.370 20 10 CGCDMO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000274906361 519421293 /nfs/dbraw/zinc/42/12/93/519421293.db2.gz IOMXHKVSCRCBKN-HUUCEWRRSA-N 1 1 281.371 3.215 20 10 CGCDMO CC(C)[N@@H+](Cc1ccco1)Cc1cc2c(cc1O)OCO2 ZINC000299390083 519660796 /nfs/dbraw/zinc/66/07/96/519660796.db2.gz QZUGCRHJWNNWAW-UHFFFAOYSA-N 1 1 289.331 3.125 20 10 CGCDMO CCCC[N@H+](C)C[C@@H](C)N[C@H](C)c1cc(OC)ccc1O ZINC000289820184 520412966 /nfs/dbraw/zinc/41/29/66/520412966.db2.gz OYLMHUSBDIDCCX-ZIAGYGMSSA-N 1 1 294.439 3.172 20 10 CGCDMO CCCC[N@@H+](C)C[C@@H](C)N[C@H](C)c1cc(OC)ccc1O ZINC000289820184 520412971 /nfs/dbraw/zinc/41/29/71/520412971.db2.gz OYLMHUSBDIDCCX-ZIAGYGMSSA-N 1 1 294.439 3.172 20 10 CGCDMO CC[N@@H+](Cc1cccc(C)c1O)[C@@H]1CCOC(C)(C)C1 ZINC000291689602 521340445 /nfs/dbraw/zinc/34/04/45/521340445.db2.gz XYEBLOWAYMJYIY-OAHLLOKOSA-N 1 1 277.408 3.480 20 10 CGCDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc(F)ccc2O)[nH]1 ZINC000277340650 522052580 /nfs/dbraw/zinc/05/25/80/522052580.db2.gz UZLPDRDOJDNKEH-VHSXEESVSA-N 1 1 292.358 3.014 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](CCc2ccccn2)C2CC2)cc1 ZINC000264017845 522173023 /nfs/dbraw/zinc/17/30/23/522173023.db2.gz LBVTVIXVVLTCGA-UHFFFAOYSA-N 1 1 295.430 3.355 20 10 CGCDMO CCc1nocc1C[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000293399571 522932374 /nfs/dbraw/zinc/93/23/74/522932374.db2.gz LLMURAHUQIJTJH-UHFFFAOYSA-N 1 1 287.407 3.243 20 10 CGCDMO COc1ccc(C[NH2+]Cc2nc(C)cs2)cc1C ZINC000037988494 524073945 /nfs/dbraw/zinc/07/39/45/524073945.db2.gz JOHUQXRJNIXQHD-UHFFFAOYSA-N 1 1 262.378 3.058 20 10 CGCDMO Cc1cccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1O ZINC000290947597 524386578 /nfs/dbraw/zinc/38/65/78/524386578.db2.gz QJAOXEGVLKMTRQ-WBVHZDCISA-N 1 1 287.403 3.234 20 10 CGCDMO C[C@@H](CCO)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000278652492 524507790 /nfs/dbraw/zinc/50/77/90/524507790.db2.gz IFJLSGPHFRURAY-IUCAKERBSA-N 1 1 292.206 3.368 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2c2nccs2)c1 ZINC000374299478 525343589 /nfs/dbraw/zinc/34/35/89/525343589.db2.gz BNIGOALIFNZQPB-ZDUSSCGKSA-N 1 1 274.389 3.494 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCOC1)c1cc(Cl)c(Cl)cc1O ZINC000278336704 525419218 /nfs/dbraw/zinc/41/92/18/525419218.db2.gz XADDQEQNGAXICI-DTWKUNHWSA-N 1 1 290.190 3.386 20 10 CGCDMO C[C@@H](NCC[N@H+](C)C1CCCC1)c1cc(F)ccc1O ZINC000094618200 525445043 /nfs/dbraw/zinc/44/50/43/525445043.db2.gz DMNNVLQFEDCMAC-GFCCVEGCSA-N 1 1 280.387 3.056 20 10 CGCDMO C[C@@H](NCC[N@@H+](C)C1CCCC1)c1cc(F)ccc1O ZINC000094618200 525445057 /nfs/dbraw/zinc/44/50/57/525445057.db2.gz DMNNVLQFEDCMAC-GFCCVEGCSA-N 1 1 280.387 3.056 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H](C)N(C)C)c1cc(Cl)c(Cl)cc1O ZINC000278890110 525472583 /nfs/dbraw/zinc/47/25/83/525472583.db2.gz YNUAZTZYCJHXFL-RKDXNWHRSA-N 1 1 291.222 3.300 20 10 CGCDMO C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(F)cc1O ZINC000062747995 525536630 /nfs/dbraw/zinc/53/66/30/525536630.db2.gz FSMHGLBERCKHSD-SNVBAGLBSA-N 1 1 289.306 3.111 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(F)cc1O ZINC000062745003 525615291 /nfs/dbraw/zinc/61/52/91/525615291.db2.gz NLMPAYNEDFIOKZ-MNOVXSKESA-N 1 1 260.312 3.338 20 10 CGCDMO Cc1csc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)n1 ZINC000129324941 526340956 /nfs/dbraw/zinc/34/09/56/526340956.db2.gz MEHFABJCWUXSCT-UHFFFAOYSA-N 1 1 275.421 3.150 20 10 CGCDMO Cc1csc(C[N@H+](C)Cc2ccc(N(C)C)cc2)n1 ZINC000129324941 526340960 /nfs/dbraw/zinc/34/09/60/526340960.db2.gz MEHFABJCWUXSCT-UHFFFAOYSA-N 1 1 275.421 3.150 20 10 CGCDMO CC[C@@H]1CCCC[N@@H+]1CCNCc1c(O)cccc1Cl ZINC000733330299 572557684 /nfs/dbraw/zinc/55/76/84/572557684.db2.gz SBUDQOWXXJMBDH-CYBMUJFWSA-N 1 1 296.842 3.400 20 10 CGCDMO CC[C@@H]1CCCC[N@H+]1CCNCc1c(O)cccc1Cl ZINC000733330299 572557686 /nfs/dbraw/zinc/55/76/86/572557686.db2.gz SBUDQOWXXJMBDH-CYBMUJFWSA-N 1 1 296.842 3.400 20 10 CGCDMO COc1cc(C[N@H+]2CCS[C@H](C(C)C)C2)c(O)cc1C ZINC000160319231 617954131 /nfs/dbraw/zinc/95/41/31/617954131.db2.gz SWUYOFRIOZKPLU-INIZCTEOSA-N 1 1 295.448 3.283 20 10 CGCDMO CC[C@H](C)C[N@@H+](CC)Cc1cc(OC)c(OC)cc1O ZINC000160352763 618019483 /nfs/dbraw/zinc/01/94/83/618019483.db2.gz WLEHKKVPQXGDLQ-LBPRGKRZSA-N 1 1 281.396 3.277 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121241660 618100875 /nfs/dbraw/zinc/10/08/75/618100875.db2.gz BEOAZZAKOSBBDI-LLVKDONJSA-N 1 1 291.782 3.148 20 10 CGCDMO CC[N@@H+](Cc1cccs1)Cc1cc2c(cc1O)OCO2 ZINC000022363339 618157116 /nfs/dbraw/zinc/15/71/16/618157116.db2.gz GIIJJVMFHOWEJG-UHFFFAOYSA-N 1 1 291.372 3.205 20 10 CGCDMO COc1ccc(C[N@@H+](CC(C)C)C(C)C)c(O)c1OC ZINC000891700471 618249271 /nfs/dbraw/zinc/24/92/71/618249271.db2.gz WEFVBDSJVGRULO-UHFFFAOYSA-N 1 1 281.396 3.276 20 10 CGCDMO CCC[N@H+](CC[C@@H]1CCCN1C)Cc1ccccc1O ZINC000161529369 618690169 /nfs/dbraw/zinc/69/01/69/618690169.db2.gz CKENCLIKBAXJEM-INIZCTEOSA-N 1 1 276.424 3.089 20 10 CGCDMO CCC[N@@H+](CC[C@@H]1CCCN1C)Cc1ccccc1O ZINC000161529369 618690171 /nfs/dbraw/zinc/69/01/71/618690171.db2.gz CKENCLIKBAXJEM-INIZCTEOSA-N 1 1 276.424 3.089 20 10 CGCDMO CC[N@@H+](CCc1ccccc1)Cc1cccc(OC)c1O ZINC000179302794 618774587 /nfs/dbraw/zinc/77/45/87/618774587.db2.gz RMMWRKGRZYGBMQ-UHFFFAOYSA-N 1 1 285.387 3.465 20 10 CGCDMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000093498557 619201088 /nfs/dbraw/zinc/20/10/88/619201088.db2.gz DKZKOQGHIPRJDK-JKSUJKDBSA-N 1 1 288.435 3.144 20 10 CGCDMO C[C@H](C[N@H+](C)Cc1cc(F)cc(F)c1O)c1nccs1 ZINC000894450022 619538180 /nfs/dbraw/zinc/53/81/80/619538180.db2.gz WTUVKCLBKNBEQJ-SECBINFHSA-N 1 1 298.358 3.362 20 10 CGCDMO C[C@H](C[N@@H+](C)Cc1cc(F)cc(F)c1O)c1nccs1 ZINC000894450022 619538183 /nfs/dbraw/zinc/53/81/83/619538183.db2.gz WTUVKCLBKNBEQJ-SECBINFHSA-N 1 1 298.358 3.362 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000895073453 619712900 /nfs/dbraw/zinc/71/29/00/619712900.db2.gz HMMZKKYRAKHYPK-NHYWBVRUSA-N 1 1 297.345 3.061 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000895073453 619712905 /nfs/dbraw/zinc/71/29/05/619712905.db2.gz HMMZKKYRAKHYPK-NHYWBVRUSA-N 1 1 297.345 3.061 20 10 CGCDMO COc1cccc(C[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)c1O ZINC000896230537 619971048 /nfs/dbraw/zinc/97/10/48/619971048.db2.gz JHAAUIHIHGYIOA-QFBILLFUSA-N 1 1 295.382 3.174 20 10 CGCDMO CCc1cccc(C[NH2+]Cc2c(O)cccc2F)c1O ZINC000896639046 620041531 /nfs/dbraw/zinc/04/15/31/620041531.db2.gz TVYLUETXWRCPNU-UHFFFAOYSA-N 1 1 275.323 3.089 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1ccc(Cl)cc1O ZINC000841748657 620369313 /nfs/dbraw/zinc/36/93/13/620369313.db2.gz XYIAAYIIDSGEBO-WDEREUQCSA-N 1 1 291.782 3.117 20 10 CGCDMO CCC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000927026267 620563958 /nfs/dbraw/zinc/56/39/58/620563958.db2.gz ZZYLFLQIIOVEPD-CMPLNLGQSA-N 1 1 271.788 3.247 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH2+]C/C=C\Cl)c1 ZINC000898433059 620587098 /nfs/dbraw/zinc/58/70/98/620587098.db2.gz KVDJPDNVSAIHAC-IHWYPQMZSA-N 1 1 290.588 3.305 20 10 CGCDMO CCc1onc(C)c1C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000927140674 620600696 /nfs/dbraw/zinc/60/06/96/620600696.db2.gz SVKFMEFHOFEAQG-QMMMGPOBSA-N 1 1 296.317 3.380 20 10 CGCDMO C[C@H]([NH2+][C@H](CCO)C1CCCC1)c1c(O)cccc1F ZINC000903298844 621666205 /nfs/dbraw/zinc/66/62/05/621666205.db2.gz YEXYAYKELQHVQO-SMDDNHRTSA-N 1 1 281.371 3.123 20 10 CGCDMO CC[C@@H]([NH2+]C[C@]1(OC)CCSC1)c1ccc(F)cc1O ZINC000903313968 621685131 /nfs/dbraw/zinc/68/51/31/621685131.db2.gz DSGJZEOFLSGZHC-UKRRQHHQSA-N 1 1 299.411 3.094 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCOC12CCCC2)c1c(O)cccc1F ZINC000903386993 621726892 /nfs/dbraw/zinc/72/68/92/621726892.db2.gz FEUFYLJYTKKLST-FZMZJTMJSA-N 1 1 279.355 3.284 20 10 CGCDMO Cc1ncccc1CC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000903416689 621735732 /nfs/dbraw/zinc/73/57/32/621735732.db2.gz VQWJQZSZJNOPTO-GFCCVEGCSA-N 1 1 274.339 3.128 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCCS1)c1ccc(F)cc1O ZINC000149590975 622345787 /nfs/dbraw/zinc/34/57/87/622345787.db2.gz DFBZKSNSPBGYHP-ONGXEEELSA-N 1 1 255.358 3.078 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](Cc2ccccn2)C2CC2)cc1 ZINC000170928270 623113118 /nfs/dbraw/zinc/11/31/18/623113118.db2.gz HQCSKRNPHLHFEH-UHFFFAOYSA-N 1 1 281.403 3.312 20 10 CGCDMO CCC[N@@H+](Cc1ccnc(N(C)C)c1)Cc1ccccc1O ZINC000754052761 623786591 /nfs/dbraw/zinc/78/65/91/623786591.db2.gz ZCATXCWUZQLXIQ-UHFFFAOYSA-N 1 1 299.418 3.265 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C/C=C/Cl)C2CC2)cc1 ZINC000917073914 624233255 /nfs/dbraw/zinc/23/32/55/624233255.db2.gz HPLADHAHZGURNC-XCVCLJGOSA-N 1 1 264.800 3.470 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C/C=C\Cl)C2CC2)cc1 ZINC000917073913 624233274 /nfs/dbraw/zinc/23/32/74/624233274.db2.gz HPLADHAHZGURNC-KMKOMSMNSA-N 1 1 264.800 3.470 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)Cc2ccc(C)s2)c1 ZINC000180036162 624712336 /nfs/dbraw/zinc/71/23/36/624712336.db2.gz FXJWZIATLBSXLF-UHFFFAOYSA-N 1 1 277.389 3.403 20 10 CGCDMO CCC[N@H+](Cc1cc(OC)ccc1O)C[C@@H]1CCCCO1 ZINC000180068546 624714456 /nfs/dbraw/zinc/71/44/56/624714456.db2.gz QLFAWZAUMKRUJP-INIZCTEOSA-N 1 1 293.407 3.182 20 10 CGCDMO Cc1cncc(C[NH2+][C@H](C)c2ccc(F)cc2O)c1 ZINC000186191669 625748024 /nfs/dbraw/zinc/74/80/24/625748024.db2.gz PBRJZCGTGMSOGD-LLVKDONJSA-N 1 1 260.312 3.086 20 10 CGCDMO CCCCC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000756342736 625879124 /nfs/dbraw/zinc/87/91/24/625879124.db2.gz LMTWNUMWVLEGJK-NSHDSACASA-N 1 1 265.353 3.020 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)c1 ZINC000164206327 626085865 /nfs/dbraw/zinc/08/58/65/626085865.db2.gz MTEACKHEFIKHFH-CYBMUJFWSA-N 1 1 263.381 3.008 20 10 CGCDMO CCC1CCC([N@@H+](CCO)Cc2cccc(C)c2O)CC1 ZINC000754155636 626561218 /nfs/dbraw/zinc/56/12/18/626561218.db2.gz YNHXRTXCPMZJDU-UHFFFAOYSA-N 1 1 291.435 3.464 20 10 CGCDMO COc1cc(C)cc(C[N@@H+]([C@@H](C)C2CC2)C2CC2)c1O ZINC000754726046 626584853 /nfs/dbraw/zinc/58/48/53/626584853.db2.gz MAZYFUZSNKOHQM-LBPRGKRZSA-N 1 1 275.392 3.472 20 10 CGCDMO CCCCCC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000756343478 626694217 /nfs/dbraw/zinc/69/42/17/626694217.db2.gz ORBSTBUYWXNKII-LBPRGKRZSA-N 1 1 279.380 3.410 20 10 CGCDMO C[C@H]([NH2+]Cc1ccoc1)c1cc(F)cc(F)c1O ZINC000756448579 626707223 /nfs/dbraw/zinc/70/72/23/626707223.db2.gz CLHPTCAYPSKXHS-QMMMGPOBSA-N 1 1 253.248 3.114 20 10 CGCDMO CC[C@H]1CCCCN1CC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000756575923 626716985 /nfs/dbraw/zinc/71/69/85/626716985.db2.gz RIHRYLSJSMRCFS-HIFRSBDPSA-N 1 1 294.414 3.446 20 10 CGCDMO CO[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)C(C)(C)C ZINC000756625692 626721383 /nfs/dbraw/zinc/72/13/83/626721383.db2.gz KPHUKIAZFRUUEN-ZANVPECISA-N 1 1 287.350 3.382 20 10 CGCDMO COc1cc(Cl)cc(CNc2ccc(C)c[nH+]2)c1O ZINC000761198803 627023890 /nfs/dbraw/zinc/02/38/90/627023890.db2.gz URQUEPMNBWNTNV-UHFFFAOYSA-N 1 1 278.739 3.370 20 10 CGCDMO COc1ccc2c(c1)CCCC[N@H+]2CC1CCOCC1 ZINC000766270114 627309239 /nfs/dbraw/zinc/30/92/39/627309239.db2.gz QBJMCRCEZJCACF-UHFFFAOYSA-N 1 1 275.392 3.265 20 10 CGCDMO COc1ccc2c(c1)CCCC[N@@H+]2CC1CCOCC1 ZINC000766270114 627309243 /nfs/dbraw/zinc/30/92/43/627309243.db2.gz QBJMCRCEZJCACF-UHFFFAOYSA-N 1 1 275.392 3.265 20 10 CGCDMO CCC[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000768292138 627472638 /nfs/dbraw/zinc/47/26/38/627472638.db2.gz WIXNDKQOIWXPTA-UHFFFAOYSA-N 1 1 292.398 3.037 20 10 CGCDMO CCC[C@H](C)[N@@H+](C)Cc1cc(OCC)ccc1O ZINC000768340072 627474084 /nfs/dbraw/zinc/47/40/84/627474084.db2.gz ZPFMNVYMOLELHZ-LBPRGKRZSA-N 1 1 251.370 3.411 20 10 CGCDMO CC[N@H+](Cc1cc2c(cc1O)CCCC2)C[C@H]1CCCO1 ZINC000768444814 627480484 /nfs/dbraw/zinc/48/04/84/627480484.db2.gz YSFYPFACFKUYCJ-QGZVFWFLSA-N 1 1 289.419 3.272 20 10 CGCDMO COc1cc(C[N@H+]2CCCCC[C@@H]2C)c(O)cc1C ZINC000768448710 627480528 /nfs/dbraw/zinc/48/05/28/627480528.db2.gz WOVCVRIFEOCMSL-ZDUSSCGKSA-N 1 1 263.381 3.474 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)Cc2cnc(C)s2)c(O)c1 ZINC000768913261 627508719 /nfs/dbraw/zinc/50/87/19/627508719.db2.gz JUAVZSUWBJNROQ-UHFFFAOYSA-N 1 1 292.404 3.188 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)C1Cc2ccccc2C1 ZINC000769034480 627518972 /nfs/dbraw/zinc/51/89/72/627518972.db2.gz QWCKQKIIAGNCMB-UHFFFAOYSA-N 1 1 283.371 3.000 20 10 CGCDMO CCCC[N@@H+](CCOC)Cc1ccc(N(C)C)c(F)c1 ZINC000769389208 627547778 /nfs/dbraw/zinc/54/77/78/627547778.db2.gz LLIQMJGLRWYHFD-UHFFFAOYSA-N 1 1 282.403 3.140 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C[C@@H](C)OC)C(C)C)c1 ZINC000769476344 627558612 /nfs/dbraw/zinc/55/86/12/627558612.db2.gz YVLDWRJBZBIZPO-CYBMUJFWSA-N 1 1 281.396 3.036 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000769509384 627560986 /nfs/dbraw/zinc/56/09/86/627560986.db2.gz XHDPSXMQJNXQSY-HNNXBMFYSA-N 1 1 287.334 3.487 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000769518751 627562501 /nfs/dbraw/zinc/56/25/01/627562501.db2.gz BIGVBAOAGLVBMG-ZDUSSCGKSA-N 1 1 295.810 3.294 20 10 CGCDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C)ccc2O)C12CCC2 ZINC000770352222 627614556 /nfs/dbraw/zinc/61/45/56/627614556.db2.gz MXYUAXBKJNSDFN-SJORKVTESA-N 1 1 289.419 3.480 20 10 CGCDMO C[C@H]1COCCC[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000772820445 627826180 /nfs/dbraw/zinc/82/61/80/627826180.db2.gz HTFJSJSTLFMVOK-LBPRGKRZSA-N 1 1 293.407 3.006 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc2nc[nH]c2c1)c1ccc(N(C)C)cc1 ZINC000775361143 628086472 /nfs/dbraw/zinc/08/64/72/628086472.db2.gz APYQPTQVDDVAMS-ZDUSSCGKSA-N 1 1 294.402 3.480 20 10 CGCDMO CCO[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000775634023 628117603 /nfs/dbraw/zinc/11/76/03/628117603.db2.gz NSGDVPROUVADFG-CQSZACIVSA-N 1 1 283.799 3.355 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H]2C(C)(C)C)c1 ZINC000775679289 628124890 /nfs/dbraw/zinc/12/48/90/628124890.db2.gz VFXAIIXMGTVHFC-HNNXBMFYSA-N 1 1 263.381 3.411 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000779011084 628383391 /nfs/dbraw/zinc/38/33/91/628383391.db2.gz YXNQOTSLLUCXGL-SFHVURJKSA-N 1 1 283.371 3.356 20 10 CGCDMO C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C[C@@H]1F ZINC000779151494 628390801 /nfs/dbraw/zinc/39/08/01/628390801.db2.gz YVBSLWLOWFANCJ-CABZTGNLSA-N 1 1 257.736 3.226 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C[C@@H]1F ZINC000779151494 628390802 /nfs/dbraw/zinc/39/08/02/628390802.db2.gz YVBSLWLOWFANCJ-CABZTGNLSA-N 1 1 257.736 3.226 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](OC(F)F)C1)CCC2 ZINC000781150012 628541634 /nfs/dbraw/zinc/54/16/34/628541634.db2.gz PNOZQCKIAFELOH-CQSZACIVSA-N 1 1 297.345 3.085 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)c1O ZINC000781931616 628606355 /nfs/dbraw/zinc/60/63/55/628606355.db2.gz ZMLFEDLPTNEVFS-CXAGYDPISA-N 1 1 275.392 3.413 20 10 CGCDMO Cc1ccc2nc(C[NH2+][C@@H](C)c3ccccc3O)[nH]c2c1 ZINC000783519021 628720975 /nfs/dbraw/zinc/72/09/75/628720975.db2.gz SEOKRCGZLXQLPG-LBPRGKRZSA-N 1 1 281.359 3.428 20 10 CGCDMO C[N@@H+](Cc1c[nH]nc1-c1ccsc1)Cc1ccccc1O ZINC000783535808 628722854 /nfs/dbraw/zinc/72/28/54/628722854.db2.gz SMFAALQLWXLRNB-UHFFFAOYSA-N 1 1 299.399 3.476 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)c1O ZINC000783738361 628744418 /nfs/dbraw/zinc/74/44/18/628744418.db2.gz SDDNAQLSNRFMGO-SDDRHHMPSA-N 1 1 283.799 3.352 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)c1O ZINC000783738361 628744421 /nfs/dbraw/zinc/74/44/21/628744421.db2.gz SDDNAQLSNRFMGO-SDDRHHMPSA-N 1 1 283.799 3.352 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@@H]1CCC(F)(F)C1 ZINC000787730768 629025799 /nfs/dbraw/zinc/02/57/99/629025799.db2.gz MYSAGPGOTJKLLO-LLVKDONJSA-N 1 1 255.308 3.259 20 10 CGCDMO CCOCCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788500088 629060255 /nfs/dbraw/zinc/06/02/55/629060255.db2.gz YNPMMALJMXWMAZ-JTQLQIEISA-N 1 1 291.313 3.488 20 10 CGCDMO CCC[C@@H](O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788593481 629067283 /nfs/dbraw/zinc/06/72/83/629067283.db2.gz PXYATITUTQIQEA-VHSXEESVSA-N 1 1 291.313 3.223 20 10 CGCDMO C[C@@H](O)CCC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000789307489 629123048 /nfs/dbraw/zinc/12/30/48/629123048.db2.gz ZIDMEIVWWZFZOP-MRXNPFEDSA-N 1 1 290.451 3.270 20 10 CGCDMO Cc1ccc(C[N@@H+](C)Cc2c(O)cccc2Cl)nc1 ZINC000789590575 629148795 /nfs/dbraw/zinc/14/87/95/629148795.db2.gz ULFJRTOZAZSVHT-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2c(O)cccc2Cl)nc1 ZINC000789590575 629148796 /nfs/dbraw/zinc/14/87/96/629148796.db2.gz ULFJRTOZAZSVHT-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO COc1cc(C[N@H+]2CCSCC[C@H]2C)c(O)cc1C ZINC000790479925 629212421 /nfs/dbraw/zinc/21/24/21/629212421.db2.gz IESZIWZAJHUKBQ-GFCCVEGCSA-N 1 1 281.421 3.037 20 10 CGCDMO CC(C)(C)OCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790962549 629243808 /nfs/dbraw/zinc/24/38/08/629243808.db2.gz QLVLMRYFWGHKHI-UHFFFAOYSA-N 1 1 275.751 3.089 20 10 CGCDMO C[C@@H](Cc1ccncc1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790972141 629244854 /nfs/dbraw/zinc/24/48/54/629244854.db2.gz FAMZETYVYRWTSN-JTQLQIEISA-N 1 1 294.757 3.301 20 10 CGCDMO CC[N@@H+](Cc1c(O)ccc(Cl)c1F)CC1CC1 ZINC000792164625 629342692 /nfs/dbraw/zinc/34/26/92/629342692.db2.gz AMGYVIXUHVGCIY-UHFFFAOYSA-N 1 1 257.736 3.417 20 10 CGCDMO CC[N@H+](Cc1c(O)ccc(Cl)c1F)CC1CC1 ZINC000792164625 629342696 /nfs/dbraw/zinc/34/26/96/629342696.db2.gz AMGYVIXUHVGCIY-UHFFFAOYSA-N 1 1 257.736 3.417 20 10 CGCDMO CCCC[N@H+](CCOC)Cc1c(O)ccc(Cl)c1F ZINC000792167159 629343314 /nfs/dbraw/zinc/34/33/14/629343314.db2.gz BYGMDKNSTCYEFR-UHFFFAOYSA-N 1 1 289.778 3.433 20 10 CGCDMO CCCC[N@@H+](CCOC)Cc1c(O)ccc(Cl)c1F ZINC000792167159 629343319 /nfs/dbraw/zinc/34/33/19/629343319.db2.gz BYGMDKNSTCYEFR-UHFFFAOYSA-N 1 1 289.778 3.433 20 10 CGCDMO CCC[N@H+](Cc1c(O)ccc(Cl)c1F)CC(C)(C)O ZINC000792167631 629343538 /nfs/dbraw/zinc/34/35/38/629343538.db2.gz MEQUSADKYKLJSX-UHFFFAOYSA-N 1 1 289.778 3.168 20 10 CGCDMO CCC[N@@H+](Cc1c(O)ccc(Cl)c1F)CC(C)(C)O ZINC000792167631 629343543 /nfs/dbraw/zinc/34/35/43/629343543.db2.gz MEQUSADKYKLJSX-UHFFFAOYSA-N 1 1 289.778 3.168 20 10 CGCDMO COC1(C)CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792174292 629344676 /nfs/dbraw/zinc/34/46/76/629344676.db2.gz QDWLPTUVDUREBW-UHFFFAOYSA-N 1 1 287.762 3.186 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)Cc2ccn(CC)c2)c(O)c1 ZINC000792184504 629345813 /nfs/dbraw/zinc/34/58/13/629345813.db2.gz VXCOUDYTGSHKPB-UHFFFAOYSA-N 1 1 288.391 3.244 20 10 CGCDMO CC[C@@H]1CC[N@H+]1Cc1c(O)cccc1Br ZINC000862377242 629357239 /nfs/dbraw/zinc/35/72/39/629357239.db2.gz OKDFJBQSZLJKCV-SECBINFHSA-N 1 1 270.170 3.139 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c(C(F)(F)F)c1 ZINC000862442671 629375771 /nfs/dbraw/zinc/37/57/71/629375771.db2.gz FIHYQODFCQCHIK-TXEJJXNPSA-N 1 1 284.325 3.223 20 10 CGCDMO Oc1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862442512 629375864 /nfs/dbraw/zinc/37/58/64/629375864.db2.gz DBMIJGBESMXNMV-CALCHBBNSA-N 1 1 295.382 3.423 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c1O ZINC000793214795 629429690 /nfs/dbraw/zinc/42/96/90/629429690.db2.gz RGJVOSSYDDCOBZ-XHDPSFHLSA-N 1 1 295.810 3.353 20 10 CGCDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccccc1O ZINC000793232607 629433335 /nfs/dbraw/zinc/43/33/35/629433335.db2.gz ZKWOMNIINIZXDQ-KOLCDFICSA-N 1 1 259.271 3.165 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1O ZINC000793232564 629433433 /nfs/dbraw/zinc/43/34/33/629433433.db2.gz YMWJDZHSDNMNBM-GXSJLCMTSA-N 1 1 289.297 3.174 20 10 CGCDMO C[C@@]12CC[N@@H+](Cc3cc4c(cc3O)CCC4)C[C@@H]1C2(F)F ZINC000793534705 629478247 /nfs/dbraw/zinc/47/82/47/629478247.db2.gz UZSNWFVJUWWKTM-JKSUJKDBSA-N 1 1 293.357 3.358 20 10 CGCDMO C[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1ccc(F)cc1O ZINC000793575186 629486613 /nfs/dbraw/zinc/48/66/13/629486613.db2.gz UXZIOPCRWDZTGI-LLVKDONJSA-N 1 1 299.349 3.301 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c1 ZINC000794656283 629563595 /nfs/dbraw/zinc/56/35/95/629563595.db2.gz SRVHAIWJMGNHLF-XJKSGUPXSA-N 1 1 275.392 3.008 20 10 CGCDMO CC[C@@H](C)[C@@](C)(O)C[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000796758240 629827284 /nfs/dbraw/zinc/82/72/84/629827284.db2.gz BTBAWGRSCYNBOC-WPGHFRTFSA-N 1 1 283.387 3.369 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1ccc(F)cc1O ZINC000796778391 629831937 /nfs/dbraw/zinc/83/19/37/629831937.db2.gz KYZCTUPOBDFTOU-LNSITVRQSA-N 1 1 281.371 3.123 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2ccsc2)c1 ZINC000120485067 630061527 /nfs/dbraw/zinc/06/15/27/630061527.db2.gz NIFQHSILYXMAAC-UHFFFAOYSA-N 1 1 277.389 3.484 20 10 CGCDMO CCN(CC)c1ccc(C[NH2+]Cc2cn(C3CC3)cn2)cc1 ZINC000865417648 630113212 /nfs/dbraw/zinc/11/32/12/630113212.db2.gz AADOUEMEXKNWER-UHFFFAOYSA-N 1 1 298.434 3.354 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC=C(Br)C2)cc1C ZINC000799574895 630200056 /nfs/dbraw/zinc/20/00/56/630200056.db2.gz PQVVZCPPNKOZCX-UHFFFAOYSA-N 1 1 296.208 3.494 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CC[C@@H]1CCSC1 ZINC000865652062 630254100 /nfs/dbraw/zinc/25/41/00/630254100.db2.gz NPIOZIHAVKUPQO-SECBINFHSA-N 1 1 289.803 3.418 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)Cc1ncc(C)cn1 ZINC000801595260 630346977 /nfs/dbraw/zinc/34/69/77/630346977.db2.gz ZWQFULUKICNQLD-UHFFFAOYSA-N 1 1 285.391 3.293 20 10 CGCDMO CCc1nc(NCc2ccc3c(c2)CCCN3C)cc(C)[nH+]1 ZINC000804391741 630525463 /nfs/dbraw/zinc/52/54/63/630525463.db2.gz BXSDICMKSGPQLA-UHFFFAOYSA-N 1 1 296.418 3.342 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C[C@@H](O)C(C)(C)C)C2CC2)cc1 ZINC000808711054 630669012 /nfs/dbraw/zinc/66/90/12/630669012.db2.gz SXWFUCIKRWAXAG-QGZVFWFLSA-N 1 1 290.451 3.124 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCc3occc3C2)cc1 ZINC000808795381 630678936 /nfs/dbraw/zinc/67/89/36/630678936.db2.gz MJPLFJZLBDFVFY-UHFFFAOYSA-N 1 1 270.376 3.294 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000809728673 630793690 /nfs/dbraw/zinc/79/36/90/630793690.db2.gz FHSVHQOVUQHJIY-HNNXBMFYSA-N 1 1 284.359 3.133 20 10 CGCDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000809767099 630802149 /nfs/dbraw/zinc/80/21/49/630802149.db2.gz GFOCFPADGJVUMT-CYBMUJFWSA-N 1 1 284.444 3.465 20 10 CGCDMO CCC[N@H+](CC)C[C@H](C)NCc1cc(C)c(C)cc1O ZINC000810181344 630851111 /nfs/dbraw/zinc/85/11/11/630851111.db2.gz YXSIRGJABNGOLX-HNNXBMFYSA-N 1 1 278.440 3.219 20 10 CGCDMO CCC[N@@H+](CC)C[C@H](C)NCc1cc(C)c(C)cc1O ZINC000810181344 630851114 /nfs/dbraw/zinc/85/11/14/630851114.db2.gz YXSIRGJABNGOLX-HNNXBMFYSA-N 1 1 278.440 3.219 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000811513543 631081967 /nfs/dbraw/zinc/08/19/67/631081967.db2.gz KAQYJFDNWGCZJR-HNNXBMFYSA-N 1 1 261.340 3.296 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](O)C2(C)C)cc1F ZINC000812779625 631307265 /nfs/dbraw/zinc/30/72/65/631307265.db2.gz UEQCZSXJTNNLHU-MRXNPFEDSA-N 1 1 294.414 3.017 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@@H](OC(F)F)C2)ccc1N(C)C ZINC000815085898 631713560 /nfs/dbraw/zinc/71/35/60/631713560.db2.gz FDSWPONGARNZBD-CQSZACIVSA-N 1 1 298.377 3.265 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000815113561 631720257 /nfs/dbraw/zinc/72/02/57/631720257.db2.gz GXIAKOBHXSLFRL-ZWKOTPCHSA-N 1 1 288.435 3.286 20 10 CGCDMO C[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816480140 631987164 /nfs/dbraw/zinc/98/71/64/631987164.db2.gz DRWLRGLAFQNZSW-VIFPVBQESA-N 1 1 257.736 3.417 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816480140 631987173 /nfs/dbraw/zinc/98/71/73/631987173.db2.gz DRWLRGLAFQNZSW-VIFPVBQESA-N 1 1 257.736 3.417 20 10 CGCDMO Cc1cc(C[N@@H+](C)Cc2ccc3ccccc3c2O)no1 ZINC000816489880 631991080 /nfs/dbraw/zinc/99/10/80/631991080.db2.gz GAXJYDLRLGPINQ-UHFFFAOYSA-N 1 1 282.343 3.474 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CCCO1 ZINC000816502598 631995916 /nfs/dbraw/zinc/99/59/16/631995916.db2.gz IRBHDYQHOUGBIH-ZDUSSCGKSA-N 1 1 271.360 3.156 20 10 CGCDMO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccn1 ZINC000816528771 632004479 /nfs/dbraw/zinc/00/44/79/632004479.db2.gz QZISGWUCUBCMCY-VIFPVBQESA-N 1 1 280.730 3.431 20 10 CGCDMO CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816538215 632005716 /nfs/dbraw/zinc/00/57/16/632005716.db2.gz JIZCZNAVWAPENT-OAHLLOKOSA-N 1 1 298.430 3.367 20 10 CGCDMO CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816538215 632005723 /nfs/dbraw/zinc/00/57/23/632005723.db2.gz JIZCZNAVWAPENT-OAHLLOKOSA-N 1 1 298.430 3.367 20 10 CGCDMO CO[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CC[C@@H]1C ZINC000816586423 632017965 /nfs/dbraw/zinc/01/79/65/632017965.db2.gz HMFZYTGAHDSWCQ-SUMWQHHRSA-N 1 1 285.387 3.402 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000816630730 632026818 /nfs/dbraw/zinc/02/68/18/632026818.db2.gz PHLUSNLCBQSIHM-ZDUSSCGKSA-N 1 1 299.773 3.064 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000816630730 632026823 /nfs/dbraw/zinc/02/68/23/632026823.db2.gz PHLUSNLCBQSIHM-ZDUSSCGKSA-N 1 1 299.773 3.064 20 10 CGCDMO C[C@@H](NCC1([NH3+])CCCCC1)c1ccc(N(C)C)cc1 ZINC000817936048 632237118 /nfs/dbraw/zinc/23/71/18/632237118.db2.gz MNXGAYXCVWSWTG-CQSZACIVSA-N 1 1 275.440 3.065 20 10 CGCDMO C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817960745 632256270 /nfs/dbraw/zinc/25/62/70/632256270.db2.gz QYQCWMGZYZLLRM-JVXZTZIISA-N 1 1 289.206 3.087 20 10 CGCDMO C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817966607 632261742 /nfs/dbraw/zinc/26/17/42/632261742.db2.gz RFKXMEJWTOXJRK-IAQYHMDHSA-N 1 1 282.815 3.086 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1cccc(Cl)c1[O-] ZINC000817968184 632261964 /nfs/dbraw/zinc/26/19/64/632261964.db2.gz HEIGYIBZZVSCBQ-DDTOSNHZSA-N 1 1 282.815 3.084 20 10 CGCDMO CC[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817966339 632261984 /nfs/dbraw/zinc/26/19/84/632261984.db2.gz LSVKWLLCDGUNIA-GOEBONIOSA-N 1 1 296.842 3.476 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cc(Cl)ccc1[O-] ZINC000817986716 632275797 /nfs/dbraw/zinc/27/57/97/632275797.db2.gz NMNBJCZSHHJQEV-ZJQBRPOHSA-N 1 1 294.826 3.084 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@]2(C)CCCS2)cc1 ZINC000820850771 632686716 /nfs/dbraw/zinc/68/67/16/632686716.db2.gz HDXNEOYHRPYWGS-INIZCTEOSA-N 1 1 278.465 3.470 20 10 CGCDMO COc1cccc(C[NH2+][C@@H](CF)c2ccc(F)cc2)c1O ZINC000865822446 632901356 /nfs/dbraw/zinc/90/13/56/632901356.db2.gz HHULRIJSMRMEER-AWEZNQCLSA-N 1 1 293.313 3.340 20 10 CGCDMO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccncc1F ZINC000823375271 633094762 /nfs/dbraw/zinc/09/47/62/633094762.db2.gz HFRGSARWUUHONH-UHFFFAOYSA-N 1 1 287.382 3.309 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccncc1F ZINC000823375271 633094766 /nfs/dbraw/zinc/09/47/66/633094766.db2.gz HFRGSARWUUHONH-UHFFFAOYSA-N 1 1 287.382 3.309 20 10 CGCDMO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000866633770 633222505 /nfs/dbraw/zinc/22/25/05/633222505.db2.gz LSXMDGQQZXFRKK-QKCSRTOESA-N 1 1 269.360 3.122 20 10 CGCDMO CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000866634677 633223147 /nfs/dbraw/zinc/22/31/47/633223147.db2.gz SQVLIAIMCPVRQW-JBLDHEPKSA-N 1 1 271.788 3.246 20 10 CGCDMO CCC[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)OC ZINC000824543838 633256373 /nfs/dbraw/zinc/25/63/73/633256373.db2.gz QJLIQUWKLMLEIB-SNVBAGLBSA-N 1 1 275.751 3.089 20 10 CGCDMO CS[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000824683790 633273054 /nfs/dbraw/zinc/27/30/54/633273054.db2.gz WJVHXDYAPJLVQJ-QMMMGPOBSA-N 1 1 275.776 3.122 20 10 CGCDMO CS[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000824683790 633273061 /nfs/dbraw/zinc/27/30/61/633273061.db2.gz WJVHXDYAPJLVQJ-QMMMGPOBSA-N 1 1 275.776 3.122 20 10 CGCDMO COc1ccc2c(c1)C[N@H+](Cc1cc(C)ccc1O)CCO2 ZINC000824909912 633304234 /nfs/dbraw/zinc/30/42/34/633304234.db2.gz RMOZDGVXFGSMKZ-UHFFFAOYSA-N 1 1 299.370 3.104 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000824940724 633308634 /nfs/dbraw/zinc/30/86/34/633308634.db2.gz BFKZZNXWWSEJLG-WBVHZDCISA-N 1 1 273.376 3.021 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000824941115 633309285 /nfs/dbraw/zinc/30/92/85/633309285.db2.gz IZKGAZILCDIDNW-GDBMZVCRSA-N 1 1 261.340 3.152 20 10 CGCDMO Cc1cc([O-])c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000825122061 633330756 /nfs/dbraw/zinc/33/07/56/633330756.db2.gz WKZDEKJXNSVPCH-KBPBESRZSA-N 1 1 294.826 3.070 20 10 CGCDMO Cc1cc([O-])c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000825122061 633330757 /nfs/dbraw/zinc/33/07/57/633330757.db2.gz WKZDEKJXNSVPCH-KBPBESRZSA-N 1 1 294.826 3.070 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2ccncc2)cc1Cl ZINC000825500463 633358365 /nfs/dbraw/zinc/35/83/65/633358365.db2.gz CDZABIAYCPXOTD-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@]3(C2)CCCOC3)cc1Cl ZINC000825842609 633383500 /nfs/dbraw/zinc/38/35/00/633383500.db2.gz ASXQZSCHHBFUSZ-INIZCTEOSA-N 1 1 295.810 3.357 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@]2(C)CCCO)cc1Cl ZINC000825928348 633388436 /nfs/dbraw/zinc/38/84/36/633388436.db2.gz RVTDDBUASRGCGU-MRXNPFEDSA-N 1 1 297.826 3.481 20 10 CGCDMO CCc1cccc(C[N@@H+](C)CC2=CCSC2)c1O ZINC000827812244 633520175 /nfs/dbraw/zinc/52/01/75/633520175.db2.gz HAMOJYFVEZHYCG-UHFFFAOYSA-N 1 1 263.406 3.060 20 10 CGCDMO COC1(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)CCCC1 ZINC000834815404 634246799 /nfs/dbraw/zinc/24/67/99/634246799.db2.gz VIOTXJVFXGNJMJ-JTQLQIEISA-N 1 1 285.334 3.280 20 10 CGCDMO CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000873224261 634290880 /nfs/dbraw/zinc/29/08/80/634290880.db2.gz YQVKCIWIVDRARE-MRXNPFEDSA-N 1 1 296.842 3.243 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C1CC[NH2+]CC1 ZINC000873270096 634312747 /nfs/dbraw/zinc/31/27/47/634312747.db2.gz XCZSUBVNUNVWQQ-MNOVXSKESA-N 1 1 282.815 3.084 20 10 CGCDMO COC[C@]1(C)CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835053954 634338562 /nfs/dbraw/zinc/33/85/62/634338562.db2.gz GFJKGJXWXULCMR-DUMMIQTOSA-N 1 1 288.435 3.124 20 10 CGCDMO CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)C[C@@H](C)OC ZINC000835055750 634339886 /nfs/dbraw/zinc/33/98/86/634339886.db2.gz OGQRHLFECVNODJ-MVGZEHJDSA-N 1 1 276.424 3.123 20 10 CGCDMO COCC[N@@H+](Cc1cccs1)Cc1ccc(C)cc1O ZINC000876547191 634855004 /nfs/dbraw/zinc/85/50/04/634855004.db2.gz KGYZXBJZMGJWJH-UHFFFAOYSA-N 1 1 291.416 3.411 20 10 CGCDMO Cc1ncsc1C[N@H+](C)Cc1c(C)cccc1O ZINC000876689031 634881067 /nfs/dbraw/zinc/88/10/67/634881067.db2.gz YXUODJZCCYLKLS-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO Cc1ccc(C[N@@H+](C)Cc2cccc(C)n2)c(O)c1 ZINC000876764030 634895021 /nfs/dbraw/zinc/89/50/21/634895021.db2.gz RTCIUWLMXGAWEE-UHFFFAOYSA-N 1 1 256.349 3.036 20 10 CGCDMO Cc1noc([C@H]2CCCC[N@@H+]2Cc2ccc(C)cc2O)n1 ZINC000877524612 635072477 /nfs/dbraw/zinc/07/24/77/635072477.db2.gz ZMBOYHNWJJHIAH-CQSZACIVSA-N 1 1 287.363 3.119 20 10 CGCDMO Cc1noc([C@H]2CCCC[N@H+]2Cc2ccc(C)cc2O)n1 ZINC000877524612 635072483 /nfs/dbraw/zinc/07/24/83/635072483.db2.gz ZMBOYHNWJJHIAH-CQSZACIVSA-N 1 1 287.363 3.119 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c(Cl)c1 ZINC000840917467 635083080 /nfs/dbraw/zinc/08/30/80/635083080.db2.gz MEABOKBMVOQSMQ-NEPJUHHUSA-N 1 1 283.799 3.089 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]CC2(C)CC[NH+](C)CC2)c(Cl)c1 ZINC000840937689 635085937 /nfs/dbraw/zinc/08/59/37/635085937.db2.gz VAKWFWXPIJCTNR-UHFFFAOYSA-N 1 1 296.842 3.176 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000877553476 635086833 /nfs/dbraw/zinc/08/68/33/635086833.db2.gz SYXACJOAFGQHNS-KRWDZBQOSA-N 1 1 287.403 3.092 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000840939760 635087541 /nfs/dbraw/zinc/08/75/41/635087541.db2.gz QDSGMNPEUCXHEA-JCKWVBRZSA-N 1 1 290.451 3.042 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000840951306 635091329 /nfs/dbraw/zinc/09/13/29/635091329.db2.gz VYGHQWMJFYIBMY-QGZVFWFLSA-N 1 1 290.451 3.044 20 10 CGCDMO Cc1cc(O)c(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)c(Cl)c1 ZINC000840949796 635091379 /nfs/dbraw/zinc/09/13/79/635091379.db2.gz CEAJIGWRIMXSGL-MFKMUULPSA-N 1 1 291.782 3.346 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1ccc(O)cc1 ZINC000840948788 635091473 /nfs/dbraw/zinc/09/14/73/635091473.db2.gz KLPREZNJRHQTRO-UHFFFAOYSA-N 1 1 284.403 3.399 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000840954030 635092534 /nfs/dbraw/zinc/09/25/34/635092534.db2.gz FPQRNMGGTCYALM-SFHVURJKSA-N 1 1 288.435 3.062 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC3(CCOCC3)[C@H]2C(C)C)c1 ZINC000840969087 635096221 /nfs/dbraw/zinc/09/62/21/635096221.db2.gz HWJSXDVPKYFEPR-QGZVFWFLSA-N 1 1 289.419 3.338 20 10 CGCDMO CC[N@@H+](Cc1occc1C)Cc1cccc(OC)c1O ZINC000840969951 635097199 /nfs/dbraw/zinc/09/71/99/635097199.db2.gz MJTKDYRMDGJRSP-UHFFFAOYSA-N 1 1 275.348 3.324 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](C3CCC3)C2)c1 ZINC000840979158 635099441 /nfs/dbraw/zinc/09/94/41/635099441.db2.gz WGUHLYBSVMAOCW-AWEZNQCLSA-N 1 1 275.392 3.413 20 10 CGCDMO Cc1ccc(C[N@H+](C)C[C@](C)(O)c2ccccc2)c(O)c1 ZINC000877598294 635106660 /nfs/dbraw/zinc/10/66/60/635106660.db2.gz CVHRYKCTWSYLOH-SFHVURJKSA-N 1 1 285.387 3.040 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@H](O)C[C@H]2c2ccccc2)c(O)c1 ZINC000877672720 635141381 /nfs/dbraw/zinc/14/13/81/635141381.db2.gz LLPHKDGDPCIIEE-ROUUACIJSA-N 1 1 297.398 3.399 20 10 CGCDMO CCOc1ccc(C[N@H+]2Cc3cccc(O)c3C2)c(O)c1 ZINC000877703414 635155714 /nfs/dbraw/zinc/15/57/14/635155714.db2.gz HZAREXNIJVPNRW-UHFFFAOYSA-N 1 1 285.343 3.012 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000877805498 635209631 /nfs/dbraw/zinc/20/96/31/635209631.db2.gz KBRDNONUXUYRJV-CCUNJIBTSA-N 1 1 299.773 3.232 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCCOCC1)c1ccc(Cl)cc1O ZINC000841753039 635226909 /nfs/dbraw/zinc/22/69/09/635226909.db2.gz XIUZLUZGKCQZKJ-PWSUYJOCSA-N 1 1 269.772 3.265 20 10 CGCDMO C[C@@H]([NH2+]CC[C@H]1CCOC1)c1ccc(Cl)cc1O ZINC000841752724 635227692 /nfs/dbraw/zinc/22/76/92/635227692.db2.gz GOFOLYLSWSNWFW-MNOVXSKESA-N 1 1 269.772 3.123 20 10 CGCDMO C[C@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(Cl)cc1O ZINC000841756835 635229750 /nfs/dbraw/zinc/22/97/50/635229750.db2.gz AOYBXRYZLHBTFU-HZMBPMFUSA-N 1 1 269.772 3.123 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H]2C[C@@H](OC)C2)cc1 ZINC000877921048 635270991 /nfs/dbraw/zinc/27/09/91/635270991.db2.gz BMPLEVYFUJPHOM-MAEOIBBWSA-N 1 1 290.451 3.390 20 10 CGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCO[C@@H]1C ZINC000877977874 635301822 /nfs/dbraw/zinc/30/18/22/635301822.db2.gz XAFSPHLHHRARHI-WBVHZDCISA-N 1 1 290.451 3.388 20 10 CGCDMO CCCC[N@@H+](Cc1nocc1C)Cc1ccccc1O ZINC000878565883 635557943 /nfs/dbraw/zinc/55/79/43/635557943.db2.gz VFVSOTAMLVZHPC-UHFFFAOYSA-N 1 1 274.364 3.491 20 10 CGCDMO CC(C)c1cnc(C[NH2+][C@H](C)c2ccccc2O)o1 ZINC000879648218 635825337 /nfs/dbraw/zinc/82/53/37/635825337.db2.gz FHZOPYWRKUEJAZ-LLVKDONJSA-N 1 1 260.337 3.354 20 10 CGCDMO CC(C)O[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000844380857 635885768 /nfs/dbraw/zinc/88/57/68/635885768.db2.gz BVNRROMXHFWCDH-KRWDZBQOSA-N 1 1 276.424 3.142 20 10 CGCDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000844380858 635886114 /nfs/dbraw/zinc/88/61/14/635886114.db2.gz BVNRROMXHFWCDH-QGZVFWFLSA-N 1 1 276.424 3.142 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000844467867 635910671 /nfs/dbraw/zinc/91/06/71/635910671.db2.gz JEILZNRVXYZFAJ-HNNXBMFYSA-N 1 1 280.362 3.374 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(C)cc(C)c2O)[C@@H](C)CO1 ZINC000844732662 635957259 /nfs/dbraw/zinc/95/72/59/635957259.db2.gz QWYWJUZHUZKIOC-DZGCQCFKSA-N 1 1 263.381 3.008 20 10 CGCDMO Oc1ccc2ccncc2c1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844755108 635959554 /nfs/dbraw/zinc/95/95/54/635959554.db2.gz ACADVBRIVMHBRP-OAHLLOKOSA-N 1 1 290.313 3.172 20 10 CGCDMO C[C@H](COCC1CC1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000846071930 636141699 /nfs/dbraw/zinc/14/16/99/636141699.db2.gz CJTYJZGKAYWAFS-SECBINFHSA-N 1 1 287.762 3.089 20 10 CGCDMO CCC[N@H+](CC)C[C@H](C)N[C@@H](C)c1cccc(OC)c1O ZINC000846169966 636152861 /nfs/dbraw/zinc/15/28/61/636152861.db2.gz LJDYDIXWUFNVNO-KBPBESRZSA-N 1 1 294.439 3.172 20 10 CGCDMO CCC[N@@H+](CC)C[C@H](C)N[C@@H](C)c1cccc(OC)c1O ZINC000846169966 636152864 /nfs/dbraw/zinc/15/28/64/636152864.db2.gz LJDYDIXWUFNVNO-KBPBESRZSA-N 1 1 294.439 3.172 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)c1cccc(OC)c1O)C(F)F ZINC000846170459 636152896 /nfs/dbraw/zinc/15/28/96/636152896.db2.gz OCEUAIMTUZJYAV-PSASIEDQSA-N 1 1 259.296 3.095 20 10 CGCDMO CO[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1 ZINC000882912548 636460553 /nfs/dbraw/zinc/46/05/53/636460553.db2.gz WWRSBTCWBFKESB-HNNXBMFYSA-N 1 1 293.313 3.148 20 10 CGCDMO CCC[N@H+](Cc1nc(C2CC2)no1)Cc1ccccc1O ZINC000130730619 636505637 /nfs/dbraw/zinc/50/56/37/636505637.db2.gz CUALFPXBZHWARB-UHFFFAOYSA-N 1 1 287.363 3.065 20 10 CGCDMO CCC[N@@H+](Cc1nc(C2CC2)no1)Cc1ccccc1O ZINC000130730619 636505645 /nfs/dbraw/zinc/50/56/45/636505645.db2.gz CUALFPXBZHWARB-UHFFFAOYSA-N 1 1 287.363 3.065 20 10 CGCDMO COc1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)c(C)c1 ZINC000883048237 636520943 /nfs/dbraw/zinc/52/09/43/636520943.db2.gz KPPVORZKAMIXJJ-UHFFFAOYSA-N 1 1 293.313 3.277 20 10 CGCDMO CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)CCO1 ZINC000883084460 636535167 /nfs/dbraw/zinc/53/51/67/636535167.db2.gz RWTMAQZDVYOBRW-UONOGXRCSA-N 1 1 299.361 3.354 20 10 CGCDMO CCOCC[N@@H+](CC)Cc1c(O)ccc2ccccc21 ZINC000107668310 636590173 /nfs/dbraw/zinc/59/01/73/636590173.db2.gz ZBUJDXZICPHMEV-UHFFFAOYSA-N 1 1 273.376 3.404 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(Cl)ccc1[O-] ZINC000848559490 636605777 /nfs/dbraw/zinc/60/57/77/636605777.db2.gz XKARFLJWZSUHMC-WZRBSPASSA-N 1 1 282.815 3.036 20 10 CGCDMO C[C@H]([NH2+]CCc1ccns1)c1cc(F)cc(F)c1O ZINC000883247463 636616277 /nfs/dbraw/zinc/61/62/77/636616277.db2.gz KVRCYXZAMUUUKE-QMMMGPOBSA-N 1 1 284.331 3.020 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1O ZINC000848888450 636676478 /nfs/dbraw/zinc/67/64/78/636676478.db2.gz BGEIJYFOAQASIW-NVXWUHKLSA-N 1 1 289.419 3.203 20 10 CGCDMO CCc1cccc(C[NH2+]Cc2noc3c2CCCC3)c1O ZINC000848911885 636687389 /nfs/dbraw/zinc/68/73/89/636687389.db2.gz KFTILOLFPVNXKK-UHFFFAOYSA-N 1 1 286.375 3.111 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC(F)(F)[C@H](C)C2)c1O ZINC000848913168 636687485 /nfs/dbraw/zinc/68/74/85/636687485.db2.gz QBAGFZCWNXKCMT-LLVKDONJSA-N 1 1 269.335 3.432 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@](C)(F)C2)c1O ZINC000848914008 636688272 /nfs/dbraw/zinc/68/82/72/636688272.db2.gz GNYUYJRRZNUQJT-HNNXBMFYSA-N 1 1 251.345 3.279 20 10 CGCDMO CCc1cccc(C[N@H+]2CCSC[C@H]2C2CC2)c1O ZINC000848917017 636690035 /nfs/dbraw/zinc/69/00/35/636690035.db2.gz ZMCLQNAZYXZGCP-HNNXBMFYSA-N 1 1 277.433 3.282 20 10 CGCDMO CCC[C@@H](C)[N@@H+](C)Cc1cccc(OCC)c1O ZINC000132296913 636800278 /nfs/dbraw/zinc/80/02/78/636800278.db2.gz RQRGVPSSHGCWAV-GFCCVEGCSA-N 1 1 251.370 3.411 20 10 CGCDMO CCC[N@H+](C)CC(C)(C)NCc1cc(OCC)ccc1O ZINC000850410368 637052984 /nfs/dbraw/zinc/05/29/84/637052984.db2.gz SMLBCNZNZKWBAN-UHFFFAOYSA-N 1 1 294.439 3.001 20 10 CGCDMO CCC[N@@H+](C)CC(C)(C)NCc1cc(OCC)ccc1O ZINC000850410368 637052987 /nfs/dbraw/zinc/05/29/87/637052987.db2.gz SMLBCNZNZKWBAN-UHFFFAOYSA-N 1 1 294.439 3.001 20 10 CGCDMO CC[C@@H](COCC1CC1)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000850494579 637089999 /nfs/dbraw/zinc/08/99/99/637089999.db2.gz QMDGWOUYWQXGLL-FZMZJTMJSA-N 1 1 281.371 3.387 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1ccc(F)cc1O ZINC000850495184 637091471 /nfs/dbraw/zinc/09/14/71/637091471.db2.gz XVQXZLIWQMYCHD-HIFRSBDPSA-N 1 1 294.414 3.445 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@H](C)N1C ZINC000135259960 637101940 /nfs/dbraw/zinc/10/19/40/637101940.db2.gz LYUDQOXDCAHNRY-OKILXGFUSA-N 1 1 284.403 3.070 20 10 CGCDMO Cc1nc(CC[NH2+][C@@H](C)c2c(O)cccc2F)cs1 ZINC000886500367 637543096 /nfs/dbraw/zinc/54/30/96/637543096.db2.gz SBMRWPKXBFSOGJ-VIFPVBQESA-N 1 1 280.368 3.190 20 10 CGCDMO Cc1ncsc1C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886524220 637553433 /nfs/dbraw/zinc/55/34/33/637553433.db2.gz GJPDMHDRIKROIA-VIFPVBQESA-N 1 1 266.341 3.147 20 10 CGCDMO C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1c(O)cccc1F ZINC000886530686 637555747 /nfs/dbraw/zinc/55/57/47/637555747.db2.gz OSZSXYQQZNOINH-SWLSCSKDSA-N 1 1 289.350 3.306 20 10 CGCDMO Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886535029 637560280 /nfs/dbraw/zinc/56/02/80/637560280.db2.gz TXFCTEFPOMCLKZ-DOMZBBRYSA-N 1 1 289.350 3.224 20 10 CGCDMO CCCC[N@@H+](Cc1coc(C)n1)Cc1ccccc1O ZINC000852018640 637573766 /nfs/dbraw/zinc/57/37/66/637573766.db2.gz OZVJUTXBNUESBO-UHFFFAOYSA-N 1 1 274.364 3.491 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1c(O)cccc1F ZINC000886576999 637587940 /nfs/dbraw/zinc/58/79/40/637587940.db2.gz UZYVHVVAJIIXEM-IUCAKERBSA-N 1 1 259.271 3.370 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCCCS1)c1c(O)cccc1F ZINC000886587559 637593937 /nfs/dbraw/zinc/59/39/37/637593937.db2.gz BCFCSHPTYSRRPO-GHMZBOCLSA-N 1 1 269.385 3.468 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1c(O)cccc1F ZINC000886594249 637596472 /nfs/dbraw/zinc/59/64/72/637596472.db2.gz ISUOQAWRMUVCRN-WDEREUQCSA-N 1 1 267.344 3.140 20 10 CGCDMO C[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1c(O)cccc1F ZINC000886592574 637596635 /nfs/dbraw/zinc/59/66/35/637596635.db2.gz XNCOMJWBGRCREP-YMRXKLBXSA-N 1 1 293.382 3.387 20 10 CGCDMO Cc1ncsc1CC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886618982 637611570 /nfs/dbraw/zinc/61/15/70/637611570.db2.gz PRQUVCNSVTVQSV-SNVBAGLBSA-N 1 1 280.368 3.190 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)cc1C(C)C ZINC000853566098 637867816 /nfs/dbraw/zinc/86/78/16/637867816.db2.gz LSQCUVNGKBPIQK-CRAIPNDOSA-N 1 1 289.419 3.292 20 10 CGCDMO C[N@@H+](CC1=CCSC1)Cc1c(O)ccc2ccncc21 ZINC000853619050 637874167 /nfs/dbraw/zinc/87/41/67/637874167.db2.gz SSDUMKLYDAIUPV-UHFFFAOYSA-N 1 1 286.400 3.045 20 10 CGCDMO C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccccc1O ZINC000854222968 638025749 /nfs/dbraw/zinc/02/57/49/638025749.db2.gz PSDGMQGPWXWZLT-ZTFGCOKTSA-N 1 1 296.414 3.189 20 10 CGCDMO Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1ccc(N(C)C)cc1 ZINC000924572772 638365360 /nfs/dbraw/zinc/36/53/60/638365360.db2.gz DRXQLAUDXWVXSS-HNNXBMFYSA-N 1 1 285.391 3.216 20 10 CGCDMO Cc1ncccc1C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000858519251 638753756 /nfs/dbraw/zinc/75/37/56/638753756.db2.gz XLKWLIZUTPROQX-SNVBAGLBSA-N 1 1 278.302 3.225 20 10 CGCDMO C[N@@H+](CCSc1ccncc1)Cc1ccccc1O ZINC000929969995 638965009 /nfs/dbraw/zinc/96/50/09/638965009.db2.gz HAGFAGRUEFDQMD-UHFFFAOYSA-N 1 1 274.389 3.011 20 10 CGCDMO CCCC[N@@H+](CC)Cc1ccc(N2CCOCC2)cc1 ZINC000158975477 640025702 /nfs/dbraw/zinc/02/57/02/640025702.db2.gz NXFQGWCMBOIBDD-UHFFFAOYSA-N 1 1 276.424 3.145 20 10 CGCDMO COc1cc(C[N@H+]2CCc3ccccc3C2)c(O)cc1C ZINC000159455794 640046882 /nfs/dbraw/zinc/04/68/82/640046882.db2.gz HHRVBFSBYCGBER-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)cc1OC ZINC000159780724 640067598 /nfs/dbraw/zinc/06/75/98/640067598.db2.gz GUQNCZFLGHLIDB-OCCSQVGLSA-N 1 1 293.407 3.420 20 10 CGCDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000245689693 640631879 /nfs/dbraw/zinc/63/18/79/640631879.db2.gz BFOZMZKCTXYFQC-MBNYWOFBSA-N 1 1 289.375 3.274 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H](C)S1 ZINC000092540178 640739497 /nfs/dbraw/zinc/73/94/97/640739497.db2.gz XIWXGXWGVQLVTM-BETUJISGSA-N 1 1 264.438 3.078 20 10 CGCDMO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1cc(Cl)ccc1O ZINC000093686636 640780538 /nfs/dbraw/zinc/78/05/38/640780538.db2.gz DKIRFCUOGVFFOS-UHFFFAOYSA-N 1 1 299.798 3.209 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCS[C@H](C(C)C)C2)c1O ZINC000093869197 640784344 /nfs/dbraw/zinc/78/43/44/640784344.db2.gz KIEGPSJYLBEIFU-HNNXBMFYSA-N 1 1 295.448 3.364 20 10 CGCDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000235359976 799144038 /nfs/dbraw/zinc/14/40/38/799144038.db2.gz IZJJGFALCQGCCC-IJLUTSLNSA-N 1 1 251.345 3.398 20 10 CGCDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1(C[NH3+])CCC1 ZINC000385164654 799423207 /nfs/dbraw/zinc/42/32/07/799423207.db2.gz AOALZKFMWPLSDO-UHFFFAOYSA-N 1 1 289.206 3.012 20 10 CGCDMO CCOc1cccc(C[N@H+]2C[C@@H](CC)OC[C@H]2CC)c1O ZINC000403906014 799572542 /nfs/dbraw/zinc/57/25/42/799572542.db2.gz WWPGRYCSRWKPEE-HUUCEWRRSA-N 1 1 293.407 3.180 20 10 CGCDMO CCOc1cccc(C[N@H+]2C[C@H](CC)OC[C@@H]2CC)c1O ZINC000403906013 799572593 /nfs/dbraw/zinc/57/25/93/799572593.db2.gz WWPGRYCSRWKPEE-GJZGRUSLSA-N 1 1 293.407 3.180 20 10 CGCDMO CO[C@@H](C)C[N@@H+](Cc1cc(Cl)ccc1O)C(C)C ZINC000688097939 799744669 /nfs/dbraw/zinc/74/46/69/799744669.db2.gz ZHIFUWRPTUDEKN-NSHDSACASA-N 1 1 271.788 3.291 20 10 CGCDMO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2O)C1 ZINC000708603043 799991575 /nfs/dbraw/zinc/99/15/75/799991575.db2.gz XGDIKIWXXCEGEQ-LBPRGKRZSA-N 1 1 259.271 3.167 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2cc(F)cc(F)c2)c1O ZINC001256049280 806808503 /nfs/dbraw/zinc/80/85/03/806808503.db2.gz ZDYWZFULZGHLRS-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO COC(C)(C)[C@H](C)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC000932369920 800658936 /nfs/dbraw/zinc/65/89/36/800658936.db2.gz OIVFSBXRDHITGW-JTQLQIEISA-N 1 1 299.798 3.151 20 10 CGCDMO C[N@@H+](CCc1ccc(F)cc1F)Cc1ccccc1O ZINC001116529768 802373332 /nfs/dbraw/zinc/37/33/32/802373332.db2.gz ZCVNZAYATYMPDU-UHFFFAOYSA-N 1 1 277.314 3.345 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001137831704 803776939 /nfs/dbraw/zinc/77/69/39/803776939.db2.gz KOCURGCEIKJVRZ-LBPRGKRZSA-N 1 1 277.261 3.101 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001137831704 803776944 /nfs/dbraw/zinc/77/69/44/803776944.db2.gz KOCURGCEIKJVRZ-LBPRGKRZSA-N 1 1 277.261 3.101 20 10 CGCDMO C[N@@H+](CCc1ccc(F)cc1)Cc1c([O-])cccc1F ZINC001137839211 803779968 /nfs/dbraw/zinc/77/99/68/803779968.db2.gz WMRNDQRLLHVNAM-UHFFFAOYSA-N 1 1 277.314 3.345 20 10 CGCDMO C[N@H+](CCc1ccc(F)cc1)Cc1c(O)cccc1F ZINC001137839211 803779974 /nfs/dbraw/zinc/77/99/74/803779974.db2.gz WMRNDQRLLHVNAM-UHFFFAOYSA-N 1 1 277.314 3.345 20 10 CGCDMO C[N@@H+](CCc1ccc(F)cc1)Cc1c(O)cccc1F ZINC001137839211 803779980 /nfs/dbraw/zinc/77/99/80/803779980.db2.gz WMRNDQRLLHVNAM-UHFFFAOYSA-N 1 1 277.314 3.345 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001137837506 803781607 /nfs/dbraw/zinc/78/16/07/803781607.db2.gz JMOJICPYICSGDN-CQSZACIVSA-N 1 1 287.334 3.185 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001137837506 803781611 /nfs/dbraw/zinc/78/16/11/803781611.db2.gz JMOJICPYICSGDN-CQSZACIVSA-N 1 1 287.334 3.185 20 10 CGCDMO Cc1cc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c(C)n1-c1ccccc1 ZINC001137854405 803785757 /nfs/dbraw/zinc/78/57/57/803785757.db2.gz UZKSUHPBKNXTJP-KUHUBIRLSA-N 1 1 298.430 3.439 20 10 CGCDMO Cc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c(C)n1-c1ccccc1 ZINC001137857952 803785983 /nfs/dbraw/zinc/78/59/83/803785983.db2.gz PNGLCZSYYOPCIJ-ROUUACIJSA-N 1 1 282.387 3.067 20 10 CGCDMO Cc1cc(C[N@H+]2C[C@@H]3C[C@H]2CO3)c(C)n1-c1ccccc1 ZINC001137857952 803785993 /nfs/dbraw/zinc/78/59/93/803785993.db2.gz PNGLCZSYYOPCIJ-ROUUACIJSA-N 1 1 282.387 3.067 20 10 CGCDMO Cc1c(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c2ccccc2n1C ZINC001138252783 803881736 /nfs/dbraw/zinc/88/17/36/803881736.db2.gz UWPAAFJHGFAKMN-HNAYVOBHSA-N 1 1 298.430 3.488 20 10 CGCDMO Cc1c(C[N@H+]2CCOCC2(C)C)c2ccccc2n1C ZINC001138257153 803882424 /nfs/dbraw/zinc/88/24/24/803882424.db2.gz YHKZSRNWOFQBOL-UHFFFAOYSA-N 1 1 272.392 3.098 20 10 CGCDMO Cc1c(C[NH+]2CCC(N3CCC3)CC2)c2ccccc2n1C ZINC001138259376 803884905 /nfs/dbraw/zinc/88/49/05/803884905.db2.gz HQQGLRLSAOYXJV-UHFFFAOYSA-N 1 1 297.446 3.157 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CCC[C@H](F)C3)ccc21 ZINC001138355752 803899996 /nfs/dbraw/zinc/89/99/96/803899996.db2.gz BNFGYXBUQOLBRV-HNNXBMFYSA-N 1 1 262.372 3.003 20 10 CGCDMO C[C@@H]1C(=O)CC[N@@H+](Cc2cc(F)ccc2O)C12CCCC2 ZINC001140056310 804363926 /nfs/dbraw/zinc/36/39/26/804363926.db2.gz QPQRGDXLTUYZKN-GFCCVEGCSA-N 1 1 291.366 3.255 20 10 CGCDMO Oc1cccc(Br)c1C[N@H+]1CCCC12CC2 ZINC001140098593 804377715 /nfs/dbraw/zinc/37/77/15/804377715.db2.gz GPXMIAIYHFVKBD-UHFFFAOYSA-N 1 1 282.181 3.283 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1O ZINC001140183304 804397292 /nfs/dbraw/zinc/39/72/92/804397292.db2.gz BCTINLDAYGEJKB-QGZVFWFLSA-N 1 1 275.392 3.012 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCc3cccc(O)c3C2)c1O ZINC001140184259 804399764 /nfs/dbraw/zinc/39/97/64/804399764.db2.gz PEUDCJPPMRFWBJ-UHFFFAOYSA-N 1 1 283.371 3.273 20 10 CGCDMO Oc1ccc2c(c1)CC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001140338481 804418068 /nfs/dbraw/zinc/41/80/68/804418068.db2.gz JUSQZLHFDYNMFM-UHFFFAOYSA-N 1 1 289.762 3.310 20 10 CGCDMO C[C@]1(CO)CCC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC001140338124 804418448 /nfs/dbraw/zinc/41/84/48/804418448.db2.gz VYEMWMXBXMUSSK-HNNXBMFYSA-N 1 1 283.799 3.030 20 10 CGCDMO C[C@H]1C[C@H]2C[N@@H+](Cc3ccc(Cl)cc3O)CC[C@H]2O1 ZINC001140466344 804443338 /nfs/dbraw/zinc/44/33/38/804443338.db2.gz BWHFEODNAWGBLA-ITDIGPHOSA-N 1 1 281.783 3.045 20 10 CGCDMO Nc1ccc(N(c2ccc(N)cc2)c2ccc[nH+]c2N)cc1 ZINC001212406287 815020310 /nfs/dbraw/zinc/02/03/10/815020310.db2.gz YWTYBZNGZGLWMB-UHFFFAOYSA-N 1 1 291.358 3.298 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2CN2CCCC2)c1 ZINC001140621297 804476589 /nfs/dbraw/zinc/47/65/89/804476589.db2.gz UVSASLIKPKIKEN-KRWDZBQOSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1ccc(O)c(CN2CCCC[C@H]2C[NH+]2CCCC2)c1 ZINC001140621297 804476593 /nfs/dbraw/zinc/47/65/93/804476593.db2.gz UVSASLIKPKIKEN-KRWDZBQOSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c1 ZINC001140623773 804477775 /nfs/dbraw/zinc/47/77/75/804477775.db2.gz QRWBAPYLYNAQKP-MRXNPFEDSA-N 1 1 295.382 3.405 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CCC(F)(F)C(C)(C)C2)c1O ZINC001140744064 804503417 /nfs/dbraw/zinc/50/34/17/804503417.db2.gz KLWPSEMDIVGIGB-UHFFFAOYSA-N 1 1 285.334 3.273 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCCC23CC3)c(O)c1 ZINC001140850203 804533388 /nfs/dbraw/zinc/53/33/88/804533388.db2.gz GQKUYINFRCYDCF-UHFFFAOYSA-N 1 1 274.408 3.367 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)c(Cl)c1 ZINC001140922331 804549122 /nfs/dbraw/zinc/54/91/22/804549122.db2.gz OOFCGKDUZZDAKZ-WBMJQRKESA-N 1 1 294.826 3.017 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@]23CCOC3)c(Cl)c1 ZINC001140925130 804551206 /nfs/dbraw/zinc/55/12/06/804551206.db2.gz OJSALZVTFNBUBN-INIZCTEOSA-N 1 1 294.826 3.161 20 10 CGCDMO Cc1nccnc1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001140937455 804554025 /nfs/dbraw/zinc/55/40/25/804554025.db2.gz GIDSVAWOHSIUFK-UHFFFAOYSA-N 1 1 296.418 3.017 20 10 CGCDMO Cc1ccc(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)c(O)c1 ZINC001140955479 804558236 /nfs/dbraw/zinc/55/82/36/804558236.db2.gz YXYXELOVKUCXBQ-MRXNPFEDSA-N 1 1 283.371 3.136 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC001141158591 804600654 /nfs/dbraw/zinc/60/06/54/804600654.db2.gz FWWSOMLOJFJRHS-MRXNPFEDSA-N 1 1 269.344 3.435 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CC[C@@H]2c2ccccc2)c1 ZINC001141161763 804601413 /nfs/dbraw/zinc/60/14/13/804601413.db2.gz XEAQVXVSCDXKCU-OAHLLOKOSA-N 1 1 255.317 3.045 20 10 CGCDMO C[C@H]1CCC[C@H](C)[NH+]1Cc1cc(F)c(F)cc1O ZINC001142501846 804726084 /nfs/dbraw/zinc/72/60/84/804726084.db2.gz BXMAFXHREBVZAQ-UWVGGRQHSA-N 1 1 255.308 3.433 20 10 CGCDMO C[N@H+](CCc1ccccc1)Cc1cc(F)c(F)cc1O ZINC001142502775 804726471 /nfs/dbraw/zinc/72/64/71/804726471.db2.gz XQEZOXPFINEIHF-UHFFFAOYSA-N 1 1 277.314 3.345 20 10 CGCDMO C[N@@H+](CCc1ccccc1)Cc1cc(F)c(F)cc1O ZINC001142502775 804726473 /nfs/dbraw/zinc/72/64/73/804726473.db2.gz XQEZOXPFINEIHF-UHFFFAOYSA-N 1 1 277.314 3.345 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001142513001 804729049 /nfs/dbraw/zinc/72/90/49/804729049.db2.gz SFFUXKKJILGJKH-SCZZXKLOSA-N 1 1 289.272 3.148 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001142513001 804729053 /nfs/dbraw/zinc/72/90/53/804729053.db2.gz SFFUXKKJILGJKH-SCZZXKLOSA-N 1 1 289.272 3.148 20 10 CGCDMO [O-]c1cc(F)c(F)cc1CN1CCc2ccc(F)cc2C1 ZINC001142525036 804731358 /nfs/dbraw/zinc/73/13/58/804731358.db2.gz USKJGAWHTLOXBF-UHFFFAOYSA-N 1 1 293.288 3.368 20 10 CGCDMO C[N@@H+](CCc1ccccc1F)Cc1cc(F)c(F)cc1[O-] ZINC001142531028 804733240 /nfs/dbraw/zinc/73/32/40/804733240.db2.gz NWOYBGFRNQFFIL-UHFFFAOYSA-N 1 1 295.304 3.484 20 10 CGCDMO C[N@H+](CCc1ccccc1F)Cc1cc(F)c(F)cc1O ZINC001142531028 804733246 /nfs/dbraw/zinc/73/32/46/804733246.db2.gz NWOYBGFRNQFFIL-UHFFFAOYSA-N 1 1 295.304 3.484 20 10 CGCDMO C[N@@H+](CCc1ccccc1F)Cc1cc(F)c(F)cc1O ZINC001142531028 804733251 /nfs/dbraw/zinc/73/32/51/804733251.db2.gz NWOYBGFRNQFFIL-UHFFFAOYSA-N 1 1 295.304 3.484 20 10 CGCDMO [O-]c1cc(F)c(F)cc1C[N@@H+](CC1CC1)C1CC1 ZINC001142530282 804734131 /nfs/dbraw/zinc/73/41/31/804734131.db2.gz BQSUPWZXXYIILK-UHFFFAOYSA-N 1 1 253.292 3.045 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+](CC1CC1)C1CC1 ZINC001142530282 804734133 /nfs/dbraw/zinc/73/41/33/804734133.db2.gz BQSUPWZXXYIILK-UHFFFAOYSA-N 1 1 253.292 3.045 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+](CC1CC1)C1CC1 ZINC001142530282 804734137 /nfs/dbraw/zinc/73/41/37/804734137.db2.gz BQSUPWZXXYIILK-UHFFFAOYSA-N 1 1 253.292 3.045 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)CCC1=O ZINC001143103944 804802210 /nfs/dbraw/zinc/80/22/10/804802210.db2.gz NIVYGDAOVOQDGG-ZDUSSCGKSA-N 1 1 289.419 3.491 20 10 CGCDMO CCC[C@H](CC)[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001257266577 807082134 /nfs/dbraw/zinc/08/21/34/807082134.db2.gz PGLIALMTHFBECH-AWEZNQCLSA-N 1 1 263.381 3.425 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCO[C@H](C)C1 ZINC001168138587 807321098 /nfs/dbraw/zinc/32/10/98/807321098.db2.gz AKSAMAIIFKALCR-RHSMWYFYSA-N 1 1 276.424 3.142 20 10 CGCDMO COc1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c(O)c1 ZINC001203621379 812409657 /nfs/dbraw/zinc/40/96/57/812409657.db2.gz BZSJGOAIUSFPEX-STQMWFEESA-N 1 1 261.365 3.023 20 10 CGCDMO CC[N@@H+](Cc1cccnc1)Cc1cc(Cl)ccc1O ZINC001203658524 812418907 /nfs/dbraw/zinc/41/89/07/812418907.db2.gz ZHYQJUOJTOATGB-UHFFFAOYSA-N 1 1 276.767 3.463 20 10 CGCDMO Oc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2)cc1O ZINC001203879686 812478091 /nfs/dbraw/zinc/47/80/91/812478091.db2.gz XWTUIXRUEMCNOO-OAHLLOKOSA-N 1 1 269.344 3.435 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCc3cnccc3C2)cc1 ZINC001203936096 812495968 /nfs/dbraw/zinc/49/59/68/812495968.db2.gz IXMVNEZKZLWHIZ-UHFFFAOYSA-N 1 1 295.430 3.486 20 10 CGCDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001203933663 812496260 /nfs/dbraw/zinc/49/62/60/812496260.db2.gz DNTRJBKUUZDEOQ-MRXNPFEDSA-N 1 1 276.424 3.142 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCc3ncccc3C2)cc1 ZINC001203938628 812497579 /nfs/dbraw/zinc/49/75/79/812497579.db2.gz ACSIEDQKQGFXPB-UHFFFAOYSA-N 1 1 295.430 3.486 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cc1 ZINC001203939345 812497595 /nfs/dbraw/zinc/49/75/95/812497595.db2.gz OYFNUIGSHWCNSU-BHYGNILZSA-N 1 1 276.399 3.465 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)cc1 ZINC001203941582 812497795 /nfs/dbraw/zinc/49/77/95/812497795.db2.gz CGCZZACDZSKFOO-SJLPKXTDSA-N 1 1 288.435 3.144 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](CO)CC[C@H]2C)cc1 ZINC001203936828 812497814 /nfs/dbraw/zinc/49/78/14/812497814.db2.gz OXFQOEZUFPLCKX-NVXWUHKLSA-N 1 1 290.451 3.126 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](F)C2)c2ccccc21 ZINC001204232642 812579845 /nfs/dbraw/zinc/57/98/45/812579845.db2.gz HJYZMUPEDOJRMN-AWEZNQCLSA-N 1 1 272.367 3.450 20 10 CGCDMO C[C@H]1C[C@@H](CO)[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204233364 812580408 /nfs/dbraw/zinc/58/04/08/812580408.db2.gz QTJDHFLEJAQCEF-HOCLYGCPSA-N 1 1 298.430 3.109 20 10 CGCDMO C[N@@H+](Cc1ccc(O)cc1O)Cc1ccc(F)cc1F ZINC001204280685 812593841 /nfs/dbraw/zinc/59/38/41/812593841.db2.gz MNFPZAYXMRIECN-UHFFFAOYSA-N 1 1 279.286 3.008 20 10 CGCDMO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1ccc(O)cc1O ZINC001204280690 812594169 /nfs/dbraw/zinc/59/41/69/812594169.db2.gz MRCLSWJCIFHRNV-GFCCVEGCSA-N 1 1 287.359 3.299 20 10 CGCDMO Oc1ccc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c(O)c1 ZINC001204275306 812595176 /nfs/dbraw/zinc/59/51/76/812595176.db2.gz OLGKPHCRECAVPT-GFCCVEGCSA-N 1 1 287.334 3.226 20 10 CGCDMO C[C@]1(O)CCCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204326453 812613823 /nfs/dbraw/zinc/61/38/23/812613823.db2.gz YFHQINXVRRLMRU-SFHVURJKSA-N 1 1 288.435 3.024 20 10 CGCDMO c1cnc2c(c1)C[N@@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204327556 812613936 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C[NH2+]C[C@@H]1CCCN(Cc2cccc(C(C)(C)C)c2O)C1 ZINC001205008433 812823750 /nfs/dbraw/zinc/82/37/50/812823750.db2.gz AOQXSNMZKXITQP-AWEZNQCLSA-N 1 1 290.451 3.121 20 10 CGCDMO CC[C@@H]1CO[C@H](C)C[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001205178581 812900757 /nfs/dbraw/zinc/90/07/57/812900757.db2.gz XCJIOPMNUNMOGU-RUBBHVMPSA-N 1 1 288.435 3.265 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccc[nH]c1=O ZINC001207002656 813463847 /nfs/dbraw/zinc/46/38/47/813463847.db2.gz AAWFQHOXJONKED-UHFFFAOYSA-N 1 1 297.402 3.019 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@@H](O)C2)cc1 ZINC001209519526 814072350 /nfs/dbraw/zinc/07/23/50/814072350.db2.gz WWLRGNYDHQYURD-GOSISDBHSA-N 1 1 284.403 3.051 20 10 CGCDMO Oc1c(CN2CCC[C@]23CCC[NH2+]C3)ccc2ccccc21 ZINC001222248272 816386678 /nfs/dbraw/zinc/38/66/78/816386678.db2.gz KEBXXDLRBSOAEH-IBGZPJMESA-N 1 1 296.414 3.263 20 10 CGCDMO Oc1cc2ccccc2cc1CN1CCC[C@]12CCC[NH2+]C2 ZINC001222253805 816387475 /nfs/dbraw/zinc/38/74/75/816387475.db2.gz SOKOOZQWGMITSA-IBGZPJMESA-N 1 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C[N@H+](CCc1ccccc1F)Cc1c(O)ccc(F)c1F ZINC001233335677 818588092 /nfs/dbraw/zinc/58/80/92/818588092.db2.gz GOVLTPKCWYBYGD-UHFFFAOYSA-N 1 1 295.304 3.484 20 10 CGCDMO C[N@@H+](CCc1ccccc1F)Cc1c(O)ccc(F)c1F ZINC001233335677 818588099 /nfs/dbraw/zinc/58/80/99/818588099.db2.gz GOVLTPKCWYBYGD-UHFFFAOYSA-N 1 1 295.304 3.484 20 10 CGCDMO CC(C)[N@@H+](CCCCCO)Cc1c([O-])ccc(F)c1F ZINC001233336597 818588833 /nfs/dbraw/zinc/58/88/33/818588833.db2.gz RQFUVBZSRWZHDL-UHFFFAOYSA-N 1 1 287.350 3.043 20 10 CGCDMO CC(C)[N@H+](CCCCCO)Cc1c(O)ccc(F)c1F ZINC001233336597 818588840 /nfs/dbraw/zinc/58/88/40/818588840.db2.gz RQFUVBZSRWZHDL-UHFFFAOYSA-N 1 1 287.350 3.043 20 10 CGCDMO CC(C)[N@@H+](CCCCCO)Cc1c(O)ccc(F)c1F ZINC001233336597 818588845 /nfs/dbraw/zinc/58/88/45/818588845.db2.gz RQFUVBZSRWZHDL-UHFFFAOYSA-N 1 1 287.350 3.043 20 10 CGCDMO Oc1c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cccc1C(F)(F)F ZINC001233417806 818614940 /nfs/dbraw/zinc/61/49/40/818614940.db2.gz JIYPYKQBJZVHCR-JBLDHEPKSA-N 1 1 289.272 3.343 20 10 CGCDMO Oc1c(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cccc1C(F)(F)F ZINC001233417806 818614944 /nfs/dbraw/zinc/61/49/44/818614944.db2.gz JIYPYKQBJZVHCR-JBLDHEPKSA-N 1 1 289.272 3.343 20 10 CGCDMO C[N@@H+](Cc1cccc(Cl)c1)Cc1cc(O)c(O)cc1O ZINC001233485099 818624673 /nfs/dbraw/zinc/62/46/73/818624673.db2.gz IUOFEBCPJHSORZ-UHFFFAOYSA-N 1 1 293.750 3.089 20 10 CGCDMO C[C@@H]1CN[C@@H](C)C[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001235441259 819099256 /nfs/dbraw/zinc/09/92/56/819099256.db2.gz JSMUEVNNWCOBHE-LSDHHAIUSA-N 1 1 297.446 3.088 20 10 CGCDMO C[C@@H]1CN[C@@H](C)C[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001235441259 819099258 /nfs/dbraw/zinc/09/92/58/819099258.db2.gz JSMUEVNNWCOBHE-LSDHHAIUSA-N 1 1 297.446 3.088 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CCOCC23CCC3)c(O)c1 ZINC001235679541 819137980 /nfs/dbraw/zinc/13/79/80/819137980.db2.gz PILOTLLPIIZMPE-UHFFFAOYSA-N 1 1 289.419 3.445 20 10 CGCDMO CCOC(=O)C[N@H+](CC)Cc1ccc(C(C)(C)C)cc1O ZINC001235677373 819138534 /nfs/dbraw/zinc/13/85/34/819138534.db2.gz 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/nfs/dbraw/zinc/55/06/92/819550692.db2.gz UJYYMQCWDVMWIA-UHFFFAOYSA-N 1 1 252.361 3.136 20 10 CGCDMO Oc1ccc(OCc2ccccc2)cc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001236778088 819592978 /nfs/dbraw/zinc/59/29/78/819592978.db2.gz BWLLTYYUNLPMDQ-IYBDPMFKSA-N 1 1 295.382 3.423 20 10 CGCDMO C[N@@H+](CCF)Cc1cc(OCc2ccccc2)ccc1O ZINC001236781419 819594199 /nfs/dbraw/zinc/59/41/99/819594199.db2.gz CPOBQJZSCCNUAO-UHFFFAOYSA-N 1 1 289.350 3.373 20 10 CGCDMO CCc1ccc(C[N@H+]2CCC[C@@H]2C(C)(C)OC)c(O)c1 ZINC001236787210 819594694 /nfs/dbraw/zinc/59/46/94/819594694.db2.gz ALRYJKKZPZEDAP-MRXNPFEDSA-N 1 1 277.408 3.344 20 10 CGCDMO CCc1ccc(C[N@H+]2CCCC[C@@H]2CCOC)c(O)c1 ZINC001236790919 819595444 /nfs/dbraw/zinc/59/54/44/819595444.db2.gz YSKCQHZODSRCPN-MRXNPFEDSA-N 1 1 277.408 3.346 20 10 CGCDMO CCCCCN1CC[NH+](Cc2ccc(CC)cc2O)CC1 ZINC001236788730 819595976 /nfs/dbraw/zinc/59/59/76/819595976.db2.gz NXLQSFRZAWHGKH-UHFFFAOYSA-N 1 1 290.451 3.262 20 10 CGCDMO CCc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2)c(O)c1 ZINC001236794425 819596797 /nfs/dbraw/zinc/59/67/97/819596797.db2.gz MLBAALMZIXQLAK-LBPRGKRZSA-N 1 1 273.298 3.339 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC3(CCCC3)C2)c(O)c1 ZINC001236814516 819603583 /nfs/dbraw/zinc/60/35/83/819603583.db2.gz SWHPEPSBPJSVRV-UHFFFAOYSA-N 1 1 275.392 3.475 20 10 CGCDMO C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1cc2ccccc2cc1O ZINC001236827663 819610435 /nfs/dbraw/zinc/61/04/35/819610435.db2.gz VOSBXCFFJUJLFI-ZIAGYGMSSA-N 1 1 285.387 3.138 20 10 CGCDMO CCC[N@@H+](Cc1cc(Cl)c(C)cc1[O-])C[C@H]1CC[NH2+]C1 ZINC001236844058 819620617 /nfs/dbraw/zinc/62/06/17/819620617.db2.gz SLMTZCJMYVCPQK-ZDUSSCGKSA-N 1 1 296.842 3.176 20 10 CGCDMO CCC[N@H+](Cc1cc(Cl)c(C)cc1[O-])C[C@H]1CC[NH2+]C1 ZINC001236844058 819620619 /nfs/dbraw/zinc/62/06/19/819620619.db2.gz SLMTZCJMYVCPQK-ZDUSSCGKSA-N 1 1 296.842 3.176 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2C[C@H](CO)CC[C@@H]2C)c(O)c1 ZINC001237044420 819649887 /nfs/dbraw/zinc/64/98/87/819649887.db2.gz CSPWCAVZNIYEHS-UONOGXRCSA-N 1 1 277.408 3.108 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@@H](O)CC2)c(O)c1 ZINC001237044812 819650435 /nfs/dbraw/zinc/65/04/35/819650435.db2.gz DSMJAPIKXUXXRC-CJNGLKHVSA-N 1 1 277.408 3.108 20 10 CGCDMO CCN1CC[N@@H+](Cc2ccc(C(C)C)cc2O)C(C)(C)C1 ZINC001237052077 819653010 /nfs/dbraw/zinc/65/30/10/819653010.db2.gz SYGYXQSFKGRJSV-UHFFFAOYSA-N 1 1 290.451 3.432 20 10 CGCDMO CC[N@@H+]1CCN(Cc2ccc(C(C)C)cc2O)C(C)(C)C1 ZINC001237052077 819653014 /nfs/dbraw/zinc/65/30/14/819653014.db2.gz SYGYXQSFKGRJSV-UHFFFAOYSA-N 1 1 290.451 3.432 20 10 CGCDMO CC[N@H+]1CCN(Cc2ccc(C(C)C)cc2O)C(C)(C)C1 ZINC001237052077 819653016 /nfs/dbraw/zinc/65/30/16/819653016.db2.gz SYGYXQSFKGRJSV-UHFFFAOYSA-N 1 1 290.451 3.432 20 10 CGCDMO CC(C)C[N@@H+](C)Cc1c(O)cccc1OC(F)(F)F ZINC001237119784 819671389 /nfs/dbraw/zinc/67/13/89/819671389.db2.gz KZLPNHLUYQMGPL-UHFFFAOYSA-N 1 1 277.286 3.379 20 10 CGCDMO CC1(C)C[NH+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237119076 819671805 /nfs/dbraw/zinc/67/18/05/819671805.db2.gz DDQUFXRYKPQXRS-UHFFFAOYSA-N 1 1 275.270 3.133 20 10 CGCDMO CC1(C)[C@@H]2C[N@H+](Cc3c(O)ccc(F)c3Cl)C[C@@H]21 ZINC001237127032 819674022 /nfs/dbraw/zinc/67/40/22/819674022.db2.gz SGHZLOQMHQOXDV-AOOOYVTPSA-N 1 1 269.747 3.273 20 10 CGCDMO CC(C)c1ccc(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(O)c1 ZINC001237410526 819747229 /nfs/dbraw/zinc/74/72/29/819747229.db2.gz DTFPDEOBFDQBHG-NVXWUHKLSA-N 1 1 288.435 3.090 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+](C)CCC(=O)c1cccs1 ZINC001237491942 819763833 /nfs/dbraw/zinc/76/38/33/819763833.db2.gz NBYHZOOPRAILRG-UHFFFAOYSA-N 1 1 289.400 3.467 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001237494297 819764207 /nfs/dbraw/zinc/76/42/07/819764207.db2.gz HCYSVROESBFGML-MRXNPFEDSA-N 1 1 298.386 3.139 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](Oc2ncccc2C)C1 ZINC001237494691 819764794 /nfs/dbraw/zinc/76/47/94/819764794.db2.gz KLQNVSLOCVSRLS-OAHLLOKOSA-N 1 1 298.386 3.057 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)C(C)C)cc1Br ZINC001237678252 819803796 /nfs/dbraw/zinc/80/37/96/819803796.db2.gz XENSLVVXYDBAOO-UHFFFAOYSA-N 1 1 272.186 3.303 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]3C[C@@H]32)c1O ZINC001237688892 819808850 /nfs/dbraw/zinc/80/88/50/819808850.db2.gz KCPAZVARWVRHMA-MFKMUULPSA-N 1 1 251.757 3.338 20 10 CGCDMO [O-]c1c(Cl)cc(F)cc1C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001237799175 819844301 /nfs/dbraw/zinc/84/43/01/819844301.db2.gz DSTZZDDWUBNCAB-QMTHXVAHSA-N 1 1 299.773 3.186 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CCC[C@@H](C(F)F)C2)c1O ZINC001238063347 819921281 /nfs/dbraw/zinc/92/12/81/819921281.db2.gz VTUYCYSUADBFLO-SNVBAGLBSA-N 1 1 273.298 3.317 20 10 CGCDMO CCC[N@@H+](Cc1ccc(N)cc1)Cc1ccccc1O ZINC001345159564 936804800 /nfs/dbraw/zinc/80/48/00/936804800.db2.gz KFOANNCRUNERGR-UHFFFAOYSA-N 1 1 270.376 3.387 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H]1CCCN(CC)C1)c1ccccc1O ZINC000155480865 928253606 /nfs/dbraw/zinc/25/36/06/928253606.db2.gz IPOBFUOGBURYDQ-GDBMZVCRSA-N 1 1 276.424 3.165 20 10 CGCDMO CCC(CC)[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139412803 931952113 /nfs/dbraw/zinc/95/21/13/931952113.db2.gz ODINQZBJBPTPRG-UHFFFAOYSA-N 1 1 289.467 3.059 20 10 CGCDMO CCC(CC)[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139412803 931952117 /nfs/dbraw/zinc/95/21/17/931952117.db2.gz ODINQZBJBPTPRG-UHFFFAOYSA-N 1 1 289.467 3.059 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+](C)Cc2ccncc2)c1O ZINC001140178690 931957291 /nfs/dbraw/zinc/95/72/91/931957291.db2.gz UXPPREHAHJBKKV-UHFFFAOYSA-N 1 1 256.349 3.036 20 10 CGCDMO CCC(CC)[N@@H+](CCOC)Cc1ccc(C)cc1O ZINC001461875620 937602531 /nfs/dbraw/zinc/60/25/31/937602531.db2.gz VHPCMAMTDVBAKZ-UHFFFAOYSA-N 1 1 265.397 3.338 20 10 CGCDMO C[N@@H+](Cc1ccoc1)Cc1ccc(Br)cc1O ZINC001461939815 937607733 /nfs/dbraw/zinc/60/77/33/937607733.db2.gz MSOZTGJDECUZTD-UHFFFAOYSA-N 1 1 296.164 3.380 20 10 CGCDMO CNc1ccc(C)cc1C[N@@H+](C)Cc1ccccc1O ZINC001461969930 937610171 /nfs/dbraw/zinc/61/01/71/937610171.db2.gz XSHOFRQOLLQTBN-UHFFFAOYSA-N 1 1 270.376 3.374 20 10 CGCDMO CC[C@H]1CC[N@@H+](Cc2cc(C)cc(OC)c2O)[C@H]1C ZINC001462124080 937619490 /nfs/dbraw/zinc/61/94/90/937619490.db2.gz LNQFBXKMKOKXFU-STQMWFEESA-N 1 1 263.381 3.330 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC001462377050 937636039 /nfs/dbraw/zinc/63/60/39/937636039.db2.gz UJAZWBJILCZGJM-JQWIXIFHSA-N 1 1 267.319 3.196 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCOC3(CCCC3)C2)c(Cl)c1 ZINC001308609457 933141802 /nfs/dbraw/zinc/14/18/02/933141802.db2.gz POGANXAYOHQHKY-UHFFFAOYSA-N 1 1 295.810 3.499 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCOC3(CCCC3)C2)c(Cl)c1 ZINC001308609457 933141804 /nfs/dbraw/zinc/14/18/04/933141804.db2.gz POGANXAYOHQHKY-UHFFFAOYSA-N 1 1 295.810 3.499 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCOCC2(CCC2)C1 ZINC001308676928 933156049 /nfs/dbraw/zinc/15/60/49/933156049.db2.gz GUWHTJJZWXRSJE-UHFFFAOYSA-N 1 1 281.783 3.048 20 10 CGCDMO CC[C@@H]1CC[N@@H+](Cc2c(C)cc(OC)cc2O)[C@@H]1C ZINC001308706216 933163096 /nfs/dbraw/zinc/16/30/96/933163096.db2.gz TWHXWSUDECLVHF-CHWSQXEVSA-N 1 1 263.381 3.330 20 10 CGCDMO CC[N@H+](Cc1cc(F)cc(F)c1[O-])CC1CCC1 ZINC001308713921 933163322 /nfs/dbraw/zinc/16/33/22/933163322.db2.gz DQKWWGLCLTXAKF-UHFFFAOYSA-N 1 1 255.308 3.292 20 10 CGCDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1ccc(C)cc1O ZINC001308722109 933164364 /nfs/dbraw/zinc/16/43/64/933164364.db2.gz WVHGHFDYMCTQKI-KRWDZBQOSA-N 1 1 277.408 3.482 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CC[C@@H](O)C23CCCC3)c1 ZINC001308792503 933178373 /nfs/dbraw/zinc/17/83/73/933178373.db2.gz PQBGIKGLFQXHGZ-QGZVFWFLSA-N 1 1 289.419 3.395 20 10 CGCDMO Oc1cc(Cl)ccc1C[NH2+]Cc1nnc(C2CC2)s1 ZINC001308819486 933182823 /nfs/dbraw/zinc/18/28/23/933182823.db2.gz KGGVCKFCTSIQNE-UHFFFAOYSA-N 1 1 295.795 3.064 20 10 CGCDMO CC[C@@H]1C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC001308848298 933189241 /nfs/dbraw/zinc/18/92/41/933189241.db2.gz KZELVXRUAPKCRN-ZNUVNQELSA-N 1 1 288.435 3.265 20 10 CGCDMO CC1(C)CO[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC001308929388 933206172 /nfs/dbraw/zinc/20/61/72/933206172.db2.gz ZDJXIAKDOLGPNN-SNVBAGLBSA-N 1 1 287.762 3.089 20 10 CGCDMO CCOC[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001319718551 933920999 /nfs/dbraw/zinc/92/09/99/933920999.db2.gz RQFKWFWZBMDYSO-KRWDZBQOSA-N 1 1 288.435 3.145 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCCC[C@@H]1N(C)C)c1ccc(F)cc1O ZINC001320410418 934045304 /nfs/dbraw/zinc/04/53/04/934045304.db2.gz BDWMWQSBMQDBPC-CQDKDKBSSA-N 1 1 280.387 3.055 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001324275756 934480179 /nfs/dbraw/zinc/48/01/79/934480179.db2.gz VCKDCUUMSXKPNA-BMIGLBTASA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001324275756 934480186 /nfs/dbraw/zinc/48/01/86/934480186.db2.gz VCKDCUUMSXKPNA-BMIGLBTASA-N 1 1 299.773 3.186 20 10 CGCDMO C[N@@H+](CCCC(=O)c1ccccc1)Cc1ccccc1O ZINC001325191874 934893607 /nfs/dbraw/zinc/89/36/07/934893607.db2.gz UQDKRBHDEPUNPG-UHFFFAOYSA-N 1 1 283.371 3.487 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCC1CCOCC1 ZINC001326255764 934963510 /nfs/dbraw/zinc/96/35/10/934963510.db2.gz HXFDYKIKNWBKBJ-UHFFFAOYSA-N 1 1 287.762 3.091 20 10 CGCDMO CC[N@@H+](Cc1cc(Cl)c(C)cc1O)[C@H]1CCCOC1 ZINC001330279986 935282114 /nfs/dbraw/zinc/28/21/14/935282114.db2.gz OSCRLVFGONUVCE-ZDUSSCGKSA-N 1 1 283.799 3.355 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCCC[C@H]1O ZINC001331961236 935427266 /nfs/dbraw/zinc/42/72/66/935427266.db2.gz WSGVAXHJPQPCDR-QZTJIDSGSA-N 1 1 288.435 3.022 20 10 CGCDMO CO[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001334327506 936097216 /nfs/dbraw/zinc/09/72/16/936097216.db2.gz RTMJPCRLVCFAPA-YJBOKZPZSA-N 1 1 288.435 3.286 20 10 CGCDMO OCC[N@@H+](Cc1ccc(N2CCCC2)cc1)C1CCCC1 ZINC001336893271 936226440 /nfs/dbraw/zinc/22/64/40/936226440.db2.gz KJTSIVHVAGLKPM-UHFFFAOYSA-N 1 1 288.435 3.024 20 10 CGCDMO CC[C@@H](CNCc1c(C)c2ccccc2n1C)[NH+]1CCCC1 ZINC001473926707 937830421 /nfs/dbraw/zinc/83/04/21/937830421.db2.gz FAEFHWBUPNTNGV-INIZCTEOSA-N 1 1 299.462 3.451 20 10 CGCDMO COCC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)CC(C)C ZINC001474322633 937850907 /nfs/dbraw/zinc/85/09/07/937850907.db2.gz LQJGNSCLDGGMPY-SREVYHEPSA-N 1 1 290.451 3.370 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)c1O ZINC001474379574 937856306 /nfs/dbraw/zinc/85/63/06/937856306.db2.gz XUYAKXGFHRJVJH-OAHLLOKOSA-N 1 1 297.402 3.124 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC001560659171 938268488 /nfs/dbraw/zinc/26/84/88/938268488.db2.gz ZXURVOWCVXDSER-AWEZNQCLSA-N 1 1 276.424 3.060 20 10 CGCDMO COC1(C[NH2+]Cc2cc(F)c(F)cc2O)CCC(C)CC1 ZINC001560803052 938276691 /nfs/dbraw/zinc/27/66/91/938276691.db2.gz LMYIWSLLBJKEBO-UHFFFAOYSA-N 1 1 299.361 3.355 20 10 CGCDMO CN(C)c1ccc(CNc2[nH]c3ccccc3[nH+]2)cc1 ZINC000082740760 178264153 /nfs/dbraw/zinc/26/41/53/178264153.db2.gz FYWVDVNGBCNEFY-UHFFFAOYSA-N 1 1 266.348 3.241 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCc3nc(C(C)C)ncc3C2)c1 ZINC000143383812 346114195 /nfs/dbraw/zinc/11/41/95/346114195.db2.gz ZURSWCIISPSMOO-UHFFFAOYSA-N 1 1 297.402 3.172 20 10 CGCDMO C[N@H+](Cc1c(O)ccc2ccccc21)C[C@@H]1CCOC1 ZINC000176102468 346249204 /nfs/dbraw/zinc/24/92/04/346249204.db2.gz PVVRSVOVVMRLSP-ZDUSSCGKSA-N 1 1 271.360 3.014 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000179951011 346254030 /nfs/dbraw/zinc/25/40/30/346254030.db2.gz BJKMARFJIVKNAU-LLVKDONJSA-N 1 1 289.297 3.175 20 10 CGCDMO CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])C1 ZINC000191215618 283351645 /nfs/dbraw/zinc/35/16/45/283351645.db2.gz DPOONBJXPYJGKL-RYUDHWBXSA-N 1 1 298.377 3.053 20 10 CGCDMO C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(F)cc1O ZINC000134789674 371365230 /nfs/dbraw/zinc/36/52/30/371365230.db2.gz PYKIKZBFMMPSMX-AFCVYNCWSA-N 1 1 291.366 3.140 20 10 CGCDMO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(F)cc1O ZINC000134789613 371365247 /nfs/dbraw/zinc/36/52/47/371365247.db2.gz PYKIKZBFMMPSMX-CEFQPYBMSA-N 1 1 291.366 3.140 20 10 CGCDMO Cc1ccc(C(=O)CC[N@H+](C)Cc2ccccc2O)cc1 ZINC000160540157 372255822 /nfs/dbraw/zinc/25/58/22/372255822.db2.gz JBSFVKQSKHXMGX-UHFFFAOYSA-N 1 1 283.371 3.405 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC(C)(C)[C@H]2c2ccncc2)c1 ZINC000293968543 372539602 /nfs/dbraw/zinc/53/96/02/372539602.db2.gz QKJZEKNRDSKNDY-QGZVFWFLSA-N 1 1 298.386 3.379 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(C)c(C)cc2O)CC1(C)C ZINC000295045628 372688014 /nfs/dbraw/zinc/68/80/14/372688014.db2.gz PAHWBKIVTUHCDS-MRXNPFEDSA-N 1 1 277.408 3.256 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@H]2c2cccn2C)c1O ZINC000179708007 373908070 /nfs/dbraw/zinc/90/80/70/373908070.db2.gz UAQZASQAEFDEMX-HNNXBMFYSA-N 1 1 286.375 3.076 20 10 CGCDMO Cc1cccc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)c1O ZINC000179937676 373942124 /nfs/dbraw/zinc/94/21/24/373942124.db2.gz LDJCATUAFRKEBK-AWEZNQCLSA-N 1 1 271.364 3.151 20 10 CGCDMO CSCC[C@H](C)[N@@H+](C)Cc1cccc(C)c1O ZINC000180349690 373993078 /nfs/dbraw/zinc/99/30/78/373993078.db2.gz RGUKJXAMDKRNIF-LBPRGKRZSA-N 1 1 253.411 3.274 20 10 CGCDMO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000479435680 375151321 /nfs/dbraw/zinc/15/13/21/375151321.db2.gz GSFPXCNEXMQHBB-JKIFEVAISA-N 1 1 299.462 3.305 20 10 CGCDMO Cc1c2ccccc2n(C)c1CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000479435680 375151325 /nfs/dbraw/zinc/15/13/25/375151325.db2.gz GSFPXCNEXMQHBB-JKIFEVAISA-N 1 1 299.462 3.305 20 10 CGCDMO Cc1c2ccccc2n(C)c1CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000479435680 375151328 /nfs/dbraw/zinc/15/13/28/375151328.db2.gz GSFPXCNEXMQHBB-JKIFEVAISA-N 1 1 299.462 3.305 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)CCO)c1cc(Cl)c(Cl)cc1O ZINC000192882627 375797462 /nfs/dbraw/zinc/79/74/62/375797462.db2.gz ZQYUZVUYSMFOPF-JGVFFNPUSA-N 1 1 278.179 3.121 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2cccc(OC)c2O)c1 ZINC000270981557 378421798 /nfs/dbraw/zinc/42/17/98/378421798.db2.gz DJMFQZJFCQWAFF-UHFFFAOYSA-N 1 1 287.359 3.041 20 10 CGCDMO CO[C@H](C)c1nc(C[NH2+][C@H](C)c2ccccc2O)cs1 ZINC000271724904 378502974 /nfs/dbraw/zinc/50/29/74/378502974.db2.gz YPTFSSRWHGDZIK-GHMZBOCLSA-N 1 1 292.404 3.407 20 10 CGCDMO C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(Cl)ccc1[O-] ZINC000273372992 378743246 /nfs/dbraw/zinc/74/32/46/378743246.db2.gz AVRSPXREUWITDT-LBPRGKRZSA-N 1 1 296.842 3.428 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccsc2)c1 ZINC000273409085 378746056 /nfs/dbraw/zinc/74/60/56/378746056.db2.gz PGAWREWCWVVLOV-JTQLQIEISA-N 1 1 291.372 3.091 20 10 CGCDMO C[C@@H](c1cccnc1)[N@H+](C)Cc1cccc(F)c1O ZINC000273454401 378748907 /nfs/dbraw/zinc/74/89/07/378748907.db2.gz ZOGXMBVHMSOAGK-NSHDSACASA-N 1 1 260.312 3.119 20 10 CGCDMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1cccc(F)c1O ZINC000273454401 378748911 /nfs/dbraw/zinc/74/89/11/378748911.db2.gz ZOGXMBVHMSOAGK-NSHDSACASA-N 1 1 260.312 3.119 20 10 CGCDMO COc1cccc(C[N@H+]2Cc3ccccc3OC[C@H]2C)c1O ZINC000272812900 378708094 /nfs/dbraw/zinc/70/80/94/378708094.db2.gz AZZKHOCMRJTOOR-CYBMUJFWSA-N 1 1 299.370 3.184 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](OC)CC2)c1O ZINC000372952885 379205271 /nfs/dbraw/zinc/20/52/71/379205271.db2.gz YEMWKODWKBTOKG-ZDUSSCGKSA-N 1 1 299.798 3.055 20 10 CGCDMO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2cc(C)on2)c1 ZINC000375014552 379484707 /nfs/dbraw/zinc/48/47/07/379484707.db2.gz AXDSCDHVBLFURU-HNNXBMFYSA-N 1 1 288.347 3.034 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H]2c2cc(C)on2)c1 ZINC000375014552 379484716 /nfs/dbraw/zinc/48/47/16/379484716.db2.gz AXDSCDHVBLFURU-HNNXBMFYSA-N 1 1 288.347 3.034 20 10 CGCDMO Oc1c(F)cccc1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000281275353 379827681 /nfs/dbraw/zinc/82/76/81/379827681.db2.gz YUBOCWSLLVDZAS-VIFPVBQESA-N 1 1 259.271 3.056 20 10 CGCDMO CCC[NH+]1CCC(NCc2c(C)c3ccccc3n2C)CC1 ZINC000389156419 379893505 /nfs/dbraw/zinc/89/35/05/379893505.db2.gz WFGOBRYYRMAZPF-UHFFFAOYSA-N 1 1 299.462 3.451 20 10 CGCDMO CCCN1CCC([NH2+]Cc2c(C)c3ccccc3n2C)CC1 ZINC000389156419 379893512 /nfs/dbraw/zinc/89/35/12/379893512.db2.gz WFGOBRYYRMAZPF-UHFFFAOYSA-N 1 1 299.462 3.451 20 10 CGCDMO Cc1cc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)no1 ZINC000284313641 380138936 /nfs/dbraw/zinc/13/89/36/380138936.db2.gz ZKGPYCLPDOTGPF-CYBMUJFWSA-N 1 1 285.391 3.216 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000285331894 380147621 /nfs/dbraw/zinc/14/76/21/380147621.db2.gz XNKOQCLWPNQCFX-ZFWWWQNUSA-N 1 1 281.783 3.189 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cccc(O)c1)c1ccc(F)cc1O ZINC000286331905 380196850 /nfs/dbraw/zinc/19/68/50/380196850.db2.gz XYTZIYXLXFKASC-OAHLLOKOSA-N 1 1 275.323 3.478 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CCO[C@@H](C)C1)c1ccc(F)cc1O ZINC000285960543 380154695 /nfs/dbraw/zinc/15/46/95/380154695.db2.gz GPEOFQLINZUPHO-ZOWXZIJZSA-N 1 1 281.371 3.387 20 10 CGCDMO Cc1cc(Cl)cc(CN2CCC[N@H+]3CCC[C@H]3C2)c1O ZINC000362239889 381915363 /nfs/dbraw/zinc/91/53/63/381915363.db2.gz SXIJGBWBESYQQQ-HNNXBMFYSA-N 1 1 294.826 3.024 20 10 CGCDMO CCOC[C@@H]1CCC[N@@H+](Cc2cc(OCC)ccc2O)C1 ZINC000093419439 392237427 /nfs/dbraw/zinc/23/74/27/392237427.db2.gz MRDPSPJWNOFWQW-CQSZACIVSA-N 1 1 293.407 3.039 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2CSC)c1 ZINC000093761471 392239586 /nfs/dbraw/zinc/23/95/86/392239586.db2.gz SPNJVICZSLHECW-ZDUSSCGKSA-N 1 1 281.421 3.118 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000378331645 227055494 /nfs/dbraw/zinc/05/54/94/227055494.db2.gz GDONLUICGIRZBX-UHFFFAOYSA-N 1 1 281.783 3.048 20 10 CGCDMO CC(C)C[C@H](CCO)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185614770 262062551 /nfs/dbraw/zinc/06/25/51/262062551.db2.gz AMEVHZROEQVDNL-STQMWFEESA-N 1 1 283.387 3.227 20 10 CGCDMO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2O)n[nH]1 ZINC000186130639 262081241 /nfs/dbraw/zinc/08/12/41/262081241.db2.gz GTNRFFPTHMLBRC-ONGXEEELSA-N 1 1 293.798 3.359 20 10 CGCDMO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000186174659 262082837 /nfs/dbraw/zinc/08/28/37/262082837.db2.gz PYCIWTLVJFVNDS-IAQYHMDHSA-N 1 1 283.387 3.225 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)cc1 ZINC000377245838 268060466 /nfs/dbraw/zinc/06/04/66/268060466.db2.gz OYRMQUDHPRVVPA-GOSISDBHSA-N 1 1 295.430 3.212 20 10 CGCDMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000272753563 274278672 /nfs/dbraw/zinc/27/86/72/274278672.db2.gz KBPCKDYFVPNPPX-ZDUSSCGKSA-N 1 1 287.382 3.480 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCS[C@@H](C)CC2)c1O ZINC000190696241 276379979 /nfs/dbraw/zinc/37/99/79/276379979.db2.gz KMCCMCLAVGGOBU-LBPRGKRZSA-N 1 1 281.421 3.118 20 10 CGCDMO COc1cccc2c1CC[N@H+](Cc1cccc(F)c1O)C2 ZINC000272963633 278029225 /nfs/dbraw/zinc/02/92/25/278029225.db2.gz QPDTYQUWOWNXEZ-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO COc1cccc2c1CC[N@@H+](Cc1cccc(F)c1O)C2 ZINC000272963633 278029228 /nfs/dbraw/zinc/02/92/28/278029228.db2.gz QPDTYQUWOWNXEZ-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO CC[C@H]([NH2+]CCc1c(C)noc1C)c1ccc(F)cc1O ZINC000285510064 328247912 /nfs/dbraw/zinc/24/79/12/328247912.db2.gz APEYRCHMWCMKPA-HNNXBMFYSA-N 1 1 292.354 3.420 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC(F)(F)[C@H](C)C2)c1O ZINC000291536835 328264657 /nfs/dbraw/zinc/26/46/57/328264657.db2.gz KXIQVJBJKBXBNU-LLVKDONJSA-N 1 1 255.308 3.178 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCCO[C@@H](C(C)C)C2)c1O ZINC000293868097 327171801 /nfs/dbraw/zinc/17/18/01/327171801.db2.gz CJONZXLMTFPCLS-MRXNPFEDSA-N 1 1 293.407 3.038 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186451796 329342821 /nfs/dbraw/zinc/34/28/21/329342821.db2.gz DMFMJDVTTFATPR-LJQANCHMSA-N 1 1 295.382 3.332 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1ccc(F)cc1O ZINC000528001680 330300242 /nfs/dbraw/zinc/30/02/42/330300242.db2.gz MQMJRSFNTDELAS-IUODEOHRSA-N 1 1 292.398 3.199 20 10 CGCDMO CN(C)[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000096810795 522096743 /nfs/dbraw/zinc/09/67/43/522096743.db2.gz KYJYUOMNWKOZSH-HNNXBMFYSA-N 1 1 284.403 3.071 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000127392475 522177321 /nfs/dbraw/zinc/17/73/21/522177321.db2.gz VNOCNQPXFGJJTN-QGZVFWFLSA-N 1 1 269.392 3.418 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccccc1O ZINC000363699234 522715178 /nfs/dbraw/zinc/71/51/78/522715178.db2.gz VYOGBZRGTKTPMN-UONOGXRCSA-N 1 1 271.364 3.234 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000278423279 524744057 /nfs/dbraw/zinc/74/40/57/524744057.db2.gz RXEJSTCVCZJVSC-SNVBAGLBSA-N 1 1 289.297 3.175 20 10 CGCDMO Cc1ccc(O)c(C[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC000071408167 525347118 /nfs/dbraw/zinc/34/71/18/525347118.db2.gz JHQOXPRRLZKAIC-UHFFFAOYSA-N 1 1 276.424 3.053 20 10 CGCDMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1cccnc1 ZINC000062745041 525661005 /nfs/dbraw/zinc/66/10/05/525661005.db2.gz NSVVVCZUSXBFMV-GHMZBOCLSA-N 1 1 260.312 3.338 20 10 CGCDMO Cc1cnn([C@@H]2CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)c1 ZINC000293518126 526267214 /nfs/dbraw/zinc/26/72/14/526267214.db2.gz IKWISQHKMMHKDA-QGZVFWFLSA-N 1 1 298.434 3.013 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000290363272 526329042 /nfs/dbraw/zinc/32/90/42/526329042.db2.gz AAVCIAWGKHNISM-HOCLYGCPSA-N 1 1 291.366 3.065 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000290363272 526329045 /nfs/dbraw/zinc/32/90/45/526329045.db2.gz AAVCIAWGKHNISM-HOCLYGCPSA-N 1 1 291.366 3.065 20 10 CGCDMO Oc1ccc(-c2ccccc2)cc1C[NH2+]Cc1cocn1 ZINC000730819401 572377926 /nfs/dbraw/zinc/37/79/26/572377926.db2.gz VSOVVPFAKWJIEN-UHFFFAOYSA-N 1 1 280.327 3.337 20 10 CGCDMO Cc1nc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)sc1C ZINC000743498237 572666494 /nfs/dbraw/zinc/66/64/94/572666494.db2.gz NCTJEGGCBCKPLC-UHFFFAOYSA-N 1 1 293.411 3.255 20 10 CGCDMO COCC[N@@H+](Cc1ccc(N(C)C)cc1)C1CCCC1 ZINC000746152487 572856870 /nfs/dbraw/zinc/85/68/70/572856870.db2.gz LLKWASZHSOIAPZ-UHFFFAOYSA-N 1 1 276.424 3.144 20 10 CGCDMO Oc1ccc(-c2ccccc2)cc1C[NH2+]Cc1ccon1 ZINC000747622125 572937516 /nfs/dbraw/zinc/93/75/16/572937516.db2.gz KNAUZUPSUGAYIL-UHFFFAOYSA-N 1 1 280.327 3.337 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)CC(C)(C)C)c1O ZINC000045084764 618020837 /nfs/dbraw/zinc/02/08/37/618020837.db2.gz QYFXYBXKUDRXNC-UHFFFAOYSA-N 1 1 267.344 3.212 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)CC(C)(C)C)c1O ZINC000045084764 618020844 /nfs/dbraw/zinc/02/08/44/618020844.db2.gz QYFXYBXKUDRXNC-UHFFFAOYSA-N 1 1 267.344 3.212 20 10 CGCDMO COc1ccc(C[N@@H+](C)[C@H]2CCC[C@H](C)C2)c(O)c1OC ZINC000891601402 618241039 /nfs/dbraw/zinc/24/10/39/618241039.db2.gz HIWDBYOAAYPQLG-JSGCOSHPSA-N 1 1 293.407 3.420 20 10 CGCDMO CC[C@H](C)C[N@@H+](CC)Cc1ccc(OC)c(OC)c1O ZINC000892193527 618584450 /nfs/dbraw/zinc/58/44/50/618584450.db2.gz XAGNPOHKUHNJEW-LBPRGKRZSA-N 1 1 281.396 3.277 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2CC[C@@H]2C)c1 ZINC000309779332 618768721 /nfs/dbraw/zinc/76/87/21/618768721.db2.gz MNINQNBSAASOFZ-CABZTGNLSA-N 1 1 284.197 3.351 20 10 CGCDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccccc1O ZINC000179573562 618796381 /nfs/dbraw/zinc/79/63/81/618796381.db2.gz NVLDVUJWWFBVEL-ZDUSSCGKSA-N 1 1 271.360 3.161 20 10 CGCDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1ccccc1O ZINC000195199208 619147560 /nfs/dbraw/zinc/14/75/60/619147560.db2.gz SGQYWTWVDFLNRC-INIZCTEOSA-N 1 1 263.381 3.173 20 10 CGCDMO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000228566272 619235363 /nfs/dbraw/zinc/23/53/63/619235363.db2.gz SVTUIZLGUQYUCZ-MFKMUULPSA-N 1 1 299.798 3.054 20 10 CGCDMO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000228566272 619235366 /nfs/dbraw/zinc/23/53/66/619235366.db2.gz SVTUIZLGUQYUCZ-MFKMUULPSA-N 1 1 299.798 3.054 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc(F)cc1O ZINC000062747803 619282900 /nfs/dbraw/zinc/28/29/00/619282900.db2.gz JLIURNRAMAPIRF-FZMZJTMJSA-N 1 1 287.334 3.186 20 10 CGCDMO CCc1ccc[nH+]c1NCc1cc(C)cc(OC)c1O ZINC000894410510 619524096 /nfs/dbraw/zinc/52/40/96/619524096.db2.gz PRNLMSSMHOQADB-UHFFFAOYSA-N 1 1 272.348 3.279 20 10 CGCDMO CCc1nc(C[NH2+][C@H](C)c2cc(F)ccc2O)cs1 ZINC000185397492 625355603 /nfs/dbraw/zinc/35/56/03/625355603.db2.gz KPDXIHGJWSDOCJ-SECBINFHSA-N 1 1 280.368 3.401 20 10 CGCDMO COc1cc(C)cc(C[NH2+]C2(C(F)F)CCCC2)c1O ZINC000894786155 619635072 /nfs/dbraw/zinc/63/50/72/619635072.db2.gz GCHJTGUJWVHBNW-UHFFFAOYSA-N 1 1 285.334 3.377 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895845686 619893672 /nfs/dbraw/zinc/89/36/72/619893672.db2.gz HWNISKVQDZUGFF-RISCZKNCSA-N 1 1 281.783 3.047 20 10 CGCDMO Cc1cc(C[NH2+]Cc2c(O)cccc2F)cc(C)c1O ZINC000896638530 620041358 /nfs/dbraw/zinc/04/13/58/620041358.db2.gz QXGMLQALAUWLKJ-UHFFFAOYSA-N 1 1 275.323 3.144 20 10 CGCDMO CCOc1ccccc1C[NH2+]Cc1c(O)cccc1F ZINC000896639103 620041482 /nfs/dbraw/zinc/04/14/82/620041482.db2.gz AJRUXOQFKHPRRG-UHFFFAOYSA-N 1 1 275.323 3.220 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]Cc1scnc1C1CC1 ZINC000896638515 620041545 /nfs/dbraw/zinc/04/15/45/620041545.db2.gz VMXHVZYGYWXNMY-UHFFFAOYSA-N 1 1 278.352 3.155 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]Cc1nccc2c1CCCC2 ZINC000896641616 620042362 /nfs/dbraw/zinc/04/23/62/620042362.db2.gz NUEANWBQYZBGDC-UHFFFAOYSA-N 1 1 286.350 3.095 20 10 CGCDMO CC1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000132437775 620075379 /nfs/dbraw/zinc/07/53/79/620075379.db2.gz JRDSIAPXNLNQCB-UHFFFAOYSA-N 1 1 284.197 3.387 20 10 CGCDMO C[C@H](CCCO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000798181478 620247604 /nfs/dbraw/zinc/24/76/04/620247604.db2.gz KLXRXLIBVLVXOX-ZJUUUORDSA-N 1 1 291.313 3.223 20 10 CGCDMO C[C@H]([NH2+]CCCOC(F)F)c1ccc(Cl)cc1O ZINC000841753772 620390050 /nfs/dbraw/zinc/39/00/50/620390050.db2.gz VZHFHDJQJXDGET-QMMMGPOBSA-N 1 1 279.714 3.326 20 10 CGCDMO C[C@H]([NH2+]C[C@@]1(C)CCCCO1)c1ccc(F)cc1O ZINC000927016056 620561650 /nfs/dbraw/zinc/56/16/50/620561650.db2.gz DXQILBGHDCQTCS-XHDPSFHLSA-N 1 1 267.344 3.141 20 10 CGCDMO C[C@@H]([NH2+]C[C@@]1(C)CCCCO1)c1ccc(F)cc1O ZINC000927016052 620561740 /nfs/dbraw/zinc/56/17/40/620561740.db2.gz DXQILBGHDCQTCS-IAQYHMDHSA-N 1 1 267.344 3.141 20 10 CGCDMO CCc1onc(C)c1C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000927140673 620600612 /nfs/dbraw/zinc/60/06/12/620600612.db2.gz SVKFMEFHOFEAQG-MRVPVSSYSA-N 1 1 296.317 3.380 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCOC12CCCC2)c1c(O)cccc1F ZINC000903386995 621727290 /nfs/dbraw/zinc/72/72/90/621727290.db2.gz FEUFYLJYTKKLST-SMDDNHRTSA-N 1 1 279.355 3.284 20 10 CGCDMO CSCC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000168788008 623014520 /nfs/dbraw/zinc/01/45/20/623014520.db2.gz ZDLOECZIKKFOGE-NXEZZACHSA-N 1 1 257.374 3.324 20 10 CGCDMO Cc1cnc([C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000229407893 623128684 /nfs/dbraw/zinc/12/86/84/623128684.db2.gz ITVXEIYGMFQZQH-OLZOCXBDSA-N 1 1 273.380 3.461 20 10 CGCDMO C[C@H]([NH2+]Cc1cccs1)c1ccc(F)cc1O ZINC000062745082 623264583 /nfs/dbraw/zinc/26/45/83/623264583.db2.gz TZJSDZGPWPRJAN-VIFPVBQESA-N 1 1 251.326 3.444 20 10 CGCDMO C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccccc2O)C[C@H](C)O1 ZINC000929975701 624264622 /nfs/dbraw/zinc/26/46/22/624264622.db2.gz IMZVRYCOTUHMEH-WDNDVIMCSA-N 1 1 263.381 3.028 20 10 CGCDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2ccccc2O)C1(C)C ZINC000179584883 624665964 /nfs/dbraw/zinc/66/59/64/624665964.db2.gz VYNSKRFNWRMCRQ-GDBMZVCRSA-N 1 1 263.381 3.028 20 10 CGCDMO Oc1ccc(F)cc1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000180200779 624725902 /nfs/dbraw/zinc/72/59/02/624725902.db2.gz WUHREJPDCNVZAH-INIZCTEOSA-N 1 1 293.382 3.455 20 10 CGCDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(OC)ccc2O)C1(C)C ZINC000180395360 624745081 /nfs/dbraw/zinc/74/50/81/624745081.db2.gz WQXOXXITFLXUHW-JKSUJKDBSA-N 1 1 293.407 3.036 20 10 CGCDMO CC(C)CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070976075 625047244 /nfs/dbraw/zinc/04/72/44/625047244.db2.gz MHPCZXAKJKYXMA-MRXNPFEDSA-N 1 1 277.408 3.419 20 10 CGCDMO C[C@@H]([NH2+]CC(C)(C)N1CCCCC1)c1ccc(F)cc1O ZINC000184847643 625277661 /nfs/dbraw/zinc/27/76/61/625277661.db2.gz YPTBVSPUXVXZKY-CYBMUJFWSA-N 1 1 294.414 3.446 20 10 CGCDMO CCc1cnc(C[NH2+]Cc2ccc3c(c2)CCCO3)s1 ZINC000921794774 625877674 /nfs/dbraw/zinc/87/76/74/625877674.db2.gz ZMAZIDMVLCZSLL-UHFFFAOYSA-N 1 1 288.416 3.320 20 10 CGCDMO COC/C(C)=C/C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000929295936 626001124 /nfs/dbraw/zinc/00/11/24/626001124.db2.gz NFUNUYFWJNHQBP-RVDMUPIBSA-N 1 1 288.435 3.310 20 10 CGCDMO COc1ccc(C[NH2+][C@H](c2ncccn2)C2CC2)cc1C ZINC000922581801 626016032 /nfs/dbraw/zinc/01/60/32/626016032.db2.gz VYNCFCDVNJGYAJ-INIZCTEOSA-N 1 1 283.375 3.035 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)CCC2CCOCC2)cc1 ZINC000773764654 626046264 /nfs/dbraw/zinc/04/62/64/626046264.db2.gz AVTHSIVZWHRQRS-UHFFFAOYSA-N 1 1 290.451 3.391 20 10 CGCDMO Cc1ccc([C@@H](C)NCC[NH+](C(C)C)C(C)C)c(O)c1 ZINC000020086719 634480996 /nfs/dbraw/zinc/48/09/96/634480996.db2.gz KIOBNLVHSSNHBF-OAHLLOKOSA-N 1 1 278.440 3.470 20 10 CGCDMO CCC[N@@H+](Cc1cnc(C2CC2)nc1)Cc1ccccc1O ZINC000838808571 626256296 /nfs/dbraw/zinc/25/62/96/626256296.db2.gz FIQNMUQJOXERIR-UHFFFAOYSA-N 1 1 297.402 3.472 20 10 CGCDMO CCOC[C@H]1CCCC[N@H+]1Cc1cc(OCC)ccc1O ZINC000839170622 626325295 /nfs/dbraw/zinc/32/52/95/626325295.db2.gz PTNKQKZVWLSMGO-OAHLLOKOSA-N 1 1 293.407 3.182 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CC(C)(C)C1 ZINC000753576849 626456275 /nfs/dbraw/zinc/45/62/75/626456275.db2.gz VGOQTDJADNGHCS-NSHDSACASA-N 1 1 251.345 3.399 20 10 CGCDMO C[C@@H]1C[C@H]1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000754099173 626475588 /nfs/dbraw/zinc/47/55/88/626475588.db2.gz BTTIVVDXDSOQJX-VNQPRFMTSA-N 1 1 275.392 3.029 20 10 CGCDMO C[C@@H]1C[C@@H]1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000754102008 626475609 /nfs/dbraw/zinc/47/56/09/626475609.db2.gz OOTZUPGFGDNOTK-UKRRQHHQSA-N 1 1 258.409 3.373 20 10 CGCDMO COCC[N@@H+](Cc1cc(C)cc(OC)c1O)C1CCCC1 ZINC000754721021 626584551 /nfs/dbraw/zinc/58/45/51/626584551.db2.gz ZMRNTYBRWZRFCZ-UHFFFAOYSA-N 1 1 293.407 3.100 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H]3COCC[C@H]32)c1 ZINC000754738789 626585999 /nfs/dbraw/zinc/58/59/99/626585999.db2.gz GCSXQBKDJJTFPO-GOEBONIOSA-N 1 1 275.392 3.010 20 10 CGCDMO C[C@@H]([NH2+]Cc1cn2ccsc2n1)c1ccc(F)cc1O ZINC000756455426 626706866 /nfs/dbraw/zinc/70/68/66/626706866.db2.gz KSJMITIBKOSGDW-SECBINFHSA-N 1 1 291.351 3.091 20 10 CGCDMO CCC[N@H+](CC)CCN[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756638871 626723181 /nfs/dbraw/zinc/72/31/81/626723181.db2.gz WJHVWEOHSLNPTN-OCCSQVGLSA-N 1 1 294.414 3.401 20 10 CGCDMO CCC[N@@H+](CC)CCN[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756638871 626723185 /nfs/dbraw/zinc/72/31/85/626723185.db2.gz WJHVWEOHSLNPTN-OCCSQVGLSA-N 1 1 294.414 3.401 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CCC(C)(C)C2)c1 ZINC000756778928 626731383 /nfs/dbraw/zinc/73/13/83/626731383.db2.gz GRAKZABBUSZUKJ-YPMHNXCESA-N 1 1 291.391 3.408 20 10 CGCDMO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(F)cc2O)C1(C)C ZINC000756790720 626732515 /nfs/dbraw/zinc/73/25/15/626732515.db2.gz OPUQDHILERUJHP-ZMRCNFHJSA-N 1 1 281.371 3.241 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)[C@H](C)c1nnc(C)[nH]1 ZINC000839594052 626763995 /nfs/dbraw/zinc/76/39/95/626763995.db2.gz PXOTXYHKVPLWOM-GFCCVEGCSA-N 1 1 288.395 3.182 20 10 CGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@H](C)c1nnc(C)[nH]1 ZINC000839594052 626764001 /nfs/dbraw/zinc/76/40/01/626764001.db2.gz PXOTXYHKVPLWOM-GFCCVEGCSA-N 1 1 288.395 3.182 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000839634649 626769124 /nfs/dbraw/zinc/76/91/24/626769124.db2.gz DYRIBXGMUKXECD-RTBURBONSA-N 1 1 296.414 3.061 20 10 CGCDMO Cc1nnc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)s1 ZINC000757637213 626796553 /nfs/dbraw/zinc/79/65/53/626796553.db2.gz GJDFLDVKBSJNEQ-XVKPBYJWSA-N 1 1 293.367 3.029 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCc2cccc(C)c2C1 ZINC000763508993 627161697 /nfs/dbraw/zinc/16/16/97/627161697.db2.gz WZHPBBWGOHRFTH-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO c1[nH]nc2c1CCC[C@H]2[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000765280961 627244877 /nfs/dbraw/zinc/24/48/77/627244877.db2.gz MZTNEPFGOVBHPI-QGZVFWFLSA-N 1 1 296.418 3.177 20 10 CGCDMO Cc1cc(C)cc(C[N@H+](C)Cc2cc3c(cc2O)OCO3)c1 ZINC000766091035 627294770 /nfs/dbraw/zinc/29/47/70/627294770.db2.gz KXUAFSJZFKWLPS-UHFFFAOYSA-N 1 1 299.370 3.370 20 10 CGCDMO C[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CC[C@@H]1C ZINC000766375154 627324275 /nfs/dbraw/zinc/32/42/75/627324275.db2.gz RMJZWWZWNZJPLE-STQMWFEESA-N 1 1 270.376 3.418 20 10 CGCDMO CC[N@H+](Cc1cc2c(cc1O)CCCC2)C[C@H]1CCOC1 ZINC000768446625 627480757 /nfs/dbraw/zinc/48/07/57/627480757.db2.gz LQMGIMNHSZVSMO-CQSZACIVSA-N 1 1 289.419 3.129 20 10 CGCDMO CCOc1ccc(C[N@@H+](CC2CC2)C(C)C)c(O)c1 ZINC000768676308 627492592 /nfs/dbraw/zinc/49/25/92/627492592.db2.gz WFFWOCKEYWMMPK-UHFFFAOYSA-N 1 1 263.381 3.411 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](Cc2ccccc2)C[C@H](C)O)c1 ZINC000768893891 627506729 /nfs/dbraw/zinc/50/67/29/627506729.db2.gz UPCNQWDSMYTCFN-HNNXBMFYSA-N 1 1 285.387 3.084 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)c1O ZINC000769106724 627523430 /nfs/dbraw/zinc/52/34/30/627523430.db2.gz OABWNQHDKJUDAJ-MRXNPFEDSA-N 1 1 299.370 3.444 20 10 CGCDMO CCOCC[N@@H+](CC)Cc1ccc(N(CC)CC)cc1 ZINC000769139533 627525304 /nfs/dbraw/zinc/52/53/04/627525304.db2.gz ISZHLPXZNQRJSH-UHFFFAOYSA-N 1 1 278.440 3.391 20 10 CGCDMO CC(C)C[C@@H]1COCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000769399891 627548867 /nfs/dbraw/zinc/54/88/67/627548867.db2.gz XDWWJKKFGLBXPA-OAHLLOKOSA-N 1 1 294.414 3.139 20 10 CGCDMO CC(C)C[C@@H]1COCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000769399891 627548870 /nfs/dbraw/zinc/54/88/70/627548870.db2.gz XDWWJKKFGLBXPA-OAHLLOKOSA-N 1 1 294.414 3.139 20 10 CGCDMO C[N@@H+](Cc1cn[nH]c1)Cc1cc(-c2ccccc2)ccc1O ZINC000769423296 627551243 /nfs/dbraw/zinc/55/12/43/627551243.db2.gz FCGAXHZQSZXUHV-UHFFFAOYSA-N 1 1 293.370 3.414 20 10 CGCDMO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2O)C(C)(C)CO1 ZINC000769446611 627553118 /nfs/dbraw/zinc/55/31/18/627553118.db2.gz PGGUNAGTLVEOAP-UHFFFAOYSA-N 1 1 283.799 3.435 20 10 CGCDMO Oc1ccc(Br)cc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000769513818 627560505 /nfs/dbraw/zinc/56/05/05/627560505.db2.gz FEWSROMDVADLMR-NSHDSACASA-N 1 1 296.208 3.387 20 10 CGCDMO CCCN(CCC)c1ccc(C[N@H+]2CC[C@](C)(O)C2)cc1 ZINC000769542528 627564482 /nfs/dbraw/zinc/56/44/82/627564482.db2.gz KCCUKLNAPZCCDM-SFHVURJKSA-N 1 1 290.451 3.270 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000770284223 627612009 /nfs/dbraw/zinc/61/20/09/627612009.db2.gz OBUTUVNUSPHCJL-RYUDHWBXSA-N 1 1 250.361 3.122 20 10 CGCDMO C[C@@H]1COCCC[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000772820444 627826524 /nfs/dbraw/zinc/82/65/24/627826524.db2.gz HTFJSJSTLFMVOK-GFCCVEGCSA-N 1 1 293.407 3.006 20 10 CGCDMO CCN(C)c1ccc(C[NH2+][C@H](COC)c2ccco2)cc1 ZINC000773838379 627919538 /nfs/dbraw/zinc/91/95/38/627919538.db2.gz MWSNKEBVMCXBAJ-MRXNPFEDSA-N 1 1 288.391 3.213 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCOCC3(CCC3)C2)cc1 ZINC000773843544 627920023 /nfs/dbraw/zinc/92/00/23/627920023.db2.gz CQLDCKUNBAHWMI-UHFFFAOYSA-N 1 1 288.435 3.145 20 10 CGCDMO COc1c(O)c(C[N@H+](C)[C@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000774842478 628036447 /nfs/dbraw/zinc/03/64/47/628036447.db2.gz WIFPWMHPZHPYTH-SNVBAGLBSA-N 1 1 296.367 3.175 20 10 CGCDMO COc1c(O)c(C[N@@H+](C)[C@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000774842478 628036450 /nfs/dbraw/zinc/03/64/50/628036450.db2.gz WIFPWMHPZHPYTH-SNVBAGLBSA-N 1 1 296.367 3.175 20 10 CGCDMO CCC[C@@H](C)[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775652394 628120413 /nfs/dbraw/zinc/12/04/13/628120413.db2.gz YWFWTTUUHVZGSL-MRXNPFEDSA-N 1 1 289.467 3.059 20 10 CGCDMO CCC[C@@H](C)[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775652394 628120418 /nfs/dbraw/zinc/12/04/18/628120418.db2.gz YWFWTTUUHVZGSL-MRXNPFEDSA-N 1 1 289.467 3.059 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2C(C)(C)C)cc1OC ZINC000775678624 628125017 /nfs/dbraw/zinc/12/50/17/628125017.db2.gz HEBRQXXDRDGEHG-INIZCTEOSA-N 1 1 293.407 3.420 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCOC(C)(C)[C@H]2C)c1O ZINC000775707385 628127716 /nfs/dbraw/zinc/12/77/16/628127716.db2.gz HHTJAMWHQHXQQM-LLVKDONJSA-N 1 1 283.799 3.353 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCOC(C)(C)[C@H]2C)c1O ZINC000775707385 628127719 /nfs/dbraw/zinc/12/77/19/628127719.db2.gz HHTJAMWHQHXQQM-LLVKDONJSA-N 1 1 283.799 3.353 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](OCC3CC3)C2)cc1C ZINC000777554867 628283167 /nfs/dbraw/zinc/28/31/67/628283167.db2.gz KVDOEWLCYNIXQG-KRWDZBQOSA-N 1 1 289.419 3.400 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000779605764 628417780 /nfs/dbraw/zinc/41/77/80/628417780.db2.gz YQUQMYHQEQWXKB-ZDUSSCGKSA-N 1 1 275.392 3.413 20 10 CGCDMO CC[C@H]([NH2+]Cc1nnc(C)s1)c1ccc(N(C)C)cc1 ZINC000780745897 628513662 /nfs/dbraw/zinc/51/36/62/628513662.db2.gz SXEJSXHGHLGAQN-AWEZNQCLSA-N 1 1 290.436 3.153 20 10 CGCDMO CC[N@@H+](Cc1cc(C)cc(Br)c1O)C1CC1 ZINC000781896341 628603570 /nfs/dbraw/zinc/60/35/70/628603570.db2.gz IIHGUZVOLUMDJK-UHFFFAOYSA-N 1 1 284.197 3.447 20 10 CGCDMO CC[N@H+](Cc1cc(C)cc(Br)c1O)C1CC1 ZINC000781896341 628603569 /nfs/dbraw/zinc/60/35/69/628603569.db2.gz IIHGUZVOLUMDJK-UHFFFAOYSA-N 1 1 284.197 3.447 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)[C@H](C)[C@@H](C)O1 ZINC000783537715 628723225 /nfs/dbraw/zinc/72/32/25/628723225.db2.gz BZUZGKUUEIKAGT-MGPQQGTHSA-N 1 1 289.419 3.269 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCc3ncsc3C2)cc1C ZINC000783546558 628723784 /nfs/dbraw/zinc/72/37/84/628723784.db2.gz MEDXKBWKSBPRPP-UHFFFAOYSA-N 1 1 274.389 3.024 20 10 CGCDMO COc1cc(O)c(C[N@H+]2C[C@H](C)CC(C)(C)C2)cc1OC ZINC000784006171 628764878 /nfs/dbraw/zinc/76/48/78/628764878.db2.gz DEGTXKCOFNUYGR-GFCCVEGCSA-N 1 1 293.407 3.277 20 10 CGCDMO CO[C@H](CC[NH2+][C@H](C)c1ccc(F)cc1O)C(F)(F)F ZINC000786953562 628972492 /nfs/dbraw/zinc/97/24/92/628972492.db2.gz MCUWIFPJKOLDEC-PRHODGIISA-N 1 1 295.276 3.149 20 10 CGCDMO C[C@H](O)CCC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000789328004 629124618 /nfs/dbraw/zinc/12/46/18/629124618.db2.gz XSQIXALENHIBAD-AWEZNQCLSA-N 1 1 277.408 3.298 20 10 CGCDMO CCn1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC000789482049 629137973 /nfs/dbraw/zinc/13/79/73/629137973.db2.gz YQEHNNWZRZHKSJ-UHFFFAOYSA-N 1 1 271.408 3.206 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@]2(C)CO)cc1F ZINC000789557447 629145195 /nfs/dbraw/zinc/14/51/95/629145195.db2.gz HTXSOAFEJMBZPD-KRWDZBQOSA-N 1 1 294.414 3.019 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000790930551 629241438 /nfs/dbraw/zinc/24/14/38/629241438.db2.gz FAUJMCMQZOEBKL-MRXNPFEDSA-N 1 1 293.407 3.038 20 10 CGCDMO CC1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CCC1 ZINC000790973583 629244732 /nfs/dbraw/zinc/24/47/32/629244732.db2.gz OCRQZFBLQZFIOP-UHFFFAOYSA-N 1 1 257.736 3.465 20 10 CGCDMO C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc[nH]1 ZINC000790981167 629245835 /nfs/dbraw/zinc/24/58/35/629245835.db2.gz SMZGSSLSKAJXAM-QMMMGPOBSA-N 1 1 268.719 3.364 20 10 CGCDMO Cc1cc(O)c(Cn2c[nH+]c3c2CCCC3)cc1C ZINC000862431765 629371136 /nfs/dbraw/zinc/37/11/36/629371136.db2.gz UGPVCQQWZBQDAJ-UHFFFAOYSA-N 1 1 256.349 3.133 20 10 CGCDMO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@@H](C2CC2)O1 ZINC000793219890 629430574 /nfs/dbraw/zinc/43/05/74/629430574.db2.gz PJMUCRVACHITAB-BONVTDFDSA-N 1 1 281.783 3.045 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@@H](C2CC2)O1 ZINC000793219890 629430576 /nfs/dbraw/zinc/43/05/76/629430576.db2.gz PJMUCRVACHITAB-BONVTDFDSA-N 1 1 281.783 3.045 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(C)cc1O ZINC000794803569 629578957 /nfs/dbraw/zinc/57/89/57/629578957.db2.gz APMNJKBWKZLQCP-GDBMZVCRSA-N 1 1 276.424 3.083 20 10 CGCDMO CC[C@@H]([NH2+]Cc1ccccc1CO)c1ccc(F)cc1O ZINC000796699860 629816769 /nfs/dbraw/zinc/81/67/69/629816769.db2.gz BCBUZCRWASSMFH-MRXNPFEDSA-N 1 1 289.350 3.265 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccc(F)cc1O ZINC000796703403 629817664 /nfs/dbraw/zinc/81/76/64/629817664.db2.gz UINOOERPLQRXSF-XJKSGUPXSA-N 1 1 294.414 3.446 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1ccc(F)cc1O ZINC000796931205 629859889 /nfs/dbraw/zinc/85/98/89/629859889.db2.gz ODDZVTGJFIAXLO-HUBLWGQQSA-N 1 1 281.371 3.387 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cccnc1F)c1ccc(F)cc1O ZINC000796975053 629868051 /nfs/dbraw/zinc/86/80/51/629868051.db2.gz LYYABZRFIGFFAS-CYBMUJFWSA-N 1 1 278.302 3.306 20 10 CGCDMO CC1=CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000797822086 629987511 /nfs/dbraw/zinc/98/75/11/629987511.db2.gz JBENCDSGJFHIOF-UHFFFAOYSA-N 1 1 257.377 3.423 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2ccsc2)c1O ZINC000120478619 630041585 /nfs/dbraw/zinc/04/15/85/630041585.db2.gz FMLYPMKARIFAHZ-UHFFFAOYSA-N 1 1 263.362 3.094 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@@H](C3CC3)C2)c(O)cc1C ZINC000808230570 630631453 /nfs/dbraw/zinc/63/14/53/630631453.db2.gz LBAVCXRRBXQGMH-CQSZACIVSA-N 1 1 275.392 3.331 20 10 CGCDMO CCCC[N@H+](C)C[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000808455083 630646973 /nfs/dbraw/zinc/64/69/73/630646973.db2.gz VNYCZOUVJMCDLK-AWEZNQCLSA-N 1 1 295.446 3.102 20 10 CGCDMO CCCC[N@@H+](C)C[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000808455083 630646974 /nfs/dbraw/zinc/64/69/74/630646974.db2.gz VNYCZOUVJMCDLK-AWEZNQCLSA-N 1 1 295.446 3.102 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@@H]2CCCOC2)cc1F ZINC000809692904 630784376 /nfs/dbraw/zinc/78/43/76/630784376.db2.gz JBGBYYOLFOWEGM-OAHLLOKOSA-N 1 1 294.414 3.283 20 10 CGCDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000809768250 630804132 /nfs/dbraw/zinc/80/41/32/630804132.db2.gz GHDWPZRIXQHBHW-RDJZCZTQSA-N 1 1 288.435 3.286 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1 ZINC000810026968 630830425 /nfs/dbraw/zinc/83/04/25/630830425.db2.gz IHXYRTFNRVLWHS-DLBZAZTESA-N 1 1 288.435 3.142 20 10 CGCDMO CCCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000810262714 630862595 /nfs/dbraw/zinc/86/25/95/630862595.db2.gz WAMAVIXRDRBSJM-OLZOCXBDSA-N 1 1 282.403 3.302 20 10 CGCDMO CC[N@@H+](Cc1c(O)ccc(Cl)c1F)C[C@@H](C)OC ZINC000812807980 631317020 /nfs/dbraw/zinc/31/70/20/631317020.db2.gz NQMKXVKMADDYOH-SECBINFHSA-N 1 1 275.751 3.042 20 10 CGCDMO CC[N@H+](Cc1c(O)ccc(Cl)c1F)C[C@@H](C)OC ZINC000812807980 631317024 /nfs/dbraw/zinc/31/70/24/631317024.db2.gz NQMKXVKMADDYOH-SECBINFHSA-N 1 1 275.751 3.042 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCn2cccc2[C@H]1C ZINC000876531416 634851662 /nfs/dbraw/zinc/85/16/62/634851662.db2.gz FRHVLPMPIAODOM-CYBMUJFWSA-N 1 1 256.349 3.079 20 10 CGCDMO CC[C@@H]1CC[N@@H+]1Cc1cc(C)cc(Br)c1O ZINC000814179015 631540430 /nfs/dbraw/zinc/54/04/30/631540430.db2.gz MYYIKNXJXONFEO-LLVKDONJSA-N 1 1 284.197 3.447 20 10 CGCDMO CC[C@@H]1CC[N@H+]1Cc1cc(C)cc(Br)c1O ZINC000814179015 631540440 /nfs/dbraw/zinc/54/04/40/631540440.db2.gz MYYIKNXJXONFEO-LLVKDONJSA-N 1 1 284.197 3.447 20 10 CGCDMO Cc1cc(C[N@@H+](C)Cc2ccco2)ccc1N(C)C ZINC000815010704 631703665 /nfs/dbraw/zinc/70/36/65/631703665.db2.gz NQGGBYPFKIPOLC-UHFFFAOYSA-N 1 1 258.365 3.286 20 10 CGCDMO Cc1cc(C[N@H+]2CCSC(C)(C)C2)ccc1N(C)C ZINC000815060173 631709591 /nfs/dbraw/zinc/70/95/91/631709591.db2.gz PUHLHHNBLGRPFG-UHFFFAOYSA-N 1 1 278.465 3.388 20 10 CGCDMO Cc1cc(C[N@H+](C(C)C)C2CCOCC2)ccc1N(C)C ZINC000815071169 631711445 /nfs/dbraw/zinc/71/14/45/631711445.db2.gz FHLVNYMKQJXJDG-UHFFFAOYSA-N 1 1 290.451 3.450 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)CCCSC)cc1 ZINC000815108544 631719435 /nfs/dbraw/zinc/71/94/35/631719435.db2.gz ZRVKNROBXOUTBC-UHFFFAOYSA-N 1 1 266.454 3.328 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCOC1)c1cccc(C(F)(F)F)c1O ZINC000815565341 631797088 /nfs/dbraw/zinc/79/70/88/631797088.db2.gz LETMAGLCEUOOBQ-NXEZZACHSA-N 1 1 289.297 3.098 20 10 CGCDMO C[N@H+](Cc1ccc2ccccc2c1O)C[C@@H]1CCCOC1 ZINC000816505132 631995998 /nfs/dbraw/zinc/99/59/98/631995998.db2.gz NUSUVYUTLDGMLG-AWEZNQCLSA-N 1 1 285.387 3.404 20 10 CGCDMO CCn1cc(C[N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])cn1 ZINC000816512910 631997800 /nfs/dbraw/zinc/99/78/00/631997800.db2.gz ZFDPXFSBFAPGAX-UHFFFAOYSA-N 1 1 297.761 3.033 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000816520688 632002541 /nfs/dbraw/zinc/00/25/41/632002541.db2.gz VPSSOJIKSDLCGT-QMTHXVAHSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000816520688 632002545 /nfs/dbraw/zinc/00/25/45/632002545.db2.gz VPSSOJIKSDLCGT-QMTHXVAHSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000816516420 632003289 /nfs/dbraw/zinc/00/32/89/632003289.db2.gz FHGAGTGPJIIQAH-MNOVXSKESA-N 1 1 299.773 3.043 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000816516420 632003297 /nfs/dbraw/zinc/00/32/97/632003297.db2.gz FHGAGTGPJIIQAH-MNOVXSKESA-N 1 1 299.773 3.043 20 10 CGCDMO CC1(C)C[N@@H+](Cc2ccc3ccccc3c2O)CC[C@H]1O ZINC000816586296 632017179 /nfs/dbraw/zinc/01/71/79/632017179.db2.gz FCAFMGDVTIWPSX-MRXNPFEDSA-N 1 1 285.387 3.138 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC(C)(C)[C@@H]1C(C)C ZINC000816624687 632026438 /nfs/dbraw/zinc/02/64/38/632026438.db2.gz DGRKFQLAMTXJLQ-HNNXBMFYSA-N 1 1 263.381 3.267 20 10 CGCDMO CC(C)[C@]1(CO)CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000816662783 632040441 /nfs/dbraw/zinc/04/04/41/632040441.db2.gz YHTDVWDTBAJEAF-MRXNPFEDSA-N 1 1 297.826 3.276 20 10 CGCDMO OC[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)CC1 ZINC000816665611 632040602 /nfs/dbraw/zinc/04/06/02/632040602.db2.gz OMLSZXFMVGOWBA-AWEZNQCLSA-N 1 1 285.387 3.140 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCOC[C@@H]2CC2CCC2)c1 ZINC000816667431 632041266 /nfs/dbraw/zinc/04/12/66/632041266.db2.gz NFISVMUISLKRPL-INIZCTEOSA-N 1 1 275.392 3.092 20 10 CGCDMO Cc1cccc(C[N@H+]2CCOC[C@H]2CC2CCC2)c1O ZINC000816667289 632041859 /nfs/dbraw/zinc/04/18/59/632041859.db2.gz IUCOWQVXGAFJRK-MRXNPFEDSA-N 1 1 275.392 3.092 20 10 CGCDMO Cc1cc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cc(C)n1 ZINC000817410528 632142782 /nfs/dbraw/zinc/14/27/82/632142782.db2.gz MSQQWWRPLFXYBL-UHFFFAOYSA-N 1 1 294.757 3.486 20 10 CGCDMO [NH3+][C@@H]1CCCCC[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC000817897760 632231504 /nfs/dbraw/zinc/23/15/04/632231504.db2.gz AGLSGNNJIDTIKU-QZTJIDSGSA-N 1 1 287.451 3.036 20 10 CGCDMO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000817897760 632231507 /nfs/dbraw/zinc/23/15/07/632231507.db2.gz AGLSGNNJIDTIKU-QZTJIDSGSA-N 1 1 287.451 3.036 20 10 CGCDMO C[C@@H]([NH2+]CCNC1CC1)c1ccc(N2CCCCC2)cc1 ZINC000817953748 632249190 /nfs/dbraw/zinc/24/91/90/632249190.db2.gz QFLGUIMLLUFBAD-OAHLLOKOSA-N 1 1 287.451 3.080 20 10 CGCDMO C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000817957287 632252104 /nfs/dbraw/zinc/25/21/04/632252104.db2.gz AGQKNNYCUYVHHG-MEBBXXQBSA-N 1 1 298.377 3.229 20 10 CGCDMO CCN(C)c1ccc([C@H](C)N[C@H](C[NH3+])CC(C)C)cc1 ZINC000817958151 632253048 /nfs/dbraw/zinc/25/30/48/632253048.db2.gz IKKJUZXBCMABOP-HOCLYGCPSA-N 1 1 277.456 3.167 20 10 CGCDMO C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc2ccccc2c1[O-] ZINC000817967034 632261908 /nfs/dbraw/zinc/26/19/08/632261908.db2.gz CTLGBHYMNFXDPC-CYBMUJFWSA-N 1 1 282.387 3.116 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cc(Cl)ccc1[O-] ZINC000817970073 632262293 /nfs/dbraw/zinc/26/22/93/632262293.db2.gz KWVAFLJJFPJYFW-BZPMIXESSA-N 1 1 282.815 3.356 20 10 CGCDMO C[C@H]([NH3+])[C@H](C)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817978111 632269092 /nfs/dbraw/zinc/26/90/92/632269092.db2.gz WETIXKIJQPTYIE-KKUMJFAQSA-N 1 1 275.440 3.063 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cc(Cl)ccc1[O-] ZINC000817986712 632274654 /nfs/dbraw/zinc/27/46/54/632274654.db2.gz NMNBJCZSHHJQEV-FMCLSXCISA-N 1 1 294.826 3.084 20 10 CGCDMO Cc1nsc(C)c1C[N@H+](C)Cc1ccccc1O ZINC000821390500 632763278 /nfs/dbraw/zinc/76/32/78/632763278.db2.gz BFQCHVCVIULIPX-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H](OC)C1CC1 ZINC000822653821 632999226 /nfs/dbraw/zinc/99/92/26/632999226.db2.gz CIWDPJOWNGAMBD-MRXNPFEDSA-N 1 1 263.381 3.029 20 10 CGCDMO COc1cc(C)ccc1C[N@@H+](C)Cc1ccccc1O ZINC000823409307 633101097 /nfs/dbraw/zinc/10/10/97/633101097.db2.gz XPDVUGHUEFUHIF-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCC12CCOCC2)c1ccc(F)cc1O ZINC000866530028 633175468 /nfs/dbraw/zinc/17/54/68/633175468.db2.gz VSXBYAAZOXKRKE-QWHCGFSZSA-N 1 1 293.382 3.389 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@](C)(F)C2)c1O ZINC000824471931 633249472 /nfs/dbraw/zinc/24/94/72/633249472.db2.gz JHJHUVMAYOEBJS-CQSZACIVSA-N 1 1 287.762 3.378 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@](C)(F)C2)c1O ZINC000824471931 633249474 /nfs/dbraw/zinc/24/94/74/633249474.db2.gz JHJHUVMAYOEBJS-CQSZACIVSA-N 1 1 287.762 3.378 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)CCc1ccccc1C ZINC000824554437 633258873 /nfs/dbraw/zinc/25/88/73/633258873.db2.gz GHFANQVUUUPPMD-UHFFFAOYSA-N 1 1 285.387 3.384 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@](C)(COC)C2)cc1 ZINC000824576567 633260691 /nfs/dbraw/zinc/26/06/91/633260691.db2.gz PBKQYVHAJHACPM-GOSISDBHSA-N 1 1 290.451 3.391 20 10 CGCDMO Oc1c(Br)cccc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000824650986 633268320 /nfs/dbraw/zinc/26/83/20/633268320.db2.gz RPKPIVHJRJFBQY-LBPRGKRZSA-N 1 1 282.181 3.139 20 10 CGCDMO Oc1c(Br)cccc1C[N@H+]1CC[C@H]1C1CC1 ZINC000824650986 633268321 /nfs/dbraw/zinc/26/83/21/633268321.db2.gz RPKPIVHJRJFBQY-LBPRGKRZSA-N 1 1 282.181 3.139 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824715797 633277270 /nfs/dbraw/zinc/27/72/70/633277270.db2.gz NWIPOUMOOVIUAD-YUELXQCFSA-N 1 1 295.810 3.171 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1C ZINC000824714411 633278461 /nfs/dbraw/zinc/27/84/61/633278461.db2.gz DMPNJISXVKJBKF-BRWVUGGUSA-N 1 1 289.419 3.134 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C[C@@H]1C ZINC000824820937 633295771 /nfs/dbraw/zinc/29/57/71/633295771.db2.gz RCRBGGUYUOLQQJ-SUMWQHHRSA-N 1 1 285.387 3.402 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)c(O)c1 ZINC000876585534 634862516 /nfs/dbraw/zinc/86/25/16/634862516.db2.gz NKDDZMZWGABBJA-INIZCTEOSA-N 1 1 268.360 3.433 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCc3ncsc3C2)cc1Cl ZINC000825634883 633369472 /nfs/dbraw/zinc/36/94/72/633369472.db2.gz SBGPKGRRFPLPCJ-UHFFFAOYSA-N 1 1 294.807 3.369 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCc3ncsc3C2)cc1Cl ZINC000825634883 633369476 /nfs/dbraw/zinc/36/94/76/633369476.db2.gz SBGPKGRRFPLPCJ-UHFFFAOYSA-N 1 1 294.807 3.369 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cccnc2N)cc1 ZINC000827336531 633484175 /nfs/dbraw/zinc/48/41/75/633484175.db2.gz IBPQGKGMGVUJDG-UHFFFAOYSA-N 1 1 298.434 3.142 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000827377477 633487205 /nfs/dbraw/zinc/48/72/05/633487205.db2.gz ZCUYHKJFTINDGH-MAUKXSAKSA-N 1 1 289.419 3.482 20 10 CGCDMO CC1(C)OCC[C@@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000827704465 633511229 /nfs/dbraw/zinc/51/12/29/633511229.db2.gz CLORWGVNCMBRJR-SNVBAGLBSA-N 1 1 287.762 3.089 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@]3(CCOC3)C2)ccc1N(C)C ZINC000832347791 634051940 /nfs/dbraw/zinc/05/19/40/634051940.db2.gz CMAPVURYYFIXOA-SFHVURJKSA-N 1 1 288.435 3.064 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H]3CSC[C@H]3C1)CCC2 ZINC000872722110 634196386 /nfs/dbraw/zinc/19/63/86/634196386.db2.gz NRRWUJPOLHFDRJ-GDBMZVCRSA-N 1 1 289.444 3.066 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000873156265 634264499 /nfs/dbraw/zinc/26/44/99/634264499.db2.gz KDXRGXWJPBMMMD-BHDSKKPTSA-N 1 1 299.773 3.232 20 10 CGCDMO CN(C)c1ccc(C=CC[NH2+][C@H]2CCCc3c[nH]nc32)cc1 ZINC000835043091 634330737 /nfs/dbraw/zinc/33/07/37/634330737.db2.gz MVCBOZQIUOLJPF-BDUNBXCCSA-N 1 1 296.418 3.156 20 10 CGCDMO CS[C@H]1CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835053908 634338510 /nfs/dbraw/zinc/33/85/10/634338510.db2.gz FWZMIZYOIKEIDV-AWFCHZOYSA-N 1 1 276.449 3.203 20 10 CGCDMO CC(C)[N@@H+](C)C[C@@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835055882 634339302 /nfs/dbraw/zinc/33/93/02/634339302.db2.gz OWVHYRGUTPXVRP-XITLMJRVSA-N 1 1 289.467 3.084 20 10 CGCDMO CC(C)[N@H+](C)C[C@@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835055882 634339305 /nfs/dbraw/zinc/33/93/05/634339305.db2.gz OWVHYRGUTPXVRP-XITLMJRVSA-N 1 1 289.467 3.084 20 10 CGCDMO Cc1cccc(C[N@H+](Cc2cnn(C)c2)CC(C)C)c1O ZINC000835078055 634346473 /nfs/dbraw/zinc/34/64/73/634346473.db2.gz ZNMUFCQAFDXGCR-UHFFFAOYSA-N 1 1 287.407 3.092 20 10 CGCDMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(C)cc2O)no1 ZINC000876591343 634863494 /nfs/dbraw/zinc/86/34/94/634863494.db2.gz HHJGKDPUCFEOHC-OAHLLOKOSA-N 1 1 272.348 3.334 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@H]1CCN(c2ccccc2)C1 ZINC000876616369 634869056 /nfs/dbraw/zinc/86/90/56/634869056.db2.gz XQLGKGRAJDEFHB-MRXNPFEDSA-N 1 1 296.414 3.351 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC(C)(C)C ZINC000876626116 634871259 /nfs/dbraw/zinc/87/12/59/634871259.db2.gz OURHUCWBPONTNZ-UHFFFAOYSA-N 1 1 290.451 3.126 20 10 CGCDMO COCC[N@@H+](Cc1ccc(C)o1)Cc1c(C)cccc1O ZINC000876772302 634896994 /nfs/dbraw/zinc/89/69/94/634896994.db2.gz ALZKGEPUBQUCDI-UHFFFAOYSA-N 1 1 289.375 3.251 20 10 CGCDMO Cc1cccc(O)c1C[N@H+](C)C[C@@H](C)c1nccs1 ZINC000877316438 635024563 /nfs/dbraw/zinc/02/45/63/635024563.db2.gz ZSIKNDHSWYAYHG-GFCCVEGCSA-N 1 1 276.405 3.393 20 10 CGCDMO CCCOc1ccc(C[NH2+]Cc2ccno2)cc1C ZINC000877322395 635026877 /nfs/dbraw/zinc/02/68/77/635026877.db2.gz FUJPOQMAJYYMPQ-UHFFFAOYSA-N 1 1 260.337 3.062 20 10 CGCDMO Cc1ccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)c(O)c1 ZINC000877515723 635067693 /nfs/dbraw/zinc/06/76/93/635067693.db2.gz NSJANOKWSHAAGH-HNNXBMFYSA-N 1 1 271.364 3.151 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)c(O)c1 ZINC000877517342 635067740 /nfs/dbraw/zinc/06/77/40/635067740.db2.gz NGBYVTOKWDTZST-GDBMZVCRSA-N 1 1 277.408 3.216 20 10 CGCDMO COCC1CCC([NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000840879320 635072329 /nfs/dbraw/zinc/07/23/29/635072329.db2.gz DSIAYRXOAKXHAM-LKSINWNRSA-N 1 1 281.371 3.387 20 10 CGCDMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2csnn2)c(O)c1C ZINC000840886541 635075374 /nfs/dbraw/zinc/07/53/74/635075374.db2.gz ZBSXCTWSDPEKSS-MNOVXSKESA-N 1 1 277.393 3.272 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccc(C)nn2)cc1 ZINC000840909988 635080444 /nfs/dbraw/zinc/08/04/44/635080444.db2.gz ODIUWQZHRMVRNF-UHFFFAOYSA-N 1 1 298.434 3.263 20 10 CGCDMO Cc1cc(O)c(CN(C)[C@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000840914144 635081146 /nfs/dbraw/zinc/08/11/46/635081146.db2.gz PRTDTSVEBDFUBA-ZDUSSCGKSA-N 1 1 294.826 3.023 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c(Cl)c1 ZINC000840916227 635081387 /nfs/dbraw/zinc/08/13/87/635081387.db2.gz HXUGPPRGWJMQBT-OLZOCXBDSA-N 1 1 295.810 3.212 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCS[C@H](C)CC1 ZINC000840941532 635088184 /nfs/dbraw/zinc/08/81/84/635088184.db2.gz BICRTWOHNARQKQ-CQSZACIVSA-N 1 1 278.465 3.388 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC(C)(C)C[C@@H]2C)c1O ZINC000840970215 635097306 /nfs/dbraw/zinc/09/73/06/635097306.db2.gz RLDBZTNKHCUEDE-LBPRGKRZSA-N 1 1 263.381 3.411 20 10 CGCDMO CCN(CC)c1ccc(CNC[C@H]([NH3+])c2ccccc2)cc1 ZINC000841037455 635111418 /nfs/dbraw/zinc/11/14/18/635111418.db2.gz QOUGWZPIQHWKHM-IBGZPJMESA-N 1 1 297.446 3.322 20 10 CGCDMO CC(C)(C)[C@@H](C[NH3+])NCc1ccc(N2CCCCC2)cc1 ZINC000841088017 635120067 /nfs/dbraw/zinc/12/00/67/635120067.db2.gz UXSIOUQSWQZNEG-QGZVFWFLSA-N 1 1 289.467 3.140 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)c1O ZINC000877672505 635141282 /nfs/dbraw/zinc/14/12/82/635141282.db2.gz GFFLXNOUFMTRFH-QZTJIDSGSA-N 1 1 297.398 3.399 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2Cc3cccc(O)c3C2)c1 ZINC000877703305 635156013 /nfs/dbraw/zinc/15/60/13/635156013.db2.gz APNDTWIUMPDWSR-UHFFFAOYSA-N 1 1 285.343 3.012 20 10 CGCDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000841690680 635213120 /nfs/dbraw/zinc/21/31/20/635213120.db2.gz MWIGNFRQOIGYGI-FRRDWIJNSA-N 1 1 270.376 3.417 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1ccc(Cl)cc1O ZINC000841743845 635222234 /nfs/dbraw/zinc/22/22/34/635222234.db2.gz CIEUGSLXFWZFAH-TUKIKUTGSA-N 1 1 294.826 3.323 20 10 CGCDMO C[C@@H]([NH2+]CC1CCOCC1)c1ccc(Cl)cc1O ZINC000841746648 635223858 /nfs/dbraw/zinc/22/38/58/635223858.db2.gz JQTJRCGDDCYLQH-SNVBAGLBSA-N 1 1 269.772 3.123 20 10 CGCDMO Cc1nccnc1[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000877828471 635230711 /nfs/dbraw/zinc/23/07/11/635230711.db2.gz KOVGCNXIWWTTEI-SECBINFHSA-N 1 1 295.745 3.134 20 10 CGCDMO C[C@H]([NH2+]CCc1ccncc1)c1ccc(Cl)cc1O ZINC000841757938 635231809 /nfs/dbraw/zinc/23/18/09/635231809.db2.gz IWOCJTFJUBKCBE-NSHDSACASA-N 1 1 276.767 3.334 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](Cc2cc[nH]c(=O)c2)C2CC2)cc1 ZINC000877977355 635301644 /nfs/dbraw/zinc/30/16/44/635301644.db2.gz NZGNBSFNZFHBPS-UHFFFAOYSA-N 1 1 297.402 3.018 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)cc1F ZINC000843419889 635664958 /nfs/dbraw/zinc/66/49/58/635664958.db2.gz VLTHWYSNHDJAKP-MRXNPFEDSA-N 1 1 299.393 3.276 20 10 CGCDMO C[C@@H]1CC2(C[N@H+]1Cc1cc(Cl)ccc1O)CCOCC2 ZINC000843432581 635674633 /nfs/dbraw/zinc/67/46/33/635674633.db2.gz ZASRVRIOMPKIEA-GFCCVEGCSA-N 1 1 295.810 3.437 20 10 CGCDMO CC[N@@H+](CCSC)Cc1cc(Cl)ccc1O ZINC000843437317 635676594 /nfs/dbraw/zinc/67/65/94/635676594.db2.gz AXNJHKMYXJILMQ-UHFFFAOYSA-N 1 1 259.802 3.231 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1nc(C2CC2)no1)c1ccccc1O ZINC000879649024 635826795 /nfs/dbraw/zinc/82/67/95/635826795.db2.gz IUZCFWKHDWOGBT-ZJUUUORDSA-N 1 1 273.336 3.064 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)[C@H]1CCCOC1 ZINC000844401747 635891044 /nfs/dbraw/zinc/89/10/44/635891044.db2.gz MPKXPGKWYVWVOQ-INIZCTEOSA-N 1 1 276.424 3.062 20 10 CGCDMO COc1ccc(N(C)CC[N@@H+](C)[C@H](C)c2ccccn2)cc1 ZINC000844401260 635891351 /nfs/dbraw/zinc/89/13/51/635891351.db2.gz LEERSMZLIVNKSI-OAHLLOKOSA-N 1 1 299.418 3.219 20 10 CGCDMO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000844721205 635956633 /nfs/dbraw/zinc/95/66/33/635956633.db2.gz DPTOTXNIUBRFHH-CQSZACIVSA-N 1 1 293.407 3.099 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000846105964 636144010 /nfs/dbraw/zinc/14/40/10/636144010.db2.gz ZQZPXYHMCYLAAS-CYBMUJFWSA-N 1 1 271.282 3.153 20 10 CGCDMO CCC[N@H+](Cc1ncc(Cl)n1C)Cc1ccccc1O ZINC000130722022 636503981 /nfs/dbraw/zinc/50/39/81/636503981.db2.gz YDKGXPPQTVKNPI-UHFFFAOYSA-N 1 1 293.798 3.191 20 10 CGCDMO CCC[N@@H+](Cc1ncc(Cl)n1C)Cc1ccccc1O ZINC000130722022 636503985 /nfs/dbraw/zinc/50/39/85/636503985.db2.gz YDKGXPPQTVKNPI-UHFFFAOYSA-N 1 1 293.798 3.191 20 10 CGCDMO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C12CCC2 ZINC000883017834 636508049 /nfs/dbraw/zinc/50/80/49/636508049.db2.gz COBMCSYVMWACTG-ZIAGYGMSSA-N 1 1 297.345 3.108 20 10 CGCDMO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)CO2 ZINC000883046963 636519936 /nfs/dbraw/zinc/51/99/36/636519936.db2.gz DOJJHVDZCDJROO-AWEZNQCLSA-N 1 1 291.297 3.202 20 10 CGCDMO Cc1ccncc1[C@H](C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883081300 636532892 /nfs/dbraw/zinc/53/28/92/636532892.db2.gz AMFZIUKACMCGNB-JTQLQIEISA-N 1 1 278.302 3.225 20 10 CGCDMO CCc1cnccc1[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883082829 636533479 /nfs/dbraw/zinc/53/34/79/636533479.db2.gz SCRTYPHDTWCIDU-SNVBAGLBSA-N 1 1 292.329 3.479 20 10 CGCDMO CC(C)(CC(F)(F)F)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883098890 636539985 /nfs/dbraw/zinc/53/99/85/636539985.db2.gz CKVCRHLKUTWDDN-UHFFFAOYSA-N 1 1 283.240 3.491 20 10 CGCDMO C[C@@H]1CC(CC[NH2+]Cc2cc(F)cc(F)c2O)C[C@@H](C)O1 ZINC000883113239 636544025 /nfs/dbraw/zinc/54/40/25/636544025.db2.gz NMMVGYGIFVFVQY-GHMZBOCLSA-N 1 1 299.361 3.354 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)c1O ZINC000848883324 636672160 /nfs/dbraw/zinc/67/21/60/636672160.db2.gz MGXIWXDOVRIITB-OAHLLOKOSA-N 1 1 299.418 3.068 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@H](OC(F)F)C2)c1O ZINC000848903254 636683026 /nfs/dbraw/zinc/68/30/26/636683026.db2.gz ZYKWZDCZXSTCCG-CYBMUJFWSA-N 1 1 285.334 3.158 20 10 CGCDMO CC[N@@H+](Cc1cccc(Br)c1[O-])C1CC1 ZINC000133320702 636889979 /nfs/dbraw/zinc/88/99/79/636889979.db2.gz PKKNKKXAIZQEKZ-UHFFFAOYSA-N 1 1 270.170 3.139 20 10 CGCDMO CC[N@H+](Cc1cccc(Br)c1O)C1CC1 ZINC000133320702 636889981 /nfs/dbraw/zinc/88/99/81/636889981.db2.gz PKKNKKXAIZQEKZ-UHFFFAOYSA-N 1 1 270.170 3.139 20 10 CGCDMO CC[N@@H+](Cc1cccc(Br)c1O)C1CC1 ZINC000133320702 636889983 /nfs/dbraw/zinc/88/99/83/636889983.db2.gz PKKNKKXAIZQEKZ-UHFFFAOYSA-N 1 1 270.170 3.139 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000133698298 636969257 /nfs/dbraw/zinc/96/92/57/636969257.db2.gz TWYOLEAJCOTVOA-OAHLLOKOSA-N 1 1 283.371 3.390 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1ccc(F)cc1O ZINC000850482264 637085611 /nfs/dbraw/zinc/08/56/11/637085611.db2.gz RBPAQMFVEUBUHF-HIFRSBDPSA-N 1 1 294.414 3.445 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1O)C1CC1 ZINC000850541331 637115143 /nfs/dbraw/zinc/11/51/43/637115143.db2.gz YREYIWXAMYGAMD-QMTHXVAHSA-N 1 1 277.364 3.018 20 10 CGCDMO CCCN1CC[C@@H]([NH2+][C@@H](CC)c2ccc(F)cc2O)C1 ZINC000850556079 637120093 /nfs/dbraw/zinc/12/00/93/637120093.db2.gz QSQQZGBEWDOLOB-HIFRSBDPSA-N 1 1 280.387 3.056 20 10 CGCDMO Cc1cccc(OCC[N@H+](C)Cc2ccccc2O)c1 ZINC000109773379 637267175 /nfs/dbraw/zinc/26/71/75/637267175.db2.gz YHFJPTHKWQEBGF-UHFFFAOYSA-N 1 1 271.360 3.211 20 10 CGCDMO COc1ccc(N2CCC[N@@H+](CC3CC=CC3)CC2)cc1 ZINC000851733314 637481822 /nfs/dbraw/zinc/48/18/22/637481822.db2.gz RFMOWNTZSSXTGI-UHFFFAOYSA-N 1 1 286.419 3.174 20 10 CGCDMO CO[C@@H](C[N@@H+](C)Cc1ccccc1O)C1CCCCC1 ZINC000851841296 637519730 /nfs/dbraw/zinc/51/97/30/637519730.db2.gz OPOYNCGQBMDAGF-KRWDZBQOSA-N 1 1 277.408 3.419 20 10 CGCDMO Cc1cc(C)n(CCC[NH2+][C@H](C)c2c(O)cccc2F)n1 ZINC000886491473 637539945 /nfs/dbraw/zinc/53/99/45/637539945.db2.gz FSWXJQQGCGTJJL-CYBMUJFWSA-N 1 1 291.370 3.086 20 10 CGCDMO C[C@@H](NCC[N@@H+](C)C1CCCC1)c1c(O)cccc1F ZINC000886524845 637553182 /nfs/dbraw/zinc/55/31/82/637553182.db2.gz SELSJIUXNAYJEV-GFCCVEGCSA-N 1 1 280.387 3.056 20 10 CGCDMO CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886534850 637560181 /nfs/dbraw/zinc/56/01/81/637560181.db2.gz QBYQIOYSJHCVFZ-CHWSQXEVSA-N 1 1 283.387 3.227 20 10 CGCDMO C[C@@H](C[NH2+][C@@H](C)c1c(O)cccc1F)c1ccncc1 ZINC000886536732 637561908 /nfs/dbraw/zinc/56/19/08/637561908.db2.gz NVDZGEVPDUOVSJ-RYUDHWBXSA-N 1 1 274.339 3.381 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCCSC1)c1c(O)cccc1F ZINC000886537195 637562027 /nfs/dbraw/zinc/56/20/27/637562027.db2.gz VUMDJIJPOFKPPN-VHSXEESVSA-N 1 1 255.358 3.078 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1c(O)cccc1F ZINC000886552361 637577579 /nfs/dbraw/zinc/57/75/79/637577579.db2.gz ZWTLWKNRYJQPPH-NWDGAFQWSA-N 1 1 279.355 3.284 20 10 CGCDMO C[C@H](CCO)C1(C[NH2+][C@H](C)c2c(O)cccc2F)CCC1 ZINC000886562084 637582804 /nfs/dbraw/zinc/58/28/04/637582804.db2.gz QHHJCERBSMTTNI-CHWSQXEVSA-N 1 1 295.398 3.371 20 10 CGCDMO CCOC[C@H]([NH2+][C@H](C)c1c(O)cccc1F)C(C)C ZINC000886599002 637599062 /nfs/dbraw/zinc/59/90/62/637599062.db2.gz OVWAITTXYCCYKJ-YPMHNXCESA-N 1 1 269.360 3.243 20 10 CGCDMO CC(C)SCC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886609261 637602918 /nfs/dbraw/zinc/60/29/18/637602918.db2.gz PPEZNDRYRYAXBN-SNVBAGLBSA-N 1 1 257.374 3.324 20 10 CGCDMO CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1c(O)cccc1F)OC ZINC000886617479 637608796 /nfs/dbraw/zinc/60/87/96/637608796.db2.gz PIPUWRABLOCPLD-MISXGVKJSA-N 1 1 269.360 3.243 20 10 CGCDMO CCOC(=O)C[N@H+](CCC=C(C)C)Cc1ccccc1O ZINC000852191086 637611656 /nfs/dbraw/zinc/61/16/56/637611656.db2.gz BLGFZABXDFSUAR-UHFFFAOYSA-N 1 1 291.391 3.114 20 10 CGCDMO CCOC(=O)C[N@@H+](CCC=C(C)C)Cc1ccccc1O ZINC000852191086 637611660 /nfs/dbraw/zinc/61/16/60/637611660.db2.gz BLGFZABXDFSUAR-UHFFFAOYSA-N 1 1 291.391 3.114 20 10 CGCDMO CO[C@@H](C[NH2+][C@@H](C)c1c(O)cccc1F)CC(C)C ZINC000886627221 637616985 /nfs/dbraw/zinc/61/69/85/637616985.db2.gz WLJQHWMTFKDVEV-NWDGAFQWSA-N 1 1 269.360 3.243 20 10 CGCDMO C[C@H](C[NH2+][C@@H](C)c1c(O)cccc1F)CC(F)F ZINC000886629656 637618615 /nfs/dbraw/zinc/61/86/15/637618615.db2.gz KSZUAROZKUJAMH-IUCAKERBSA-N 1 1 261.287 3.473 20 10 CGCDMO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2cscn2)c1O ZINC000852417321 637648402 /nfs/dbraw/zinc/64/84/02/637648402.db2.gz KJIMXLPLGUBBOB-QMMMGPOBSA-N 1 1 294.351 3.041 20 10 CGCDMO Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)CO)ccc1N(C)C ZINC000852428747 637652663 /nfs/dbraw/zinc/65/26/63/637652663.db2.gz WCUBNTJTTRLQOS-MAUKXSAKSA-N 1 1 290.451 3.044 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCO[C@](C)(C3CC3)C2)c1 ZINC000853527826 637862316 /nfs/dbraw/zinc/86/23/16/637862316.db2.gz GBUNIMTXTZGWME-KRWDZBQOSA-N 1 1 275.392 3.010 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccnc(C)c1 ZINC000856717318 638375630 /nfs/dbraw/zinc/37/56/30/638375630.db2.gz BOKFJMIQZNHCFK-UHFFFAOYSA-N 1 1 283.419 3.478 20 10 CGCDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000158007064 639997042 /nfs/dbraw/zinc/99/70/42/639997042.db2.gz SFEIHMVAWUSLDP-IYBDPMFKSA-N 1 1 288.435 3.001 20 10 CGCDMO Cc1cscc1C[NH2+]Cc1cccc(F)c1O ZINC000158811402 640018099 /nfs/dbraw/zinc/01/80/99/640018099.db2.gz GQDDYXYPXATLJV-UHFFFAOYSA-N 1 1 251.326 3.191 20 10 CGCDMO CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCC=CO1 ZINC000191059453 640286632 /nfs/dbraw/zinc/28/66/32/640286632.db2.gz ARUOSSFDHNLXLR-KRWDZBQOSA-N 1 1 274.408 3.267 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H](C)CO1 ZINC000245541646 640625629 /nfs/dbraw/zinc/62/56/29/640625629.db2.gz OOXKRSAQVAQPOT-HOTGVXAUSA-N 1 1 288.435 3.286 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC000245713943 640633880 /nfs/dbraw/zinc/63/38/80/640633880.db2.gz GMOOHUUEBIRNQQ-JKSUJKDBSA-N 1 1 288.435 3.001 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)CCOCc2ccccc2)c1 ZINC000091937090 640728302 /nfs/dbraw/zinc/72/83/02/640728302.db2.gz WHGMXDNCZAZMQU-UHFFFAOYSA-N 1 1 285.387 3.349 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](CC(C)C)C2CC2)c1 ZINC000092009191 640729408 /nfs/dbraw/zinc/72/94/08/640729408.db2.gz CSMUKQFLPRLHBL-UHFFFAOYSA-N 1 1 263.381 3.411 20 10 CGCDMO CS[C@@H]1CCCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000092064232 640730799 /nfs/dbraw/zinc/73/07/99/640730799.db2.gz HDZNWXGLJAAAHQ-CQSZACIVSA-N 1 1 265.422 3.418 20 10 CGCDMO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000093417768 640771317 /nfs/dbraw/zinc/77/13/17/640771317.db2.gz ZFRLHTRQCZRKNS-CVEARBPZSA-N 1 1 288.435 3.286 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1c(O)cccc1Cl ZINC000120055918 641046038 /nfs/dbraw/zinc/04/60/38/641046038.db2.gz AWQLDXWHMSCEOI-UHFFFAOYSA-N 1 1 277.751 3.383 20 10 CGCDMO C[C@@H](NCCC[NH+]1CCCCC1)c1ccc(N(C)C)cc1 ZINC000037229273 798862193 /nfs/dbraw/zinc/86/21/93/798862193.db2.gz LOSDCXULTZICEA-MRXNPFEDSA-N 1 1 289.467 3.279 20 10 CGCDMO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(N(C)C)cc1 ZINC000037229273 798862199 /nfs/dbraw/zinc/86/21/99/798862199.db2.gz LOSDCXULTZICEA-MRXNPFEDSA-N 1 1 289.467 3.279 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000093338372 798964585 /nfs/dbraw/zinc/96/45/85/798964585.db2.gz ROGFTUFHUZCMJR-UHFFFAOYSA-N 1 1 298.342 3.167 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCOC(C)(C)C2)cc1C(C)C ZINC000126272673 799006219 /nfs/dbraw/zinc/00/62/19/799006219.db2.gz YMFXQFOJWPSRPV-UHFFFAOYSA-N 1 1 277.408 3.435 20 10 CGCDMO CC[C@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@@H](C)O1 ZINC000689165580 799762046 /nfs/dbraw/zinc/76/20/46/799762046.db2.gz BCRLDALSWDJFCI-MNOVXSKESA-N 1 1 269.772 3.045 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@@H](C)O1 ZINC000689165580 799762050 /nfs/dbraw/zinc/76/20/50/799762050.db2.gz BCRLDALSWDJFCI-MNOVXSKESA-N 1 1 269.772 3.045 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@@H](C(C)C)C2)c1O ZINC000694455538 799822191 /nfs/dbraw/zinc/82/21/91/799822191.db2.gz VLPXGELOGJKMIT-CYBMUJFWSA-N 1 1 263.381 3.269 20 10 CGCDMO CCSCC[C@H](C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708465180 799988539 /nfs/dbraw/zinc/98/85/39/799988539.db2.gz DONIPXVNHZEWRX-VIFPVBQESA-N 1 1 275.364 3.292 20 10 CGCDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708423135 799988936 /nfs/dbraw/zinc/98/89/36/799988936.db2.gz PMFGAAKUDYSDEJ-CYBMUJFWSA-N 1 1 285.334 3.060 20 10 CGCDMO CC(C)O[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708423135 799988939 /nfs/dbraw/zinc/98/89/39/799988939.db2.gz PMFGAAKUDYSDEJ-CYBMUJFWSA-N 1 1 285.334 3.060 20 10 CGCDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708423135 799988943 /nfs/dbraw/zinc/98/89/43/799988943.db2.gz PMFGAAKUDYSDEJ-CYBMUJFWSA-N 1 1 285.334 3.060 20 10 CGCDMO C[C@@H](Cc1cccs1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708548701 799991566 /nfs/dbraw/zinc/99/15/66/799991566.db2.gz IMBDUHYHYLTGCW-VIFPVBQESA-N 1 1 283.343 3.453 20 10 CGCDMO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000708602533 799991764 /nfs/dbraw/zinc/99/17/64/799991764.db2.gz VHALYSPXEWOGGT-LBPRGKRZSA-N 1 1 277.261 3.306 20 10 CGCDMO CC[NH+](CC)CC[C@@H](C)NCc1ccc(OC)c(C)c1 ZINC001255950440 806795554 /nfs/dbraw/zinc/79/55/54/806795554.db2.gz HILGOKVPVIPBPX-OAHLLOKOSA-N 1 1 278.440 3.214 20 10 CGCDMO C[C@@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)c1ccc(F)cc1O ZINC000717274611 800199142 /nfs/dbraw/zinc/19/91/42/800199142.db2.gz SAMUZXVHLVROTG-DGCLKSJQSA-N 1 1 281.371 3.387 20 10 CGCDMO Cc1cncc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756782213 800380442 /nfs/dbraw/zinc/38/04/42/800380442.db2.gz AFHXQCQTWRPTJW-JTQLQIEISA-N 1 1 278.302 3.225 20 10 CGCDMO C[C@@H]1CCC[C@@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)O1 ZINC000850379327 800517927 /nfs/dbraw/zinc/51/79/27/800517927.db2.gz LAVGVWGTIGMQRD-ZJUUUORDSA-N 1 1 287.762 3.232 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1ccns1)c1c(O)cccc1F ZINC000886643277 800545855 /nfs/dbraw/zinc/54/58/55/800545855.db2.gz PXHBGOJQTHTYGK-DTWKUNHWSA-N 1 1 266.341 3.400 20 10 CGCDMO C[C@H](Cc1ccncc1)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001256748587 806971267 /nfs/dbraw/zinc/97/12/67/806971267.db2.gz NRDZZIUKBYSXBQ-OAHLLOKOSA-N 1 1 283.419 3.211 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1CCOC12CCCC2 ZINC001120071951 802732917 /nfs/dbraw/zinc/73/29/17/802732917.db2.gz PRUJKQJMVSANEK-AWEZNQCLSA-N 1 1 299.773 3.376 20 10 CGCDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(N)cc1 ZINC001120371331 802742528 /nfs/dbraw/zinc/74/25/28/802742528.db2.gz VVDDQVHHEVSPRS-SKDRFNHKSA-N 1 1 258.287 3.042 20 10 CGCDMO Nc1ccc(C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC001120371428 802742738 /nfs/dbraw/zinc/74/27/38/802742738.db2.gz YMYRODZBFWEKML-INIZCTEOSA-N 1 1 284.378 3.473 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC001204992392 812814611 /nfs/dbraw/zinc/81/46/11/812814611.db2.gz CBFBMFVPJGKKJH-HNNXBMFYSA-N 1 1 297.345 3.061 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC001204992392 812814617 /nfs/dbraw/zinc/81/46/17/812814617.db2.gz CBFBMFVPJGKKJH-HNNXBMFYSA-N 1 1 297.345 3.061 20 10 CGCDMO Cn1ccc2c1cc[nH+]c2-c1c[nH]c2ncc(F)cc12 ZINC001245424939 803733949 /nfs/dbraw/zinc/73/39/49/803733949.db2.gz BKQVXHXYSXBVDI-UHFFFAOYSA-N 1 1 266.279 3.256 20 10 CGCDMO Oc1cccc(F)c1C[NH+]1CCc2ccccc2CC1 ZINC001137837665 803779116 /nfs/dbraw/zinc/77/91/16/803779116.db2.gz QGINQVRLPYOBNR-UHFFFAOYSA-N 1 1 271.335 3.132 20 10 CGCDMO O=C(c1ccccc1)[C@@H]1CC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137841691 803780225 /nfs/dbraw/zinc/78/02/25/803780225.db2.gz QFSAPVYXKPLRDP-CQSZACIVSA-N 1 1 299.345 3.236 20 10 CGCDMO O=C(c1ccccc1)[C@@H]1CC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137841691 803780237 /nfs/dbraw/zinc/78/02/37/803780237.db2.gz QFSAPVYXKPLRDP-CQSZACIVSA-N 1 1 299.345 3.236 20 10 CGCDMO O=C(c1ccccc1)[C@@H]1CC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137841691 803780239 /nfs/dbraw/zinc/78/02/39/803780239.db2.gz QFSAPVYXKPLRDP-CQSZACIVSA-N 1 1 299.345 3.236 20 10 CGCDMO Cc1cc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c(C)n1-c1ccccc1 ZINC001137858178 803785606 /nfs/dbraw/zinc/78/56/06/803785606.db2.gz ZNWODWVINPJADP-LIRRHRJNSA-N 1 1 298.430 3.439 20 10 CGCDMO Cc1cc(C[N@@H+]2CCO[C@H](C)C2)c(C)n1-c1ccccc1 ZINC001137856151 803785804 /nfs/dbraw/zinc/78/58/04/803785804.db2.gz RWVUGIQPUYVXNX-OAHLLOKOSA-N 1 1 284.403 3.315 20 10 CGCDMO Cc1cc(C[N@H+]2CCO[C@H](C)C2)c(C)n1-c1ccccc1 ZINC001137856151 803785814 /nfs/dbraw/zinc/78/58/14/803785814.db2.gz RWVUGIQPUYVXNX-OAHLLOKOSA-N 1 1 284.403 3.315 20 10 CGCDMO Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)c(C)n1-c1ccccc1 ZINC001137859008 803787634 /nfs/dbraw/zinc/78/76/34/803787634.db2.gz FCESLXSWRGBEQF-RTBURBONSA-N 1 1 296.414 3.457 20 10 CGCDMO Cc1cc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)c(C)n1-c1ccccc1 ZINC001137859008 803787639 /nfs/dbraw/zinc/78/76/39/803787639.db2.gz FCESLXSWRGBEQF-RTBURBONSA-N 1 1 296.414 3.457 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001138127657 803862900 /nfs/dbraw/zinc/86/29/00/803862900.db2.gz KCEDSDYXDSLSGN-SNVBAGLBSA-N 1 1 259.271 3.008 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001138127657 803862910 /nfs/dbraw/zinc/86/29/10/803862910.db2.gz KCEDSDYXDSLSGN-SNVBAGLBSA-N 1 1 259.271 3.008 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCC1=O ZINC001138215543 803874906 /nfs/dbraw/zinc/87/49/06/803874906.db2.gz JGTZKQZVAQQCMX-OAHLLOKOSA-N 1 1 286.419 3.088 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCC1=O ZINC001138215543 803874914 /nfs/dbraw/zinc/87/49/14/803874914.db2.gz JGTZKQZVAQQCMX-OAHLLOKOSA-N 1 1 286.419 3.088 20 10 CGCDMO COC[C@H]1CCCC[N@H+]1Cc1c(C)n(C)c2ccccc21 ZINC001138252344 803879936 /nfs/dbraw/zinc/87/99/36/803879936.db2.gz CUZFYCJFILCWEW-OAHLLOKOSA-N 1 1 286.419 3.488 20 10 CGCDMO Cc1c(C[N@H+]2CC[C@@](C)(O)[C@@H](C)C2)c2ccccc2n1C ZINC001138252472 803880408 /nfs/dbraw/zinc/88/04/08/803880408.db2.gz IBGQEUQJNHGZJC-SCLBCKFNSA-N 1 1 286.419 3.080 20 10 CGCDMO Cc1c(C[N@H+]2CCC(=O)C[C@H]2C)c2ccccc2n1C ZINC001138252777 803882554 /nfs/dbraw/zinc/88/25/54/803882554.db2.gz USAOYFGWQHMZPJ-GFCCVEGCSA-N 1 1 270.376 3.040 20 10 CGCDMO Cc1c(C[N@@H+]2CCC(=O)C[C@H]2C)c2ccccc2n1C ZINC001138252777 803882562 /nfs/dbraw/zinc/88/25/62/803882562.db2.gz USAOYFGWQHMZPJ-GFCCVEGCSA-N 1 1 270.376 3.040 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2c(C)n(C)c3ccccc32)C1 ZINC001138252680 803882776 /nfs/dbraw/zinc/88/27/76/803882776.db2.gz PTLJGUQQVQRDCW-AWEZNQCLSA-N 1 1 272.392 3.098 20 10 CGCDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138354971 803900948 /nfs/dbraw/zinc/90/09/48/803900948.db2.gz XDMPJQVQUQMJGP-KRWDZBQOSA-N 1 1 288.435 3.070 20 10 CGCDMO CCCC[C@H]1C[C@@H](NCc2ccc3c(c2)CCO3)CC[NH2+]1 ZINC001246199188 804205314 /nfs/dbraw/zinc/20/53/14/804205314.db2.gz KDBYVWVDWQZMCI-IRXDYDNUSA-N 1 1 288.435 3.022 20 10 CGCDMO CC[N@@H+](Cc1cn2c(cccc2F)n1)Cc1ccccc1O ZINC001139573585 804212977 /nfs/dbraw/zinc/21/29/77/804212977.db2.gz GYYLCBMVMZSFPC-UHFFFAOYSA-N 1 1 299.349 3.201 20 10 CGCDMO CCC[N@@H+](Cc1ccc(N(C)C)c(C)c1)C1CCOCC1 ZINC001139674164 804248004 /nfs/dbraw/zinc/24/80/04/804248004.db2.gz SFEFWRSYNWNXPC-UHFFFAOYSA-N 1 1 290.451 3.452 20 10 CGCDMO CCCC[C@@H]1C[C@@H](NCc2ccc(OC)c(C)c2)CC[NH2+]1 ZINC001246346560 804298738 /nfs/dbraw/zinc/29/87/38/804298738.db2.gz NVJJIVGJFHTPDO-SJORKVTESA-N 1 1 290.451 3.404 20 10 CGCDMO Oc1ccc(F)cc1C[N@@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001140058439 804364916 /nfs/dbraw/zinc/36/49/16/804364916.db2.gz ZBLRMMAOEHSYFL-LBPRGKRZSA-N 1 1 277.261 3.101 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001140058439 804364924 /nfs/dbraw/zinc/36/49/24/804364924.db2.gz ZBLRMMAOEHSYFL-LBPRGKRZSA-N 1 1 277.261 3.101 20 10 CGCDMO Oc1cccc(Br)c1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001140103957 804377198 /nfs/dbraw/zinc/37/71/98/804377198.db2.gz VNSNPTYKTMHQHT-SKDRFNHKSA-N 1 1 282.181 3.139 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140181447 804397278 /nfs/dbraw/zinc/39/72/78/804397278.db2.gz BQEBVKZNGGNODH-CQSZACIVSA-N 1 1 263.381 3.010 20 10 CGCDMO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H]1c1cnccn1 ZINC001140341224 804420723 /nfs/dbraw/zinc/42/07/23/804420723.db2.gz DZZYZNBTUGMTIW-AWEZNQCLSA-N 1 1 289.766 3.173 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@H]1c1cnccn1 ZINC001140341224 804420726 /nfs/dbraw/zinc/42/07/26/804420726.db2.gz DZZYZNBTUGMTIW-AWEZNQCLSA-N 1 1 289.766 3.173 20 10 CGCDMO Cc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)ccc1O ZINC001140576227 804464452 /nfs/dbraw/zinc/46/44/52/804464452.db2.gz MGXQAIXSTGPGBB-UHFFFAOYSA-N 1 1 284.403 3.399 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)Cc2cccnc2C)c1 ZINC001140623864 804477898 /nfs/dbraw/zinc/47/78/98/804477898.db2.gz VMVGQLMVVLZZOA-UHFFFAOYSA-N 1 1 256.349 3.036 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)c1O ZINC001140745953 804503365 /nfs/dbraw/zinc/50/33/65/804503365.db2.gz QSPQCRHXMKBGEP-MRXNPFEDSA-N 1 1 298.386 3.008 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CCCC3(CCC3)C2)c1O ZINC001140750042 804505174 /nfs/dbraw/zinc/50/51/74/804505174.db2.gz UDFQMDFGMRUVBV-UHFFFAOYSA-N 1 1 261.365 3.172 20 10 CGCDMO CN(Cc1ccccc1O)[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256924427 807013229 /nfs/dbraw/zinc/01/32/29/807013229.db2.gz XBALWPIFOZAMSZ-KRWDZBQOSA-N 1 1 288.435 3.231 20 10 CGCDMO C[N@H+](Cc1ccccc1O)[C@H]1CCCN(C2CCCC2)C1 ZINC001256924427 807013237 /nfs/dbraw/zinc/01/32/37/807013237.db2.gz XBALWPIFOZAMSZ-KRWDZBQOSA-N 1 1 288.435 3.231 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)[C@H]1CCCN(C2CCCC2)C1 ZINC001256924427 807013243 /nfs/dbraw/zinc/01/32/43/807013243.db2.gz XBALWPIFOZAMSZ-KRWDZBQOSA-N 1 1 288.435 3.231 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140921304 804549572 /nfs/dbraw/zinc/54/95/72/804549572.db2.gz APUPOQKVPQBVNU-NSHDSACASA-N 1 1 252.789 3.248 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2CF)c(Cl)c1 ZINC001140926875 804551324 /nfs/dbraw/zinc/55/13/24/804551324.db2.gz YSIGFCDREPGKBX-CYBMUJFWSA-N 1 1 270.779 3.340 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2CF)c(Cl)c1 ZINC001140926875 804551326 /nfs/dbraw/zinc/55/13/26/804551326.db2.gz YSIGFCDREPGKBX-CYBMUJFWSA-N 1 1 270.779 3.340 20 10 CGCDMO Cc1ccc(C[N@H+]2CCCC(F)(F)[C@@H](F)C2)c(O)c1 ZINC001140948197 804556122 /nfs/dbraw/zinc/55/61/22/804556122.db2.gz XWLRCSGURFBRBF-ZDUSSCGKSA-N 1 1 273.298 3.270 20 10 CGCDMO c1c(C[N@H+]2C[C@H]3CC[C@@H]2C3)cc2c3c1CCCN3CCC2 ZINC001141078442 804585005 /nfs/dbraw/zinc/58/50/05/804585005.db2.gz WAHHBNYCCWDQOW-KBXCAEBGSA-N 1 1 282.431 3.370 20 10 CGCDMO CN1CCOc2cc(C[N@H+]3CC[C@H]4CCC[C@H]4C3)ccc21 ZINC001141142088 804596617 /nfs/dbraw/zinc/59/66/17/804596617.db2.gz FEPXHYBJMYVELK-CVEARBPZSA-N 1 1 286.419 3.137 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c1 ZINC001141160016 804599464 /nfs/dbraw/zinc/59/94/64/804599464.db2.gz PHXUPJFHEWWNJK-SWLSCSKDSA-N 1 1 261.365 3.252 20 10 CGCDMO COc1cccc([C@H]2CC[N@@H+](Cc3cc(O)ccc3O)C2)c1 ZINC001141162196 804602037 /nfs/dbraw/zinc/60/20/37/804602037.db2.gz MFFKXPBAOWMBAM-AWEZNQCLSA-N 1 1 299.370 3.096 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC001142524667 804731954 /nfs/dbraw/zinc/73/19/54/804731954.db2.gz GBHNGFSYLWJDNY-QMMMGPOBSA-N 1 1 281.224 3.055 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001142524667 804731958 /nfs/dbraw/zinc/73/19/58/804731958.db2.gz GBHNGFSYLWJDNY-QMMMGPOBSA-N 1 1 281.224 3.055 20 10 CGCDMO CCN1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143103854 804801457 /nfs/dbraw/zinc/80/14/57/804801457.db2.gz LUBJTXUNKDUOSD-UHFFFAOYSA-N 1 1 290.451 3.217 20 10 CGCDMO CC[N@@H+]1CCCN(Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143103854 804801461 /nfs/dbraw/zinc/80/14/61/804801461.db2.gz LUBJTXUNKDUOSD-UHFFFAOYSA-N 1 1 290.451 3.217 20 10 CGCDMO CC[N@H+]1CCCN(Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143103854 804801472 /nfs/dbraw/zinc/80/14/72/804801472.db2.gz LUBJTXUNKDUOSD-UHFFFAOYSA-N 1 1 290.451 3.217 20 10 CGCDMO C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143104003 804801505 /nfs/dbraw/zinc/80/15/05/804801505.db2.gz NZEDGZZFIRCCCV-KGLIPLIRSA-N 1 1 291.435 3.283 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CCCC[C@H]2CO)c1O ZINC001143101909 804801765 /nfs/dbraw/zinc/80/17/65/804801765.db2.gz OUHZPTUPINGHJJ-AWEZNQCLSA-N 1 1 277.408 3.037 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2O)[C@H]1CO ZINC001143103530 804802244 /nfs/dbraw/zinc/80/22/44/804802244.db2.gz FISLURWXWAONBZ-BBRMVZONSA-N 1 1 291.435 3.283 20 10 CGCDMO Oc1c(Nc2cc[nH+]cc2C(F)(F)F)ccc(F)c1F ZINC001249594723 805184936 /nfs/dbraw/zinc/18/49/36/805184936.db2.gz VTCBVHOWDRAAAL-UHFFFAOYSA-N 1 1 290.191 3.250 20 10 CGCDMO C[C@@H](CC1CC1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001258462406 807465399 /nfs/dbraw/zinc/46/53/99/807465399.db2.gz JKLIDBCYYZYJBK-HNNXBMFYSA-N 1 1 288.435 3.144 20 10 CGCDMO C[C@H]1CC[C@@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001170147619 807774683 /nfs/dbraw/zinc/77/46/83/807774683.db2.gz DFWOMHGQJISLMO-SMDDNHRTSA-N 1 1 261.365 3.035 20 10 CGCDMO CC[C@H]1C[C@H]([N@@H+](CC)Cc2ccccc2O)CCO1 ZINC001170235218 807800002 /nfs/dbraw/zinc/80/00/02/807800002.db2.gz KUYJVHGPZPPKIU-CABCVRRESA-N 1 1 263.381 3.172 20 10 CGCDMO CC[C@@H](C)OCC[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC001172352764 808249746 /nfs/dbraw/zinc/24/97/46/808249746.db2.gz JEROFASBMYNGSV-ZIAGYGMSSA-N 1 1 265.397 3.418 20 10 CGCDMO CC[C@@H]1CC[C@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001173291365 808590954 /nfs/dbraw/zinc/59/09/54/808590954.db2.gz AVIFSQSZVAHYAW-DOMZBBRYSA-N 1 1 275.392 3.425 20 10 CGCDMO Cc1cc(C[N@H+]2CCCC[C@]23CCOC3)ccc1N(C)C ZINC001176977698 809772318 /nfs/dbraw/zinc/77/23/18/809772318.db2.gz NLZNOXUROISGKY-GOSISDBHSA-N 1 1 288.435 3.206 20 10 CGCDMO CC(C)C[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(F)cc2O)CCO1 ZINC001180325808 809993344 /nfs/dbraw/zinc/99/33/44/809993344.db2.gz BEHNHUBMCAEOQY-CHWSQXEVSA-N 1 1 299.361 3.354 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC001181214289 810043848 /nfs/dbraw/zinc/04/38/48/810043848.db2.gz USFPMVSPSOLMTP-OAHLLOKOSA-N 1 1 297.345 3.109 20 10 CGCDMO Cc1coc(C[NH2+]Cc2cccc(Br)c2O)c1 ZINC001181464072 810054753 /nfs/dbraw/zinc/05/47/53/810054753.db2.gz IIVPJXYSDNIZAQ-UHFFFAOYSA-N 1 1 296.164 3.346 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC001182273024 810100593 /nfs/dbraw/zinc/10/05/93/810100593.db2.gz ZDCJGZOPWBRAFS-ZBFHGGJFSA-N 1 1 275.392 3.126 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC001183919440 810169594 /nfs/dbraw/zinc/16/95/94/810169594.db2.gz KGPRRUXHDJMBKL-UHFFFAOYSA-N 1 1 297.333 3.007 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001203556419 812390162 /nfs/dbraw/zinc/39/01/62/812390162.db2.gz PJTLBRWYBHMVOL-MRXNPFEDSA-N 1 1 287.334 3.185 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001203549939 812390879 /nfs/dbraw/zinc/39/08/79/812390879.db2.gz DKRHYRXXNCKINB-GFCCVEGCSA-N 1 1 277.261 3.116 20 10 CGCDMO CC1CC([N@@H+](C)Cc2cc(Br)ccc2O)C1 ZINC001203635880 812412080 /nfs/dbraw/zinc/41/20/80/812412080.db2.gz JSXUCPRRDHXTSH-UHFFFAOYSA-N 1 1 284.197 3.385 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)c(O)c1 ZINC001203630367 812412492 /nfs/dbraw/zinc/41/24/92/812412492.db2.gz QYLGQXPEPHJSRE-INIZCTEOSA-N 1 1 284.359 3.133 20 10 CGCDMO O=C1CC[N@@H+](Cc2cc(Cl)ccc2O)[C@@H]2CCCC[C@@H]12 ZINC001203648149 812416029 /nfs/dbraw/zinc/41/60/29/812416029.db2.gz FCLWVJSRWISUNA-ZIAGYGMSSA-N 1 1 293.794 3.379 20 10 CGCDMO O=C1CC[N@H+](Cc2cc(Cl)ccc2O)[C@@H]2CCCC[C@@H]12 ZINC001203648149 812416034 /nfs/dbraw/zinc/41/60/34/812416034.db2.gz FCLWVJSRWISUNA-ZIAGYGMSSA-N 1 1 293.794 3.379 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001203651758 812416210 /nfs/dbraw/zinc/41/62/10/812416210.db2.gz UATVJYVAXSAOOP-IAQYHMDHSA-N 1 1 281.783 3.047 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)cc1 ZINC001203930551 812494574 /nfs/dbraw/zinc/49/45/74/812494574.db2.gz YIAYDIKBOGBNDQ-SJORKVTESA-N 1 1 286.419 3.086 20 10 CGCDMO COCC[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001203934662 812496043 /nfs/dbraw/zinc/49/60/43/812496043.db2.gz YWJDUUZVMPFMBH-QGZVFWFLSA-N 1 1 276.424 3.144 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)cc1 ZINC001203934299 812496270 /nfs/dbraw/zinc/49/62/70/812496270.db2.gz PHRZBTWRCJAMSF-LJQANCHMSA-N 1 1 295.430 3.355 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCc3ccncc3C2)cc1 ZINC001203942432 812497508 /nfs/dbraw/zinc/49/75/08/812497508.db2.gz QJCKPVIKUQYQKI-UHFFFAOYSA-N 1 1 295.430 3.486 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@H](O)C2)c2ccccc21 ZINC001204232772 812580086 /nfs/dbraw/zinc/58/00/86/812580086.db2.gz JGWYDYHJMANFEX-INIZCTEOSA-N 1 1 298.430 3.253 20 10 CGCDMO Oc1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2)c(O)c1 ZINC001204274705 812592410 /nfs/dbraw/zinc/59/24/10/812592410.db2.gz GYZDINTUYQGFTE-INIZCTEOSA-N 1 1 284.359 3.220 20 10 CGCDMO Oc1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)c(O)c1 ZINC001204278904 812594017 /nfs/dbraw/zinc/59/40/17/812594017.db2.gz MMQFPBURUVNLHQ-OAHLLOKOSA-N 1 1 255.317 3.045 20 10 CGCDMO CC[N@@H+](Cc1ccc(O)cc1O)Cc1cccc(F)c1F ZINC001204277248 812594353 /nfs/dbraw/zinc/59/43/53/812594353.db2.gz AHSSVQLIYBVRAX-UHFFFAOYSA-N 1 1 293.313 3.398 20 10 CGCDMO CC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204322224 812613165 /nfs/dbraw/zinc/61/31/65/812613165.db2.gz QCHZNHOWVKPOJN-KRWDZBQOSA-N 1 1 286.419 3.088 20 10 CGCDMO CC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204328297 812614869 /nfs/dbraw/zinc/61/48/69/812614869.db2.gz GHGVJMNNYCIMKT-GOSISDBHSA-N 1 1 286.419 3.230 20 10 CGCDMO COc1cc(C[N@H+]2CCCC3(CCCC3)C2)cc(O)c1O ZINC001204341904 812615922 /nfs/dbraw/zinc/61/59/22/812615922.db2.gz ILASOQLSKBONJU-UHFFFAOYSA-N 1 1 291.391 3.263 20 10 CGCDMO C[NH2+]C[C@H]1CCCN(Cc2cccc(C(C)(C)C)c2O)C1 ZINC001205008434 812823353 /nfs/dbraw/zinc/82/33/53/812823353.db2.gz AOQXSNMZKXITQP-CQSZACIVSA-N 1 1 290.451 3.121 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205093755 812859119 /nfs/dbraw/zinc/85/91/19/812859119.db2.gz FUCIILRMTNBRBA-GOSISDBHSA-N 1 1 297.446 3.407 20 10 CGCDMO CC[N@@H+](Cc1ccncc1)Cc1c(C)cc(OC)cc1O ZINC001205706284 813057979 /nfs/dbraw/zinc/05/79/79/813057979.db2.gz CRAIDGGHJXSSGY-UHFFFAOYSA-N 1 1 286.375 3.126 20 10 CGCDMO C[C@@H]1CC[C@@H](CN)[N@@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001205841831 813104549 /nfs/dbraw/zinc/10/45/49/813104549.db2.gz LJAOBMZBDSQMAA-CJNGLKHVSA-N 1 1 290.451 3.249 20 10 CGCDMO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001205841831 813104551 /nfs/dbraw/zinc/10/45/51/813104551.db2.gz LJAOBMZBDSQMAA-CJNGLKHVSA-N 1 1 290.451 3.249 20 10 CGCDMO C[C@H]1C[NH2+]CCCN1Cc1cccc(-c2ccccc2)c1O ZINC001206262995 813261874 /nfs/dbraw/zinc/26/18/74/813261874.db2.gz KYCADPCKASVROF-HNNXBMFYSA-N 1 1 296.414 3.243 20 10 CGCDMO CN(C)c1cc(F)c(C[NH+]2CC(CC3CC3)C2)cc1F ZINC001206779283 813434881 /nfs/dbraw/zinc/43/48/81/813434881.db2.gz FEFLPIKFLWYTCF-UHFFFAOYSA-N 1 1 280.362 3.263 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C)cc1 ZINC001209516656 814070873 /nfs/dbraw/zinc/07/08/73/814070873.db2.gz LEYKPXCOBVSXJG-CRAIPNDOSA-N 1 1 284.403 3.049 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@H](O)CC[C@H]2C)cc1 ZINC001209516857 814071584 /nfs/dbraw/zinc/07/15/84/814071584.db2.gz QVNPKHCBHIKUHK-AUUYWEPGSA-N 1 1 298.430 3.439 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCCC1=O ZINC001231587540 818129283 /nfs/dbraw/zinc/12/92/83/818129283.db2.gz FCNIYPWEFASTFS-ZDUSSCGKSA-N 1 1 283.371 3.346 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001231587334 818130413 /nfs/dbraw/zinc/13/04/13/818130413.db2.gz AHPIPPWWDPYQGU-HEHGZKQESA-N 1 1 271.335 3.478 20 10 CGCDMO Cc1cccc(C[N@@H+]2CCN(C)[C@@H](c3ccccc3)C2)c1O ZINC001231593907 818131238 /nfs/dbraw/zinc/13/12/38/818131238.db2.gz WQAZIENZHLLUQB-GOSISDBHSA-N 1 1 296.414 3.189 20 10 CGCDMO O=C1CCC[C@H]2C[N@H+](Cc3c(O)ccc4ccccc43)C[C@@H]12 ZINC001231590628 818131987 /nfs/dbraw/zinc/13/19/87/818131987.db2.gz CITMIYAYXJSUMV-GOEBONIOSA-N 1 1 295.382 3.346 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@@H](OCc3ccccc3)C2)c1O ZINC001231593426 818132482 /nfs/dbraw/zinc/13/24/82/818132482.db2.gz XQXDEYFVGFPEHX-GOSISDBHSA-N 1 1 297.398 3.492 20 10 CGCDMO CCc1ccc(C[N@H+](CC)Cc2ccccc2O)nc1 ZINC001231642513 818145052 /nfs/dbraw/zinc/14/50/52/818145052.db2.gz ZVGHDBBIXZBDCW-UHFFFAOYSA-N 1 1 270.376 3.372 20 10 CGCDMO Cc1cc(C)c(C[N@@H+](C)CCc2ccccn2)c(O)c1 ZINC001231842341 818186377 /nfs/dbraw/zinc/18/63/77/818186377.db2.gz QAOYCHUICOBFFA-UHFFFAOYSA-N 1 1 270.376 3.079 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC001231849222 818189063 /nfs/dbraw/zinc/18/90/63/818189063.db2.gz OWBFSORFTPVWGI-LBPRGKRZSA-N 1 1 298.377 3.238 20 10 CGCDMO Oc1c(C[N@H+]2CCCC3(COC3)C2)ccc2ccccc21 ZINC001231879829 818199371 /nfs/dbraw/zinc/19/93/71/818199371.db2.gz RHWPSKHGHPTDQI-UHFFFAOYSA-N 1 1 283.371 3.158 20 10 CGCDMO CC[N@@H+](CCN1CCCC1)Cc1ccc2ccccc2c1O ZINC001231882628 818201406 /nfs/dbraw/zinc/20/14/06/818201406.db2.gz QLQNCHMYQIJCFW-UHFFFAOYSA-N 1 1 298.430 3.463 20 10 CGCDMO CCN(CC[NH+]1CCCC1)Cc1ccc2ccccc2c1O ZINC001231882628 818201409 /nfs/dbraw/zinc/20/14/09/818201409.db2.gz QLQNCHMYQIJCFW-UHFFFAOYSA-N 1 1 298.430 3.463 20 10 CGCDMO O=C1CCC[C@H]2C[N@H+](Cc3ccc4ccccc4c3O)C[C@@H]12 ZINC001231883177 818201816 /nfs/dbraw/zinc/20/18/16/818201816.db2.gz HAUPDBDYVGRNKC-WMLDXEAASA-N 1 1 295.382 3.346 20 10 CGCDMO C[N@@H+](Cc1cccc(Cl)c1[O-])C1CC(F)(F)C1 ZINC001231909199 818210507 /nfs/dbraw/zinc/21/05/07/818210507.db2.gz AVQUSCIKDUVMBK-UHFFFAOYSA-N 1 1 261.699 3.275 20 10 CGCDMO C[N@H+](Cc1ccccc1O)Cc1cc(Cl)cnc1F ZINC001231998649 818227783 /nfs/dbraw/zinc/22/77/83/818227783.db2.gz PDZPXTRKKDAOGL-UHFFFAOYSA-N 1 1 280.730 3.212 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1cc(Cl)cnc1F ZINC001231998649 818227788 /nfs/dbraw/zinc/22/77/88/818227788.db2.gz PDZPXTRKKDAOGL-UHFFFAOYSA-N 1 1 280.730 3.212 20 10 CGCDMO CCCCC[N@@H+](C)Cc1cc(Cl)c(O)cc1O ZINC001232259448 818296427 /nfs/dbraw/zinc/29/64/27/818296427.db2.gz YEDWKNYDCVCNNS-UHFFFAOYSA-N 1 1 257.761 3.373 20 10 CGCDMO CC[C@H]1CCC[N@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232267004 818297937 /nfs/dbraw/zinc/29/79/37/818297937.db2.gz HLPYAJJUCFUTTR-JTQLQIEISA-N 1 1 255.745 3.126 20 10 CGCDMO C[N@H+](Cc1cc(Cl)c(O)cc1O)C[C@@H]1CC1(C)C ZINC001232262442 818298224 /nfs/dbraw/zinc/29/82/24/818298224.db2.gz HUBNKRFBOPJRAG-JTQLQIEISA-N 1 1 269.772 3.229 20 10 CGCDMO CC1(C)C[NH+](Cc2cc(Cl)c(O)cc2O)CC(C)(C)O1 ZINC001232263406 818298688 /nfs/dbraw/zinc/29/86/88/818298688.db2.gz QEXKUHMHFGUCTE-UHFFFAOYSA-N 1 1 299.798 3.141 20 10 CGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1O)CC1CC1 ZINC001232838794 818452970 /nfs/dbraw/zinc/45/29/70/818452970.db2.gz JLPIEWQSIPBRPI-UHFFFAOYSA-N 1 1 262.397 3.079 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC3(CCCC3)C2)c(O)c1 ZINC001232839189 818453097 /nfs/dbraw/zinc/45/30/97/818453097.db2.gz NAGHOKVVEJLPMB-UHFFFAOYSA-N 1 1 274.408 3.224 20 10 CGCDMO [O-]c1c(F)c(F)ccc1CN(Cc1ccco1)C1CC1 ZINC001233079071 818519157 /nfs/dbraw/zinc/51/91/57/818519157.db2.gz TYURQIJWESESHM-UHFFFAOYSA-N 1 1 279.286 3.428 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)ccc2O)CCC[C@H]1O ZINC001233283899 818565695 /nfs/dbraw/zinc/56/56/95/818565695.db2.gz AAJSTIHPAKYYTO-XJKSGUPXSA-N 1 1 291.435 3.283 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@]23CCOC3)c1 ZINC001233286799 818568377 /nfs/dbraw/zinc/56/83/77/818568377.db2.gz IZTHWNFIMUAQCM-QGZVFWFLSA-N 1 1 275.392 3.055 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@@H+]1CCCC(F)(F)CC1 ZINC001233331739 818582576 /nfs/dbraw/zinc/58/25/76/818582576.db2.gz JERDIYZMAJZCRZ-UHFFFAOYSA-N 1 1 277.261 3.292 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@H+]1CCCC(F)(F)CC1 ZINC001233331739 818582581 /nfs/dbraw/zinc/58/25/81/818582581.db2.gz JERDIYZMAJZCRZ-UHFFFAOYSA-N 1 1 277.261 3.292 20 10 CGCDMO C[C@@H]1C[C@@H](C)C[NH+](Cc2c(O)ccc(F)c2F)C1 ZINC001233335020 818586133 /nfs/dbraw/zinc/58/61/33/818586133.db2.gz DQJUYGKGOJUCHS-NXEZZACHSA-N 1 1 255.308 3.148 20 10 CGCDMO C[C@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233451433 818623203 /nfs/dbraw/zinc/62/32/03/818623203.db2.gz KJZMVTUTBUGMAH-VIFPVBQESA-N 1 1 259.271 3.395 20 10 CGCDMO Oc1c(C[NH+]2CC3(CCO3)C2)cccc1-c1ccccc1 ZINC001234997097 818973000 /nfs/dbraw/zinc/97/30/00/818973000.db2.gz SGDAPACKQBLAKP-UHFFFAOYSA-N 1 1 281.355 3.034 20 10 CGCDMO Oc1c(C[N@H+]2CC[C@H]3OCC[C@H]32)cccc1-c1ccccc1 ZINC001235003036 818977152 /nfs/dbraw/zinc/97/71/52/818977152.db2.gz SKMHWNGOTHEVQZ-QZTJIDSGSA-N 1 1 295.382 3.422 20 10 CGCDMO CC(C)[C@@H]1CNCC[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001235456200 819103667 /nfs/dbraw/zinc/10/36/67/819103667.db2.gz JZLJMEBVCBMKFN-INIZCTEOSA-N 1 1 290.451 3.120 20 10 CGCDMO CC(C)[C@@H]1CNCC[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001235456200 819103673 /nfs/dbraw/zinc/10/36/73/819103673.db2.gz JZLJMEBVCBMKFN-INIZCTEOSA-N 1 1 290.451 3.120 20 10 CGCDMO CC(C)(C)c1ccc(C[N@@H+]2CCc3ncncc3C2)c(O)c1 ZINC001235684743 819141692 /nfs/dbraw/zinc/14/16/92/819141692.db2.gz JGWBVLBZENLAIB-UHFFFAOYSA-N 1 1 297.402 3.038 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CCc3ncncc3C2)c(O)c1 ZINC001235684743 819141696 /nfs/dbraw/zinc/14/16/96/819141696.db2.gz JGWBVLBZENLAIB-UHFFFAOYSA-N 1 1 297.402 3.038 20 10 CGCDMO Cc1cc(CN(C)C[C@@H]2CC[NH2+]C2)c(C)n1-c1ccccc1 ZINC001235843176 819184572 /nfs/dbraw/zinc/18/45/72/819184572.db2.gz XCPNHGKHABMNBX-QGZVFWFLSA-N 1 1 297.446 3.135 20 10 CGCDMO CCc1ccc(C[N@H+]2CCOC3(CCCCC3)C2)c(O)c1 ZINC001236791761 819595743 /nfs/dbraw/zinc/59/57/43/819595743.db2.gz KFCZFMVOBSOHSP-UHFFFAOYSA-N 1 1 289.419 3.490 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](F)CC2)c(Cl)c1 ZINC001236797883 819598867 /nfs/dbraw/zinc/59/88/67/819598867.db2.gz JQNUQHUDNAUNOD-SNVBAGLBSA-N 1 1 287.762 3.378 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC[C@H]2c2ccccn2)c(O)c1 ZINC001236812358 819604250 /nfs/dbraw/zinc/60/42/50/819604250.db2.gz CYRWXRUKCMQWTI-KRWDZBQOSA-N 1 1 298.386 3.441 20 10 CGCDMO CCCCC[N@@H+](C)Cc1c(C)cc(OC)cc1O ZINC001236818643 819606276 /nfs/dbraw/zinc/60/62/76/819606276.db2.gz PYUATEAINJZYPU-UHFFFAOYSA-N 1 1 251.370 3.331 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2O)CC[C@@]1(C)O ZINC001236825697 819608343 /nfs/dbraw/zinc/60/83/43/819608343.db2.gz CMJHYLNPASBJNK-FZKQIMNGSA-N 1 1 285.387 3.138 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cc2O)[C@@H]1CO ZINC001236827137 819610205 /nfs/dbraw/zinc/61/02/05/819610205.db2.gz PWJCHAWADCYVMP-CXAGYDPISA-N 1 1 285.387 3.138 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@H+]1CCC[C@H](F)C1 ZINC001236832674 819611402 /nfs/dbraw/zinc/61/14/02/819611402.db2.gz KCHGGNKJXBCVQX-HNNXBMFYSA-N 1 1 259.324 3.479 20 10 CGCDMO CCN(CC)[C@H]1CC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236833160 819613918 /nfs/dbraw/zinc/61/39/18/819613918.db2.gz OTEIOCNRLDBNJB-SFHVURJKSA-N 1 1 298.430 3.462 20 10 CGCDMO CCN(CC)[C@H]1CC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236833160 819613920 /nfs/dbraw/zinc/61/39/20/819613920.db2.gz OTEIOCNRLDBNJB-SFHVURJKSA-N 1 1 298.430 3.462 20 10 CGCDMO CC[N@@H+](C)C1CCN(Cc2cc3ccccc3cc2O)CC1 ZINC001236837650 819616366 /nfs/dbraw/zinc/61/63/66/819616366.db2.gz SKKKYTRSDOHYGA-UHFFFAOYSA-N 1 1 298.430 3.462 20 10 CGCDMO CC(C)[N@@H+](C)[C@@H]1CCN(Cc2cc3ccccc3cc2O)C1 ZINC001236838429 819616654 /nfs/dbraw/zinc/61/66/54/819616654.db2.gz YKDIIYAHTFYPTO-GOSISDBHSA-N 1 1 298.430 3.460 20 10 CGCDMO CC(C)N(C)[C@@H]1CC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236838429 819616658 /nfs/dbraw/zinc/61/66/58/819616658.db2.gz YKDIIYAHTFYPTO-GOSISDBHSA-N 1 1 298.430 3.460 20 10 CGCDMO CC(C)N(C)[C@@H]1CC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236838429 819616662 /nfs/dbraw/zinc/61/66/62/819616662.db2.gz YKDIIYAHTFYPTO-GOSISDBHSA-N 1 1 298.430 3.460 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236921411 819636170 /nfs/dbraw/zinc/63/61/70/819636170.db2.gz GELHSSIUEMBWFO-CYBMUJFWSA-N 1 1 294.826 3.018 20 10 CGCDMO C[C@@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236920492 819636276 /nfs/dbraw/zinc/63/62/76/819636276.db2.gz GYGGJAPJTLTUAG-CYBMUJFWSA-N 1 1 294.826 3.161 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CC[C@H](C)[C@](C)(O)CC2)c(O)c1 ZINC001237047018 819649671 /nfs/dbraw/zinc/64/96/71/819649671.db2.gz YQNBHQDHOOGQJX-KBXCAEBGSA-N 1 1 291.435 3.499 20 10 CGCDMO COC[C@@H]1CCC[N@H+]1Cc1ccc(C(C)C)cc1O ZINC001237046141 819649765 /nfs/dbraw/zinc/64/97/65/819649765.db2.gz QJIFMLDUZYKVNG-HNNXBMFYSA-N 1 1 263.381 3.126 20 10 CGCDMO CC(C)c1ccc(C[N@@H+]2CCC(=O)C[C@H]2C)c(O)c1 ZINC001237044927 819650719 /nfs/dbraw/zinc/65/07/19/819650719.db2.gz FZVFGOYBXWMLNU-GFCCVEGCSA-N 1 1 261.365 3.069 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC(=O)C[C@H]2C)c(O)c1 ZINC001237044927 819650722 /nfs/dbraw/zinc/65/07/22/819650722.db2.gz FZVFGOYBXWMLNU-GFCCVEGCSA-N 1 1 261.365 3.069 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCCO[C@H](C)C2)c(O)c1 ZINC001237046635 819651154 /nfs/dbraw/zinc/65/11/54/819651154.db2.gz UKLNMDMMVLOYJY-CYBMUJFWSA-N 1 1 263.381 3.126 20 10 CGCDMO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1O)CC1CC1 ZINC001237050609 819652155 /nfs/dbraw/zinc/65/21/55/819652155.db2.gz CUUWJSGYHITHNS-UHFFFAOYSA-N 1 1 289.297 3.175 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(O)c1 ZINC001237048160 819652803 /nfs/dbraw/zinc/65/28/03/819652803.db2.gz BCQWGOZLPCKWBC-KKUMJFAQSA-N 1 1 263.356 3.305 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCO[C@H](C(C)C)C2)c(O)c1 ZINC001237056225 819654343 /nfs/dbraw/zinc/65/43/43/819654343.db2.gz VNBFMPJVBDQREA-KRWDZBQOSA-N 1 1 277.408 3.372 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c(O)c1 ZINC001237054777 819655103 /nfs/dbraw/zinc/65/51/03/819655103.db2.gz GTKWJGIBOXRRAP-QKDCVEJESA-N 1 1 263.356 3.163 20 10 CGCDMO CSCC[N@@H+](C)Cc1c(O)cccc1OC(F)(F)F ZINC001237114312 819671497 /nfs/dbraw/zinc/67/14/97/819671497.db2.gz JKGCUJCRVYBKSM-UHFFFAOYSA-N 1 1 295.326 3.086 20 10 CGCDMO C[N@H+](Cc1c(O)ccc(F)c1Cl)CC1CCOCC1 ZINC001237122561 819672763 /nfs/dbraw/zinc/67/27/63/819672763.db2.gz VZSBJIWEBJEMCJ-UHFFFAOYSA-N 1 1 287.762 3.043 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCNC3=CCCC[C@@H]32)c1O ZINC001237229909 819706782 /nfs/dbraw/zinc/70/67/82/819706782.db2.gz QUEZXNQAEQQONY-HNNXBMFYSA-N 1 1 292.810 3.196 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCNC3=CCCC[C@@H]32)c1O ZINC001237229909 819706784 /nfs/dbraw/zinc/70/67/84/819706784.db2.gz QUEZXNQAEQQONY-HNNXBMFYSA-N 1 1 292.810 3.196 20 10 CGCDMO COc1ccc2c(c1)CC[N@H+](Cc1c(C)cccc1O)C2 ZINC001237482357 819760445 /nfs/dbraw/zinc/76/04/45/819760445.db2.gz KNGMIMRTIQCBKY-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCCC[C@@H]1CN1CCCC1 ZINC001237490607 819764324 /nfs/dbraw/zinc/76/43/24/819764324.db2.gz XJYFWBCOLLQFBZ-MRXNPFEDSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1cccc(O)c1CN1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001237490607 819764330 /nfs/dbraw/zinc/76/43/30/819764330.db2.gz XJYFWBCOLLQFBZ-MRXNPFEDSA-N 1 1 288.435 3.151 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@H](C)CC2)c(O)c(OC)c1 ZINC001237670302 819803024 /nfs/dbraw/zinc/80/30/24/819803024.db2.gz SAJXORSZPCRCGN-LBPRGKRZSA-N 1 1 279.380 3.031 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@@H](C)[C@H](C)C2)c(O)c(OC)c1 ZINC001237675640 819804851 /nfs/dbraw/zinc/80/48/51/819804851.db2.gz ZSQWAPFJPMGDIS-CHWSQXEVSA-N 1 1 293.407 3.277 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(CCCO3)C2)c1O ZINC001237680485 819806164 /nfs/dbraw/zinc/80/61/64/819806164.db2.gz CAWGZSVSPCVBDK-HNNXBMFYSA-N 1 1 281.783 3.109 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCCC(=O)[C@H](C)C2)c1O ZINC001237681753 819806792 /nfs/dbraw/zinc/80/67/92/819806792.db2.gz QHRMPYNVZHSZLO-LLVKDONJSA-N 1 1 281.783 3.155 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCCC(=O)[C@H](C)C2)c1O ZINC001237681753 819806796 /nfs/dbraw/zinc/80/67/96/819806796.db2.gz QHRMPYNVZHSZLO-LLVKDONJSA-N 1 1 281.783 3.155 20 10 CGCDMO Cc1cc(Cl)cc(CN2CC[N@H+](C(C)C)[C@@H](C)C2)c1O ZINC001237685409 819807380 /nfs/dbraw/zinc/80/73/80/819807380.db2.gz BBDJKELCYQZQJW-ZDUSSCGKSA-N 1 1 296.842 3.269 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c1O ZINC001237690145 819807731 /nfs/dbraw/zinc/80/77/31/819807731.db2.gz MUCJPKJLLKMIFW-RISCZKNCSA-N 1 1 293.794 3.155 20 10 CGCDMO COC[C@H]1CCCC[N@@H+]1Cc1cc(F)c(Cl)cc1O ZINC001237935835 819886852 /nfs/dbraw/zinc/88/68/52/819886852.db2.gz ZOWCEAHTYDSJNX-LLVKDONJSA-N 1 1 287.762 3.186 20 10 CGCDMO COC[C@H]1CCCC[N@H+]1Cc1cc(F)c(Cl)cc1O ZINC001237935835 819886859 /nfs/dbraw/zinc/88/68/59/819886859.db2.gz ZOWCEAHTYDSJNX-LLVKDONJSA-N 1 1 287.762 3.186 20 10 CGCDMO Cc1cc(F)cc(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)c1O ZINC001238064788 819919875 /nfs/dbraw/zinc/91/98/75/819919875.db2.gz QNVKBGZZZZUYPZ-OCCSQVGLSA-N 1 1 273.298 3.112 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CC[C@](C)(F)[C@H](F)C2)c1O ZINC001238064788 819919883 /nfs/dbraw/zinc/91/98/83/819919883.db2.gz QNVKBGZZZZUYPZ-OCCSQVGLSA-N 1 1 273.298 3.112 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CCCC(F)(F)CC2)c1O ZINC001238057769 819921711 /nfs/dbraw/zinc/92/17/11/819921711.db2.gz MQROYNBSKJIJOQ-UHFFFAOYSA-N 1 1 273.298 3.461 20 10 CGCDMO Cc1cc(F)cc(C[N@@H+](C2CCC2)C2CCOCC2)c1O ZINC001238066270 819922329 /nfs/dbraw/zinc/92/23/29/819922329.db2.gz LMCFLGVTMHWYEE-UHFFFAOYSA-N 1 1 293.382 3.373 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CCc3cccc(O)c3C2)c1O ZINC001238071162 819925518 /nfs/dbraw/zinc/92/55/18/819925518.db2.gz URHPBSIEVQKXPE-UHFFFAOYSA-N 1 1 287.334 3.104 20 10 CGCDMO Cc1ccnc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC001560574927 937214236 /nfs/dbraw/zinc/21/42/36/937214236.db2.gz RNJVHKLVTAJGLX-UHFFFAOYSA-N 1 1 291.345 3.024 20 10 CGCDMO CC[C@@H]1CC[N@@H+](Cc2cc(C)cc(OC)c2O)[C@@H]1C ZINC001462124072 937619307 /nfs/dbraw/zinc/61/93/07/937619307.db2.gz LNQFBXKMKOKXFU-CHWSQXEVSA-N 1 1 263.381 3.330 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCOc3cccc(F)c3C2)c(O)c1 ZINC001462145883 937620558 /nfs/dbraw/zinc/62/05/58/937620558.db2.gz HZQJXDCXPDUNLK-UHFFFAOYSA-N 1 1 287.334 3.234 20 10 CGCDMO Cc1ccc(C[N@H+]2CCOc3cccc(F)c3C2)c(O)c1 ZINC001462145883 937620560 /nfs/dbraw/zinc/62/05/60/937620560.db2.gz HZQJXDCXPDUNLK-UHFFFAOYSA-N 1 1 287.334 3.234 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC(C)(C)CC[C@H]2CO)cc1Cl ZINC001462531202 937647767 /nfs/dbraw/zinc/64/77/67/937647767.db2.gz CXXOLQJLKABBIH-ZDUSSCGKSA-N 1 1 297.826 3.337 20 10 CGCDMO CCc1cccc(C[N@H+](C)Cc2csnc2OC)c1O ZINC001462608841 937653840 /nfs/dbraw/zinc/65/38/40/937653840.db2.gz JZOZPQBOGHNPGA-UHFFFAOYSA-N 1 1 292.404 3.052 20 10 CGCDMO CCc1cccc(C[N@@H+](C)Cc2csnc2OC)c1O ZINC001462608841 937653842 /nfs/dbraw/zinc/65/38/42/937653842.db2.gz JZOZPQBOGHNPGA-UHFFFAOYSA-N 1 1 292.404 3.052 20 10 CGCDMO Cc1ccc(NCc2cc(F)cc(F)c2O)c(N(C)C)[nH+]1 ZINC001308356549 933100208 /nfs/dbraw/zinc/10/02/08/933100208.db2.gz GKYIEEDFQSZQRD-UHFFFAOYSA-N 1 1 293.317 3.052 20 10 CGCDMO Oc1cc(Cl)ccc1C[NH2+]Cc1ncc(Cl)s1 ZINC001308926681 933206029 /nfs/dbraw/zinc/20/60/29/933206029.db2.gz ALUTUFKWWPFMTC-UHFFFAOYSA-N 1 1 289.187 3.445 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC001474708672 933698822 /nfs/dbraw/zinc/69/88/22/933698822.db2.gz ZQTFFQLXOWOQDR-PWSUYJOCSA-N 1 1 267.319 3.196 20 10 CGCDMO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1c(O)cccc1F ZINC001474716334 933703656 /nfs/dbraw/zinc/70/36/56/933703656.db2.gz JXCQLFBNHAIEHQ-MFKMUULPSA-N 1 1 251.345 3.446 20 10 CGCDMO C[N@@H+](Cc1ccc(N)cc1)[C@@H]1CCc2ccccc21 ZINC001336117963 936176817 /nfs/dbraw/zinc/17/68/17/936176817.db2.gz RURYIPFWDBPUMU-QGZVFWFLSA-N 1 1 252.361 3.388 20 10 CGCDMO CC(C)(C[NH2+]Cc1cc(F)c(F)cc1O)C1(O)CCCC1 ZINC001474582031 937868242 /nfs/dbraw/zinc/86/82/42/937868242.db2.gz SBPAYGPRJDWING-UHFFFAOYSA-N 1 1 299.361 3.091 20 10 CGCDMO COc1ccsc1CNc1ccc2c(c1)[nH+]cn2C ZINC001560379187 938256222 /nfs/dbraw/zinc/25/62/22/938256222.db2.gz QZHWBVNIIDJSBJ-UHFFFAOYSA-N 1 1 273.361 3.256 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H](C)[C@@H]2C)c1O ZINC001560629382 938266880 /nfs/dbraw/zinc/26/68/80/938266880.db2.gz NYUCSORSZXJVAN-STQMWFEESA-N 1 1 263.381 3.330 20 10 CGCDMO CS[C@@H]1CCCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001560641107 938267672 /nfs/dbraw/zinc/26/76/72/938267672.db2.gz SYDJEGSLYOLMKM-LLVKDONJSA-N 1 1 287.375 3.388 20 10 CGCDMO CS[C@@H]1CCCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001560641107 938267673 /nfs/dbraw/zinc/26/76/73/938267673.db2.gz SYDJEGSLYOLMKM-LLVKDONJSA-N 1 1 287.375 3.388 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCN(C)CC2(C)C)c1 ZINC001560645344 938267732 /nfs/dbraw/zinc/26/77/32/938267732.db2.gz QKEWCFLJKHWZHV-UHFFFAOYSA-N 1 1 276.424 3.042 20 10 CGCDMO CC(C)c1ccc(O)c(CN2CC[N@H+](C)CC2(C)C)c1 ZINC001560645344 938267733 /nfs/dbraw/zinc/26/77/33/938267733.db2.gz QKEWCFLJKHWZHV-UHFFFAOYSA-N 1 1 276.424 3.042 20 10 CGCDMO CC(C)c1ccc(O)c(CN2CC[N@@H+](C)CC2(C)C)c1 ZINC001560645344 938267734 /nfs/dbraw/zinc/26/77/34/938267734.db2.gz QKEWCFLJKHWZHV-UHFFFAOYSA-N 1 1 276.424 3.042 20 10 CGCDMO CC1(C)CC(C[NH2+]Cc2cc(F)c(F)cc2O)C1 ZINC001560763550 938274673 /nfs/dbraw/zinc/27/46/73/938274673.db2.gz BNYAGDCFXHDKKZ-UHFFFAOYSA-N 1 1 255.308 3.196 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC001560900137 938282743 /nfs/dbraw/zinc/28/27/43/938282743.db2.gz LYRFDMPLQRJOIN-CQSZACIVSA-N 1 1 281.783 3.047 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC001560900137 938282744 /nfs/dbraw/zinc/28/27/44/938282744.db2.gz LYRFDMPLQRJOIN-CQSZACIVSA-N 1 1 281.783 3.047 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]Cc1ccnn1-c1ccccc1 ZINC001561015953 938289748 /nfs/dbraw/zinc/28/97/48/938289748.db2.gz LECWDYHYKCATIU-UHFFFAOYSA-N 1 1 297.333 3.007 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2c2ccnn2C)cc1 ZINC000281260916 282289734 /nfs/dbraw/zinc/28/97/34/282289734.db2.gz NDINLJRPSPHHIQ-GOSISDBHSA-N 1 1 298.434 3.213 20 10 CGCDMO CCCN(CCC)c1ccc(C[N@H+]2CC[C@H](CO)C2)cc1 ZINC000092764551 345858357 /nfs/dbraw/zinc/85/83/57/345858357.db2.gz CZHQHWOZIKXGBR-KRWDZBQOSA-N 1 1 290.451 3.127 20 10 CGCDMO C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)CC(F)F ZINC000708516668 799989725 /nfs/dbraw/zinc/98/97/25/799989725.db2.gz JVJCNBZHXAOEMT-SSDOTTSWSA-N 1 1 265.250 3.051 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@H](N2CCCC2)C1 ZINC000066081028 369688741 /nfs/dbraw/zinc/68/87/41/369688741.db2.gz QEHSPMDLXPEJNM-INIZCTEOSA-N 1 1 296.414 3.216 20 10 CGCDMO Oc1ccc2ccccc2c1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000066081028 369688745 /nfs/dbraw/zinc/68/87/45/369688745.db2.gz QEHSPMDLXPEJNM-INIZCTEOSA-N 1 1 296.414 3.216 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@@H](O)c1ccccc1Cl ZINC000111235615 370395063 /nfs/dbraw/zinc/39/50/63/370395063.db2.gz HVDMFHXPKISJQM-MRXNPFEDSA-N 1 1 291.778 3.211 20 10 CGCDMO CCOc1ccccc1C[N@@H+](C)Cc1ccccc1O ZINC000111235741 370395342 /nfs/dbraw/zinc/39/53/42/370395342.db2.gz LYDFRSNIPFXRSN-UHFFFAOYSA-N 1 1 271.360 3.423 20 10 CGCDMO C[N@@H+](CCF)Cc1ccc(OCc2ccccc2)cc1O ZINC000293778000 372479337 /nfs/dbraw/zinc/47/93/37/372479337.db2.gz YZLXWQWUSMFQJV-UHFFFAOYSA-N 1 1 289.350 3.373 20 10 CGCDMO Cc1nnc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(C)c2)s1 ZINC000294680726 372668550 /nfs/dbraw/zinc/66/85/50/372668550.db2.gz SOEIZNDAWJAWGH-NSHDSACASA-N 1 1 290.436 3.072 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000180483326 374014273 /nfs/dbraw/zinc/01/42/73/374014273.db2.gz ZRTSSQOKSFZBOJ-HOCLYGCPSA-N 1 1 293.432 3.261 20 10 CGCDMO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000479435672 375150970 /nfs/dbraw/zinc/15/09/70/375150970.db2.gz GSFPXCNEXMQHBB-GRDNDAEWSA-N 1 1 299.462 3.305 20 10 CGCDMO Cc1c2ccccc2n(C)c1CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000479435672 375150979 /nfs/dbraw/zinc/15/09/79/375150979.db2.gz GSFPXCNEXMQHBB-GRDNDAEWSA-N 1 1 299.462 3.305 20 10 CGCDMO Cc1c2ccccc2n(C)c1CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000479435672 375150989 /nfs/dbraw/zinc/15/09/89/375150989.db2.gz GSFPXCNEXMQHBB-GRDNDAEWSA-N 1 1 299.462 3.305 20 10 CGCDMO C[C@@H](O)CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000192866931 375796734 /nfs/dbraw/zinc/79/67/34/375796734.db2.gz SDIXGEGARDYZAY-HTQZYQBOSA-N 1 1 278.179 3.121 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1C ZINC000179803445 542203508 /nfs/dbraw/zinc/20/35/08/542203508.db2.gz VBMCUNLHUQHQJW-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)CCN(C)C)cc1 ZINC000269033505 378176995 /nfs/dbraw/zinc/17/69/95/378176995.db2.gz SFAJEQIKNFQKQN-GJZGRUSLSA-N 1 1 277.456 3.134 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000271361011 378489273 /nfs/dbraw/zinc/48/92/73/378489273.db2.gz NFYXPLLMCGDSOJ-USXIJHARSA-N 1 1 289.419 3.418 20 10 CGCDMO COCC[C@H]([NH2+]Cc1cccc(F)c1O)c1ccc(C)o1 ZINC000272667250 378686093 /nfs/dbraw/zinc/68/60/93/378686093.db2.gz SJDBVRNRPGPNIV-AWEZNQCLSA-N 1 1 293.338 3.300 20 10 CGCDMO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(C)c(C)c2O)n[nH]1 ZINC000273354490 378742298 /nfs/dbraw/zinc/74/22/98/378742298.db2.gz CJILGRNWOCHUDT-FZMZJTMJSA-N 1 1 287.407 3.322 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cccs2)c1 ZINC000273389120 378743490 /nfs/dbraw/zinc/74/34/90/378743490.db2.gz KHIOBMBUIWULBW-SNVBAGLBSA-N 1 1 291.372 3.091 20 10 CGCDMO CCCC[N@@H+](CCC(C)(C)O)Cc1ccccc1O ZINC000282486807 379930906 /nfs/dbraw/zinc/93/09/06/379930906.db2.gz PIKRGADPINKDOW-UHFFFAOYSA-N 1 1 265.397 3.155 20 10 CGCDMO C[C@@]12CC[N@@H+](Cc3ccccc3O)C[C@@H]1C2(Cl)Cl ZINC000284339203 380139502 /nfs/dbraw/zinc/13/95/02/380139502.db2.gz LMNMWLWSUYKLRH-QWHCGFSZSA-N 1 1 286.202 3.408 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(F)cc1O ZINC000285532762 380150871 /nfs/dbraw/zinc/15/08/71/380150871.db2.gz FOOBYXNTKIZUDO-NVXWUHKLSA-N 1 1 289.350 3.306 20 10 CGCDMO CC[N@@H+](CCc1nccs1)Cc1cc(C)ccc1O ZINC000093764662 392239398 /nfs/dbraw/zinc/23/93/98/392239398.db2.gz XYFALPJCOYFXNV-UHFFFAOYSA-N 1 1 276.405 3.222 20 10 CGCDMO COc1cccc(C[N@@H+]2CCC[C@@H]2c2nccs2)c1O ZINC000374303778 392675568 /nfs/dbraw/zinc/67/55/68/392675568.db2.gz WZDIVSNIHBUBPT-GFCCVEGCSA-N 1 1 290.388 3.194 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@@H]2c2nccs2)c1O ZINC000374303778 392675580 /nfs/dbraw/zinc/67/55/80/392675580.db2.gz WZDIVSNIHBUBPT-GFCCVEGCSA-N 1 1 290.388 3.194 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](C)CC2)cc1OC ZINC000179441491 392702138 /nfs/dbraw/zinc/70/21/38/392702138.db2.gz TWZMVUDBRSQNOY-LBPRGKRZSA-N 1 1 279.380 3.031 20 10 CGCDMO Oc1ccccc1C[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000179568638 392703963 /nfs/dbraw/zinc/70/39/63/392703963.db2.gz BLGQEIOCQQWUBM-KRWDZBQOSA-N 1 1 287.334 3.105 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000179568638 392703968 /nfs/dbraw/zinc/70/39/68/392703968.db2.gz BLGQEIOCQQWUBM-KRWDZBQOSA-N 1 1 287.334 3.105 20 10 CGCDMO Cn1nccc1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000155240521 261099399 /nfs/dbraw/zinc/09/93/99/261099399.db2.gz PYHVEXOENJZAAM-UHFFFAOYSA-N 1 1 298.434 3.042 20 10 CGCDMO Cn1nccc1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000155240521 261099400 /nfs/dbraw/zinc/09/94/00/261099400.db2.gz PYHVEXOENJZAAM-UHFFFAOYSA-N 1 1 298.434 3.042 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2cc(C)ccc2O)cc1 ZINC000159867364 261196665 /nfs/dbraw/zinc/19/66/65/261196665.db2.gz JBLYQCLUBSRKIR-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)Cc2ccc(C)o2)c1O ZINC000160856229 261229302 /nfs/dbraw/zinc/22/93/02/261229302.db2.gz UOOPLVDBGPZLOT-UHFFFAOYSA-N 1 1 275.348 3.324 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(F)cc1O ZINC000184944496 262035126 /nfs/dbraw/zinc/03/51/26/262035126.db2.gz QECMIIFZNDSZLA-QLJPJBMISA-N 1 1 293.313 3.055 20 10 CGCDMO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000185074828 262039794 /nfs/dbraw/zinc/03/97/94/262039794.db2.gz IYAWFKSCSGFYQM-AWEZNQCLSA-N 1 1 288.435 3.226 20 10 CGCDMO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)n[nH]1 ZINC000186131362 262080750 /nfs/dbraw/zinc/08/07/50/262080750.db2.gz MWYSUFZOIISSQF-YPMHNXCESA-N 1 1 273.380 3.014 20 10 CGCDMO CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000186174605 262082440 /nfs/dbraw/zinc/08/24/40/262082440.db2.gz PYCIWTLVJFVNDS-NHYWBVRUSA-N 1 1 283.387 3.225 20 10 CGCDMO CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000186174640 262082769 /nfs/dbraw/zinc/08/27/69/262082769.db2.gz PYCIWTLVJFVNDS-ABAIWWIYSA-N 1 1 283.387 3.225 20 10 CGCDMO CC[N@H+](Cc1cc(Cl)cc(OC)c1O)C[C@@H]1CCCO1 ZINC000184683364 262291538 /nfs/dbraw/zinc/29/15/38/262291538.db2.gz YNCUGCQXPGMHRG-ZDUSSCGKSA-N 1 1 299.798 3.055 20 10 CGCDMO Cc1cccc(N[C@H](C)c2ccc(N3CCOCC3)cc2)[nH+]1 ZINC000129217426 264321058 /nfs/dbraw/zinc/32/10/58/264321058.db2.gz WEESNASEUJUIQO-OAHLLOKOSA-N 1 1 297.402 3.400 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000377243856 268059011 /nfs/dbraw/zinc/05/90/11/268059011.db2.gz KEYARRKIEKSKHA-CQSZACIVSA-N 1 1 283.799 3.355 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(F)cc1O ZINC000285508081 328247907 /nfs/dbraw/zinc/24/79/07/328247907.db2.gz AMCSMORKNJVGIX-WHOFXGATSA-N 1 1 281.371 3.123 20 10 CGCDMO C[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1ccc(F)cc1O ZINC000368651631 328939608 /nfs/dbraw/zinc/93/96/08/328939608.db2.gz HUBGKBFDXGVISS-MZPVMMEZSA-N 1 1 293.382 3.387 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](C3CCOCC3)C2)cc1 ZINC000378339083 329046665 /nfs/dbraw/zinc/04/66/65/329046665.db2.gz DMDDRXMCXGTDGP-KRWDZBQOSA-N 1 1 288.435 3.001 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c1O ZINC000378624234 329056895 /nfs/dbraw/zinc/05/68/95/329056895.db2.gz MYOWYYSIGMYKGJ-MRXNPFEDSA-N 1 1 282.387 3.160 20 10 CGCDMO Cc1cnc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)s1 ZINC000134912742 334108165 /nfs/dbraw/zinc/10/81/65/334108165.db2.gz IMILHBOWRDGRGI-LLVKDONJSA-N 1 1 274.389 3.237 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(F)cc1O ZINC000286277742 522922247 /nfs/dbraw/zinc/92/22/47/522922247.db2.gz VQJKVKVRKGBJEL-CVEARBPZSA-N 1 1 289.350 3.306 20 10 CGCDMO CC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278214697 523029851 /nfs/dbraw/zinc/02/98/51/523029851.db2.gz KRGQBDFWYLIUIY-LBPRGKRZSA-N 1 1 294.351 3.074 20 10 CGCDMO CC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278214697 523029859 /nfs/dbraw/zinc/02/98/59/523029859.db2.gz KRGQBDFWYLIUIY-LBPRGKRZSA-N 1 1 294.351 3.074 20 10 CGCDMO C[N@@H+](Cc1c([O-])ccc2ccccc21)CC1CC[NH+](C)CC1 ZINC000103462122 523156682 /nfs/dbraw/zinc/15/66/82/523156682.db2.gz YSEIZUAONLQOBO-UHFFFAOYSA-N 1 1 298.430 3.319 20 10 CGCDMO C[N@H+](Cc1c([O-])ccc2ccccc21)CC1CC[NH+](C)CC1 ZINC000103462122 523156694 /nfs/dbraw/zinc/15/66/94/523156694.db2.gz YSEIZUAONLQOBO-UHFFFAOYSA-N 1 1 298.430 3.319 20 10 CGCDMO C[N@@H+](Cc1ccc(C(F)(F)F)cn1)Cc1ccccc1O ZINC000277842991 523215541 /nfs/dbraw/zinc/21/55/41/523215541.db2.gz WZPZXBCMVDYYLY-UHFFFAOYSA-N 1 1 296.292 3.438 20 10 CGCDMO Cc1cccc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1O ZINC000291669407 524385680 /nfs/dbraw/zinc/38/56/80/524385680.db2.gz WETPVVNYGRWESL-GDBMZVCRSA-N 1 1 275.392 3.090 20 10 CGCDMO Cc1cc(C[N@@H+](C)CCC2CCOCC2)ccc1N(C)C ZINC000292893831 524660360 /nfs/dbraw/zinc/66/03/60/524660360.db2.gz VJGQZWHPXSYHHK-UHFFFAOYSA-N 1 1 290.451 3.310 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@](C)(O)CC2)c1O ZINC000279644465 524863956 /nfs/dbraw/zinc/86/39/56/524863956.db2.gz JRXDWTRYVKELFD-HNNXBMFYSA-N 1 1 283.799 3.091 20 10 CGCDMO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cccc(Cl)c1O ZINC000289905116 525107627 /nfs/dbraw/zinc/10/76/27/525107627.db2.gz URCGLLJVKQUDQB-SWLSCSKDSA-N 1 1 294.826 3.104 20 10 CGCDMO Cc1ccc(O)c([C@H](C)NCC[N@H+](C)C2CCCC2)c1 ZINC000071376873 525361569 /nfs/dbraw/zinc/36/15/69/525361569.db2.gz XPJKQIBRWFXMFF-AWEZNQCLSA-N 1 1 276.424 3.226 20 10 CGCDMO Cc1ccc(O)c([C@H](C)NCC[N@@H+](C)C2CCCC2)c1 ZINC000071376873 525361575 /nfs/dbraw/zinc/36/15/75/525361575.db2.gz XPJKQIBRWFXMFF-AWEZNQCLSA-N 1 1 276.424 3.226 20 10 CGCDMO C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(F)cc1O ZINC000062744990 525411118 /nfs/dbraw/zinc/41/11/18/525411118.db2.gz VNYZMEMQFCCXHV-SMDDNHRTSA-N 1 1 292.354 3.078 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1O ZINC000127381792 525943117 /nfs/dbraw/zinc/94/31/17/525943117.db2.gz PHKCMDJDUVHSFE-AWEZNQCLSA-N 1 1 272.348 3.066 20 10 CGCDMO Oc1ccc(F)cc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000290293029 526346696 /nfs/dbraw/zinc/34/66/96/526346696.db2.gz ANNVUZHYLLHDOS-UHFFFAOYSA-N 1 1 272.323 3.091 20 10 CGCDMO CN(C)c1ccc(C[NH2+]Cc2ccc3nc[nH]c3c2)cc1F ZINC000727468213 571747910 /nfs/dbraw/zinc/74/79/10/571747910.db2.gz GVLRLSHIRGVRFR-UHFFFAOYSA-N 1 1 298.365 3.058 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2C2CCC2)c1O ZINC000750823306 572328941 /nfs/dbraw/zinc/32/89/41/572328941.db2.gz QENBQXAXWRMQST-MRXNPFEDSA-N 1 1 291.366 3.498 20 10 CGCDMO CC[N@H+](Cc1c(O)ccc2ccccc21)C[C@H]1CCOC1 ZINC000738081478 572364763 /nfs/dbraw/zinc/36/47/63/572364763.db2.gz LBBRCHTXSUKKJV-CQSZACIVSA-N 1 1 285.387 3.404 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)C[Si](C)(C)C ZINC000731212792 572402161 /nfs/dbraw/zinc/40/21/61/572402161.db2.gz SXUHTVVKZOOMAF-UHFFFAOYSA-N 1 1 251.446 3.482 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)Cc2cc[nH]n2)cc1C(C)C ZINC000732667885 572477356 /nfs/dbraw/zinc/47/73/56/572477356.db2.gz ICOBTNYDAYPZTN-UHFFFAOYSA-N 1 1 273.380 3.179 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2cc[nH]n2)cc1C(C)C ZINC000732667885 572477358 /nfs/dbraw/zinc/47/73/58/572477358.db2.gz ICOBTNYDAYPZTN-UHFFFAOYSA-N 1 1 273.380 3.179 20 10 CGCDMO COc1cc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)c(O)cc1C ZINC000160218584 617620527 /nfs/dbraw/zinc/62/05/27/617620527.db2.gz PLFVIFAKGXEPJP-RYUDHWBXSA-N 1 1 281.421 3.035 20 10 CGCDMO CCOCC[N@@H+](C)Cc1cc(C(C)C)c(C)cc1O ZINC000092885227 618223572 /nfs/dbraw/zinc/22/35/72/618223572.db2.gz GKWPKWQTTNJFHX-UHFFFAOYSA-N 1 1 265.397 3.292 20 10 CGCDMO C[N@@H+](Cc1cnn(CC2CCC2)c1)Cc1ccccc1O ZINC000891713441 618255018 /nfs/dbraw/zinc/25/50/18/618255018.db2.gz DUWJVHQLFLZUTD-UHFFFAOYSA-N 1 1 285.391 3.021 20 10 CGCDMO C[C@@H]([NH2+]Cc1nccn1C(F)F)c1ccc(N(C)C)cc1 ZINC000162226541 618747172 /nfs/dbraw/zinc/74/71/72/618747172.db2.gz IONNFXGHVFBAPA-LLVKDONJSA-N 1 1 294.349 3.195 20 10 CGCDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2O)C1(C)C ZINC000179560803 618795018 /nfs/dbraw/zinc/79/50/18/618795018.db2.gz KECXUVKSZMOZSY-LSDHHAIUSA-N 1 1 263.381 3.028 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(C)c(C)cc2O)C[C@@H](C)O1 ZINC000247735300 618857554 /nfs/dbraw/zinc/85/75/54/618857554.db2.gz VORMVXCREQSOSP-HIFRSBDPSA-N 1 1 263.381 3.008 20 10 CGCDMO C[C@H]1SCC[N@@H+](Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000093499410 619201373 /nfs/dbraw/zinc/20/13/73/619201373.db2.gz UQOFWMXBGVGONE-QWHCGFSZSA-N 1 1 264.438 3.078 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)Cc2cnccc2C)c1O ZINC000894621323 619589117 /nfs/dbraw/zinc/58/91/17/619589117.db2.gz HAZQAEKZRANUOU-UHFFFAOYSA-N 1 1 286.375 3.045 20 10 CGCDMO CS[C@@H]1CCC[C@H]([NH2+]Cc2c(O)cccc2F)C1 ZINC000896640060 620041600 /nfs/dbraw/zinc/04/16/00/620041600.db2.gz OQHCHSXGHVXNPT-WDEREUQCSA-N 1 1 269.385 3.295 20 10 CGCDMO COC[C@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1ccc(C)o1 ZINC000185630326 625399946 /nfs/dbraw/zinc/39/99/46/625399946.db2.gz HTXXKEHXHOIZLN-RISCZKNCSA-N 1 1 293.338 3.471 20 10 CGCDMO COc1cccc(CNc2ccc(C3CC3)c[nH+]2)c1O ZINC000897711686 620420869 /nfs/dbraw/zinc/42/08/69/620420869.db2.gz GKQGXEGUYQXOFP-UHFFFAOYSA-N 1 1 270.332 3.285 20 10 CGCDMO COc1ccc(O)c(CNc2ccc(C3CC3)c[nH+]2)c1 ZINC000897711588 620420931 /nfs/dbraw/zinc/42/09/31/620420931.db2.gz DXMBFKFYUAAVFW-UHFFFAOYSA-N 1 1 270.332 3.285 20 10 CGCDMO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000902634849 621389911 /nfs/dbraw/zinc/38/99/11/621389911.db2.gz UDIJLUSQNGPHHY-HIFRSBDPSA-N 1 1 293.407 3.005 20 10 CGCDMO Cc1ccc(O)c([C@H](C)NCc2cc(N(C)C)cc[nH+]2)c1 ZINC000903198410 621623231 /nfs/dbraw/zinc/62/32/31/621623231.db2.gz KTZLWSSPDZMEPZ-ZDUSSCGKSA-N 1 1 285.391 3.012 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](CCO)C2CCCC2)cc1 ZINC000768139296 625527214 /nfs/dbraw/zinc/52/72/14/625527214.db2.gz YSWPKZLCXWPBBA-UHFFFAOYSA-N 1 1 290.451 3.270 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]3C[C@H]3C2)c(Cl)c1 ZINC000827506874 623465290 /nfs/dbraw/zinc/46/52/90/623465290.db2.gz NBQONQCNNFPDDQ-QWRGUYRKSA-N 1 1 251.757 3.196 20 10 CGCDMO CC[C@H](CN[C@@H](C)c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000151671276 623556585 /nfs/dbraw/zinc/55/65/85/623556585.db2.gz SYSYBRMROLJYDE-DOTOQJQBSA-N 1 1 289.467 3.278 20 10 CGCDMO COc1ccc(N2CCC[N@@H+](CC3CCCC3)CC2)cc1 ZINC000917087809 624237304 /nfs/dbraw/zinc/23/73/04/624237304.db2.gz IHDQQQMLVBGULS-UHFFFAOYSA-N 1 1 288.435 3.398 20 10 CGCDMO COCC[N@@H+](CCCc1ccccc1)Cc1ccccc1O ZINC000179564074 624665677 /nfs/dbraw/zinc/66/56/77/624665677.db2.gz XKVTVHFJURCJNU-UHFFFAOYSA-N 1 1 299.414 3.473 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2cc(F)ccc2O)cc1 ZINC000179883449 624694687 /nfs/dbraw/zinc/69/46/87/624694687.db2.gz WSMNQOPVMQVNTH-UHFFFAOYSA-N 1 1 259.324 3.472 20 10 CGCDMO CCC[C@H](C)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000756340713 625875407 /nfs/dbraw/zinc/87/54/07/625875407.db2.gz LILBMFYLUVDCEL-WDEREUQCSA-N 1 1 265.353 3.018 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1CCCC2(CCC2)O1 ZINC000922813804 626048558 /nfs/dbraw/zinc/04/85/58/626048558.db2.gz USDWLUUOJHEEJH-CYBMUJFWSA-N 1 1 297.345 3.252 20 10 CGCDMO CCC[N@@H+](CCn1cc(Cl)cn1)Cc1ccccc1O ZINC000838859588 626270672 /nfs/dbraw/zinc/27/06/72/626270672.db2.gz MQDYIYJMYJLCFR-UHFFFAOYSA-N 1 1 293.798 3.154 20 10 CGCDMO CO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C12CCC2 ZINC000839180766 626326170 /nfs/dbraw/zinc/32/61/70/626326170.db2.gz WIGRSAWDPJOVIG-ZIAGYGMSSA-N 1 1 299.773 3.232 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)C[C@H]1C ZINC000751930828 626412268 /nfs/dbraw/zinc/41/22/68/626412268.db2.gz UXDCTYAQDLZEQA-TXEJJXNPSA-N 1 1 256.349 3.028 20 10 CGCDMO CCc1cc(C[N@H+]2CC[C@@H](OC)C2)c(O)c(C(C)(C)C)c1 ZINC000751943785 626412566 /nfs/dbraw/zinc/41/25/66/626412566.db2.gz LVGQMERMXWHXHD-OAHLLOKOSA-N 1 1 291.435 3.473 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)Cc2ccc(F)cc2C)c1 ZINC000754153994 626561356 /nfs/dbraw/zinc/56/13/56/626561356.db2.gz LRDBXKWGGSNDBJ-UHFFFAOYSA-N 1 1 289.350 3.480 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCCCC[C@@H]2C)c1O ZINC000754741750 626586018 /nfs/dbraw/zinc/58/60/18/626586018.db2.gz NDBSBMRABNOBHD-ZDUSSCGKSA-N 1 1 263.381 3.474 20 10 CGCDMO CC[NH+](CC)CCCN[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756339600 626693195 /nfs/dbraw/zinc/69/31/95/626693195.db2.gz CTIIICDFXBJKFQ-TZMCWYRMSA-N 1 1 294.414 3.401 20 10 CGCDMO CC[NH+](CC)C[C@H](C)N[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756536409 626713461 /nfs/dbraw/zinc/71/34/61/626713461.db2.gz VKAUFONCDBLXJZ-OBJOEFQTSA-N 1 1 294.414 3.400 20 10 CGCDMO C[C@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)c2c1c(F)ccc2[O-] ZINC000756546871 626714105 /nfs/dbraw/zinc/71/41/05/626714105.db2.gz TZLJTFGEHAYXNZ-FZMZJTMJSA-N 1 1 292.398 3.011 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CC[C@H](C)CC2)c1 ZINC000756706361 626727115 /nfs/dbraw/zinc/72/71/15/626727115.db2.gz MNCGUBUYSSNDGJ-OBJOEFQTSA-N 1 1 291.391 3.408 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]3COCC[C@@H]32)cc1C ZINC000756880031 626738994 /nfs/dbraw/zinc/73/89/94/626738994.db2.gz DXYUYZLPXJVVIZ-HOCLYGCPSA-N 1 1 275.392 3.010 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCOC(C)(C)[C@H]2C)cc1C ZINC000763214686 627145560 /nfs/dbraw/zinc/14/55/60/627145560.db2.gz ZAUIRKWSXPYRGG-CYBMUJFWSA-N 1 1 263.381 3.008 20 10 CGCDMO CCCN(CC[NH+](CC)CC)Cc1cccc(F)c1O ZINC000764678938 627218269 /nfs/dbraw/zinc/21/82/69/627218269.db2.gz VVHSKSIVRXHXPL-UHFFFAOYSA-N 1 1 282.403 3.085 20 10 CGCDMO c1[nH]nc2c1CCC[C@@H]2[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000765280958 627244962 /nfs/dbraw/zinc/24/49/62/627244962.db2.gz MZTNEPFGOVBHPI-KRWDZBQOSA-N 1 1 296.418 3.177 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C[C@H]1C ZINC000766375150 627324077 /nfs/dbraw/zinc/32/40/77/627324077.db2.gz RMJZWWZWNZJPLE-QWHCGFSZSA-N 1 1 270.376 3.418 20 10 CGCDMO C[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000768143535 627462998 /nfs/dbraw/zinc/46/29/98/627462998.db2.gz LMTBXVTZECEXAG-LBPRGKRZSA-N 1 1 250.361 3.266 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2cc(C)ccc2O)cc1F ZINC000768198673 627467828 /nfs/dbraw/zinc/46/78/28/627467828.db2.gz CQHKJZNNUCMRDT-UHFFFAOYSA-N 1 1 289.350 3.480 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](Cc1ccc(C)o1)C1CC1 ZINC000768264443 627471879 /nfs/dbraw/zinc/47/18/79/627471879.db2.gz PERIGWAASYIPLY-UHFFFAOYSA-N 1 1 287.359 3.467 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)[C@H](C)C(C)(C)C)cc1OC ZINC000768442408 627480502 /nfs/dbraw/zinc/48/05/02/627480502.db2.gz UWXWWLRQQYYVCX-LLVKDONJSA-N 1 1 281.396 3.276 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2C(C)C)cc1OC ZINC000768444808 627480627 /nfs/dbraw/zinc/48/06/27/627480627.db2.gz YMIPFWHPXBKLLR-ZDUSSCGKSA-N 1 1 279.380 3.030 20 10 CGCDMO CCn1cc(C[N@@H+](C)Cc2cc3c(cc2O)CCCC3)cn1 ZINC000768447123 627480819 /nfs/dbraw/zinc/48/08/19/627480819.db2.gz MLSIZVUFGRMBQL-UHFFFAOYSA-N 1 1 299.418 3.119 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)cc1 ZINC000768537118 627485164 /nfs/dbraw/zinc/48/51/64/627485164.db2.gz MNGXCONBYSOTOP-HUUCEWRRSA-N 1 1 276.424 3.142 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)Cc2ccccc2O)c(O)c1 ZINC000768874051 627505414 /nfs/dbraw/zinc/50/54/14/627505414.db2.gz ZKKASMWAONJBFW-UHFFFAOYSA-N 1 1 287.359 3.129 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)CCc1ccc(F)cc1 ZINC000768921493 627509150 /nfs/dbraw/zinc/50/91/50/627509150.db2.gz XSFWMJHFMPDVHN-UHFFFAOYSA-N 1 1 289.350 3.214 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCOc3ccccc3C2)c(O)c1 ZINC000768940969 627510795 /nfs/dbraw/zinc/51/07/95/627510795.db2.gz NGXPWIRCVCMHGN-UHFFFAOYSA-N 1 1 299.370 3.186 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000769103314 627522696 /nfs/dbraw/zinc/52/26/96/627522696.db2.gz VOFGYHDYWVFIND-OCCSQVGLSA-N 1 1 261.365 3.165 20 10 CGCDMO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000769433420 627551656 /nfs/dbraw/zinc/55/16/56/627551656.db2.gz JLKPLBDCOFGCOQ-HDICACEKSA-N 1 1 295.382 3.422 20 10 CGCDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000769469567 627556082 /nfs/dbraw/zinc/55/60/82/627556082.db2.gz AEVNMMGIVDYEKF-MAUKXSAKSA-N 1 1 289.467 3.057 20 10 CGCDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000769469567 627556085 /nfs/dbraw/zinc/55/60/85/627556085.db2.gz AEVNMMGIVDYEKF-MAUKXSAKSA-N 1 1 289.467 3.057 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H](C)COC)cc1 ZINC000769534560 627563465 /nfs/dbraw/zinc/56/34/65/627563465.db2.gz WDUAUHIYLRMCKF-OAHLLOKOSA-N 1 1 278.440 3.247 20 10 CGCDMO CCCN(CCC)c1ccc(C[N@H+]2CC[C@@](C)(O)C2)cc1 ZINC000769542526 627564698 /nfs/dbraw/zinc/56/46/98/627564698.db2.gz KCCUKLNAPZCCDM-GOSISDBHSA-N 1 1 290.451 3.270 20 10 CGCDMO CC[C@H](CSC)[N@@H+](C)Cc1cc(OC)c(C)cc1O ZINC000773258285 627869610 /nfs/dbraw/zinc/86/96/10/627869610.db2.gz PWKBNVUIPHMGPL-CYBMUJFWSA-N 1 1 283.437 3.283 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)[C@H](CO)c2ccccc2)cc1 ZINC000773749378 627910533 /nfs/dbraw/zinc/91/05/33/627910533.db2.gz USSJEQMBXHLWOC-LJQANCHMSA-N 1 1 298.430 3.308 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCS[C@H](C)CC2)cc1 ZINC000773889664 627925231 /nfs/dbraw/zinc/92/52/31/627925231.db2.gz ZVIMPNVNMOXFKQ-CQSZACIVSA-N 1 1 278.465 3.470 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc2nc[nH]c2c1)c1ccc(N(C)C)cc1 ZINC000775361138 628086208 /nfs/dbraw/zinc/08/62/08/628086208.db2.gz APYQPTQVDDVAMS-CYBMUJFWSA-N 1 1 294.402 3.480 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000775633841 628117838 /nfs/dbraw/zinc/11/78/38/628117838.db2.gz LVWACEGGXHYKLH-MRXNPFEDSA-N 1 1 269.344 3.348 20 10 CGCDMO Cc1cccc(C[N@@H+](C)CCOc2ccc(F)cc2)c1O ZINC000775646984 628119179 /nfs/dbraw/zinc/11/91/79/628119179.db2.gz PDQVOAZVIPXFKZ-UHFFFAOYSA-N 1 1 289.350 3.351 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC[C@H](C)[C@H]2CC)c(O)c1 ZINC000775997561 628156576 /nfs/dbraw/zinc/15/65/76/628156576.db2.gz BEHIRCIVPCVMBX-SWLSCSKDSA-N 1 1 263.381 3.411 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)cc1 ZINC000777222412 628256822 /nfs/dbraw/zinc/25/68/22/628256822.db2.gz SCQICZZHITVPEK-GOSISDBHSA-N 1 1 288.435 3.144 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)cc1C ZINC000777965966 628316975 /nfs/dbraw/zinc/31/69/75/628316975.db2.gz BXLBNRZJGDLMEQ-YGRLFVJLSA-N 1 1 251.345 3.189 20 10 CGCDMO Oc1ccc(F)cc1C[N@@H+]1CCc2c(F)cccc2C1 ZINC000779014799 628383063 /nfs/dbraw/zinc/38/30/63/628383063.db2.gz MCMAGEQZLIJIAR-UHFFFAOYSA-N 1 1 275.298 3.229 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCc2c(F)cccc2C1 ZINC000779014799 628383068 /nfs/dbraw/zinc/38/30/68/628383068.db2.gz MCMAGEQZLIJIAR-UHFFFAOYSA-N 1 1 275.298 3.229 20 10 CGCDMO OCC[C@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000779201938 628394044 /nfs/dbraw/zinc/39/40/44/628394044.db2.gz IYVXRFKPOJAKST-QGZVFWFLSA-N 1 1 288.435 3.024 20 10 CGCDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C[C@@H]1O ZINC000779432241 628413405 /nfs/dbraw/zinc/41/34/05/628413405.db2.gz PQLMPRHVHGSJDG-HIFRSBDPSA-N 1 1 297.826 3.275 20 10 CGCDMO CC[N@@H+](CC[C@H]1CCOC1)Cc1ccc(N(C)C)cc1 ZINC000783506525 628719440 /nfs/dbraw/zinc/71/94/40/628719440.db2.gz LKULOZKKVXHUQS-INIZCTEOSA-N 1 1 276.424 3.001 20 10 CGCDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)ccc1O ZINC000785988326 628905854 /nfs/dbraw/zinc/90/58/54/628905854.db2.gz LDHGCYRJTZTLAG-UHIISALHSA-N 1 1 283.799 3.027 20 10 CGCDMO CO[C@@H](CC[NH2+][C@H](C)c1ccc(F)cc1O)C(F)(F)F ZINC000786953561 628972410 /nfs/dbraw/zinc/97/24/10/628972410.db2.gz MCUWIFPJKOLDEC-PELKAZGASA-N 1 1 295.276 3.149 20 10 CGCDMO C[C@H]1CCC[C@@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790960546 629243420 /nfs/dbraw/zinc/24/34/20/629243420.db2.gz VTCGYQBQFROASU-KWQFWETISA-N 1 1 257.736 3.463 20 10 CGCDMO C[C@H]1C[NH+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1C ZINC000792164709 629341539 /nfs/dbraw/zinc/34/15/39/629341539.db2.gz CGCZBJPPKAVGSI-IUCAKERBSA-N 1 1 257.736 3.273 20 10 CGCDMO C[C@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@H]1C ZINC000792164707 629341627 /nfs/dbraw/zinc/34/16/27/629341627.db2.gz CGCZBJPPKAVGSI-DTORHVGOSA-N 1 1 257.736 3.273 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@H]1C ZINC000792164707 629341632 /nfs/dbraw/zinc/34/16/32/629341632.db2.gz CGCZBJPPKAVGSI-DTORHVGOSA-N 1 1 257.736 3.273 20 10 CGCDMO C[C@@H]1C[C@H](C)[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792166869 629342157 /nfs/dbraw/zinc/34/21/57/629342157.db2.gz UVEWYSSFBCZNIK-BDAKNGLRSA-N 1 1 257.736 3.415 20 10 CGCDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792166869 629342159 /nfs/dbraw/zinc/34/21/59/629342159.db2.gz UVEWYSSFBCZNIK-BDAKNGLRSA-N 1 1 257.736 3.415 20 10 CGCDMO CCO[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792161843 629342843 /nfs/dbraw/zinc/34/28/43/629342843.db2.gz JVYPHYHJIFYEFJ-JTQLQIEISA-N 1 1 287.762 3.186 20 10 CGCDMO CCO[C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792161843 629342845 /nfs/dbraw/zinc/34/28/45/629342845.db2.gz JVYPHYHJIFYEFJ-JTQLQIEISA-N 1 1 287.762 3.186 20 10 CGCDMO CC[N@@H+](Cc1c(O)ccc(Cl)c1F)C[C@H]1CCCO1 ZINC000792167456 629343283 /nfs/dbraw/zinc/34/32/83/629343283.db2.gz TVPDMEOAYRSTEB-SNVBAGLBSA-N 1 1 287.762 3.186 20 10 CGCDMO CC[N@H+](Cc1c(O)ccc(Cl)c1F)C[C@H]1CCCO1 ZINC000792167456 629343287 /nfs/dbraw/zinc/34/32/87/629343287.db2.gz TVPDMEOAYRSTEB-SNVBAGLBSA-N 1 1 287.762 3.186 20 10 CGCDMO C[C@H]1C[C@H](C)[NH+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862350909 629346225 /nfs/dbraw/zinc/34/62/25/629346225.db2.gz IUXUXMVUNWWEKJ-UWVGGRQHSA-N 1 1 254.324 3.014 20 10 CGCDMO COCC[N@@H+](Cc1cc(C)ccc1O)[C@@H]1CC[C@@H](C)C1 ZINC000792193004 629348083 /nfs/dbraw/zinc/34/80/83/629348083.db2.gz PNNIQZQQIZNEML-GDBMZVCRSA-N 1 1 277.408 3.338 20 10 CGCDMO Cc1ccncc1C[N@@H+](C)Cc1c(O)cccc1Cl ZINC000793337341 629445233 /nfs/dbraw/zinc/44/52/33/629445233.db2.gz PELYAYJIEZGHRZ-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO Cc1ccncc1C[N@H+](C)Cc1c(O)cccc1Cl ZINC000793337341 629445234 /nfs/dbraw/zinc/44/52/34/629445234.db2.gz PELYAYJIEZGHRZ-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1 ZINC000793530435 629477417 /nfs/dbraw/zinc/47/74/17/629477417.db2.gz OBIWNQYXLBMAOT-DZGCQCFKSA-N 1 1 281.346 3.486 20 10 CGCDMO C[C@]12CC[N@@H+](Cc3cc4c(cc3O)CCC4)C[C@H]1C2(F)F ZINC000793534695 629478233 /nfs/dbraw/zinc/47/82/33/629478233.db2.gz UZSNWFVJUWWKTM-CVEARBPZSA-N 1 1 293.357 3.358 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@@H](CSC)C2)c(O)cc1C ZINC000793795962 629501949 /nfs/dbraw/zinc/50/19/49/629501949.db2.gz JDJQXLYBOKWBQD-CYBMUJFWSA-N 1 1 295.448 3.284 20 10 CGCDMO CO[C@]1(C)CCC[N@@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000794653272 629564349 /nfs/dbraw/zinc/56/43/49/629564349.db2.gz DIHYISYSUXCCAR-MRXNPFEDSA-N 1 1 263.381 3.010 20 10 CGCDMO CC[C@H]([NH2+]CCN1CCCCCC1)c1ccc(F)cc1O ZINC000796683792 629814622 /nfs/dbraw/zinc/81/46/22/629814622.db2.gz PGLJUZFFWILNLE-INIZCTEOSA-N 1 1 294.414 3.448 20 10 CGCDMO CC[C@H](C[NH2+][C@H](CC)c1ccc(F)cc1O)N1CCCC1 ZINC000796695187 629816279 /nfs/dbraw/zinc/81/62/79/629816279.db2.gz MPUAFVZLXAUGEM-GDBMZVCRSA-N 1 1 294.414 3.446 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)CN1CCCCC1)c1ccc(F)cc1O ZINC000796697753 629816859 /nfs/dbraw/zinc/81/68/59/629816859.db2.gz WQUUWPRRAMDZJD-BBRMVZONSA-N 1 1 294.414 3.446 20 10 CGCDMO CC[C@H]([NH2+]CCOC(F)(F)F)c1ccc(F)cc1O ZINC000796960376 629865534 /nfs/dbraw/zinc/86/55/34/629865534.db2.gz GCTFDLIIWGYWJD-JTQLQIEISA-N 1 1 281.249 3.108 20 10 CGCDMO COc1cc(C)cc(C[N@@H+]2CC(C)=C[C@H](C)C2)c1O ZINC000797416436 629944867 /nfs/dbraw/zinc/94/48/67/629944867.db2.gz ICXRFCIWGDMNHO-LBPRGKRZSA-N 1 1 261.365 3.107 20 10 CGCDMO CCOc1cccc(C[N@@H+]2CC(C)=C[C@H](C)C2)c1O ZINC000797605033 629969987 /nfs/dbraw/zinc/96/99/87/629969987.db2.gz LHRMOOBJCFFGFP-LBPRGKRZSA-N 1 1 261.365 3.189 20 10 CGCDMO COC[C@H]1CC[N@H+]1Cc1cc(C)cc(C(C)(C)C)c1O ZINC000840083758 630583275 /nfs/dbraw/zinc/58/32/75/630583275.db2.gz RKYXOIFRIPEMEZ-CQSZACIVSA-N 1 1 277.408 3.219 20 10 CGCDMO CS[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000840114812 630598828 /nfs/dbraw/zinc/59/88/28/630598828.db2.gz JRFKWIGKDXLYPH-ZDUSSCGKSA-N 1 1 295.448 3.333 20 10 CGCDMO CCCC[N@H+](C)C[C@H](C)NCc1cc(Cl)ccc1O ZINC000808454702 630646979 /nfs/dbraw/zinc/64/69/79/630646979.db2.gz NZEBHDGBUJCESA-LBPRGKRZSA-N 1 1 284.831 3.256 20 10 CGCDMO CCCC[N@@H+](C)C[C@H](C)NCc1cc(Cl)ccc1O ZINC000808454702 630646982 /nfs/dbraw/zinc/64/69/82/630646982.db2.gz NZEBHDGBUJCESA-LBPRGKRZSA-N 1 1 284.831 3.256 20 10 CGCDMO Cc1nnc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)s1 ZINC000808712074 630669281 /nfs/dbraw/zinc/66/92/81/630669281.db2.gz AOSHPCLZAFQGNA-MRVPVSSYSA-N 1 1 297.811 3.365 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H](O)C(C)(C)C ZINC000808756933 630675532 /nfs/dbraw/zinc/67/55/32/630675532.db2.gz AAAPSHJIBNETCW-MRXNPFEDSA-N 1 1 279.424 3.401 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000809688542 630783336 /nfs/dbraw/zinc/78/33/36/630783336.db2.gz LLUDVKSVVYRVPZ-UHFFFAOYSA-N 1 1 273.307 3.414 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)cc1 ZINC000809692672 630783977 /nfs/dbraw/zinc/78/39/77/630783977.db2.gz CSWFZSAUYPUKCA-CALCHBBNSA-N 1 1 276.424 3.142 20 10 CGCDMO C[C@H]([NH2+]Cc1cc(F)ccc1O)c1c(F)cncc1F ZINC000809717280 630790331 /nfs/dbraw/zinc/79/03/31/630790331.db2.gz ZFVQVNPMNYJXNT-QMMMGPOBSA-N 1 1 282.265 3.055 20 10 CGCDMO CCCN(CCC)c1ccc(C[N@@H+](C)[C@@H](C)CO)cc1 ZINC000809742919 630796491 /nfs/dbraw/zinc/79/64/91/630796491.db2.gz MLOWXHNSMADAQK-HNNXBMFYSA-N 1 1 278.440 3.126 20 10 CGCDMO CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000810253686 630860005 /nfs/dbraw/zinc/86/00/05/630860005.db2.gz AFQIQOPFFVJMHE-SCRDCRAPSA-N 1 1 294.414 3.398 20 10 CGCDMO CC(C)[N@H+](C)C[C@@H](C)N[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000810253686 630860011 /nfs/dbraw/zinc/86/00/11/630860011.db2.gz AFQIQOPFFVJMHE-SCRDCRAPSA-N 1 1 294.414 3.398 20 10 CGCDMO CCC[N@H+](CC)C[C@H](C)N[C@H](C)c1cc(OC)ccc1O ZINC000810261860 630861422 /nfs/dbraw/zinc/86/14/22/630861422.db2.gz GHJJWDROARBHPO-UONOGXRCSA-N 1 1 294.439 3.172 20 10 CGCDMO CCC[N@@H+](CC)C[C@H](C)N[C@H](C)c1cc(OC)ccc1O ZINC000810261860 630861424 /nfs/dbraw/zinc/86/14/24/630861424.db2.gz GHJJWDROARBHPO-UONOGXRCSA-N 1 1 294.439 3.172 20 10 CGCDMO CCC[N@H+](CC)C[C@@H](C)N[C@H](C)c1cc(F)ccc1O ZINC000810262590 630862646 /nfs/dbraw/zinc/86/26/46/630862646.db2.gz TUOKUHJCZXSSDR-CHWSQXEVSA-N 1 1 282.403 3.302 20 10 CGCDMO CCC[N@@H+](CC)C[C@@H](C)N[C@H](C)c1cc(F)ccc1O ZINC000810262590 630862649 /nfs/dbraw/zinc/86/26/49/630862649.db2.gz TUOKUHJCZXSSDR-CHWSQXEVSA-N 1 1 282.403 3.302 20 10 CGCDMO CCCN(CC)C[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000810262713 630862714 /nfs/dbraw/zinc/86/27/14/630862714.db2.gz WAMAVIXRDRBSJM-CHWSQXEVSA-N 1 1 282.403 3.302 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c(O)c1 ZINC000876534416 634853297 /nfs/dbraw/zinc/85/32/97/634853297.db2.gz CHMHGYQHXNSTET-LBPRGKRZSA-N 1 1 273.298 3.475 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)Cc2occc2C)c(O)c1 ZINC000814174797 631539037 /nfs/dbraw/zinc/53/90/37/631539037.db2.gz KCDQDPSCCNHIHN-UHFFFAOYSA-N 1 1 275.348 3.324 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@H](C(F)(F)F)C2)ccc1N(C)C ZINC000815079227 631712308 /nfs/dbraw/zinc/71/23/08/631712308.db2.gz NRECPYPDIKQNTC-ZDUSSCGKSA-N 1 1 286.341 3.445 20 10 CGCDMO Cc1cc(C[N@H+](C(C)C)[C@H]2CCOC2)ccc1N(C)C ZINC000815119241 631721574 /nfs/dbraw/zinc/72/15/74/631721574.db2.gz RGEURVPXORLBDY-INIZCTEOSA-N 1 1 276.424 3.060 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCOC[C@@H]2CC2CCC2)cc1 ZINC000815293095 631755025 /nfs/dbraw/zinc/75/50/25/631755025.db2.gz WTVIMUBLMZLGRM-SFHVURJKSA-N 1 1 288.435 3.144 20 10 CGCDMO COC(C)(C)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815589283 631802800 /nfs/dbraw/zinc/80/28/00/631802800.db2.gz NXCLIGNHYQAOQR-SECBINFHSA-N 1 1 291.313 3.487 20 10 CGCDMO CC[N@@H+](Cc1cc(Cl)c(F)cc1O)C[C@H]1CCCO1 ZINC000816496099 631994580 /nfs/dbraw/zinc/99/45/80/631994580.db2.gz WIZGHXQCBMACFY-LLVKDONJSA-N 1 1 287.762 3.186 20 10 CGCDMO CC[N@H+](Cc1cc(Cl)c(F)cc1O)C[C@H]1CCCO1 ZINC000816496099 631994584 /nfs/dbraw/zinc/99/45/84/631994584.db2.gz WIZGHXQCBMACFY-LLVKDONJSA-N 1 1 287.762 3.186 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CCCO1 ZINC000816502597 631995659 /nfs/dbraw/zinc/99/56/59/631995659.db2.gz IRBHDYQHOUGBIH-CYBMUJFWSA-N 1 1 271.360 3.156 20 10 CGCDMO Cn1cccc1C[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816513922 631997715 /nfs/dbraw/zinc/99/77/15/631997715.db2.gz HAADSNGCBAWNAK-UHFFFAOYSA-N 1 1 282.746 3.155 20 10 CGCDMO Cn1cccc1C[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816513922 631997723 /nfs/dbraw/zinc/99/77/23/631997723.db2.gz HAADSNGCBAWNAK-UHFFFAOYSA-N 1 1 282.746 3.155 20 10 CGCDMO Cc1ccc(CC[NH2+]Cc2cc(Cl)c(F)cc2O)o1 ZINC000816535091 632006510 /nfs/dbraw/zinc/00/65/10/632006510.db2.gz FFHXFZXDEYYFAC-UHFFFAOYSA-N 1 1 283.730 3.418 20 10 CGCDMO C[C@H]1CC([NH2+]Cc2cc(Cl)c(F)cc2O)C[C@H](C)O1 ZINC000816559758 632013306 /nfs/dbraw/zinc/01/33/06/632013306.db2.gz UDVRBZACMGDMIO-IUCAKERBSA-N 1 1 287.762 3.230 20 10 CGCDMO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816560731 632013407 /nfs/dbraw/zinc/01/34/07/632013407.db2.gz YOFLCCSNBRTGLP-LKFCYVNXSA-N 1 1 287.762 3.089 20 10 CGCDMO Cc1cc(Br)cc(C[N@@H+]2C[C@@H](C)[C@@H]2C)c1O ZINC000816649145 632037357 /nfs/dbraw/zinc/03/73/57/632037357.db2.gz UXEJVHGBRYHYJZ-ZJUUUORDSA-N 1 1 284.197 3.303 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000817414955 632145194 /nfs/dbraw/zinc/14/51/94/632145194.db2.gz NHFLZNGYTXMMKX-CQSZACIVSA-N 1 1 275.392 3.413 20 10 CGCDMO CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)c1cccc(Cl)c1[O-] ZINC000817959141 632254383 /nfs/dbraw/zinc/25/43/83/632254383.db2.gz PTGIKGJOUMINGN-FZMZJTMJSA-N 1 1 284.831 3.460 20 10 CGCDMO C[C@H](NCC(C)(C)[NH3+])c1ccc(N2CCCCCC2)cc1 ZINC000817960230 632256156 /nfs/dbraw/zinc/25/61/56/632256156.db2.gz KTCHWSOERQHJMD-HNNXBMFYSA-N 1 1 289.467 3.455 20 10 CGCDMO COC1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCCC1 ZINC000824445542 633247119 /nfs/dbraw/zinc/24/71/19/633247119.db2.gz DTRWNIYWNYAWRE-UHFFFAOYSA-N 1 1 287.762 3.234 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000824940717 633307639 /nfs/dbraw/zinc/30/76/39/633307639.db2.gz BEODOEQLPFUDNI-AEFFLSMTSA-N 1 1 287.403 3.411 20 10 CGCDMO CO[C@H]([C@@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F)C1CC1 ZINC000825099091 633328560 /nfs/dbraw/zinc/32/85/60/633328560.db2.gz ULGJUAUBOFRYSX-XLKFXECMSA-N 1 1 287.762 3.088 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1Cl ZINC000825904002 633387879 /nfs/dbraw/zinc/38/78/79/633387879.db2.gz ZYDRMWAZCGHZAW-ZDUSSCGKSA-N 1 1 296.842 3.174 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1Cl ZINC000825904002 633387881 /nfs/dbraw/zinc/38/78/81/633387881.db2.gz ZYDRMWAZCGHZAW-ZDUSSCGKSA-N 1 1 296.842 3.174 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000842776673 633410213 /nfs/dbraw/zinc/41/02/13/633410213.db2.gz NPLSQXCQRQOPEW-LPEHRKFASA-N 1 1 269.747 3.463 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)CC2=CCCOC2)cc1 ZINC000827190151 633469124 /nfs/dbraw/zinc/46/91/24/633469124.db2.gz REXOFEHNHFHGJU-XQRVVYSFSA-N 1 1 286.419 3.044 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000827506212 633495557 /nfs/dbraw/zinc/49/55/57/633495557.db2.gz DVANOELVJOIKNU-OBMMGQTPSA-N 1 1 256.393 3.108 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)c1 ZINC000828013582 633548205 /nfs/dbraw/zinc/54/82/05/633548205.db2.gz DVPUKATVPWLOHZ-UHFFFAOYSA-N 1 1 285.391 3.008 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)[C@H](C)O ZINC000834889016 634268848 /nfs/dbraw/zinc/26/88/48/634268848.db2.gz TXYDDCICLFQABZ-AUTRQRHGSA-N 1 1 291.313 3.221 20 10 CGCDMO CC[C@@H]([NH2+]Cc1ncccc1OC)c1ccc(F)cc1O ZINC000834905683 634281876 /nfs/dbraw/zinc/28/18/76/634281876.db2.gz JTWHNKCMGXYFFX-CYBMUJFWSA-N 1 1 290.338 3.176 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cc(Cl)ccc1[O-] ZINC000873245091 634299468 /nfs/dbraw/zinc/29/94/68/634299468.db2.gz PHBFXVCCEDMHJF-WCQYABFASA-N 1 1 296.842 3.474 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCCOC(C)(C)C2)cc1 ZINC000835025098 634324296 /nfs/dbraw/zinc/32/42/96/634324296.db2.gz DYXFHKICPBWDGS-ALCCZGGFSA-N 1 1 288.435 3.267 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCOC3(CCC3)C2)cc1 ZINC000835026524 634325647 /nfs/dbraw/zinc/32/56/47/634325647.db2.gz UGPWAPVXJWKWSU-HYXAFXHYSA-N 1 1 286.419 3.021 20 10 CGCDMO C[C@H](O)C[C@@H]1CCC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835028151 634326217 /nfs/dbraw/zinc/32/62/17/634326217.db2.gz KCKWOZKVGMYDMZ-HBJANEJGSA-N 1 1 288.435 3.001 20 10 CGCDMO CC[C@]1(CO)CCC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835046758 634333600 /nfs/dbraw/zinc/33/36/00/634333600.db2.gz ZMSCMWTYIRYDFC-LZCIBIBXSA-N 1 1 288.435 3.003 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000876723984 634887226 /nfs/dbraw/zinc/88/72/26/634887226.db2.gz KEWBJXYITMMNFX-CYBMUJFWSA-N 1 1 257.333 3.283 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCc2ccsc2C1 ZINC000876739989 634889687 /nfs/dbraw/zinc/88/96/87/634889687.db2.gz BQGVHZRCNOYYGC-UHFFFAOYSA-N 1 1 259.374 3.320 20 10 CGCDMO CSC[C@@H]1CCC[N@H+]1Cc1c(C)cccc1O ZINC000876776635 634897757 /nfs/dbraw/zinc/89/77/57/634897757.db2.gz GHTFRKQBJUJHHD-LBPRGKRZSA-N 1 1 251.395 3.028 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000876778984 634897853 /nfs/dbraw/zinc/89/78/53/634897853.db2.gz UCYWIXHNIRILTN-INIZCTEOSA-N 1 1 289.400 3.336 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000877425525 635038087 /nfs/dbraw/zinc/03/80/87/635038087.db2.gz CNDZHEVBDAPECW-OAHLLOKOSA-N 1 1 275.392 3.092 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@H](OCC3CC3)C2)c(O)c1 ZINC000877425669 635039802 /nfs/dbraw/zinc/03/98/02/635039802.db2.gz DHEWNULUIIMREK-INIZCTEOSA-N 1 1 275.392 3.092 20 10 CGCDMO CCO[C@H]1C[C@@H]([NH2+][C@H](CC)c2ccc(F)cc2O)C1 ZINC000840765553 635049276 /nfs/dbraw/zinc/04/92/76/635049276.db2.gz XAVIGRKOHYSTKY-MBNYWOFBSA-N 1 1 267.344 3.140 20 10 CGCDMO Cc1ccc(C[NH2+][C@H](C)c2nc(C(C)(C)C)no2)c(O)c1 ZINC000877471293 635050324 /nfs/dbraw/zinc/05/03/24/635050324.db2.gz UPCFKQOQZYULIC-LLVKDONJSA-N 1 1 289.379 3.232 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)c1ccn(C)n1)c1ccc(F)cc1O ZINC000840816676 635057895 /nfs/dbraw/zinc/05/78/95/635057895.db2.gz XHPHARVPFZFABH-ZWNOBZJWSA-N 1 1 277.343 3.067 20 10 CGCDMO CCCC[N@@H+](Cc1ccc(=O)[nH]c1)Cc1ccccc1O ZINC000877503628 635063604 /nfs/dbraw/zinc/06/36/04/635063604.db2.gz RQFAQKIEKOBFGD-UHFFFAOYSA-N 1 1 286.375 3.295 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c(O)c1 ZINC000877529291 635072752 /nfs/dbraw/zinc/07/27/52/635072752.db2.gz YJJBGQDJHYYUOU-JKSUJKDBSA-N 1 1 289.419 3.339 20 10 CGCDMO Cc1cc(O)c(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000840881638 635073048 /nfs/dbraw/zinc/07/30/48/635073048.db2.gz PBOQHDHPKLGXIX-STQMWFEESA-N 1 1 294.826 3.070 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c(O)c1 ZINC000877544525 635082003 /nfs/dbraw/zinc/08/20/03/635082003.db2.gz YVRXSTBVESFZIF-UONOGXRCSA-N 1 1 267.319 3.178 20 10 CGCDMO COCC1=CC[N@@H+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840938807 635086928 /nfs/dbraw/zinc/08/69/28/635086928.db2.gz RRXPNBWESFVJGL-UHFFFAOYSA-N 1 1 281.783 3.133 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2c(O)cc(C)cc2Cl)C[C@@H]1C ZINC000840949939 635090652 /nfs/dbraw/zinc/09/06/52/635090652.db2.gz DGWOXCISJHQZDJ-NHYWBVRUSA-N 1 1 283.799 3.211 20 10 CGCDMO Cc1cc(N(C)C)ccc1CNC(C)(C)C[NH+]1CCCC1 ZINC000840952732 635092509 /nfs/dbraw/zinc/09/25/09/635092509.db2.gz HWQGEJGXCYBPFR-UHFFFAOYSA-N 1 1 289.467 3.025 20 10 CGCDMO Cc1cc(O)c(C[NH2+]Cc2nnc(C3CC3)s2)cc1C ZINC000840972994 635098448 /nfs/dbraw/zinc/09/84/48/635098448.db2.gz AFSKNKBNSJPNIG-UHFFFAOYSA-N 1 1 289.404 3.028 20 10 CGCDMO CCOC[C@H]1CCCC[N@H+]1Cc1c(C)cccc1O ZINC000877584511 635102499 /nfs/dbraw/zinc/10/24/99/635102499.db2.gz GTNNQBQALIPSRA-CQSZACIVSA-N 1 1 263.381 3.092 20 10 CGCDMO Oc1c(F)cccc1C[NH2+]Cc1cccc2c1CCCN2 ZINC000841083286 635118958 /nfs/dbraw/zinc/11/89/58/635118958.db2.gz NAKQTYNOWHQIQQ-UHFFFAOYSA-N 1 1 286.350 3.179 20 10 CGCDMO CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841088116 635119788 /nfs/dbraw/zinc/11/97/88/635119788.db2.gz XWPMCAJVRUTMAU-LLVKDONJSA-N 1 1 291.222 3.162 20 10 CGCDMO COC(C)(C)CC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000877707993 635158816 /nfs/dbraw/zinc/15/88/16/635158816.db2.gz WGZXIHDIIXSIBY-UHFFFAOYSA-N 1 1 275.751 3.089 20 10 CGCDMO CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841744194 635221753 /nfs/dbraw/zinc/22/17/53/635221753.db2.gz MTTYKKMKLJIIRC-LBPRGKRZSA-N 1 1 284.831 3.427 20 10 CGCDMO COCC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841746793 635223871 /nfs/dbraw/zinc/22/38/71/635223871.db2.gz LGVSODUFQCQZOZ-VHSXEESVSA-N 1 1 257.761 3.121 20 10 CGCDMO CS[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841751146 635225552 /nfs/dbraw/zinc/22/55/52/635225552.db2.gz LNVLEGMTOYEBMS-BDAKNGLRSA-N 1 1 259.802 3.448 20 10 CGCDMO C[C@H]([NH2+][C@H]1CSC[C@H]1C)c1ccc(Cl)cc1O ZINC000841756733 635229626 /nfs/dbraw/zinc/22/96/26/635229626.db2.gz JOZSLPPDOFVDOU-PTRXPTGYSA-N 1 1 271.813 3.448 20 10 CGCDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cc[nH]c(=O)c1 ZINC000877975614 635302657 /nfs/dbraw/zinc/30/26/57/635302657.db2.gz APKXRFCUTNOFEM-UHFFFAOYSA-N 1 1 299.418 3.264 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)CC2(CCC2)O1 ZINC000842641831 635425294 /nfs/dbraw/zinc/42/52/94/635425294.db2.gz XUMOEGKYHWDZGA-CYBMUJFWSA-N 1 1 298.386 3.084 20 10 CGCDMO CC(C)[C@@H]([NH3+])CCN(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000843056500 635553134 /nfs/dbraw/zinc/55/31/34/635553134.db2.gz OCAKMIYMKQGOHG-DKFQHHCZSA-N 1 1 289.467 3.071 20 10 CGCDMO CC(C)C[N@@H+](C)CCCNCc1c(O)cccc1Cl ZINC000845997178 636127814 /nfs/dbraw/zinc/12/78/14/636127814.db2.gz WKVRDWCSNQLQEM-UHFFFAOYSA-N 1 1 284.831 3.113 20 10 CGCDMO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000846013260 636129170 /nfs/dbraw/zinc/12/91/70/636129170.db2.gz JAOGXMKJBCPODJ-SKDRFNHKSA-N 1 1 289.778 3.071 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846116848 636146594 /nfs/dbraw/zinc/14/65/94/636146594.db2.gz LNHUUWVAEABUQU-GFCCVEGCSA-N 1 1 291.700 3.416 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846116848 636146596 /nfs/dbraw/zinc/14/65/96/636146596.db2.gz LNHUUWVAEABUQU-GFCCVEGCSA-N 1 1 291.700 3.416 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846117150 636146990 /nfs/dbraw/zinc/14/69/90/636146990.db2.gz NMBXZTCOHQEPJJ-LBPRGKRZSA-N 1 1 273.710 3.277 20 10 CGCDMO COc1ccc2c(c1)C[N@@H+](Cc1ccc(N(C)C)cc1)C2 ZINC000847045213 636321756 /nfs/dbraw/zinc/32/17/56/636321756.db2.gz LAPOANSJWPMBHV-UHFFFAOYSA-N 1 1 282.387 3.277 20 10 CGCDMO COc1ccc2c(c1)C[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC000847045213 636321758 /nfs/dbraw/zinc/32/17/58/636321758.db2.gz LAPOANSJWPMBHV-UHFFFAOYSA-N 1 1 282.387 3.277 20 10 CGCDMO C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000883121727 636547211 /nfs/dbraw/zinc/54/72/11/636547211.db2.gz QJYLGSUCDZLHFT-PSLIRLAXSA-N 1 1 291.297 3.282 20 10 CGCDMO C[C@@]1(CC[NH2+]Cc2cc(F)cc(F)c2O)C[C@]1(F)Cl ZINC000883158084 636560393 /nfs/dbraw/zinc/56/03/93/636560393.db2.gz UIBPKJCZBBWAQC-CHWSQXEVSA-N 1 1 293.716 3.465 20 10 CGCDMO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000131482146 636666579 /nfs/dbraw/zinc/66/65/79/636666579.db2.gz MEBLWDZYHGNHGP-ZWNOBZJWSA-N 1 1 269.772 3.045 20 10 CGCDMO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc(Cl)ccc1O ZINC000131482146 636666584 /nfs/dbraw/zinc/66/65/84/636666584.db2.gz MEBLWDZYHGNHGP-ZWNOBZJWSA-N 1 1 269.772 3.045 20 10 CGCDMO CCc1cccc(C[N@@H+](C)CCc2ncc(C)s2)c1O ZINC000848889594 636677558 /nfs/dbraw/zinc/67/75/58/636677558.db2.gz MUIMOLCZDBBARG-UHFFFAOYSA-N 1 1 290.432 3.394 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)c1O ZINC000848900110 636681776 /nfs/dbraw/zinc/68/17/76/636681776.db2.gz AYMCVLIUMPDRNO-RISCZKNCSA-N 1 1 251.345 3.135 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c1O ZINC000848908936 636685924 /nfs/dbraw/zinc/68/59/24/636685924.db2.gz GFHQALVHTQKXIO-JKSUJKDBSA-N 1 1 275.392 3.098 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)[NH2+]CC(C)(C)CN(C)C)cc1 ZINC000132117587 636783878 /nfs/dbraw/zinc/78/38/78/636783878.db2.gz KIJOKPLFAPEVGL-OAHLLOKOSA-N 1 1 291.483 3.381 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)NCC(C)(C)C[NH+](C)C)cc1 ZINC000132117587 636783887 /nfs/dbraw/zinc/78/38/87/636783887.db2.gz KIJOKPLFAPEVGL-OAHLLOKOSA-N 1 1 291.483 3.381 20 10 CGCDMO C[C@H]1C[N@H+](Cc2cccc(Br)c2O)C[C@H]1C ZINC000132754537 636835314 /nfs/dbraw/zinc/83/53/14/636835314.db2.gz FGHPRFFTCNSTON-AOOOYVTPSA-N 1 1 284.197 3.243 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cccc(Br)c2O)C[C@H]1C ZINC000132754537 636835317 /nfs/dbraw/zinc/83/53/17/636835317.db2.gz FGHPRFFTCNSTON-AOOOYVTPSA-N 1 1 284.197 3.243 20 10 CGCDMO Oc1cccc(Cl)c1C[N@@H+]1CCOc2ccccc2C1 ZINC000134098011 636998150 /nfs/dbraw/zinc/99/81/50/636998150.db2.gz XBYAGRZWBNQQEN-UHFFFAOYSA-N 1 1 289.762 3.440 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCOc2ccccc2C1 ZINC000134098011 636998154 /nfs/dbraw/zinc/99/81/54/636998154.db2.gz XBYAGRZWBNQQEN-UHFFFAOYSA-N 1 1 289.762 3.440 20 10 CGCDMO CC[C@H]([NH2+]CCC1CC(OC)C1)c1ccc(F)cc1O ZINC000850480997 637084634 /nfs/dbraw/zinc/08/46/34/637084634.db2.gz DGEBHJBBPUEKJH-HGMXIMQMSA-N 1 1 281.371 3.387 20 10 CGCDMO C[C@@H](N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1O ZINC000850538749 637113852 /nfs/dbraw/zinc/11/38/52/637113852.db2.gz LAESSEOKSYZCDW-HUUCEWRRSA-N 1 1 288.435 3.450 20 10 CGCDMO C[C@@H](N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1O ZINC000850538749 637113857 /nfs/dbraw/zinc/11/38/57/637113857.db2.gz LAESSEOKSYZCDW-HUUCEWRRSA-N 1 1 288.435 3.450 20 10 CGCDMO CCCCOCCC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886487731 637538014 /nfs/dbraw/zinc/53/80/14/637538014.db2.gz RUSMIXWBEDTYMW-GFCCVEGCSA-N 1 1 269.360 3.389 20 10 CGCDMO C[C@H](C[NH2+][C@@H](C)c1c(O)cccc1F)N1CCCCC1 ZINC000886509081 637545207 /nfs/dbraw/zinc/54/52/07/637545207.db2.gz ZTMUCPGOMCLWJE-OLZOCXBDSA-N 1 1 280.387 3.056 20 10 CGCDMO C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1c(O)cccc1F ZINC000886512644 637547019 /nfs/dbraw/zinc/54/70/19/637547019.db2.gz JYDCSFKGNGSZMX-ZUZCIYMTSA-N 1 1 293.313 3.055 20 10 CGCDMO CC(C)OCCCC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886587712 637593906 /nfs/dbraw/zinc/59/39/06/637593906.db2.gz DDXJMXCAQKNCLX-LBPRGKRZSA-N 1 1 269.360 3.387 20 10 CGCDMO CCn1cc([C@H](C)[NH2+][C@@H](C)c2c(O)cccc2F)cn1 ZINC000886621874 637613204 /nfs/dbraw/zinc/61/32/04/637613204.db2.gz DULSIIOYWVLIFE-QWRGUYRKSA-N 1 1 277.343 3.160 20 10 CGCDMO C[C@H]([NH2+]CC(C)(C)OCC1CC1)c1c(O)cccc1F ZINC000886625531 637616007 /nfs/dbraw/zinc/61/60/07/637616007.db2.gz UEPSMBAMZJPEHB-NSHDSACASA-N 1 1 281.371 3.387 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1c(O)cccc1F ZINC000886651685 637631780 /nfs/dbraw/zinc/63/17/80/637631780.db2.gz OSVHBZPWCNEHHT-NWDGAFQWSA-N 1 1 279.355 3.284 20 10 CGCDMO Cc1cc(C[N@@H+]2CC3(CCC3)OC[C@@H]2C)ccc1N(C)C ZINC000852442505 637652987 /nfs/dbraw/zinc/65/29/87/637652987.db2.gz FGQVQOJWQQFRLQ-HNNXBMFYSA-N 1 1 288.435 3.204 20 10 CGCDMO Cc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CCO)ccc1N(C)C ZINC000852461403 637654948 /nfs/dbraw/zinc/65/49/48/637654948.db2.gz IQSASNBODIXUGB-KSSFIOAISA-N 1 1 290.451 3.044 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](CCF)C2)cc1 ZINC000852533374 637674424 /nfs/dbraw/zinc/67/44/24/637674424.db2.gz UAFXFTHBTVBSTL-CQSZACIVSA-N 1 1 264.388 3.324 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)ccc1N(C)C ZINC000886818647 637704123 /nfs/dbraw/zinc/70/41/23/637704123.db2.gz HRSFBKKEZYRPEA-SJLPKXTDSA-N 1 1 288.435 3.062 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1ccc(F)cc1O ZINC000854226107 638028075 /nfs/dbraw/zinc/02/80/75/638028075.db2.gz NXAOAAJYGKXNHG-HWPZZCPQSA-N 1 1 286.350 3.452 20 10 CGCDMO C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc2ccccc2c1[O-] ZINC000925793691 638616352 /nfs/dbraw/zinc/61/63/52/638616352.db2.gz AGTBTNQIGYKSID-IIAWOOMASA-N 1 1 298.430 3.442 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+]2Cc3ccc(O)cc3C2)cc1 ZINC000859477260 639149623 /nfs/dbraw/zinc/14/96/23/639149623.db2.gz NHGSDBNYXDQDGX-UHFFFAOYSA-N 1 1 282.387 3.364 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2Cc3ccc(O)cc3C2)cc1 ZINC000859477260 639149628 /nfs/dbraw/zinc/14/96/28/639149628.db2.gz NHGSDBNYXDQDGX-UHFFFAOYSA-N 1 1 282.387 3.364 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)C2)c1O ZINC000040719056 639896557 /nfs/dbraw/zinc/89/65/57/639896557.db2.gz QRYLSSYQWGRCNR-SECBINFHSA-N 1 1 267.756 3.090 20 10 CGCDMO COc1cc(C[N@@H+](C)CC2CCCC2)c(O)cc1C ZINC000160031337 640087024 /nfs/dbraw/zinc/08/70/24/640087024.db2.gz ZOSIDPYNTRNVIR-UHFFFAOYSA-N 1 1 263.381 3.331 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CCC[C@]2(CO)CC(C)C)c1 ZINC000188039742 640115189 /nfs/dbraw/zinc/11/51/89/640115189.db2.gz RKCDHQZPRTURGF-QGZVFWFLSA-N 1 1 277.408 3.074 20 10 CGCDMO CC[N@@H+](Cc1ccccn1)Cc1cc2c(cc1O)CCC2 ZINC000084481476 640606638 /nfs/dbraw/zinc/60/66/38/640606638.db2.gz BGGQQPVWXCPXQB-UHFFFAOYSA-N 1 1 282.387 3.298 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H]2CCC[C@H]2O)cc1 ZINC000245697125 640632713 /nfs/dbraw/zinc/63/27/13/640632713.db2.gz BFGWBDVZAKTZNT-SJLPKXTDSA-N 1 1 290.451 3.126 20 10 CGCDMO C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(F)cc1[O-] ZINC000246166449 640661616 /nfs/dbraw/zinc/66/16/16/640661616.db2.gz BSCLTWUKIRCTAH-ZIAGYGMSSA-N 1 1 294.414 3.446 20 10 CGCDMO CC[C@H](C)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000246164510 640661837 /nfs/dbraw/zinc/66/18/37/640661837.db2.gz DTGUTOFEYVDUCN-GOEBONIOSA-N 1 1 277.408 3.419 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)[C@H]1c1ccccc1 ZINC000247424405 640720853 /nfs/dbraw/zinc/72/08/53/640720853.db2.gz KZPZRWUVTRAEIZ-KZULUSFZSA-N 1 1 297.354 3.314 20 10 CGCDMO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)C[C@@H](C)O1 ZINC000248852351 640784241 /nfs/dbraw/zinc/78/42/41/640784241.db2.gz BMAVKIBXYXVWOC-MFKMUULPSA-N 1 1 299.798 3.054 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2O)C[C@@H](C)O1 ZINC000248852351 640784244 /nfs/dbraw/zinc/78/42/44/640784244.db2.gz BMAVKIBXYXVWOC-MFKMUULPSA-N 1 1 299.798 3.054 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCS[C@@H](C(C)C)C2)c1 ZINC000093869310 640784465 /nfs/dbraw/zinc/78/44/65/640784465.db2.gz JMMHNZHLUJMLQI-MRXNPFEDSA-N 1 1 295.448 3.364 20 10 CGCDMO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2cc3c(cc2O)OCO3)C1 ZINC000025484191 798839578 /nfs/dbraw/zinc/83/95/78/798839578.db2.gz NMSKSZNXZGPKBV-WCQYABFASA-N 1 1 277.364 3.131 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C)c1O ZINC000037911479 798879029 /nfs/dbraw/zinc/87/90/29/798879029.db2.gz VVGUDXAPJXGXOK-VIFPVBQESA-N 1 1 267.756 3.233 20 10 CGCDMO C[C@H](CC(F)(F)F)[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001255663084 806698190 /nfs/dbraw/zinc/69/81/90/806698190.db2.gz XVXFQKLPKCEDQB-SECBINFHSA-N 1 1 289.297 3.187 20 10 CGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCOC(C)(C)C2)c1 ZINC000126272443 799006513 /nfs/dbraw/zinc/00/65/13/799006513.db2.gz DATHOWXBFFDCKP-UHFFFAOYSA-N 1 1 293.407 3.006 20 10 CGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCOC(C)(C)C2)c1 ZINC000126272443 799006521 /nfs/dbraw/zinc/00/65/21/799006521.db2.gz DATHOWXBFFDCKP-UHFFFAOYSA-N 1 1 293.407 3.006 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)[C@@H](C)C1 ZINC000305919986 799213717 /nfs/dbraw/zinc/21/37/17/799213717.db2.gz GWLMSQZFKRWJNH-WDEREUQCSA-N 1 1 269.772 3.045 20 10 CGCDMO CCOCC(C)(C)C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000311842317 799225750 /nfs/dbraw/zinc/22/57/50/799225750.db2.gz ULLZPGVBSPQLSU-LLVKDONJSA-N 1 1 269.360 3.245 20 10 CGCDMO CCOc1cccc(C[N@H+]2C[C@H](C)C[C@H]2CC)c1O ZINC000399608853 799539563 /nfs/dbraw/zinc/53/95/63/799539563.db2.gz PZOSTCGGDBSRMK-TZMCWYRMSA-N 1 1 263.381 3.411 20 10 CGCDMO CCOc1cccc(C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)c1O ZINC000399625461 799539605 /nfs/dbraw/zinc/53/96/05/799539605.db2.gz SOEAILJQPCQSSJ-RWMBFGLXSA-N 1 1 263.381 3.267 20 10 CGCDMO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cccc(C)c1O ZINC000403821213 799572560 /nfs/dbraw/zinc/57/25/60/799572560.db2.gz LSMROZWTCFANMS-CQSZACIVSA-N 1 1 263.381 3.090 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)CCOC(C)(C)C)c1O ZINC000689899851 799770125 /nfs/dbraw/zinc/77/01/25/799770125.db2.gz ZPRHMKAUKUQINB-UHFFFAOYSA-N 1 1 281.396 3.038 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccc(F)cc1O ZINC000693908964 799818492 /nfs/dbraw/zinc/81/84/92/799818492.db2.gz CLBNUSQITYOUBW-YPMHNXCESA-N 1 1 280.387 3.055 20 10 CGCDMO CCC(F)(F)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000700170390 799868997 /nfs/dbraw/zinc/86/89/97/799868997.db2.gz YJRGVPAGSIXHMS-SECBINFHSA-N 1 1 259.296 3.097 20 10 CGCDMO CC(C)O[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000701717410 799893085 /nfs/dbraw/zinc/89/30/85/799893085.db2.gz AGFDNTLGKGUUHI-ZDUSSCGKSA-N 1 1 269.772 3.045 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](OC(C)C)C2)c1O ZINC000701730524 799893274 /nfs/dbraw/zinc/89/32/74/799893274.db2.gz XFVVAXHEDWYPRQ-CYBMUJFWSA-N 1 1 299.798 3.054 20 10 CGCDMO CCC[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000708479817 799990140 /nfs/dbraw/zinc/99/01/40/799990140.db2.gz AGXPWLCZGROYDE-LBPRGKRZSA-N 1 1 277.364 3.133 20 10 CGCDMO CCc1cccc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)c1O ZINC000709022353 800001093 /nfs/dbraw/zinc/00/10/93/800001093.db2.gz VXQNVNHKKSLFBC-HNNXBMFYSA-N 1 1 277.408 3.202 20 10 CGCDMO C[N@@H+](Cc1ccncc1)Cc1ccc(N2CCCC2)cc1 ZINC001116590417 802383085 /nfs/dbraw/zinc/38/30/85/802383085.db2.gz UDPUJXQIHAGADJ-UHFFFAOYSA-N 1 1 281.403 3.314 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@](CO)(C(C)C)C2)cc1Cl ZINC001118577347 802585691 /nfs/dbraw/zinc/58/56/91/802585691.db2.gz DJSBMVGOEOTQKT-INIZCTEOSA-N 1 1 297.826 3.194 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCOC12CCCC2 ZINC001120071952 802732912 /nfs/dbraw/zinc/73/29/12/802732912.db2.gz PRUJKQJMVSANEK-CQSZACIVSA-N 1 1 299.773 3.376 20 10 CGCDMO CCSCC[C@H](C)[N@@H+](C)Cc1ccc(N)cc1 ZINC001120262817 802737391 /nfs/dbraw/zinc/73/73/91/802737391.db2.gz DTTWWGQQVZHOHC-LBPRGKRZSA-N 1 1 252.427 3.232 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)Cc2ccc(C)nc2)c1O ZINC001203615317 812406485 /nfs/dbraw/zinc/40/64/85/812406485.db2.gz QMCPROCLLCMIMH-UHFFFAOYSA-N 1 1 286.375 3.126 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC[C@@H](CSC)C2)c(O)c1 ZINC001205998652 813159418 /nfs/dbraw/zinc/15/94/18/813159418.db2.gz ORNBDTZRLMJWLM-CYBMUJFWSA-N 1 1 295.448 3.284 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cncc(Cl)c2)cc1 ZINC001136997568 803668776 /nfs/dbraw/zinc/66/87/76/803668776.db2.gz FMFRTCXBBIVONK-UHFFFAOYSA-N 1 1 289.810 3.433 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC001137831628 803778510 /nfs/dbraw/zinc/77/85/10/803778510.db2.gz HZGBTRVFXHOUIB-HNNXBMFYSA-N 1 1 272.323 3.263 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC001137831628 803778518 /nfs/dbraw/zinc/77/85/18/803778518.db2.gz HZGBTRVFXHOUIB-HNNXBMFYSA-N 1 1 272.323 3.263 20 10 CGCDMO Cc1cc(C[N@H+]2CCOC[C@@H]2C)c(C)n1-c1ccccc1 ZINC001137854369 803785634 /nfs/dbraw/zinc/78/56/34/803785634.db2.gz SRUBWSWQDJYSQO-HNNXBMFYSA-N 1 1 284.403 3.315 20 10 CGCDMO Cc1cc(C[N@@H+]2CCOC[C@@H]2C)c(C)n1-c1ccccc1 ZINC001137854369 803785640 /nfs/dbraw/zinc/78/56/40/803785640.db2.gz SRUBWSWQDJYSQO-HNNXBMFYSA-N 1 1 284.403 3.315 20 10 CGCDMO Cc1cccc2c1C[N@H+](Cc1cccc(F)c1O)C2 ZINC001138122616 803862235 /nfs/dbraw/zinc/86/22/35/803862235.db2.gz PYHWJRWBESSECF-UHFFFAOYSA-N 1 1 257.308 3.356 20 10 CGCDMO Cc1cccc2c1C[N@@H+](Cc1cccc(F)c1O)C2 ZINC001138122616 803862240 /nfs/dbraw/zinc/86/22/40/803862240.db2.gz PYHWJRWBESSECF-UHFFFAOYSA-N 1 1 257.308 3.356 20 10 CGCDMO Cc1c(C[N@H+]2CCc3cnccc3C2)c2ccccc2n1C ZINC001138252485 803879506 /nfs/dbraw/zinc/87/95/06/803879506.db2.gz INQRPCDKOOGTOZ-UHFFFAOYSA-N 1 1 291.398 3.440 20 10 CGCDMO COC[C@H]1CCC[N@H+]1Cc1c(C)n(C)c2ccccc21 ZINC001138252275 803879909 /nfs/dbraw/zinc/87/99/09/803879909.db2.gz AFXVAXXWNOJZEU-CQSZACIVSA-N 1 1 272.392 3.098 20 10 CGCDMO Cc1c(C[N@H+]2CCCC(=O)CC2)c2ccccc2n1C ZINC001138253788 803881643 /nfs/dbraw/zinc/88/16/43/803881643.db2.gz GQGDVECXXYGZHW-UHFFFAOYSA-N 1 1 270.376 3.042 20 10 CGCDMO Cc1cc(C[N@H+](C)Cc2c(C)n(C)c3ccccc32)n(C)n1 ZINC001138256902 803881688 /nfs/dbraw/zinc/88/16/88/803881688.db2.gz OUSDHOCUSHCYFN-UHFFFAOYSA-N 1 1 296.418 3.161 20 10 CGCDMO Cc1cc(C[N@@H+](C)Cc2c(C)n(C)c3ccccc32)n(C)n1 ZINC001138256902 803881696 /nfs/dbraw/zinc/88/16/96/803881696.db2.gz OUSDHOCUSHCYFN-UHFFFAOYSA-N 1 1 296.418 3.161 20 10 CGCDMO CCCO[C@@H]1CC[N@@H+](Cc2c(C)n(C)c3ccccc32)C1 ZINC001138257006 803883174 /nfs/dbraw/zinc/88/31/74/803883174.db2.gz RUAMBRVOJLJHHC-OAHLLOKOSA-N 1 1 286.419 3.488 20 10 CGCDMO CC[N@H+]1CCN(Cc2c3ccccc3n(C)c2C)C[C@H]1C ZINC001138260870 803887175 /nfs/dbraw/zinc/88/71/75/803887175.db2.gz VJROPKFXBZUZAO-CQSZACIVSA-N 1 1 285.435 3.013 20 10 CGCDMO CCN1CC[N@H+](Cc2c3ccccc3n(C)c2C)C[C@H]1C ZINC001138260870 803887185 /nfs/dbraw/zinc/88/71/85/803887185.db2.gz VJROPKFXBZUZAO-CQSZACIVSA-N 1 1 285.435 3.013 20 10 CGCDMO CCN1CC[N@@H+](Cc2c3ccccc3n(C)c2C)C[C@H]1C ZINC001138260870 803887194 /nfs/dbraw/zinc/88/71/94/803887194.db2.gz VJROPKFXBZUZAO-CQSZACIVSA-N 1 1 285.435 3.013 20 10 CGCDMO CN1CCCc2cc(C[N@@H+](C)CC3CCC3)ccc21 ZINC001138356064 803900664 /nfs/dbraw/zinc/90/06/64/803900664.db2.gz AFDWKDSGSXHRQD-UHFFFAOYSA-N 1 1 258.409 3.301 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CCC[C@H]4C[C@H]43)ccc21 ZINC001138359224 803902520 /nfs/dbraw/zinc/90/25/20/803902520.db2.gz OAWAWZRRQQMUBI-DOTOQJQBSA-N 1 1 256.393 3.053 20 10 CGCDMO Cn1ccc2c1cccc2C[N@H+]1CCc2cccc(O)c2C1 ZINC001139162455 804146534 /nfs/dbraw/zinc/14/65/34/804146534.db2.gz TUIVVBOFIKYQBK-UHFFFAOYSA-N 1 1 292.382 3.442 20 10 CGCDMO Cc1cc(C[N@H+]2CCCC[C@H](F)C2)ccc1N(C)C ZINC001139669678 804245867 /nfs/dbraw/zinc/24/58/67/804245867.db2.gz GVHJYZCABUAVEY-HNNXBMFYSA-N 1 1 264.388 3.385 20 10 CGCDMO Cc1cc(C[N@H+](CCCCCO)C(C)C)ccc1N(C)C ZINC001139673218 804247664 /nfs/dbraw/zinc/24/76/64/804247664.db2.gz DFIOMVMRZYVUGY-UHFFFAOYSA-N 1 1 292.467 3.434 20 10 CGCDMO CN(C)c1ccc(CN[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc1 ZINC001246307902 804271631 /nfs/dbraw/zinc/27/16/31/804271631.db2.gz FLYWXVXOYCBNKP-WBVHZDCISA-N 1 1 289.467 3.009 20 10 CGCDMO Cc1ccc2c(c1)C[N@H+](Cc1cc(F)ccc1O)CC2 ZINC001140057716 804366079 /nfs/dbraw/zinc/36/60/79/804366079.db2.gz LDOWJHAFPNHYAY-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c1O ZINC001140179400 804396311 /nfs/dbraw/zinc/39/63/11/804396311.db2.gz JRUGNPDMRBCHDJ-MRXNPFEDSA-N 1 1 298.386 3.057 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC001140467576 804442967 /nfs/dbraw/zinc/44/29/67/804442967.db2.gz YGRGNZXKCUDANZ-CYBMUJFWSA-N 1 1 288.778 3.430 20 10 CGCDMO OCC[N@@H+](Cc1cccs1)Cc1ccc(Cl)cc1O ZINC001140466700 804443226 /nfs/dbraw/zinc/44/32/26/804443226.db2.gz LGULWNMIOABOML-UHFFFAOYSA-N 1 1 297.807 3.102 20 10 CGCDMO [O-]c1cc(F)cc(F)c1C[N@H+]1CCCCC12CC2 ZINC001140584586 804468748 /nfs/dbraw/zinc/46/87/48/804468748.db2.gz XSVZBCDZQMJDBQ-UHFFFAOYSA-N 1 1 253.292 3.189 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@](C)(F)C2)c1 ZINC001140619450 804476648 /nfs/dbraw/zinc/47/66/48/804476648.db2.gz DDTKNMQIGYINOJ-HNNXBMFYSA-N 1 1 251.345 3.415 20 10 CGCDMO Cc1ccc(O)c(C[NH+]2CC(Oc3ccc(F)cc3)C2)c1 ZINC001140622976 804476750 /nfs/dbraw/zinc/47/67/50/804476750.db2.gz JOJYMASOSPYMNB-UHFFFAOYSA-N 1 1 287.334 3.103 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](Cc2ccco2)C2CC2)c1 ZINC001140623668 804476871 /nfs/dbraw/zinc/47/68/71/804476871.db2.gz OSMVGBRJFJEJOS-UHFFFAOYSA-N 1 1 257.333 3.458 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCOC[C@H]2Cc2ccccc2)c1 ZINC001140622823 804476879 /nfs/dbraw/zinc/47/68/79/804476879.db2.gz AATXUIQGEOQMOJ-GOSISDBHSA-N 1 1 297.398 3.144 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](Oc3cccc(C)n3)C2)c1 ZINC001140624524 804477620 /nfs/dbraw/zinc/47/76/20/804477620.db2.gz ZSVGXKXBEMNWFY-MRXNPFEDSA-N 1 1 298.386 3.057 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c1O ZINC001140744436 804502621 /nfs/dbraw/zinc/50/26/21/804502621.db2.gz XFCYNWZCNYIDJZ-OLZOCXBDSA-N 1 1 261.365 3.028 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CCC[C@H]2c2ccccn2)c1O ZINC001140746064 804502831 /nfs/dbraw/zinc/50/28/31/804502831.db2.gz UHFVHPWBIFWUTG-HNNXBMFYSA-N 1 1 284.359 3.138 20 10 CGCDMO Cc1c(O)ccc(C[N@@H+](C)CCc2ccccc2F)c1O ZINC001140749742 804504311 /nfs/dbraw/zinc/50/43/11/804504311.db2.gz LJAZTUQIHVXZDW-UHFFFAOYSA-N 1 1 289.350 3.220 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2Cl)[C@@H](C)C1 ZINC001140927519 804550563 /nfs/dbraw/zinc/55/05/63/804550563.db2.gz SWFCOBINNGCTQN-SWLSCSKDSA-N 1 1 296.842 3.405 20 10 CGCDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140926747 804550929 /nfs/dbraw/zinc/55/09/29/804550929.db2.gz SYHPRGFYSPYXGN-CQSZACIVSA-N 1 1 282.815 3.017 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)c(O)c1 ZINC001140948690 804556049 /nfs/dbraw/zinc/55/60/49/804556049.db2.gz VSAHRZPKCDXNCT-LSDHHAIUSA-N 1 1 273.376 3.034 20 10 CGCDMO Cc1ccc(C[N@H+]2CCCC[C@](C)(F)C2)c(O)c1 ZINC001140947804 804556848 /nfs/dbraw/zinc/55/68/48/804556848.db2.gz GJCLITMOIBMGAM-HNNXBMFYSA-N 1 1 251.345 3.415 20 10 CGCDMO Cc1ccc(C[N@H+]2CCOC[C@@H]2C2CCCCC2)c(O)c1 ZINC001140954246 804558978 /nfs/dbraw/zinc/55/89/78/804558978.db2.gz NVNPFMXEFFTIBE-QGZVFWFLSA-N 1 1 289.419 3.482 20 10 CGCDMO C[C@@H]1CCC[N@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074596 804586002 /nfs/dbraw/zinc/58/60/02/804586002.db2.gz NJBDGIHKJCWLNW-CQSZACIVSA-N 1 1 270.420 3.370 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2cccs2)c1 ZINC001141158662 804600633 /nfs/dbraw/zinc/60/06/33/804600633.db2.gz ITAGFRVVXJDIGB-CYBMUJFWSA-N 1 1 275.373 3.496 20 10 CGCDMO C[N@H+](Cc1cccc(F)c1)Cc1cc(F)c(F)cc1O ZINC001142509043 804727946 /nfs/dbraw/zinc/72/79/46/804727946.db2.gz UZAFHEAKONRFJD-UHFFFAOYSA-N 1 1 281.277 3.442 20 10 CGCDMO C[N@@H+](Cc1cccc(F)c1)Cc1cc(F)c(F)cc1O ZINC001142509043 804727951 /nfs/dbraw/zinc/72/79/51/804727951.db2.gz UZAFHEAKONRFJD-UHFFFAOYSA-N 1 1 281.277 3.442 20 10 CGCDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142524863 804731863 /nfs/dbraw/zinc/73/18/63/804731863.db2.gz NPGWFCMZQUDYSX-AWEZNQCLSA-N 1 1 285.334 3.060 20 10 CGCDMO COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142524863 804731867 /nfs/dbraw/zinc/73/18/67/804731867.db2.gz NPGWFCMZQUDYSX-AWEZNQCLSA-N 1 1 285.334 3.060 20 10 CGCDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142524863 804731868 /nfs/dbraw/zinc/73/18/68/804731868.db2.gz NPGWFCMZQUDYSX-AWEZNQCLSA-N 1 1 285.334 3.060 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc3nccn3c2)cc1 ZINC001143034203 804799068 /nfs/dbraw/zinc/79/90/68/804799068.db2.gz ZPDRSQMGRABDTM-UHFFFAOYSA-N 1 1 294.402 3.032 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CCC[C@@H](O)CC2)c1O ZINC001143103784 804802591 /nfs/dbraw/zinc/80/25/91/804802591.db2.gz KEBJIWWVTZNVQA-CQSZACIVSA-N 1 1 277.408 3.037 20 10 CGCDMO CC(=O)[C@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143112018 804802834 /nfs/dbraw/zinc/80/28/34/804802834.db2.gz IYLMQVUWQLIASS-ZDUSSCGKSA-N 1 1 275.392 3.101 20 10 CGCDMO C[N@@H+](Cc1ccncn1)Cc1cccc(C(C)(C)C)c1O ZINC001143116414 804803612 /nfs/dbraw/zinc/80/36/12/804803612.db2.gz ALFNXPVQOCLIKM-UHFFFAOYSA-N 1 1 285.391 3.112 20 10 CGCDMO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1nc(C)cc(C)n1 ZINC001248983705 805067575 /nfs/dbraw/zinc/06/75/75/805067575.db2.gz ZUZBJXWUQQQXHL-UHFFFAOYSA-N 1 1 298.434 3.182 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1nc(C)cc(C)n1 ZINC001248983705 805067586 /nfs/dbraw/zinc/06/75/86/805067586.db2.gz ZUZBJXWUQQQXHL-UHFFFAOYSA-N 1 1 298.434 3.182 20 10 CGCDMO COc1ccccc1C[C@H](C)[N@H+]1CCc2cccc(O)c2C1 ZINC001258894587 807667605 /nfs/dbraw/zinc/66/76/05/807667605.db2.gz DQAUDANLCQQDQM-AWEZNQCLSA-N 1 1 297.398 3.390 20 10 CGCDMO CC[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCCOC1 ZINC001261509198 807753453 /nfs/dbraw/zinc/75/34/53/807753453.db2.gz LZZBZALLGJBPTP-SFHVURJKSA-N 1 1 288.435 3.288 20 10 CGCDMO C[C@@H]1CC[C@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001170147618 807775157 /nfs/dbraw/zinc/77/51/57/807775157.db2.gz DFWOMHGQJISLMO-RISCZKNCSA-N 1 1 261.365 3.035 20 10 CGCDMO COc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1C ZINC001172118234 808181612 /nfs/dbraw/zinc/18/16/12/808181612.db2.gz PMXBONOJJNUYNZ-OSYLJGHBSA-N 1 1 288.435 3.109 20 10 CGCDMO COc1ccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1C ZINC001172118234 808181617 /nfs/dbraw/zinc/18/16/17/808181617.db2.gz PMXBONOJJNUYNZ-OSYLJGHBSA-N 1 1 288.435 3.109 20 10 CGCDMO COc1ccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C ZINC001172118234 808181623 /nfs/dbraw/zinc/18/16/23/808181623.db2.gz PMXBONOJJNUYNZ-OSYLJGHBSA-N 1 1 288.435 3.109 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172240549 808207766 /nfs/dbraw/zinc/20/77/66/808207766.db2.gz MSUMXADKZLYIBN-YQQQUEKLSA-N 1 1 298.430 3.205 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@H]1CCC[C@@H](OC)C1 ZINC001172946190 808493247 /nfs/dbraw/zinc/49/32/47/808493247.db2.gz SMOODFKUHVVXPN-LSDHHAIUSA-N 1 1 263.381 3.172 20 10 CGCDMO CCCC[N@H+](C)C[C@H](C)NCc1ccc2c(c1)CCCO2 ZINC001178841101 809890548 /nfs/dbraw/zinc/89/05/48/809890548.db2.gz YNIKGKVOEUDEJH-HNNXBMFYSA-N 1 1 290.451 3.222 20 10 CGCDMO CCCC[N@@H+](C)C[C@H](C)NCc1ccc2c(c1)CCCO2 ZINC001178841101 809890555 /nfs/dbraw/zinc/89/05/55/809890555.db2.gz YNIKGKVOEUDEJH-HNNXBMFYSA-N 1 1 290.451 3.222 20 10 CGCDMO CC[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC001179935976 809960813 /nfs/dbraw/zinc/96/08/13/809960813.db2.gz FRRIAICIOTXDHS-ZDUSSCGKSA-N 1 1 293.407 3.422 20 10 CGCDMO C[N@@H+](Cc1cc2cnccc2o1)Cc1ccccc1O ZINC001180240520 809985440 /nfs/dbraw/zinc/98/54/40/809985440.db2.gz ZOAFNEPCWCUHQV-UHFFFAOYSA-N 1 1 268.316 3.165 20 10 CGCDMO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC001180531764 810009420 /nfs/dbraw/zinc/00/94/20/810009420.db2.gz JQJXVFLBBDGIFR-WCQYABFASA-N 1 1 283.799 3.353 20 10 CGCDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC001180531764 810009425 /nfs/dbraw/zinc/00/94/25/810009425.db2.gz JQJXVFLBBDGIFR-WCQYABFASA-N 1 1 283.799 3.353 20 10 CGCDMO Cc1ccncc1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC001202514340 812112678 /nfs/dbraw/zinc/11/26/78/812112678.db2.gz WUHBVVJZNGCTJD-UHFFFAOYSA-N 1 1 280.730 3.178 20 10 CGCDMO CCc1cc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)on1 ZINC001203225677 812272142 /nfs/dbraw/zinc/27/21/42/812272142.db2.gz VCGXRBSXUMHQGL-UHFFFAOYSA-N 1 1 299.418 3.469 20 10 CGCDMO CCc1cc(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)on1 ZINC001203225677 812272146 /nfs/dbraw/zinc/27/21/46/812272146.db2.gz VCGXRBSXUMHQGL-UHFFFAOYSA-N 1 1 299.418 3.469 20 10 CGCDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2O)cn1 ZINC001203558712 812392868 /nfs/dbraw/zinc/39/28/68/812392868.db2.gz XLVIBEREDJPAOV-MRXNPFEDSA-N 1 1 268.360 3.433 20 10 CGCDMO Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccccc3O)C2)n1 ZINC001203562011 812394810 /nfs/dbraw/zinc/39/48/10/812394810.db2.gz AUXMWYGNRSBKLP-INIZCTEOSA-N 1 1 298.386 3.139 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@H](C)C(F)(F)CC2)c1O ZINC001203585635 812400410 /nfs/dbraw/zinc/40/04/10/812400410.db2.gz RDGVKUQYPDUOJK-NSHDSACASA-N 1 1 285.334 3.268 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c1O ZINC001203603954 812405259 /nfs/dbraw/zinc/40/52/59/812405259.db2.gz XUPQGHNVTOGWHN-KGLIPLIRSA-N 1 1 275.392 3.413 20 10 CGCDMO CO[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)C[C@@H]21 ZINC001203658415 812419374 /nfs/dbraw/zinc/41/93/74/812419374.db2.gz LMFRDRLAZBNDAW-DIOULYMOSA-N 1 1 295.810 3.293 20 10 CGCDMO CCc1ccc(C[N@@H+](C)Cc2ccc(O)c(O)c2)cc1 ZINC001203878555 812478946 /nfs/dbraw/zinc/47/89/46/812478946.db2.gz CCZZHJXZEYCLLK-UHFFFAOYSA-N 1 1 271.360 3.292 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCc3cccnc3C2)cc1 ZINC001203943392 812498621 /nfs/dbraw/zinc/49/86/21/812498621.db2.gz YXWXLFGBKJIVSQ-UHFFFAOYSA-N 1 1 295.430 3.486 20 10 CGCDMO C[N@@H+](CCc1ccccc1Cl)Cc1ccc(O)cc1O ZINC001204278770 812594569 /nfs/dbraw/zinc/59/45/69/812594569.db2.gz JTBLDHDRUHRJHY-UHFFFAOYSA-N 1 1 291.778 3.426 20 10 CGCDMO C[N@@H+](Cc1ccc(O)cc1O)Cc1ccccc1Cl ZINC001204275044 812595084 /nfs/dbraw/zinc/59/50/84/812595084.db2.gz MHOJPIKMMFRPER-UHFFFAOYSA-N 1 1 277.751 3.383 20 10 CGCDMO C[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H]1CCCCO1 ZINC001204326947 812614636 /nfs/dbraw/zinc/61/46/36/812614636.db2.gz JOTSZRAVAFBVRP-SFHVURJKSA-N 1 1 288.435 3.288 20 10 CGCDMO CCCC[N@@H+](CCC)Cc1cc(O)c(O)c(OC)c1 ZINC001204343103 812616056 /nfs/dbraw/zinc/61/60/56/812616056.db2.gz PFXRNCHAXUOVMG-UHFFFAOYSA-N 1 1 267.369 3.119 20 10 CGCDMO C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001205083736 812852913 /nfs/dbraw/zinc/85/29/13/812852913.db2.gz YLUHHOKZGYLXDF-WFASDCNBSA-N 1 1 276.424 3.001 20 10 CGCDMO C[C@H]1CC[C@@H](CN)[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001205083736 812852922 /nfs/dbraw/zinc/85/29/22/812852922.db2.gz YLUHHOKZGYLXDF-WFASDCNBSA-N 1 1 276.424 3.001 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCCCC[C@@H]2CO)c1 ZINC001206514215 813339733 /nfs/dbraw/zinc/33/97/33/813339733.db2.gz NMAOEFBNBDTUHS-MRXNPFEDSA-N 1 1 277.408 3.253 20 10 CGCDMO [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001206633612 813381295 /nfs/dbraw/zinc/38/12/95/813381295.db2.gz ZCWLQFBNMOVWLJ-CQSZACIVSA-N 1 1 284.403 3.106 20 10 CGCDMO [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001206633612 813381303 /nfs/dbraw/zinc/38/13/03/813381303.db2.gz ZCWLQFBNMOVWLJ-CQSZACIVSA-N 1 1 284.403 3.106 20 10 CGCDMO [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001206633612 813381309 /nfs/dbraw/zinc/38/13/09/813381309.db2.gz ZCWLQFBNMOVWLJ-CQSZACIVSA-N 1 1 284.403 3.106 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cc(C)ccn1 ZINC001206854455 813453796 /nfs/dbraw/zinc/45/37/96/813453796.db2.gz ZPHUYSKBOFBTFD-UHFFFAOYSA-N 1 1 283.419 3.478 20 10 CGCDMO CN(C)c1ccc(CN(C)Cc2[nH+]cc3ccccn32)cc1 ZINC001207054224 813475169 /nfs/dbraw/zinc/47/51/69/813475169.db2.gz IAJIGSDUNGHRQJ-UHFFFAOYSA-N 1 1 294.402 3.032 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@@H](C)C[C@H]2CO)cc1 ZINC001209516205 814071385 /nfs/dbraw/zinc/07/13/85/814071385.db2.gz CPQZFDZFONAEJW-LIRRHRJNSA-N 1 1 298.430 3.297 20 10 CGCDMO COC(=O)[C@@H]1CCCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC001231587321 818129387 /nfs/dbraw/zinc/12/93/87/818129387.db2.gz VLXMJXSBIFEBIU-INIZCTEOSA-N 1 1 299.370 3.073 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CC[C@]1(C)O ZINC001231586702 818130160 /nfs/dbraw/zinc/13/01/60/818130160.db2.gz LACNTBVLZSMNJU-UGSOOPFHSA-N 1 1 285.387 3.138 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CC[C@]1(C)O ZINC001231586697 818130236 /nfs/dbraw/zinc/13/02/36/818130236.db2.gz LACNTBVLZSMNJU-ACJLOTCBSA-N 1 1 285.387 3.138 20 10 CGCDMO Oc1ccc2ccccc2c1CN1CC([NH+]2CCCCC2)C1 ZINC001231590505 818131835 /nfs/dbraw/zinc/13/18/35/818131835.db2.gz FIMWEVLPJVCLHE-UHFFFAOYSA-N 1 1 296.414 3.216 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2C[C@@H](C)C[C@H]2CF)c(O)c1 ZINC001231843004 818185956 /nfs/dbraw/zinc/18/59/56/818185956.db2.gz RSNUKRVSRQWPQX-AAEUAGOBSA-N 1 1 251.345 3.189 20 10 CGCDMO Cc1cc(C)c(C[N@H+](C)C2CC(F)(F)C2)c(O)c1 ZINC001231842470 818186411 /nfs/dbraw/zinc/18/64/11/818186411.db2.gz NCAPTYWEWLSOFQ-UHFFFAOYSA-N 1 1 255.308 3.239 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCC[C@@H]2c2cnccn2)c(O)c1 ZINC001231846723 818187258 /nfs/dbraw/zinc/18/72/58/818187258.db2.gz OFJANPBCHOOLTC-MRXNPFEDSA-N 1 1 283.375 3.136 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@@H](c3ccccn3)C2)c(O)c1 ZINC001231845722 818187327 /nfs/dbraw/zinc/18/73/27/818187327.db2.gz REFOBWOCTBKCEW-OAHLLOKOSA-N 1 1 282.387 3.394 20 10 CGCDMO Oc1c(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)ccc2ccccc21 ZINC001231879868 818198967 /nfs/dbraw/zinc/19/89/67/818198967.db2.gz SYQKWPOLFBWQLX-BPUTZDHNSA-N 1 1 271.335 3.335 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CCC[C@@H]1O ZINC001231879468 818199760 /nfs/dbraw/zinc/19/97/60/818199760.db2.gz DFOBDEGHGVBPCJ-GUYCJALGSA-N 1 1 285.387 3.138 20 10 CGCDMO O=C1CCC[C@H]2C[N@H+](Cc3ccc4ccccc4c3O)C[C@H]12 ZINC001231883180 818201669 /nfs/dbraw/zinc/20/16/69/818201669.db2.gz HAUPDBDYVGRNKC-YOEHRIQHSA-N 1 1 295.382 3.346 20 10 CGCDMO CN1CCC[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3O)C[C@H]21 ZINC001231883553 818201775 /nfs/dbraw/zinc/20/17/75/818201775.db2.gz OXLSRUDHLFYCNR-CRAIPNDOSA-N 1 1 296.414 3.071 20 10 CGCDMO Oc1c(C[N@H+]2CCc3ncccc3C2)ccc2ccccc21 ZINC001231883084 818202712 /nfs/dbraw/zinc/20/27/12/818202712.db2.gz XPOCOGPXZJFWDS-UHFFFAOYSA-N 1 1 290.366 3.499 20 10 CGCDMO COCC[C@H]1CCCC[N@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232261390 818295615 /nfs/dbraw/zinc/29/56/15/818295615.db2.gz GFKFWYYXKCYYRC-GFCCVEGCSA-N 1 1 299.798 3.142 20 10 CGCDMO C[N@H+](Cc1cc(Cl)c(O)cc1O)CC1CCCC1 ZINC001232262802 818297728 /nfs/dbraw/zinc/29/77/28/818297728.db2.gz QNYIXXXWEZMKKT-UHFFFAOYSA-N 1 1 269.772 3.373 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@](C)(F)C2)c(O)c1 ZINC001232835396 818452495 /nfs/dbraw/zinc/45/24/95/818452495.db2.gz BOWBAYXZVHNUTR-MRXNPFEDSA-N 1 1 280.387 3.172 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)ccc2O)CCC1=O ZINC001233284271 818568550 /nfs/dbraw/zinc/56/85/50/818568550.db2.gz OCVUQAADJADYEA-GFCCVEGCSA-N 1 1 275.392 3.101 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)ccc2O)CCC1=O ZINC001233284271 818568559 /nfs/dbraw/zinc/56/85/59/818568559.db2.gz OCVUQAADJADYEA-GFCCVEGCSA-N 1 1 275.392 3.101 20 10 CGCDMO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1c(O)ccc(F)c1F ZINC001233331900 818581562 /nfs/dbraw/zinc/58/15/62/818581562.db2.gz PITSIUXWPBEPFQ-AOOOYVTPSA-N 1 1 255.308 3.433 20 10 CGCDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1c(O)ccc(F)c1F ZINC001233331900 818581567 /nfs/dbraw/zinc/58/15/67/818581567.db2.gz PITSIUXWPBEPFQ-AOOOYVTPSA-N 1 1 255.308 3.433 20 10 CGCDMO C[N@@H+](Cc1ccccn1)Cc1ccc(C(F)(F)F)cc1O ZINC001233451337 818623563 /nfs/dbraw/zinc/62/35/63/818623563.db2.gz GZWYIUVLPCZVEY-UHFFFAOYSA-N 1 1 296.292 3.438 20 10 CGCDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1O)C1CCOCC1 ZINC001233451284 818623801 /nfs/dbraw/zinc/62/38/01/818623801.db2.gz FGUXLKCMTUKXNY-UHFFFAOYSA-N 1 1 289.297 3.022 20 10 CGCDMO Cc1ccccc1[C@H]1CCC[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233483491 818625401 /nfs/dbraw/zinc/62/54/01/818625401.db2.gz AUYLUIMTPWKTTH-OAHLLOKOSA-N 1 1 299.370 3.449 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C[C@@H]1O ZINC001235000914 818974696 /nfs/dbraw/zinc/97/46/96/818974696.db2.gz KXUILUPNMLIIHF-KDOFPFPSSA-N 1 1 297.398 3.262 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2O)CC[C@@]1(C)O ZINC001235674884 819135209 /nfs/dbraw/zinc/13/52/09/819135209.db2.gz HVYHXXATSWLEQM-FZKQIMNGSA-N 1 1 291.435 3.283 20 10 CGCDMO CN(C)C[C@@H]1CCC[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235686018 819142664 /nfs/dbraw/zinc/14/26/64/819142664.db2.gz WOCVMXSGXMHMIJ-INIZCTEOSA-N 1 1 290.451 3.216 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](CC)C2CC[NH2+]CC2)cc1 ZINC001235759849 819161663 /nfs/dbraw/zinc/16/16/63/819161663.db2.gz CDDUIELUJORTQF-UHFFFAOYSA-N 1 1 289.467 3.107 20 10 CGCDMO CC[C@@H]1CNCC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001235768639 819163901 /nfs/dbraw/zinc/16/39/01/819163901.db2.gz ITGFWKLQDSPMPN-MRXNPFEDSA-N 1 1 297.446 3.090 20 10 CGCDMO CC[C@@H]1CNCC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001235768639 819163907 /nfs/dbraw/zinc/16/39/07/819163907.db2.gz ITGFWKLQDSPMPN-MRXNPFEDSA-N 1 1 297.446 3.090 20 10 CGCDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(N)cc1 ZINC001236072360 819300813 /nfs/dbraw/zinc/30/08/13/819300813.db2.gz SNDMSQCRZFZAPX-CYBMUJFWSA-N 1 1 252.361 3.216 20 10 CGCDMO CCC[C@@H]1CNCC[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001236132497 819335288 /nfs/dbraw/zinc/33/52/88/819335288.db2.gz KKPBNIOAVFIMPE-OAHLLOKOSA-N 1 1 290.451 3.264 20 10 CGCDMO CCC[C@@H]1CNCC[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001236132497 819335292 /nfs/dbraw/zinc/33/52/92/819335292.db2.gz KKPBNIOAVFIMPE-OAHLLOKOSA-N 1 1 290.451 3.264 20 10 CGCDMO [O-]c1c(F)cccc1C[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236653212 819563183 /nfs/dbraw/zinc/56/31/83/819563183.db2.gz PIAWVYJYFCRFLH-OAHLLOKOSA-N 1 1 292.398 3.028 20 10 CGCDMO Oc1c(F)cccc1CN([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236653212 819563189 /nfs/dbraw/zinc/56/31/89/819563189.db2.gz PIAWVYJYFCRFLH-OAHLLOKOSA-N 1 1 292.398 3.028 20 10 CGCDMO CCc1ccc(C[N@H+]2CCCC[C@H]2CCOC)c(O)c1 ZINC001236790917 819594638 /nfs/dbraw/zinc/59/46/38/819594638.db2.gz YSKCQHZODSRCPN-INIZCTEOSA-N 1 1 277.408 3.346 20 10 CGCDMO CCc1ccc(C[N@H+]2CCC[C@H]2c2ncccn2)c(O)c1 ZINC001236787879 819595941 /nfs/dbraw/zinc/59/59/41/819595941.db2.gz LUHCSXCXEBJHQT-HNNXBMFYSA-N 1 1 283.375 3.082 20 10 CGCDMO CCc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001236794424 819597907 /nfs/dbraw/zinc/59/79/07/819597907.db2.gz MLBAALMZIXQLAK-GFCCVEGCSA-N 1 1 273.298 3.339 20 10 CGCDMO CO[C@@H]1CCC[N@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236792557 819598156 /nfs/dbraw/zinc/59/81/56/819598156.db2.gz FCNNHMCNNKJXKE-SNVBAGLBSA-N 1 1 290.190 3.310 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236792557 819598159 /nfs/dbraw/zinc/59/81/59/819598159.db2.gz FCNNHMCNNKJXKE-SNVBAGLBSA-N 1 1 290.190 3.310 20 10 CGCDMO CCc1ccc(C[N@H+]2CC[C@H](N3CCCCC3)C2)c(O)c1 ZINC001236795280 819598419 /nfs/dbraw/zinc/59/84/19/819598419.db2.gz SYTWYGKGRAZCNE-KRWDZBQOSA-N 1 1 288.435 3.015 20 10 CGCDMO CCc1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)c(O)c1 ZINC001236795280 819598422 /nfs/dbraw/zinc/59/84/22/819598422.db2.gz SYTWYGKGRAZCNE-KRWDZBQOSA-N 1 1 288.435 3.015 20 10 CGCDMO Oc1cc(Cl)c(Cl)cc1C[N@@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001236800035 819599638 /nfs/dbraw/zinc/59/96/38/819599638.db2.gz SFAQOWYDCZUAHE-OWUUHHOZSA-N 1 1 290.165 3.346 20 10 CGCDMO Oc1cc(Cl)c(Cl)cc1C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001236800035 819599644 /nfs/dbraw/zinc/59/96/44/819599644.db2.gz SFAQOWYDCZUAHE-OWUUHHOZSA-N 1 1 290.165 3.346 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)C2CC(C)C2)c(Cl)c1 ZINC001236798468 819600114 /nfs/dbraw/zinc/60/01/14/819600114.db2.gz OOOAWXRRLRRPMV-UHFFFAOYSA-N 1 1 269.772 3.285 20 10 CGCDMO CC[C@H]1CCC[N@H+]1Cc1c(O)cc(OC)cc1Cl ZINC001236798945 819600557 /nfs/dbraw/zinc/60/05/57/819600557.db2.gz JZULLKVDODOKCL-JTQLQIEISA-N 1 1 269.772 3.429 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2O)C[C@@H]1F ZINC001236825648 819607766 /nfs/dbraw/zinc/60/77/66/819607766.db2.gz AVQZIZFUOUMHEO-ABAIWWIYSA-N 1 1 259.324 3.335 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237046160 819651214 /nfs/dbraw/zinc/65/12/14/819651214.db2.gz QVZVXCRNGDJLGY-HNNXBMFYSA-N 1 1 263.381 3.126 20 10 CGCDMO CC(C)c1ccc(CN2CCC[N@H+]3CCC[C@H]3C2)c(O)c1 ZINC001237049010 819651898 /nfs/dbraw/zinc/65/18/98/819651898.db2.gz KPBWKSJVAGWYHI-KRWDZBQOSA-N 1 1 288.435 3.186 20 10 CGCDMO COC(=O)CC[N@@H+](Cc1ccc(C(C)C)cc1O)C1CC1 ZINC001237055787 819655608 /nfs/dbraw/zinc/65/56/08/819655608.db2.gz PKTDDLSCMGASCV-UHFFFAOYSA-N 1 1 291.391 3.043 20 10 CGCDMO Oc1ccc(Cl)c(Cl)c1C[N@H+]1CCCC[C@@H](O)C1 ZINC001237077379 819659845 /nfs/dbraw/zinc/65/98/45/819659845.db2.gz GRTMLHWCMDRTEE-SECBINFHSA-N 1 1 290.190 3.046 20 10 CGCDMO Oc1ccc(Cl)c(Cl)c1C[N@@H+]1CCCC[C@@H](O)C1 ZINC001237077379 819659848 /nfs/dbraw/zinc/65/98/48/819659848.db2.gz GRTMLHWCMDRTEE-SECBINFHSA-N 1 1 290.190 3.046 20 10 CGCDMO COC[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237078577 819662734 /nfs/dbraw/zinc/66/27/34/819662734.db2.gz UVYVIQPGBMUJHW-VIFPVBQESA-N 1 1 290.190 3.167 20 10 CGCDMO COC[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237078577 819662737 /nfs/dbraw/zinc/66/27/37/819662737.db2.gz UVYVIQPGBMUJHW-VIFPVBQESA-N 1 1 290.190 3.167 20 10 CGCDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1c(C)cccc1O ZINC001237487654 819762470 /nfs/dbraw/zinc/76/24/70/819762470.db2.gz JOGOJDZMYJFBIE-OAHLLOKOSA-N 1 1 263.381 3.090 20 10 CGCDMO COCC[C@H]1CCCC[N@H+]1Cc1c(C)cccc1O ZINC001237489671 819763513 /nfs/dbraw/zinc/76/35/13/819763513.db2.gz JPLLFWTZZPILPW-CQSZACIVSA-N 1 1 263.381 3.092 20 10 CGCDMO CC[C@H]1CCC[N@@H+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237677596 819803133 /nfs/dbraw/zinc/80/31/33/819803133.db2.gz FJZCMXZLGMMCLK-LBPRGKRZSA-N 1 1 279.380 3.031 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)c1O ZINC001237680559 819805776 /nfs/dbraw/zinc/80/57/76/819805776.db2.gz DJEGKFRPBPGOGX-SKDRFNHKSA-N 1 1 257.736 3.144 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCCCC23COC3)c1O ZINC001237685290 819807180 /nfs/dbraw/zinc/80/71/80/819807180.db2.gz BTLIUXRVINZNIW-UHFFFAOYSA-N 1 1 281.783 3.109 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCCCC23COC3)c1O ZINC001237685290 819807192 /nfs/dbraw/zinc/80/71/92/819807192.db2.gz BTLIUXRVINZNIW-UHFFFAOYSA-N 1 1 281.783 3.109 20 10 CGCDMO Cc1cc(Cl)cc(CN2CC[C@H]([N@@H+](C)C3CC3)C2)c1O ZINC001237690409 819808416 /nfs/dbraw/zinc/80/84/16/819808416.db2.gz XHLJOAGCZIHYBQ-HNNXBMFYSA-N 1 1 294.826 3.023 20 10 CGCDMO C[N@H+](Cc1cc(F)cc(Cl)c1[O-])C[C@H]1CCCCO1 ZINC001237798434 819844050 /nfs/dbraw/zinc/84/40/50/819844050.db2.gz FKQXBUWGQHFODX-GFCCVEGCSA-N 1 1 287.762 3.186 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c1O ZINC001238063531 819920912 /nfs/dbraw/zinc/92/09/12/819920912.db2.gz YBVIPBZAUCSVNF-CYBMUJFWSA-N 1 1 286.350 3.224 20 10 CGCDMO Cc1cc(F)cc(C[N@@H+](C)Cc2ccccc2)c1O ZINC001238059006 819921094 /nfs/dbraw/zinc/92/10/94/819921094.db2.gz XIAACICQVDFZSA-UHFFFAOYSA-N 1 1 259.324 3.472 20 10 CGCDMO Cc1cc(F)cc(C[N@H+](C)C2CC(F)(F)C2)c1O ZINC001238059019 819921239 /nfs/dbraw/zinc/92/12/39/819921239.db2.gz XYUNRHDJLAVNDV-UHFFFAOYSA-N 1 1 259.271 3.069 20 10 CGCDMO Cc1cnc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c(C)c1 ZINC001238435200 819998438 /nfs/dbraw/zinc/99/84/38/819998438.db2.gz KKSRCVIIGWFSPZ-UHFFFAOYSA-N 1 1 283.419 3.396 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)CCC2CC2)c1O ZINC000389297534 928796191 /nfs/dbraw/zinc/79/61/91/928796191.db2.gz PAYXFBQPPPPHIG-UHFFFAOYSA-N 1 1 281.783 3.480 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCC2CC2)c1O ZINC000389297534 928796197 /nfs/dbraw/zinc/79/61/97/928796197.db2.gz PAYXFBQPPPPHIG-UHFFFAOYSA-N 1 1 281.783 3.480 20 10 CGCDMO Cc1c2ccccc2n(C)c1CN[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001461637404 937590146 /nfs/dbraw/zinc/59/01/46/937590146.db2.gz ZJFLHYDGXXVICO-HNNXBMFYSA-N 1 1 299.462 3.449 20 10 CGCDMO Cc1c2ccccc2n(C)c1CN[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001461637404 937590148 /nfs/dbraw/zinc/59/01/48/937590148.db2.gz ZJFLHYDGXXVICO-HNNXBMFYSA-N 1 1 299.462 3.449 20 10 CGCDMO C[C@H]1[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CCOC1(C)C ZINC001461961448 937608859 /nfs/dbraw/zinc/60/88/59/937608859.db2.gz RGZCJLUFPGIJOQ-LQYUOIDQSA-N 1 1 288.435 3.265 20 10 CGCDMO Cc1nc2c(s1)[C@@H]([NH2+]Cc1cccc(F)c1O)CCC2 ZINC001461990696 937610886 /nfs/dbraw/zinc/61/08/86/937610886.db2.gz YQYHJYKNKRGUPG-LBPRGKRZSA-N 1 1 292.379 3.463 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+]CC[C@@H]1CCCS1 ZINC001462480113 937644413 /nfs/dbraw/zinc/64/44/13/937644413.db2.gz OAEWUUWROMCVGY-JTQLQIEISA-N 1 1 273.348 3.046 20 10 CGCDMO Oc1cc(Cl)ccc1C[NH2+]C[C@]12C[C@H]1CCC2 ZINC001462605453 937653662 /nfs/dbraw/zinc/65/36/62/937653662.db2.gz RRZHMMWAEQXBLI-RISCZKNCSA-N 1 1 251.757 3.325 20 10 CGCDMO CC(C)C[C@H](CNCc1ccc2c(c1)CCCO2)[NH+](C)C ZINC001308193352 933068934 /nfs/dbraw/zinc/06/89/34/933068934.db2.gz VNWCUQMVVRCMTG-QGZVFWFLSA-N 1 1 290.451 3.078 20 10 CGCDMO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NCc1c(O)cccc1Cl ZINC001308221554 933075055 /nfs/dbraw/zinc/07/50/55/933075055.db2.gz CLDPEDDLFPLUJW-QWHCGFSZSA-N 1 1 296.842 3.256 20 10 CGCDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NCc1c(O)cccc1Cl ZINC001308221554 933075061 /nfs/dbraw/zinc/07/50/61/933075061.db2.gz CLDPEDDLFPLUJW-QWHCGFSZSA-N 1 1 296.842 3.256 20 10 CGCDMO CC[C@H](C)[N@@H+](C)CCNCc1c(O)cc(C)cc1Cl ZINC001308240388 933078625 /nfs/dbraw/zinc/07/86/25/933078625.db2.gz PWNHQPSPNNLYTO-LBPRGKRZSA-N 1 1 284.831 3.174 20 10 CGCDMO CC[C@H](C)N(C)CC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC001308240388 933078627 /nfs/dbraw/zinc/07/86/27/933078627.db2.gz PWNHQPSPNNLYTO-LBPRGKRZSA-N 1 1 284.831 3.174 20 10 CGCDMO CC1(C)CO[C@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC001308511708 933123019 /nfs/dbraw/zinc/12/30/19/933123019.db2.gz YQGGPDPREFUPLB-VIFPVBQESA-N 1 1 287.762 3.089 20 10 CGCDMO C[C@@H]1CCSCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001308689651 933158614 /nfs/dbraw/zinc/15/86/14/933158614.db2.gz VRIAZCYYKYRFAJ-SNVBAGLBSA-N 1 1 271.813 3.373 20 10 CGCDMO Oc1c(F)cccc1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC001308966659 933216713 /nfs/dbraw/zinc/21/67/13/933216713.db2.gz XHPWLKYMYGKMNA-OAHLLOKOSA-N 1 1 275.298 3.448 20 10 CGCDMO C[N@@H+](CCCn1ccnc1)Cc1ccc(N2CCCC2)cc1 ZINC001324019770 934449781 /nfs/dbraw/zinc/44/97/81/934449781.db2.gz RTOOZJXLVGHYEA-UHFFFAOYSA-N 1 1 298.434 3.005 20 10 CGCDMO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001324711560 934555224 /nfs/dbraw/zinc/55/52/24/934555224.db2.gz GMAPTSNJZVUUAZ-RDJZCZTQSA-N 1 1 288.435 3.286 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](CCO)CC2)cc1Cl ZINC001328209600 935124695 /nfs/dbraw/zinc/12/46/95/935124695.db2.gz NVJOPERYWRBLAF-CYBMUJFWSA-N 1 1 297.826 3.339 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001329157463 935191068 /nfs/dbraw/zinc/19/10/68/935191068.db2.gz WZFQLPDIHVJSAT-ZBFHGGJFSA-N 1 1 289.467 3.276 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001329157461 935191426 /nfs/dbraw/zinc/19/14/26/935191426.db2.gz WZFQLPDIHVJSAT-HOCLYGCPSA-N 1 1 289.467 3.276 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](CF)C2)cc1C ZINC001333310777 935524578 /nfs/dbraw/zinc/52/45/78/935524578.db2.gz RJMWFRRKYAPVHN-CYBMUJFWSA-N 1 1 251.345 3.191 20 10 CGCDMO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001334327503 936097127 /nfs/dbraw/zinc/09/71/27/936097127.db2.gz RTMJPCRLVCFAPA-QAPCUYQASA-N 1 1 288.435 3.286 20 10 CGCDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc(N)cc1 ZINC001336287092 936186313 /nfs/dbraw/zinc/18/63/13/936186313.db2.gz XJBAZYVKXREWML-PWSUYJOCSA-N 1 1 272.314 3.432 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCc1cc(F)ccc1F ZINC001474033363 937836764 /nfs/dbraw/zinc/83/67/64/937836764.db2.gz IJJPQAOQBQXGJZ-UHFFFAOYSA-N 1 1 299.267 3.281 20 10 CGCDMO C[C@@H](c1ccccc1)[N@@H+](CCO)Cc1cc(F)ccc1O ZINC001474336099 937852743 /nfs/dbraw/zinc/85/27/43/937852743.db2.gz SJXOJSIPBBVDGW-ZDUSSCGKSA-N 1 1 289.350 3.087 20 10 CGCDMO Cc1ccc(C(C)(C)[NH2+]Cc2cc(F)c(F)cc2O)cn1 ZINC001474432352 937859741 /nfs/dbraw/zinc/85/97/41/937859741.db2.gz XVDLSYJGTNVXHZ-UHFFFAOYSA-N 1 1 292.329 3.399 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC001474490911 937862636 /nfs/dbraw/zinc/86/26/36/937862636.db2.gz OFVBRIMHIKYUJV-QGZVFWFLSA-N 1 1 290.451 3.308 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCCc3c(cnn3C)C2)c1 ZINC001474579345 937868604 /nfs/dbraw/zinc/86/86/04/937868604.db2.gz ZHQVBSKAQGINTI-UHFFFAOYSA-N 1 1 299.418 3.198 20 10 CGCDMO Cc1cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)ccc1N1CCCCC1 ZINC001560136190 938244851 /nfs/dbraw/zinc/24/48/51/938244851.db2.gz NALZZBAUQQRPHU-CALCHBBNSA-N 1 1 270.420 3.437 20 10 CGCDMO C[N@@H+](Cc1cc(F)c(F)cc1O)C[C@@H]1CC=CCC1 ZINC001560705710 938271319 /nfs/dbraw/zinc/27/13/19/938271319.db2.gz PPWZHYUZTIANGS-LLVKDONJSA-N 1 1 267.319 3.459 20 10 CGCDMO C[N@H+](Cc1cc(F)c(F)cc1O)C[C@@H]1CC=CCC1 ZINC001560705710 938271320 /nfs/dbraw/zinc/27/13/20/938271320.db2.gz PPWZHYUZTIANGS-LLVKDONJSA-N 1 1 267.319 3.459 20 10 CGCDMO CSCCCCC[NH2+]Cc1cc(F)c(F)cc1O ZINC001560773876 938275078 /nfs/dbraw/zinc/27/50/78/938275078.db2.gz PDJJOMAQWQWKDR-UHFFFAOYSA-N 1 1 275.364 3.293 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@]3(CCOC3)C2)cc1 ZINC000093820740 370161876 /nfs/dbraw/zinc/16/18/76/370161876.db2.gz HLNHSLCJMFGFOI-GOSISDBHSA-N 1 1 288.435 3.145 20 10 CGCDMO COc1ccc(C[NH2+]Cc2noc3c2CCCC3)cc1C ZINC000288440204 371737148 /nfs/dbraw/zinc/73/71/48/371737148.db2.gz LTJLMXOXXQKJRH-UHFFFAOYSA-N 1 1 286.375 3.160 20 10 CGCDMO COC[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295415651 372771597 /nfs/dbraw/zinc/77/15/97/372771597.db2.gz RWOCHSZNWGMPOJ-SNVBAGLBSA-N 1 1 287.762 3.043 20 10 CGCDMO COC[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000295415651 372771600 /nfs/dbraw/zinc/77/16/00/372771600.db2.gz RWOCHSZNWGMPOJ-SNVBAGLBSA-N 1 1 287.762 3.043 20 10 CGCDMO Cc1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)no1 ZINC000298699730 373386888 /nfs/dbraw/zinc/38/68/88/373386888.db2.gz GPFHLVPAODGNAM-UHFFFAOYSA-N 1 1 287.407 3.460 20 10 CGCDMO Cc1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)no1 ZINC000298699730 373386890 /nfs/dbraw/zinc/38/68/90/373386890.db2.gz GPFHLVPAODGNAM-UHFFFAOYSA-N 1 1 287.407 3.460 20 10 CGCDMO CC[N@@H+](Cc1cccs1)Cc1cccc(OC)c1O ZINC000179720683 373910183 /nfs/dbraw/zinc/91/01/83/373910183.db2.gz SGPCRFLANXFYJS-UHFFFAOYSA-N 1 1 277.389 3.484 20 10 CGCDMO COCC1=CC[N@@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000185035422 374579239 /nfs/dbraw/zinc/57/92/39/374579239.db2.gz KPVPXQQSRPGBHO-UHFFFAOYSA-N 1 1 283.371 3.324 20 10 CGCDMO C[C@@H]1CCSCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000191818250 375666332 /nfs/dbraw/zinc/66/63/32/375666332.db2.gz RKXVLWBAGLEOIP-CYBMUJFWSA-N 1 1 264.438 3.080 20 10 CGCDMO CCOCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000192687491 375778801 /nfs/dbraw/zinc/77/88/01/375778801.db2.gz LPHKDNAMNZRDOI-MRVPVSSYSA-N 1 1 278.179 3.386 20 10 CGCDMO C[C@H](O)C[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000192772884 375787396 /nfs/dbraw/zinc/78/73/96/375787396.db2.gz JTUPAVJKOIFPKH-GJZGRUSLSA-N 1 1 285.387 3.336 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1O ZINC000228172841 376430504 /nfs/dbraw/zinc/43/05/04/376430504.db2.gz SJUXMKDJEHMAGN-TZMCWYRMSA-N 1 1 261.365 3.165 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cnccc1C ZINC000269733987 378261012 /nfs/dbraw/zinc/26/10/12/378261012.db2.gz WXCOOJUDYKDSQW-UHFFFAOYSA-N 1 1 283.419 3.478 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)CCCOC(C)C)c1 ZINC000271160193 378467051 /nfs/dbraw/zinc/46/70/51/378467051.db2.gz AFYYIVSKSAOJFH-UHFFFAOYSA-N 1 1 281.396 3.038 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2cccs2)c1O ZINC000271017740 378428662 /nfs/dbraw/zinc/42/86/62/378428662.db2.gz SFYTVLKZODDBDU-UHFFFAOYSA-N 1 1 263.362 3.094 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](Cc2cncs2)C2CC2)cc1 ZINC000271037281 378435416 /nfs/dbraw/zinc/43/54/16/378435416.db2.gz GPHKCGPSBLGRTO-UHFFFAOYSA-N 1 1 287.432 3.374 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000271296217 378489087 /nfs/dbraw/zinc/48/90/87/378489087.db2.gz RFTZZUAYPKLKQR-SFHVURJKSA-N 1 1 296.414 3.099 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000271708033 378500787 /nfs/dbraw/zinc/50/07/87/378500787.db2.gz ADLWIBNMTHOUGX-HNNXBMFYSA-N 1 1 272.348 3.066 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)cc1C ZINC000375344287 379493811 /nfs/dbraw/zinc/49/38/11/379493811.db2.gz CSXWOZGRYLROJM-CQSZACIVSA-N 1 1 271.364 3.069 20 10 CGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)COC ZINC000282547808 379943786 /nfs/dbraw/zinc/94/37/86/379943786.db2.gz WVJBTANXXNQRHL-ZDUSSCGKSA-N 1 1 251.370 3.029 20 10 CGCDMO CC[C@H]([NH2+]CCCOC(C)C)c1ccc(F)cc1O ZINC000285476433 380148437 /nfs/dbraw/zinc/14/84/37/380148437.db2.gz BEPBNGWZULIEFC-AWEZNQCLSA-N 1 1 269.360 3.387 20 10 CGCDMO CC[C@@H]([NH2+]CCc1ccccn1)c1ccc(F)cc1O ZINC000285877076 380152945 /nfs/dbraw/zinc/15/29/45/380152945.db2.gz ZGJBMNOFUYUILE-OAHLLOKOSA-N 1 1 274.339 3.210 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CCCOCC1)c1ccc(F)cc1O ZINC000286028753 380158736 /nfs/dbraw/zinc/15/87/36/380158736.db2.gz JAMYRQGJWGHUIN-JSGCOSHPSA-N 1 1 267.344 3.141 20 10 CGCDMO Cc1cc(Cl)cc(CN2CCC[N@H+]3CCC[C@@H]3C2)c1O ZINC000362239891 381915143 /nfs/dbraw/zinc/91/51/43/381915143.db2.gz SXIJGBWBESYQQQ-OAHLLOKOSA-N 1 1 294.826 3.024 20 10 CGCDMO C[C@]1(O)CCC[N@@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000366252250 382303825 /nfs/dbraw/zinc/30/38/25/382303825.db2.gz XWOKLONQVBGSCQ-SFHVURJKSA-N 1 1 285.387 3.282 20 10 CGCDMO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000272753560 393265321 /nfs/dbraw/zinc/26/53/21/393265321.db2.gz KBPCKDYFVPNPPX-CYBMUJFWSA-N 1 1 287.382 3.480 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc3c[nH]nc3c2)cc1 ZINC000155200084 261099426 /nfs/dbraw/zinc/09/94/26/261099426.db2.gz PXJTXTNIFSKJAT-UHFFFAOYSA-N 1 1 294.402 3.261 20 10 CGCDMO CC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@@H](C)C(C)C ZINC000159982730 261201153 /nfs/dbraw/zinc/20/11/53/261201153.db2.gz IGRFCAQFBNZOJR-LBPRGKRZSA-N 1 1 281.396 3.276 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)[C@H](C)C2(C)CC2)cc1OC ZINC000160383793 261212578 /nfs/dbraw/zinc/21/25/78/261212578.db2.gz IMPOATIUKUOEMV-LLVKDONJSA-N 1 1 279.380 3.030 20 10 CGCDMO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(F)cc1O ZINC000185528886 262058487 /nfs/dbraw/zinc/05/84/87/262058487.db2.gz IMLNITYOIRYPQF-BONVTDFDSA-N 1 1 295.379 3.151 20 10 CGCDMO CCc1noc(CC)c1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185678475 262066161 /nfs/dbraw/zinc/06/61/61/262066161.db2.gz ZPVPZTWXAKJAJU-JTQLQIEISA-N 1 1 292.354 3.495 20 10 CGCDMO CC[N@@H+](Cc1ccncc1)Cc1cccc(C)c1O ZINC000289747731 263111876 /nfs/dbraw/zinc/11/18/76/263111876.db2.gz IZXIKHRBQZUTHM-UHFFFAOYSA-N 1 1 256.349 3.118 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCCSC1 ZINC000293868011 263151233 /nfs/dbraw/zinc/15/12/33/263151233.db2.gz IRHCFPRXORUFKV-SECBINFHSA-N 1 1 289.803 3.418 20 10 CGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc(C)c(C)cc2O)CC1 ZINC000280350337 274073486 /nfs/dbraw/zinc/07/34/86/274073486.db2.gz SUKACIRVPUOWNW-KRWDZBQOSA-N 1 1 277.408 3.400 20 10 CGCDMO COc1cccc(C[N@@H+]2Cc3ccccc3O[C@H](C)C2)c1O ZINC000011813901 278011698 /nfs/dbraw/zinc/01/16/98/278011698.db2.gz ICCXJIUQOFLFSI-CYBMUJFWSA-N 1 1 299.370 3.184 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)[C@H](C)C2(C)CC2)c1O ZINC000091900547 327187172 /nfs/dbraw/zinc/18/71/72/327187172.db2.gz QIAJSIHORGXROR-GFCCVEGCSA-N 1 1 263.381 3.411 20 10 CGCDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000375096368 329000207 /nfs/dbraw/zinc/00/02/07/329000207.db2.gz GGMOTVNLHMBGNU-OAHLLOKOSA-N 1 1 294.414 3.140 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000377835659 329030901 /nfs/dbraw/zinc/03/09/01/329030901.db2.gz VPWSUHOYQXICLE-UONOGXRCSA-N 1 1 293.382 3.170 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c1 ZINC000378627992 329056947 /nfs/dbraw/zinc/05/69/47/329056947.db2.gz BYSPWJLVEQUETA-MRXNPFEDSA-N 1 1 282.387 3.160 20 10 CGCDMO CCC(C)(C)OC1C[NH+](Cc2cc(C)ccc2O)C1 ZINC000529639791 333502918 /nfs/dbraw/zinc/50/29/18/333502918.db2.gz FCBVZRLOLSPAPG-UHFFFAOYSA-N 1 1 263.381 3.090 20 10 CGCDMO CCC[C@@]1(CO)CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000290181866 520963537 /nfs/dbraw/zinc/96/35/37/520963537.db2.gz NVHQNKCAXPHHQQ-OAHLLOKOSA-N 1 1 283.799 3.030 20 10 CGCDMO CCO[C@@H](C[NH2+]Cc1cccc(F)c1O)c1ccccc1 ZINC000278607507 520312757 /nfs/dbraw/zinc/31/27/57/520312757.db2.gz GFZONXYTUKFKHS-INIZCTEOSA-N 1 1 289.350 3.399 20 10 CGCDMO CCCC[N@H+](C)C[C@@H](C)N[C@@H](C)c1cc(OC)ccc1O ZINC000289820180 520413715 /nfs/dbraw/zinc/41/37/15/520413715.db2.gz OYLMHUSBDIDCCX-KGLIPLIRSA-N 1 1 294.439 3.172 20 10 CGCDMO CCCC[N@@H+](C)C[C@@H](C)N[C@@H](C)c1cc(OC)ccc1O ZINC000289820180 520413721 /nfs/dbraw/zinc/41/37/21/520413721.db2.gz OYLMHUSBDIDCCX-KGLIPLIRSA-N 1 1 294.439 3.172 20 10 CGCDMO CCC[N@@H+](CCCSCCOC)Cc1ccccc1O ZINC000278311624 521652775 /nfs/dbraw/zinc/65/27/75/521652775.db2.gz BJALAGBNWOFDCX-UHFFFAOYSA-N 1 1 297.464 3.374 20 10 CGCDMO CCC[N@@H+](CCc1ccncc1)Cc1ccccc1O ZINC000103479568 521674187 /nfs/dbraw/zinc/67/41/87/521674187.db2.gz AICHRDXQLQSCEL-UHFFFAOYSA-N 1 1 270.376 3.242 20 10 CGCDMO COc1c(O)c(C[N@H+](CC(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000278294488 521870546 /nfs/dbraw/zinc/87/05/46/521870546.db2.gz VFDURQRJDDSTKU-UHFFFAOYSA-N 1 1 296.367 3.175 20 10 CGCDMO COc1c(O)c(C[N@@H+](CC(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000278294488 521870557 /nfs/dbraw/zinc/87/05/57/521870557.db2.gz VFDURQRJDDSTKU-UHFFFAOYSA-N 1 1 296.367 3.175 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C[C@H]2CCSC2)C2CC2)cc1 ZINC000278421680 522172591 /nfs/dbraw/zinc/17/25/91/522172591.db2.gz IPPIBUSGXBLZGS-OAHLLOKOSA-N 1 1 290.476 3.470 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1O ZINC000292854862 524407494 /nfs/dbraw/zinc/40/74/94/524407494.db2.gz UPHXANAVRPPCEL-GXTWGEPZSA-N 1 1 267.319 3.178 20 10 CGCDMO C[C@H]([NH2+]CCc1ccc(O)cc1)c1ccc(F)cc1O ZINC000062748023 525365741 /nfs/dbraw/zinc/36/57/41/525365741.db2.gz JUGSPCDLJNPFAP-NSHDSACASA-N 1 1 275.323 3.130 20 10 CGCDMO Oc1cc2c(cc1CNc1cccc(C3CC3)[nH+]1)OCO2 ZINC000292999347 526337215 /nfs/dbraw/zinc/33/72/15/526337215.db2.gz ORNFLBXOLVYMHD-UHFFFAOYSA-N 1 1 284.315 3.005 20 10 CGCDMO Cc1ncc(C[N@H+](C)Cc2ccc(N(C)C)c(C)c2)s1 ZINC000293342972 527252308 /nfs/dbraw/zinc/25/23/08/527252308.db2.gz DGGKZJLQODQGIX-UHFFFAOYSA-N 1 1 289.448 3.458 20 10 CGCDMO C[N@@H+](Cc1c(O)ccc2ccncc21)CC(C)(C)C ZINC000738090332 571780659 /nfs/dbraw/zinc/78/06/59/571780659.db2.gz OTZWFLUJWJGPRL-UHFFFAOYSA-N 1 1 258.365 3.418 20 10 CGCDMO COc1ccc(CNCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1C ZINC000730818465 572378018 /nfs/dbraw/zinc/37/80/18/572378018.db2.gz VGLJARSVMLPJLI-IYBDPMFKSA-N 1 1 290.451 3.356 20 10 CGCDMO COc1ccc(CNCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1C ZINC000730818465 572378022 /nfs/dbraw/zinc/37/80/22/572378022.db2.gz VGLJARSVMLPJLI-IYBDPMFKSA-N 1 1 290.451 3.356 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000741754610 572522913 /nfs/dbraw/zinc/52/29/13/572522913.db2.gz SUHFEFHHBQLCRT-KRWDZBQOSA-N 1 1 276.424 3.144 20 10 CGCDMO CCC[N@@H+](CCOCC1CC1)Cc1ccccc1O ZINC000160159324 617607573 /nfs/dbraw/zinc/60/75/73/617607573.db2.gz WYSYYTWILYYFMI-UHFFFAOYSA-N 1 1 263.381 3.031 20 10 CGCDMO CC[C@]1(C)CC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892146561 618556666 /nfs/dbraw/zinc/55/66/66/618556666.db2.gz PACVFSOUBPCMLH-MRXNPFEDSA-N 1 1 279.380 3.031 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(C)c(C)cc2O)C[C@@H](C)O1 ZINC000247735301 618857639 /nfs/dbraw/zinc/85/76/39/618857639.db2.gz VORMVXCREQSOSP-UKRRQHHQSA-N 1 1 263.381 3.008 20 10 CGCDMO CCOc1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)o1 ZINC000892737769 618928605 /nfs/dbraw/zinc/92/86/05/618928605.db2.gz KLUMNXUIABMJFD-UHFFFAOYSA-N 1 1 292.354 3.173 20 10 CGCDMO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)n[nH]1 ZINC000186130695 619068352 /nfs/dbraw/zinc/06/83/52/619068352.db2.gz PJVLEVWTZZESBE-WCQYABFASA-N 1 1 273.380 3.014 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](CCCO)CC(C)(C)C)cc1C ZINC000093146093 619169633 /nfs/dbraw/zinc/16/96/33/619169633.db2.gz UDHSENQDOBMFOB-UHFFFAOYSA-N 1 1 279.424 3.240 20 10 CGCDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093498555 619201348 /nfs/dbraw/zinc/20/13/48/619201348.db2.gz DKZKOQGHIPRJDK-HZPDHXFCSA-N 1 1 288.435 3.144 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1O ZINC000893864838 619323799 /nfs/dbraw/zinc/32/37/99/619323799.db2.gz FJUZYCHPYCAUAC-HNNXBMFYSA-N 1 1 286.375 3.374 20 10 CGCDMO CCC[N@@H+](Cc1[nH]nc(C)c1C)Cc1ccccc1O ZINC000893983955 619346882 /nfs/dbraw/zinc/34/68/82/619346882.db2.gz IGZFYJJFTHZLSN-UHFFFAOYSA-N 1 1 273.380 3.144 20 10 CGCDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894600705 619583539 /nfs/dbraw/zinc/58/35/39/619583539.db2.gz KTRUIVLYUFTVMT-XVKPBYJWSA-N 1 1 295.251 3.443 20 10 CGCDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894600705 619583541 /nfs/dbraw/zinc/58/35/41/619583541.db2.gz KTRUIVLYUFTVMT-XVKPBYJWSA-N 1 1 295.251 3.443 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000894654543 619595659 /nfs/dbraw/zinc/59/56/59/619595659.db2.gz WZUKVNPGBFOWSS-LLVKDONJSA-N 1 1 290.313 3.055 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000894654543 619595667 /nfs/dbraw/zinc/59/56/67/619595667.db2.gz WZUKVNPGBFOWSS-LLVKDONJSA-N 1 1 290.313 3.055 20 10 CGCDMO CCn1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2O)c1 ZINC000792183428 619605638 /nfs/dbraw/zinc/60/56/38/619605638.db2.gz NCNHCIJNPNCAPN-UHFFFAOYSA-N 1 1 278.783 3.499 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)C[C@H](C)C1(F)F ZINC000895387752 619818716 /nfs/dbraw/zinc/81/87/16/619818716.db2.gz FDXRCWJTWJQPIY-DTORHVGOSA-N 1 1 291.288 3.394 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2O)C[C@H](C)C1(F)F ZINC000895387752 619818717 /nfs/dbraw/zinc/81/87/17/619818717.db2.gz FDXRCWJTWJQPIY-DTORHVGOSA-N 1 1 291.288 3.394 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[NH2+]C1(c2ncccn2)CCC1 ZINC000895622532 619860526 /nfs/dbraw/zinc/86/05/26/619860526.db2.gz JHBHRHWVEDVVGD-UHFFFAOYSA-N 1 1 296.418 3.020 20 10 CGCDMO CCCN(CCC)c1ccc(C[N@H+]2C[C@H](O)C[C@H]2C)cc1 ZINC000788270286 619890044 /nfs/dbraw/zinc/89/00/44/619890044.db2.gz QWKMSIILPDRXBV-CRAIPNDOSA-N 1 1 290.451 3.268 20 10 CGCDMO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2F)CCO1 ZINC000896644034 620039632 /nfs/dbraw/zinc/03/96/32/620039632.db2.gz VYXWKINQSSTYKN-IAQYHMDHSA-N 1 1 281.371 3.215 20 10 CGCDMO CCCSC[C@H](C)[NH2+]Cc1c(O)cccc1F ZINC000896639116 620041765 /nfs/dbraw/zinc/04/17/65/620041765.db2.gz LDGWNVCWSMLPAN-JTQLQIEISA-N 1 1 257.374 3.153 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)c(O)c1 ZINC000898068136 620474386 /nfs/dbraw/zinc/47/43/86/620474386.db2.gz LHRGTIFJPPINHJ-ZDUSSCGKSA-N 1 1 288.416 3.222 20 10 CGCDMO Cc1ccc(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c(O)c1 ZINC000898511659 620593886 /nfs/dbraw/zinc/59/38/86/620593886.db2.gz DHTNCHJOSOFIPL-DOTOQJQBSA-N 1 1 289.419 3.339 20 10 CGCDMO NC1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000902404312 621308020 /nfs/dbraw/zinc/30/80/20/621308020.db2.gz DOLCGLPVLDPHKS-KRWDZBQOSA-N 1 1 296.414 3.147 20 10 CGCDMO Oc1cccc2c1[C@H]([NH2+][C@H]1c3ccccc3OC[C@@H]1F)CC2 ZINC000903266696 621654153 /nfs/dbraw/zinc/65/41/53/621654153.db2.gz UWWRDTLEKOAXDN-IYOUNJFTSA-N 1 1 299.345 3.441 20 10 CGCDMO C[C@H]([NH2+][C@H](c1ncccn1)C1CC1)c1ccc(N(C)C)cc1 ZINC000903334337 621690808 /nfs/dbraw/zinc/69/08/08/621690808.db2.gz XSHOJDUHKRPUTQ-GUYCJALGSA-N 1 1 296.418 3.345 20 10 CGCDMO C[C@H]([NH2+][C@H]1COC[C@H]1C)c1cccc(C(F)(F)F)c1O ZINC000903393148 621718760 /nfs/dbraw/zinc/71/87/60/621718760.db2.gz HTDWLGGGCKKLSI-PTRXPTGYSA-N 1 1 289.297 3.097 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@@H](C)CC2)cc1C(C)C ZINC000905742156 622103307 /nfs/dbraw/zinc/10/33/07/622103307.db2.gz ZVFDIRUOLOCAQW-AWEZNQCLSA-N 1 1 277.408 3.435 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)Cc2cccc(C)n2)c1 ZINC000769481635 625570483 /nfs/dbraw/zinc/57/04/83/625570483.db2.gz WWBGWMTVOYYXFP-UHFFFAOYSA-N 1 1 256.349 3.036 20 10 CGCDMO CC[C@@H](C)C[N@@H+](CC)Cc1cc(OC)ccc1O ZINC000156088077 622684569 /nfs/dbraw/zinc/68/45/69/622684569.db2.gz FFOMXSYGQIDGCD-GFCCVEGCSA-N 1 1 251.370 3.269 20 10 CGCDMO CC[N@@H+](Cc1c(O)c(C(=O)OC)cc2ccccc21)C1CC1 ZINC000912855095 622704880 /nfs/dbraw/zinc/70/48/80/622704880.db2.gz PXLZQCKUKRXKSU-UHFFFAOYSA-N 1 1 299.370 3.316 20 10 CGCDMO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000229407868 623129723 /nfs/dbraw/zinc/12/97/23/623129723.db2.gz ITVXEIYGMFQZQH-STQMWFEESA-N 1 1 273.380 3.461 20 10 CGCDMO COc1ccccc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000171110484 623131250 /nfs/dbraw/zinc/13/12/50/623131250.db2.gz UHDSJMKVRSVIED-UHFFFAOYSA-N 1 1 284.403 3.393 20 10 CGCDMO CC[C@@H](CN[C@H](C)c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000151671336 623555885 /nfs/dbraw/zinc/55/58/85/623555885.db2.gz SYSYBRMROLJYDE-WBVHZDCISA-N 1 1 289.467 3.278 20 10 CGCDMO c1cn2cc(C[NH2+]Cc3ccc4c(c3)CCCO4)nc2s1 ZINC000921598626 625696407 /nfs/dbraw/zinc/69/64/07/625696407.db2.gz BZWMPYYRPZIABX-UHFFFAOYSA-N 1 1 299.399 3.011 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](CCN(C)C)C2CCCC2)c1 ZINC000154628453 624330771 /nfs/dbraw/zinc/33/07/71/624330771.db2.gz NDHOBMCRFMVRTR-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO Cc1cccc(C[N@@H+](C)Cc2ccccc2F)c1O ZINC000179565944 624666338 /nfs/dbraw/zinc/66/63/38/624666338.db2.gz OYYCKHJVBWJFIV-UHFFFAOYSA-N 1 1 259.324 3.472 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2c2cccn2C)cc1 ZINC000179703829 624677976 /nfs/dbraw/zinc/67/79/76/624677976.db2.gz LWMZRFDJIVGRPG-GOSISDBHSA-N 1 1 283.419 3.428 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@H]2CN2CCCCC2)c1O ZINC000179803449 624687074 /nfs/dbraw/zinc/68/70/74/624687074.db2.gz DLJFMKPDDQTPAP-KRWDZBQOSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1cccc(CN2CCC[C@H]2C[NH+]2CCCCC2)c1O ZINC000179803449 624687077 /nfs/dbraw/zinc/68/70/77/624687077.db2.gz DLJFMKPDDQTPAP-KRWDZBQOSA-N 1 1 288.435 3.151 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCCCC[C@H]2C)c1O ZINC000070410624 625005183 /nfs/dbraw/zinc/00/51/83/625005183.db2.gz TVVRRCXNDFSLIZ-LLVKDONJSA-N 1 1 279.355 3.498 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCCCC[C@H]2C)c1O ZINC000070410624 625005191 /nfs/dbraw/zinc/00/51/91/625005191.db2.gz TVVRRCXNDFSLIZ-LLVKDONJSA-N 1 1 279.355 3.498 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070975814 625047979 /nfs/dbraw/zinc/04/79/79/625047979.db2.gz RJWGCWVINVXCHP-OAHLLOKOSA-N 1 1 263.381 3.173 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@@H](C)c2ccncc2)c1 ZINC000183712432 625114246 /nfs/dbraw/zinc/11/42/46/625114246.db2.gz NTWBBBGSNCKXEB-ZDUSSCGKSA-N 1 1 286.375 3.379 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2)c1 ZINC000756355860 625899004 /nfs/dbraw/zinc/89/90/04/625899004.db2.gz XGAQCHIDAPQLHJ-GFCCVEGCSA-N 1 1 285.343 3.030 20 10 CGCDMO c1cc2c(cc1C[NH2+]Cc1noc3c1CCCC3)CCCO2 ZINC000922131271 625971257 /nfs/dbraw/zinc/97/12/57/625971257.db2.gz MANZFTMBMPMMAV-UHFFFAOYSA-N 1 1 298.386 3.168 20 10 CGCDMO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccn(C)n2)cc1 ZINC000839190904 626328135 /nfs/dbraw/zinc/32/81/35/626328135.db2.gz KZEIQEDWJNRYTF-CQSZACIVSA-N 1 1 286.423 3.117 20 10 CGCDMO Cc1cccc(C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC000839192098 626328815 /nfs/dbraw/zinc/32/88/15/626328815.db2.gz INTOPGLASACYJX-CYBMUJFWSA-N 1 1 293.407 3.110 20 10 CGCDMO CCCN1CCC([NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000020190113 634503709 /nfs/dbraw/zinc/50/37/09/634503709.db2.gz XFQZIKNOOCNJNR-CQSZACIVSA-N 1 1 276.424 3.226 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)C[C@H](C)c1nccs1 ZINC000753597235 626457815 /nfs/dbraw/zinc/45/78/15/626457815.db2.gz XPDFMNWSFNXOLI-NSHDSACASA-N 1 1 292.404 3.093 20 10 CGCDMO C[C@H]1C[C@H]1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000754102009 626475489 /nfs/dbraw/zinc/47/54/89/626475489.db2.gz OOTZUPGFGDNOTK-ZFWWWQNUSA-N 1 1 258.409 3.373 20 10 CGCDMO C[C@H]1C[C@H]([NH2+]Cc2cscn2)c2c1c(F)ccc2O ZINC000756511702 626711198 /nfs/dbraw/zinc/71/11/98/626711198.db2.gz ZXWZIFUTDWPXJB-KWQFWETISA-N 1 1 278.352 3.326 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@@H]2C)c1 ZINC000756683204 626726764 /nfs/dbraw/zinc/72/67/64/626726764.db2.gz KMROOTUNOWWAQH-MJVIPROJSA-N 1 1 277.364 3.018 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CC(C)C)c1 ZINC000756766720 626730194 /nfs/dbraw/zinc/73/01/94/626730194.db2.gz BPFHAPFLYHYVQN-NWDGAFQWSA-N 1 1 279.380 3.264 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)c1cc(F)cc(F)c1O ZINC000756784453 626732166 /nfs/dbraw/zinc/73/21/66/626732166.db2.gz NLITVJYYRRXMJA-BDAKNGLRSA-N 1 1 266.291 3.410 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)c1O ZINC000761215609 627025491 /nfs/dbraw/zinc/02/54/91/627025491.db2.gz HAKJQUMONBNUJF-SKDRFNHKSA-N 1 1 287.762 3.234 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)c1O ZINC000761215609 627025495 /nfs/dbraw/zinc/02/54/95/627025495.db2.gz HAKJQUMONBNUJF-SKDRFNHKSA-N 1 1 287.762 3.234 20 10 CGCDMO CCC[N@@H+](CCN(CC)CC)Cc1cccc(C)c1O ZINC000764677284 627217692 /nfs/dbraw/zinc/21/76/92/627217692.db2.gz HXKZJBQXHIYYNP-UHFFFAOYSA-N 1 1 278.440 3.254 20 10 CGCDMO CCCN(CC[NH+](CC)CC)Cc1cccc(C)c1O ZINC000764677284 627217694 /nfs/dbraw/zinc/21/76/94/627217694.db2.gz HXKZJBQXHIYYNP-UHFFFAOYSA-N 1 1 278.440 3.254 20 10 CGCDMO CCN(C)c1ccc([C@H](C)NCC[N@@H+]2CCC[C@H]2C)cc1 ZINC000766273540 627311643 /nfs/dbraw/zinc/31/16/43/627311643.db2.gz QGQIQUOVBAPMNH-CVEARBPZSA-N 1 1 289.467 3.278 20 10 CGCDMO CCN(C)c1ccc([C@H](C)NCC[N@H+]2CCC[C@H]2C)cc1 ZINC000766273540 627311644 /nfs/dbraw/zinc/31/16/44/627311644.db2.gz QGQIQUOVBAPMNH-CVEARBPZSA-N 1 1 289.467 3.278 20 10 CGCDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C)c(C)cc1O ZINC000768172915 627465799 /nfs/dbraw/zinc/46/57/99/627465799.db2.gz RSCQIELROQMATJ-DZGCQCFKSA-N 1 1 263.381 3.008 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000768360337 627475610 /nfs/dbraw/zinc/47/56/10/627475610.db2.gz NEMCXJVWDLOEKZ-MRXNPFEDSA-N 1 1 268.360 3.433 20 10 CGCDMO CCCC[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)[C@H](C)CC ZINC000768439078 627479933 /nfs/dbraw/zinc/47/99/33/627479933.db2.gz GNDQWMJXMPJTRB-MLGOLLRUSA-N 1 1 293.407 3.219 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000768544105 627485839 /nfs/dbraw/zinc/48/58/39/627485839.db2.gz PFHRFAFRHFYKKS-NSHDSACASA-N 1 1 251.370 3.267 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](Cc2ccccc2)C[C@@H](C)O)c1 ZINC000768893893 627507066 /nfs/dbraw/zinc/50/70/66/627507066.db2.gz UPCNQWDSMYTCFN-OAHLLOKOSA-N 1 1 285.387 3.084 20 10 CGCDMO CC[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000769010899 627516708 /nfs/dbraw/zinc/51/67/08/627516708.db2.gz XEQCLXXOFKZVMG-CYBMUJFWSA-N 1 1 250.361 3.266 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)C2Cc3ccccc3C2)c1O ZINC000769032853 627518910 /nfs/dbraw/zinc/51/89/10/627518910.db2.gz HIHNZNHTOGKWJV-UHFFFAOYSA-N 1 1 297.398 3.390 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)Cc2scnc2C)c(O)c1 ZINC000769320673 627540616 /nfs/dbraw/zinc/54/06/16/627540616.db2.gz UBQMNGGAMDMMAT-UHFFFAOYSA-N 1 1 292.404 3.188 20 10 CGCDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769448546 627553607 /nfs/dbraw/zinc/55/36/07/627553607.db2.gz ULERGGPDSMODHS-DOTOQJQBSA-N 1 1 288.435 3.144 20 10 CGCDMO Oc1ccccc1C[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000770506138 627623498 /nfs/dbraw/zinc/62/34/98/627623498.db2.gz USLWBWJNZHROKH-UHFFFAOYSA-N 1 1 275.298 3.229 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000770506138 627623502 /nfs/dbraw/zinc/62/35/02/627623502.db2.gz USLWBWJNZHROKH-UHFFFAOYSA-N 1 1 275.298 3.229 20 10 CGCDMO CCC(C)(CC)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771853276 627736439 /nfs/dbraw/zinc/73/64/39/627736439.db2.gz MQPDECLZJRWQRA-UHFFFAOYSA-N 1 1 289.467 3.107 20 10 CGCDMO C[C@@H](Nc1[nH+]cnc2[nH]ccc21)c1ccc(N(C)C)cc1 ZINC000772300919 627782965 /nfs/dbraw/zinc/78/29/65/627782965.db2.gz RALQRXYIGZKGAU-LLVKDONJSA-N 1 1 281.363 3.197 20 10 CGCDMO CCOC[C@H]1CC[N@@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000773753904 627911606 /nfs/dbraw/zinc/91/16/06/627911606.db2.gz IQGLGESMZYDZHF-INIZCTEOSA-N 1 1 276.424 3.001 20 10 CGCDMO CC(C)[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000777968332 628317071 /nfs/dbraw/zinc/31/70/71/628317071.db2.gz IZGXRUJLLTXLJV-SFHVURJKSA-N 1 1 289.419 3.128 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C[C@H]1F ZINC000777965494 628317100 /nfs/dbraw/zinc/31/71/00/628317100.db2.gz WWJVYIRTJAKYMR-BLLLJJGKSA-N 1 1 277.383 3.451 20 10 CGCDMO CC(C)CCC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000779214737 628394818 /nfs/dbraw/zinc/39/48/18/628394818.db2.gz FQQUIIAPTONRPV-UHFFFAOYSA-N 1 1 290.451 3.391 20 10 CGCDMO C[N@H+](Cc1cccnc1)Cc1c(O)cccc1Cl ZINC000780890787 628522172 /nfs/dbraw/zinc/52/21/72/628522172.db2.gz JIQOZGLPQSDCGF-UHFFFAOYSA-N 1 1 262.740 3.073 20 10 CGCDMO C[N@@H+](Cc1cccnc1)Cc1c(O)cccc1Cl ZINC000780890787 628522175 /nfs/dbraw/zinc/52/21/75/628522175.db2.gz JIQOZGLPQSDCGF-UHFFFAOYSA-N 1 1 262.740 3.073 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](CCOC2CCC2)C2CC2)cc1 ZINC000805734464 628664487 /nfs/dbraw/zinc/66/44/87/628664487.db2.gz TVHCKAFTZIWKSF-UHFFFAOYSA-N 1 1 288.435 3.286 20 10 CGCDMO C[C@@H]([NH2+]CCCCO)c1cc(Cl)c(Cl)cc1O ZINC000786939182 628971451 /nfs/dbraw/zinc/97/14/51/628971451.db2.gz BRBVCJAHMUNCLC-MRVPVSSYSA-N 1 1 278.179 3.122 20 10 CGCDMO Cc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)sn1 ZINC000788442652 629053112 /nfs/dbraw/zinc/05/31/12/629053112.db2.gz HJWDZHPMHAUCTB-UHFFFAOYSA-N 1 1 275.421 3.150 20 10 CGCDMO COCCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788496903 629059497 /nfs/dbraw/zinc/05/94/97/629059497.db2.gz BSPVTWUPNYVKJX-SECBINFHSA-N 1 1 277.286 3.098 20 10 CGCDMO C[C@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)N(C)C ZINC000788590343 629066775 /nfs/dbraw/zinc/06/67/75/629066775.db2.gz VMCRROFKBQMWOQ-ZJUUUORDSA-N 1 1 290.329 3.012 20 10 CGCDMO COC[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788822622 629084516 /nfs/dbraw/zinc/08/45/16/629084516.db2.gz MWMKGHNAMNIPKU-IUCAKERBSA-N 1 1 277.286 3.097 20 10 CGCDMO COc1ccc([N@H+](CCC[C@@H](C)O)CC(C)C)cc1 ZINC000789346653 629126015 /nfs/dbraw/zinc/12/60/15/629126015.db2.gz ZYRGRYIQXNLETR-CQSZACIVSA-N 1 1 265.397 3.319 20 10 CGCDMO COc1ccc([N@@H+](CCC[C@@H](C)O)CC(C)C)cc1 ZINC000789346653 629126017 /nfs/dbraw/zinc/12/60/17/629126017.db2.gz ZYRGRYIQXNLETR-CQSZACIVSA-N 1 1 265.397 3.319 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2cc(Cl)ccc2O)nc1 ZINC000789594282 629149342 /nfs/dbraw/zinc/14/93/42/629149342.db2.gz HKZDLLFABHAZAA-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCSC(C)(C)CC1 ZINC000789763587 629166627 /nfs/dbraw/zinc/16/66/27/629166627.db2.gz LVBTWQKEGJOFNQ-UHFFFAOYSA-N 1 1 281.421 3.118 20 10 CGCDMO CCC1([NH2+]Cc2c(O)ccc(Cl)c2F)CCOCC1 ZINC000790979561 629246063 /nfs/dbraw/zinc/24/60/63/629246063.db2.gz ASAXNKAMBYSOML-UHFFFAOYSA-N 1 1 287.762 3.234 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CC2(F)CC2)cc1 ZINC000792774428 629380662 /nfs/dbraw/zinc/38/06/62/629380662.db2.gz TWNLWZGEVCLNHM-UHFFFAOYSA-N 1 1 264.388 3.467 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000862473525 629383327 /nfs/dbraw/zinc/38/33/27/629383327.db2.gz UEYBRDWLDGKCRX-OLZOCXBDSA-N 1 1 267.369 3.001 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@](O)(c3ccccc3)C2)c1O ZINC000862483151 629385877 /nfs/dbraw/zinc/38/58/77/629385877.db2.gz PKNIVPLXFRHQBB-LJQANCHMSA-N 1 1 297.398 3.184 20 10 CGCDMO COc1cccc(C[N@@H+](C)[C@H]2CCC(C)(C)C2)c1O ZINC000793351163 629446731 /nfs/dbraw/zinc/44/67/31/629446731.db2.gz GMAHQSKZOOGOPN-ZDUSSCGKSA-N 1 1 263.381 3.411 20 10 CGCDMO COc1cccc(OC)c1CNc1ccc2c(c1)[nH+]cn2C ZINC000796335454 629767765 /nfs/dbraw/zinc/76/77/65/629767765.db2.gz TZJZPIGCBRGOKH-UHFFFAOYSA-N 1 1 297.358 3.203 20 10 CGCDMO CC[C@@H]([NH2+]CCN(CC)C1CC1)c1ccc(F)cc1O ZINC000796748333 629824855 /nfs/dbraw/zinc/82/48/55/629824855.db2.gz WOSABIDJUKTZIB-OAHLLOKOSA-N 1 1 280.387 3.056 20 10 CGCDMO CCc1cc(C[NH2+][C@H](CC)c2ccc(F)cc2O)[nH]n1 ZINC000796758744 629827551 /nfs/dbraw/zinc/82/75/51/629827551.db2.gz FXOLOVZRVUWZRF-CQSZACIVSA-N 1 1 277.343 3.058 20 10 CGCDMO CC[C@@H]([NH2+]CCN(C)C1CCCC1)c1ccc(F)cc1O ZINC000796766733 629829435 /nfs/dbraw/zinc/82/94/35/629829435.db2.gz WLTSTFZEDCIDFG-MRXNPFEDSA-N 1 1 294.414 3.446 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc(F)cc1O ZINC000796774970 629831458 /nfs/dbraw/zinc/83/14/58/629831458.db2.gz AOTMCSXHZYKVPM-TZMCWYRMSA-N 1 1 283.387 3.369 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H]1CCCS1)c1ccc(F)cc1O ZINC000796792617 629835181 /nfs/dbraw/zinc/83/51/81/629835181.db2.gz JYQZVKAGZNXFSS-WCQYABFASA-N 1 1 269.385 3.468 20 10 CGCDMO CCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000797112295 629890239 /nfs/dbraw/zinc/89/02/39/629890239.db2.gz HHSNMGSGKGOKEF-OCCSQVGLSA-N 1 1 280.387 3.056 20 10 CGCDMO C[C@H]([NH2+]C[C@@H](CO)CC1CCCC1)c1ccc(F)cc1O ZINC000798936573 630126625 /nfs/dbraw/zinc/12/66/25/630126625.db2.gz BUPBKHFDDZMZGU-JSGCOSHPSA-N 1 1 295.398 3.371 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c1O ZINC000798964702 630130220 /nfs/dbraw/zinc/13/02/20/630130220.db2.gz MPXXENMVKBLCEW-CQSZACIVSA-N 1 1 298.386 3.175 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000798965016 630130846 /nfs/dbraw/zinc/13/08/46/630130846.db2.gz OPGBDCHSRJVZQE-LBPRGKRZSA-N 1 1 288.778 3.430 20 10 CGCDMO COc1cccc(C[NH2+]C2(C(F)F)CCCC2)c1O ZINC000808451310 630646478 /nfs/dbraw/zinc/64/64/78/630646478.db2.gz MTUPABJRTBCPNX-UHFFFAOYSA-N 1 1 271.307 3.068 20 10 CGCDMO CC[N@@H+](Cc1ccncc1)Cc1ccc(N(C)C)c(F)c1 ZINC000809727321 630793920 /nfs/dbraw/zinc/79/39/20/630793920.db2.gz WFNLZUXVHZYKRI-UHFFFAOYSA-N 1 1 287.382 3.309 20 10 CGCDMO CC[N@H+](CCCN1CCCC1)Cc1cccc(C)c1O ZINC000809749649 630798683 /nfs/dbraw/zinc/79/86/83/630798683.db2.gz IPZJFOLSUQHEHU-UHFFFAOYSA-N 1 1 276.424 3.008 20 10 CGCDMO CC[N@@H+](CCCN1CCCC1)Cc1cccc(C)c1O ZINC000809749649 630798685 /nfs/dbraw/zinc/79/86/85/630798685.db2.gz IPZJFOLSUQHEHU-UHFFFAOYSA-N 1 1 276.424 3.008 20 10 CGCDMO CC[N@@H+](Cc1cc(C(C)C)c(C)cc1O)[C@@H]1CCOC1 ZINC000812296101 631236484 /nfs/dbraw/zinc/23/64/84/631236484.db2.gz MYYXXWZLIAKHPJ-OAHLLOKOSA-N 1 1 277.408 3.435 20 10 CGCDMO COc1cccc(O)c1C[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000814171852 631536376 /nfs/dbraw/zinc/53/63/76/631536376.db2.gz WOYPUPHZIJNPFE-KRWDZBQOSA-N 1 1 298.386 3.379 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000814171852 631536384 /nfs/dbraw/zinc/53/63/84/631536384.db2.gz WOYPUPHZIJNPFE-KRWDZBQOSA-N 1 1 298.386 3.379 20 10 CGCDMO Cc1cc(C[N@@H+](C)C[C@@H]2CCCCO2)ccc1N(C)C ZINC000815020565 631705480 /nfs/dbraw/zinc/70/54/80/631705480.db2.gz BJXVPRMWKCILOP-INIZCTEOSA-N 1 1 276.424 3.062 20 10 CGCDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815095482 631715974 /nfs/dbraw/zinc/71/59/74/631715974.db2.gz WTGVPHTYVUXPIE-QGZVFWFLSA-N 1 1 290.451 3.310 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@@H]2C[C@H](C)O)cc1 ZINC000815103329 631717288 /nfs/dbraw/zinc/71/72/88/631717288.db2.gz PCVFGQMABQTBGO-MAUKXSAKSA-N 1 1 290.451 3.268 20 10 CGCDMO COC1(CC[NH2+]Cc2c(O)ccc(Cl)c2F)CCC1 ZINC000815145968 631729407 /nfs/dbraw/zinc/72/94/07/631729407.db2.gz JMZCQJRQOWJYHS-UHFFFAOYSA-N 1 1 287.762 3.234 20 10 CGCDMO CCOCC(C)(C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000815147718 631731014 /nfs/dbraw/zinc/73/10/14/631731014.db2.gz DQUQYBVSHFZWOF-UHFFFAOYSA-N 1 1 275.751 3.089 20 10 CGCDMO C[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1C ZINC000816513173 631999296 /nfs/dbraw/zinc/99/92/96/631999296.db2.gz IRXLRDMGNWSJTC-DTORHVGOSA-N 1 1 257.736 3.273 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1C ZINC000816513173 631999311 /nfs/dbraw/zinc/99/93/11/631999311.db2.gz IRXLRDMGNWSJTC-DTORHVGOSA-N 1 1 257.736 3.273 20 10 CGCDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816514678 631999771 /nfs/dbraw/zinc/99/97/71/631999771.db2.gz FJGZLCLVDUSYRG-BDAKNGLRSA-N 1 1 257.736 3.415 20 10 CGCDMO C[C@@H]1C[C@H](C)[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816514678 631999775 /nfs/dbraw/zinc/99/97/75/631999775.db2.gz FJGZLCLVDUSYRG-BDAKNGLRSA-N 1 1 257.736 3.415 20 10 CGCDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816514678 631999778 /nfs/dbraw/zinc/99/97/78/631999778.db2.gz FJGZLCLVDUSYRG-BDAKNGLRSA-N 1 1 257.736 3.415 20 10 CGCDMO C[N@H+](CCOC(C)(C)C)Cc1cc(Cl)c(F)cc1O ZINC000816516426 632002360 /nfs/dbraw/zinc/00/23/60/632002360.db2.gz FLXVKNOLKPJQPS-UHFFFAOYSA-N 1 1 289.778 3.432 20 10 CGCDMO C[N@@H+](CCOC(C)(C)C)Cc1cc(Cl)c(F)cc1O ZINC000816516426 632002368 /nfs/dbraw/zinc/00/23/68/632002368.db2.gz FLXVKNOLKPJQPS-UHFFFAOYSA-N 1 1 289.778 3.432 20 10 CGCDMO CC(C)SCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816610082 632022484 /nfs/dbraw/zinc/02/24/84/632022484.db2.gz XEAGBZQBEHSELU-UHFFFAOYSA-N 1 1 277.792 3.416 20 10 CGCDMO Cc1cccc(CN2CC[N@H+](C)Cc3ccccc32)c1O ZINC000816617689 632025316 /nfs/dbraw/zinc/02/53/16/632025316.db2.gz GGZSJTKEXMCPNA-UHFFFAOYSA-N 1 1 282.387 3.153 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](CCO)CC2)c(Cl)c1 ZINC000817419364 632146679 /nfs/dbraw/zinc/14/66/79/632146679.db2.gz USAPTYRIRICIQV-CYBMUJFWSA-N 1 1 297.826 3.339 20 10 CGCDMO Cc1cccc([C@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000817939111 632239500 /nfs/dbraw/zinc/23/95/00/632239500.db2.gz ZCUFEGBJNYZGJY-KXBFYZLASA-N 1 1 297.446 3.412 20 10 CGCDMO C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc2ccccc2c1[O-] ZINC000817955365 632250391 /nfs/dbraw/zinc/25/03/91/632250391.db2.gz WMGYGWFWGGIONI-KBPBESRZSA-N 1 1 284.403 3.196 20 10 CGCDMO CC[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(F)cc1O ZINC000817958122 632253305 /nfs/dbraw/zinc/25/33/05/632253305.db2.gz SFGZDHJZLZUFHD-MRXNPFEDSA-N 1 1 288.366 3.397 20 10 CGCDMO CC(C)(N)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000817960798 632256714 /nfs/dbraw/zinc/25/67/14/632256714.db2.gz QLUQGFYGFJQEDW-KRWDZBQOSA-N 1 1 298.430 3.393 20 10 CGCDMO C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000817976750 632267541 /nfs/dbraw/zinc/26/75/41/632267541.db2.gz SUGAZBIBFIUGJV-MNOVXSKESA-N 1 1 270.804 3.214 20 10 CGCDMO CC[C@@H](N)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000817978503 632270562 /nfs/dbraw/zinc/27/05/62/632270562.db2.gz BWFVRDMDMPEVTC-SJLPKXTDSA-N 1 1 298.430 3.393 20 10 CGCDMO CC[C@H]([NH2+]Cc1ccnc(F)c1)c1ccc(F)cc1O ZINC000866473858 633149116 /nfs/dbraw/zinc/14/91/16/633149116.db2.gz JDKAUMLEPIVDGI-ZDUSSCGKSA-N 1 1 278.302 3.306 20 10 CGCDMO CC[C@H]([NH2+]Cc1cc(Br)ccc1O)C(F)F ZINC000824508177 633251207 /nfs/dbraw/zinc/25/12/07/633251207.db2.gz BGCGDNQTFQSLRJ-VIFPVBQESA-N 1 1 294.139 3.288 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@H]2C2CC2)c1O ZINC000824650444 633268733 /nfs/dbraw/zinc/26/87/33/633268733.db2.gz NSCJCWTZINGULY-ZDUSSCGKSA-N 1 1 251.757 3.338 20 10 CGCDMO Cc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1O ZINC000824695712 633274102 /nfs/dbraw/zinc/27/41/02/633274102.db2.gz BKUGWDCMHZQVIK-GVDBMIGSSA-N 1 1 289.419 3.216 20 10 CGCDMO CO[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1C ZINC000824820249 633296464 /nfs/dbraw/zinc/29/64/64/633296464.db2.gz BXDNWWGNODCJBE-OTYXRUKQSA-N 1 1 287.762 3.042 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1C ZINC000824820249 633296466 /nfs/dbraw/zinc/29/64/66/633296466.db2.gz BXDNWWGNODCJBE-OTYXRUKQSA-N 1 1 287.762 3.042 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)cc1Cl ZINC000824829686 633296490 /nfs/dbraw/zinc/29/64/90/633296490.db2.gz KGXODJPYXQMXAU-YPMHNXCESA-N 1 1 283.799 3.089 20 10 CGCDMO Cc1cccc(C[N@H+]2CCSC[C@@H]2C2CC2)c1O ZINC000824913946 633304929 /nfs/dbraw/zinc/30/49/29/633304929.db2.gz JQWFVKBRQYMUEP-CQSZACIVSA-N 1 1 263.406 3.028 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000824941116 633309125 /nfs/dbraw/zinc/30/91/25/633309125.db2.gz IZKGAZILCDIDNW-GOEBONIOSA-N 1 1 261.340 3.152 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c1 ZINC000824941365 633309133 /nfs/dbraw/zinc/30/91/33/633309133.db2.gz MUOHXZRTSRWNRA-DOTOQJQBSA-N 1 1 257.377 3.321 20 10 CGCDMO COc1cccc2c1C[N@@H+](Cc1cc(C)ccc1O)CC2 ZINC000824983452 633314431 /nfs/dbraw/zinc/31/44/31/633314431.db2.gz XTKKALTVSZDXLX-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000825215811 633336000 /nfs/dbraw/zinc/33/60/00/633336000.db2.gz XDNLLNMREWSXFY-OAHLLOKOSA-N 1 1 263.406 3.111 20 10 CGCDMO CC[N@H+](Cc1cc(Cl)c(C)cc1O)C[C@H](C)OC ZINC000825955087 633391992 /nfs/dbraw/zinc/39/19/92/633391992.db2.gz FWBUTGHZDCXBRL-NSHDSACASA-N 1 1 271.788 3.211 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)cc1Cl ZINC000826089696 633404305 /nfs/dbraw/zinc/40/43/05/633404305.db2.gz NSEPUEPJNFOJBH-CYBMUJFWSA-N 1 1 297.826 3.337 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](OC)C(C)(C)C2)cc1 ZINC000831546913 633974903 /nfs/dbraw/zinc/97/49/03/633974903.db2.gz CUGMZASGWIHPOE-KRWDZBQOSA-N 1 1 290.451 3.390 20 10 CGCDMO CCC1([NH+](C)C)CCN(Cc2cc(C)cc(C)c2O)CC1 ZINC000872669487 634183640 /nfs/dbraw/zinc/18/36/40/634183640.db2.gz JPARJCUWUHNWMB-UHFFFAOYSA-N 1 1 290.451 3.315 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@](C)(CC)OC)c1ccc(F)cc1O ZINC000834882987 634265605 /nfs/dbraw/zinc/26/56/05/634265605.db2.gz WSVTZWGNCRJPOP-UKRRQHHQSA-N 1 1 269.360 3.387 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccccn1 ZINC000124420781 634269600 /nfs/dbraw/zinc/26/96/00/634269600.db2.gz ZBIYNRNZINEDBY-UHFFFAOYSA-N 1 1 269.392 3.170 20 10 CGCDMO CCc1nc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)co1 ZINC000834900328 634276680 /nfs/dbraw/zinc/27/66/80/634276680.db2.gz NVDDAYNEDRZTAD-GFCCVEGCSA-N 1 1 273.380 3.154 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)c1[O-] ZINC000873270391 634313550 /nfs/dbraw/zinc/31/35/50/634313550.db2.gz RXFHIAWOZOIQHI-NEPJUHHUSA-N 1 1 296.842 3.393 20 10 CGCDMO CCO[C@@H]1CCC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835025440 634324671 /nfs/dbraw/zinc/32/46/71/634324671.db2.gz VMDZYHRHWSLINI-LZCIBIBXSA-N 1 1 288.435 3.267 20 10 CGCDMO CCC[N@@H+](CCC[C@H]1CCO1)Cc1ccccc1O ZINC000876654671 634875366 /nfs/dbraw/zinc/87/53/66/634875366.db2.gz LSYBGOQPZHOMFU-HNNXBMFYSA-N 1 1 263.381 3.173 20 10 CGCDMO Cc1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)c(O)c1 ZINC000876764544 634895675 /nfs/dbraw/zinc/89/56/75/634895675.db2.gz QALNNNQVNBTTEI-UHFFFAOYSA-N 1 1 271.282 3.395 20 10 CGCDMO Cc1cccc(O)c1C[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000877470128 635050328 /nfs/dbraw/zinc/05/03/28/635050328.db2.gz DCTRFSHKPIVKAT-LLVKDONJSA-N 1 1 289.379 3.232 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCCC[C@H]2c2ccnn2C)c(O)c1 ZINC000877497443 635061648 /nfs/dbraw/zinc/06/16/48/635061648.db2.gz QDOCSVFMKPMOOA-INIZCTEOSA-N 1 1 285.391 3.161 20 10 CGCDMO Cc1ccc(C[NH2+]C2(C(F)F)CCCC2)c(O)c1 ZINC000877536187 635077012 /nfs/dbraw/zinc/07/70/12/635077012.db2.gz KKSBQFAJUQZXSD-UHFFFAOYSA-N 1 1 255.308 3.368 20 10 CGCDMO Cc1ccc(C[N@H+]2CCCc3occc3C2)c(O)c1 ZINC000877538268 635078068 /nfs/dbraw/zinc/07/80/68/635078068.db2.gz ZOSVGJVAZHABTO-UHFFFAOYSA-N 1 1 257.333 3.242 20 10 CGCDMO Cc1cc(O)c(CN[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(Cl)c1 ZINC000840903243 635078777 /nfs/dbraw/zinc/07/87/77/635078777.db2.gz LCKURHHEAMQDRD-CHWSQXEVSA-N 1 1 296.842 3.316 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000877540454 635079485 /nfs/dbraw/zinc/07/94/85/635079485.db2.gz ZNTKJOUKTGKENF-CVEARBPZSA-N 1 1 275.392 3.090 20 10 CGCDMO CCO[C@H]1CCC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840907737 635080304 /nfs/dbraw/zinc/08/03/04/635080304.db2.gz HZYDNOKREYQDPX-LBPRGKRZSA-N 1 1 283.799 3.355 20 10 CGCDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840915123 635081291 /nfs/dbraw/zinc/08/12/91/635081291.db2.gz KLAWVKAERLKUPW-MRXNPFEDSA-N 1 1 290.451 3.310 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCOC2(CCCC2)C1 ZINC000840918191 635082821 /nfs/dbraw/zinc/08/28/21/635082821.db2.gz PLNUFIBZCYESSH-UHFFFAOYSA-N 1 1 288.435 3.206 20 10 CGCDMO CC[N@@H+](C)C[C@H]1CCN(Cc2c(O)cc(C)cc2Cl)C1 ZINC000840916916 635082982 /nfs/dbraw/zinc/08/29/82/635082982.db2.gz NUUQOSSKFSYQLM-CYBMUJFWSA-N 1 1 296.842 3.128 20 10 CGCDMO Cc1cc(O)c(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC000840950032 635090313 /nfs/dbraw/zinc/09/03/13/635090313.db2.gz DYEPNQKTQFHERN-YHWZYXNKSA-N 1 1 294.826 3.069 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000840949407 635090890 /nfs/dbraw/zinc/09/08/90/635090890.db2.gz VMFWLPJURRHNSV-SFHVURJKSA-N 1 1 290.451 3.308 20 10 CGCDMO Cc1ccc(C[N@H+]2CCSC[C@H]2C2CC2)c(O)c1 ZINC000877568276 635095401 /nfs/dbraw/zinc/09/54/01/635095401.db2.gz JMVVOZFPJAECBO-AWEZNQCLSA-N 1 1 263.406 3.028 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000840977956 635099163 /nfs/dbraw/zinc/09/91/63/635099163.db2.gz KZDBHNJQFXYKNR-ZDUSSCGKSA-N 1 1 261.365 3.023 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+]1Cc2cccc(F)c2C1 ZINC000877585577 635102131 /nfs/dbraw/zinc/10/21/31/635102131.db2.gz VBWKQEZZDRLBNR-UHFFFAOYSA-N 1 1 257.308 3.356 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1Cc2cccc(F)c2C1 ZINC000877585577 635102135 /nfs/dbraw/zinc/10/21/35/635102135.db2.gz VBWKQEZZDRLBNR-UHFFFAOYSA-N 1 1 257.308 3.356 20 10 CGCDMO CCCN(CCC)c1ccc(CNC2CC[NH2+]CC2)cc1 ZINC000841026611 635108240 /nfs/dbraw/zinc/10/82/40/635108240.db2.gz LHDJCIRNHYZHNZ-UHFFFAOYSA-N 1 1 289.467 3.155 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c(Cl)c1 ZINC000841082788 635118671 /nfs/dbraw/zinc/11/86/71/635118671.db2.gz KZXOYFUEXBIWAA-JOCQHMNTSA-N 1 1 296.842 3.209 20 10 CGCDMO Cc1ccc(CN[C@H]2CC[N@@H+](C3CCCCC3)C2)c(O)c1 ZINC000877631953 635122660 /nfs/dbraw/zinc/12/26/60/635122660.db2.gz YCAAATCRDVENNO-INIZCTEOSA-N 1 1 288.435 3.197 20 10 CGCDMO Cc1ccc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)c(O)c1 ZINC000877631953 635122665 /nfs/dbraw/zinc/12/26/65/635122665.db2.gz YCAAATCRDVENNO-INIZCTEOSA-N 1 1 288.435 3.197 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@](O)(c3ccccc3)C2)c(O)c1 ZINC000877653334 635132972 /nfs/dbraw/zinc/13/29/72/635132972.db2.gz HGRADEVHZYCTAZ-LJQANCHMSA-N 1 1 297.398 3.184 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)c(O)c1 ZINC000877660104 635135233 /nfs/dbraw/zinc/13/52/33/635135233.db2.gz JIPQHBDINKTJMX-OAHLLOKOSA-N 1 1 283.371 3.396 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)cc1F ZINC000877737510 635170573 /nfs/dbraw/zinc/17/05/73/635170573.db2.gz GSRIGGIGHLJAPT-KBPBESRZSA-N 1 1 294.439 3.077 20 10 CGCDMO C[C@@H](CO)CCC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841753254 635226632 /nfs/dbraw/zinc/22/66/32/635226632.db2.gz YGFVNVGBMHFMAU-GHMZBOCLSA-N 1 1 271.788 3.105 20 10 CGCDMO C[C@H]([NH2+][C@H]1COCc2ccccc21)c1ccc(F)cc1O ZINC000841758424 635231431 /nfs/dbraw/zinc/23/14/31/635231431.db2.gz AUNIRQQBCSGTSA-ZBEGNZNMSA-N 1 1 287.334 3.453 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1C ZINC000842612576 635418836 /nfs/dbraw/zinc/41/88/36/635418836.db2.gz JVQIVKQHIDVVKM-WBVHZDCISA-N 1 1 289.419 3.400 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCc3ccccc3[C@@H]2CN)cc1C ZINC000843129896 635563418 /nfs/dbraw/zinc/56/34/18/635563418.db2.gz SYFQPFWHEUBXPQ-SFHVURJKSA-N 1 1 296.414 3.067 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCc3ccccc3[C@@H]2CN)cc1C ZINC000843129896 635563423 /nfs/dbraw/zinc/56/34/23/635563423.db2.gz SYFQPFWHEUBXPQ-SFHVURJKSA-N 1 1 296.414 3.067 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC[C@H](c3cccnc3)C2)c(O)c1 ZINC000843419999 635665524 /nfs/dbraw/zinc/66/55/24/635665524.db2.gz YDXOYYNOLOCZCO-HNNXBMFYSA-N 1 1 298.386 3.175 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)c1 ZINC000843431833 635672406 /nfs/dbraw/zinc/67/24/06/635672406.db2.gz JVKDQAXEGWKCHU-CQSZACIVSA-N 1 1 275.392 3.092 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000843428865 635673376 /nfs/dbraw/zinc/67/33/76/635673376.db2.gz OCAKRNSCZPJZSH-CQSZACIVSA-N 1 1 281.783 3.047 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000843428865 635673380 /nfs/dbraw/zinc/67/33/80/635673380.db2.gz OCAKRNSCZPJZSH-CQSZACIVSA-N 1 1 281.783 3.047 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CC2(CCC2)O1 ZINC000843432720 635675002 /nfs/dbraw/zinc/67/50/02/635675002.db2.gz OIZNJUYIADMNIU-LLVKDONJSA-N 1 1 281.783 3.189 20 10 CGCDMO CC(C)CCc1noc(C[NH2+][C@H](C)c2ccccc2O)n1 ZINC000879648861 635827118 /nfs/dbraw/zinc/82/71/18/635827118.db2.gz FHMKFPNKJXVIDD-GFCCVEGCSA-N 1 1 289.379 3.215 20 10 CGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCCN1C ZINC000844277281 635855059 /nfs/dbraw/zinc/85/50/59/635855059.db2.gz AHIZBHGOMRBXDK-GOSISDBHSA-N 1 1 289.467 3.057 20 10 CGCDMO CC(C)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCC[N@@H+]1C ZINC000844277281 635855060 /nfs/dbraw/zinc/85/50/60/635855060.db2.gz AHIZBHGOMRBXDK-GOSISDBHSA-N 1 1 289.467 3.057 20 10 CGCDMO CC(C)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCC[N@H+]1C ZINC000844277281 635855066 /nfs/dbraw/zinc/85/50/66/635855066.db2.gz AHIZBHGOMRBXDK-GOSISDBHSA-N 1 1 289.467 3.057 20 10 CGCDMO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000846057004 636140091 /nfs/dbraw/zinc/14/00/91/636140091.db2.gz SVESNIUZYJVFSX-TZMCWYRMSA-N 1 1 287.762 3.232 20 10 CGCDMO C[C@H](COCC1CC1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000846073358 636141372 /nfs/dbraw/zinc/14/13/72/636141372.db2.gz LTTSDSZRJDGFJQ-SECBINFHSA-N 1 1 287.762 3.089 20 10 CGCDMO COc1cccc(C[N@@H+](CCC(C)C)C2CC2)c1O ZINC000129828657 636382464 /nfs/dbraw/zinc/38/24/64/636382464.db2.gz LQSCUMQNGSYCOA-UHFFFAOYSA-N 1 1 263.381 3.411 20 10 CGCDMO CC1([NH2+]Cc2c(O)ccc(Cl)c2F)CC=CC1 ZINC000848560271 636605906 /nfs/dbraw/zinc/60/59/06/636605906.db2.gz CCZCHUZXKHHVAT-UHFFFAOYSA-N 1 1 255.720 3.383 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1O ZINC000848882135 636671704 /nfs/dbraw/zinc/67/17/04/636671704.db2.gz LYBLQLIDGBFUGQ-CQSZACIVSA-N 1 1 285.391 3.057 20 10 CGCDMO CCc1cccc(C[N@H+](C)Cc2ccn(CC)c2)c1O ZINC000848905449 636683434 /nfs/dbraw/zinc/68/34/34/636683434.db2.gz HQWLVCNEJQYCNS-UHFFFAOYSA-N 1 1 272.392 3.408 20 10 CGCDMO CCc1cccc(CNC2CC([NH+]3CCCCC3)C2)c1O ZINC000848907666 636685570 /nfs/dbraw/zinc/68/55/70/636685570.db2.gz 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293.370 3.210 20 10 CGCDMO C[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccccc1O ZINC000111235394 637804322 /nfs/dbraw/zinc/80/43/22/637804322.db2.gz WNNGMIPICURTBT-UHFFFAOYSA-N 1 1 293.370 3.210 20 10 CGCDMO C[C@@H](NCc1cc(N)cc[nH+]1)c1cc2c(cc1O)CCCC2 ZINC000925769110 638603958 /nfs/dbraw/zinc/60/39/58/638603958.db2.gz YIMLAMBTIAZICZ-GFCCVEGCSA-N 1 1 297.402 3.099 20 10 CGCDMO C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cc(Cl)ccc1[O-] ZINC000925839414 638628232 /nfs/dbraw/zinc/62/82/32/638628232.db2.gz BPYZDRDLBTUJSM-HFBAOOFYSA-N 1 1 294.826 3.228 20 10 CGCDMO CC(C)CC[C@@H](CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000858240639 638661314 /nfs/dbraw/zinc/66/13/14/638661314.db2.gz CKOLXVDZWSKOMG-JTQLQIEISA-N 1 1 289.778 3.071 20 10 CGCDMO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)c(O)c1C ZINC000858490086 638740383 /nfs/dbraw/zinc/74/03/83/638740383.db2.gz BAWFSWNVJQZOFA-HZPDHXFCSA-N 1 1 290.451 3.392 20 10 CGCDMO C[C@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1c(O)cccc1F ZINC000926916967 638825078 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299.414 3.046 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)c1O ZINC000093480866 640771867 /nfs/dbraw/zinc/77/18/67/640771867.db2.gz UDKOYKSKEPLTEO-CHWSQXEVSA-N 1 1 263.381 3.269 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCS[C@H](CC)C2)c1 ZINC000093502361 640773362 /nfs/dbraw/zinc/77/33/62/640773362.db2.gz OYOSGYFXTKXGHL-CQSZACIVSA-N 1 1 281.421 3.118 20 10 CGCDMO COc1ccc2cc[nH+]c(NCc3ccc(O)c(O)c3)c2c1 ZINC001158997403 806029556 /nfs/dbraw/zinc/02/95/56/806029556.db2.gz GXGQNPUIXBAYCY-UHFFFAOYSA-N 1 1 296.326 3.267 20 10 CGCDMO C[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H](O)C(C)(C)C ZINC001253725582 806286999 /nfs/dbraw/zinc/28/69/99/806286999.db2.gz XLVZJPMFIPSXDP-QGZVFWFLSA-N 1 1 290.451 3.126 20 10 CGCDMO CC[NH+](CC)CCCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000037210939 798862638 /nfs/dbraw/zinc/86/26/38/798862638.db2.gz OCOVZDXEQHGPTR-OAHLLOKOSA-N 1 1 277.456 3.135 20 10 CGCDMO CC[C@@H](C)C[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000037323314 798866406 /nfs/dbraw/zinc/86/64/06/798866406.db2.gz NYFGUEVZYAJURX-SNVBAGLBSA-N 1 1 267.344 3.212 20 10 CGCDMO CC[C@@H](C)C[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000037323314 798866408 /nfs/dbraw/zinc/86/64/08/798866408.db2.gz NYFGUEVZYAJURX-SNVBAGLBSA-N 1 1 267.344 3.212 20 10 CGCDMO COc1ccc(C[N@H+]2CCC3(CCCC3)C2)c(O)c1 ZINC000093336696 798964294 /nfs/dbraw/zinc/96/42/94/798964294.db2.gz PCCBXFYVHGQQDI-UHFFFAOYSA-N 1 1 261.365 3.167 20 10 CGCDMO COc1cccc(C[N@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)c1O ZINC000168237207 799085873 /nfs/dbraw/zinc/08/58/73/799085873.db2.gz CZVWNIIBPMGVNP-UPJWGTAASA-N 1 1 263.381 3.267 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)[C@@H]1C ZINC000380726793 799365827 /nfs/dbraw/zinc/36/58/27/799365827.db2.gz FWIKOHVJPIUNHQ-NXEZZACHSA-N 1 1 284.197 3.385 20 10 CGCDMO CC/C=C/C[NH2+]Cc1cccc(Br)c1O ZINC000384981636 799420731 /nfs/dbraw/zinc/42/07/31/799420731.db2.gz JNLNJPLSXCYNJF-ONEGZZNKSA-N 1 1 270.170 3.211 20 10 CGCDMO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000391853743 799478898 /nfs/dbraw/zinc/47/88/98/799478898.db2.gz TZJLCXQXCZAYGX-MNOVXSKESA-N 1 1 290.436 3.324 20 10 CGCDMO C[C@@H]([NH2+][C@@H](CO)C1CCCCC1)c1ccc(F)cc1O ZINC000395239754 799504151 /nfs/dbraw/zinc/50/41/51/799504151.db2.gz YHUZLWUXORTJGA-ABAIWWIYSA-N 1 1 281.371 3.123 20 10 CGCDMO COCCCC[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000397096260 799513409 /nfs/dbraw/zinc/51/34/09/799513409.db2.gz AUNYTLFPAZLMRT-UHFFFAOYSA-N 1 1 273.376 3.404 20 10 CGCDMO Oc1c(Br)cccc1C[NH+]1C2CCC1CC2 ZINC000398902972 799533514 /nfs/dbraw/zinc/53/35/14/799533514.db2.gz QNTJSWQYVSJOTG-UHFFFAOYSA-N 1 1 282.181 3.282 20 10 CGCDMO CC[N@@H+](Cc1cc(Cl)cc(OC)c1O)[C@H]1CCCOC1 ZINC000402731576 799563736 /nfs/dbraw/zinc/56/37/36/799563736.db2.gz KNWDQQFLBJVDBR-ZDUSSCGKSA-N 1 1 299.798 3.055 20 10 CGCDMO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)[C@H](C)CO1 ZINC000403810486 799572185 /nfs/dbraw/zinc/57/21/85/799572185.db2.gz JOUHZPZPHUOJLI-MFKMUULPSA-N 1 1 299.798 3.054 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2O)[C@H](C)CO1 ZINC000403810486 799572191 /nfs/dbraw/zinc/57/21/91/799572191.db2.gz JOUHZPZPHUOJLI-MFKMUULPSA-N 1 1 299.798 3.054 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cccc(C)c2O)[C@@H](CC)CO1 ZINC000403890109 799572354 /nfs/dbraw/zinc/57/23/54/799572354.db2.gz WMJCAHRGNIPWQP-LSDHHAIUSA-N 1 1 263.381 3.090 20 10 CGCDMO CO[C@H](C)C[N@@H+](Cc1cc(Cl)ccc1O)C(C)C ZINC000688097936 799745144 /nfs/dbraw/zinc/74/51/44/799745144.db2.gz ZHIFUWRPTUDEKN-LLVKDONJSA-N 1 1 271.788 3.291 20 10 CGCDMO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)c1ccccn1 ZINC000692696326 799797105 /nfs/dbraw/zinc/79/71/05/799797105.db2.gz OXHHRVRVCDOVMM-NEPJUHHUSA-N 1 1 274.339 3.381 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCC[C@H](F)C1 ZINC000701658979 799891806 /nfs/dbraw/zinc/89/18/06/799891806.db2.gz QCVMVJYRDQZDLL-ZDUSSCGKSA-N 1 1 259.324 3.479 20 10 CGCDMO CCCO[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000706217051 799958868 /nfs/dbraw/zinc/95/88/68/799958868.db2.gz QAHOBPHRYXRJRB-NSHDSACASA-N 1 1 269.772 3.047 20 10 CGCDMO CC[NH+](CC)CC[C@H](C)NCc1ccc(OC)c(C)c1 ZINC001255950439 806794878 /nfs/dbraw/zinc/79/48/78/806794878.db2.gz HILGOKVPVIPBPX-HNNXBMFYSA-N 1 1 278.440 3.214 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)C2(C)CCCC2)c1O ZINC000720385796 800257644 /nfs/dbraw/zinc/25/76/44/800257644.db2.gz LGLMPSPLFCAWJI-UHFFFAOYSA-N 1 1 279.355 3.498 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)C2(C)CCCC2)c1O ZINC000720385796 800257647 /nfs/dbraw/zinc/25/76/47/800257647.db2.gz LGLMPSPLFCAWJI-UHFFFAOYSA-N 1 1 279.355 3.498 20 10 CGCDMO Oc1cccc(Br)c1C[N@H+]1CC[C@@H]1C1CC1 ZINC000862384992 800527248 /nfs/dbraw/zinc/52/72/48/800527248.db2.gz NHURQVRGQBQXDE-GFCCVEGCSA-N 1 1 282.181 3.139 20 10 CGCDMO Cc1ncc(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)s1 ZINC001116584942 802382228 /nfs/dbraw/zinc/38/22/28/802382228.db2.gz OKHWKYFKTNFBMV-SSDOTTSWSA-N 1 1 284.331 3.286 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H](F)C2)c1 ZINC001118177427 802534727 /nfs/dbraw/zinc/53/47/27/802534727.db2.gz RAOBCASOJQOZBC-WCFLWFBJSA-N 1 1 295.354 3.110 20 10 CGCDMO CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001118199275 802537850 /nfs/dbraw/zinc/53/78/50/802537850.db2.gz FSRBPQDKWPSFQL-GOSISDBHSA-N 1 1 288.435 3.286 20 10 CGCDMO CS[C@@H]1CC[N@@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001206014428 813166780 /nfs/dbraw/zinc/16/67/80/813166780.db2.gz FKSPBBHFDHOJAP-CQSZACIVSA-N 1 1 265.422 3.453 20 10 CGCDMO C[C@@H](C[N@H+]1CCCc2cc(O)c(O)cc2C1)C(F)(F)F ZINC001208892063 813884124 /nfs/dbraw/zinc/88/41/24/813884124.db2.gz NHYDJVOCIODBKJ-VIFPVBQESA-N 1 1 289.297 3.044 20 10 CGCDMO Oc1cccc(F)c1C[NH+]1CCC(c2ccccn2)CC1 ZINC001137837321 803780505 /nfs/dbraw/zinc/78/05/05/803780505.db2.gz BCSOSGNYTSHHSG-UHFFFAOYSA-N 1 1 286.350 3.306 20 10 CGCDMO Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)n1-c1ccccc1 ZINC001137854141 803784024 /nfs/dbraw/zinc/78/40/24/803784024.db2.gz JVLSQURLMZWKGG-KDURUIRLSA-N 1 1 296.414 3.457 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)Cc1cccc(F)c1O ZINC001138129868 803865446 /nfs/dbraw/zinc/86/54/46/803865446.db2.gz XIXYMSPETIFNNS-UHFFFAOYSA-N 1 1 275.323 3.259 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1cccc(F)c1O ZINC001138129868 803865455 /nfs/dbraw/zinc/86/54/55/803865455.db2.gz XIXYMSPETIFNNS-UHFFFAOYSA-N 1 1 275.323 3.259 20 10 CGCDMO Cc1c(CN2CC[N@H+](C(C)C)[C@@H](C)C2)c2ccccc2n1C ZINC001138259485 803885646 /nfs/dbraw/zinc/88/56/46/803885646.db2.gz IGDCHSULKYXNOK-HNNXBMFYSA-N 1 1 299.462 3.401 20 10 CGCDMO Cc1c(C[N@H+]2CCN(C(C)C)[C@@H](C)C2)c2ccccc2n1C ZINC001138259485 803885655 /nfs/dbraw/zinc/88/56/55/803885655.db2.gz IGDCHSULKYXNOK-HNNXBMFYSA-N 1 1 299.462 3.401 20 10 CGCDMO Cc1c(C[N@@H+]2CCN(C(C)C)[C@@H](C)C2)c2ccccc2n1C ZINC001138259485 803885665 /nfs/dbraw/zinc/88/56/65/803885665.db2.gz IGDCHSULKYXNOK-HNNXBMFYSA-N 1 1 299.462 3.401 20 10 CGCDMO Cc1cnc(Cl)c(C[N@@H+]2CCc3cccc(O)c3C2)c1 ZINC001139595016 804216807 /nfs/dbraw/zinc/21/68/07/804216807.db2.gz GZXGNGJZWSEMIH-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1cnc(Cl)c(C[N@H+]2CCc3cccc(O)c3C2)c1 ZINC001139595016 804216811 /nfs/dbraw/zinc/21/68/11/804216811.db2.gz GZXGNGJZWSEMIH-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1ccn2cc(C[N@@H+](C)Cc3cc(F)ccc3O)nc2c1 ZINC001140056055 804363757 /nfs/dbraw/zinc/36/37/57/804363757.db2.gz GLHOCOHIOOHDBN-UHFFFAOYSA-N 1 1 299.349 3.119 20 10 CGCDMO Cc1ccn2cc(C[N@H+](C)Cc3cc(F)ccc3O)nc2c1 ZINC001140056055 804363766 /nfs/dbraw/zinc/36/37/66/804363766.db2.gz GLHOCOHIOOHDBN-UHFFFAOYSA-N 1 1 299.349 3.119 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@]3(C2)CCCOC3)c1O ZINC001140183303 804396577 /nfs/dbraw/zinc/39/65/77/804396577.db2.gz BCTINLDAYGEJKB-KRWDZBQOSA-N 1 1 275.392 3.012 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@H](C(F)(F)F)C2)c1O ZINC001140182068 804397308 /nfs/dbraw/zinc/39/73/08/804397308.db2.gz HOZUEMKARGHKRI-NSHDSACASA-N 1 1 273.298 3.393 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CCCCC(F)(F)C2)c1 ZINC001140617315 804476971 /nfs/dbraw/zinc/47/69/71/804476971.db2.gz MNRILCIHQJIKEY-UHFFFAOYSA-N 1 1 255.308 3.322 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCCCC(F)(F)C2)c1 ZINC001140617315 804476972 /nfs/dbraw/zinc/47/69/72/804476972.db2.gz MNRILCIHQJIKEY-UHFFFAOYSA-N 1 1 255.308 3.322 20 10 CGCDMO CC[C@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140661589 804486009 /nfs/dbraw/zinc/48/60/09/804486009.db2.gz KNELXFIGLQVTJK-HNNXBMFYSA-N 1 1 292.398 3.037 20 10 CGCDMO Cc1cc(F)ccc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001140781960 804512035 /nfs/dbraw/zinc/51/20/35/804512035.db2.gz WNQPBEGEQFQZRB-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCC2CC2)c(O)c1 ZINC001140855538 804533695 /nfs/dbraw/zinc/53/36/95/804533695.db2.gz DORNWFZHOXZFLI-UHFFFAOYSA-N 1 1 276.424 3.470 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccncc2)c(O)c1 ZINC001140850023 804534084 /nfs/dbraw/zinc/53/40/84/804534084.db2.gz ARVIXHQUORCRPD-UHFFFAOYSA-N 1 1 299.418 3.265 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1ccc(O)c(F)c1F ZINC001140893211 804545014 /nfs/dbraw/zinc/54/50/14/804545014.db2.gz KYAMVSRYGYBAOW-UHFFFAOYSA-N 1 1 293.313 3.398 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](CCO)C2)c(Cl)c1 ZINC001140925713 804550134 /nfs/dbraw/zinc/55/01/34/804550134.db2.gz VDLZVSDKEIGCSB-CYBMUJFWSA-N 1 1 296.842 3.000 20 10 CGCDMO Cc1ccc(C[N@H+]2CCc3cc(F)ccc3C2)c(O)c1 ZINC001140957480 804557432 /nfs/dbraw/zinc/55/74/32/804557432.db2.gz AOUOCSTZYSIWSW-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO Cc1ccc(C[N@@H+](C)Cc2cccnc2C)c(O)c1 ZINC001140953608 804557844 /nfs/dbraw/zinc/55/78/44/804557844.db2.gz DKTAFSOFNKIWEG-UHFFFAOYSA-N 1 1 256.349 3.036 20 10 CGCDMO CN1CCOc2cc(C[N@@H+](C)Cc3ccccc3)ccc21 ZINC001141138907 804597045 /nfs/dbraw/zinc/59/70/45/804597045.db2.gz CTTIJHIVNBSNFM-UHFFFAOYSA-N 1 1 282.387 3.147 20 10 CGCDMO C[N@@H+](Cc1cc(O)ccc1O)[C@@H]1CCc2ccccc21 ZINC001141162890 804601426 /nfs/dbraw/zinc/60/14/26/804601426.db2.gz JIWDBQSVYISANJ-MRXNPFEDSA-N 1 1 269.344 3.217 20 10 CGCDMO C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(O)ccc1O ZINC001141160461 804602108 /nfs/dbraw/zinc/60/21/08/804602108.db2.gz ZDMPGECZGWYQIM-UHFFFAOYSA-N 1 1 277.751 3.383 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC001141160054 804602244 /nfs/dbraw/zinc/60/22/44/804602244.db2.gz QFZFNHDBOIQYCC-LBPRGKRZSA-N 1 1 287.334 3.226 20 10 CGCDMO Oc1c(F)cc(F)cc1Nc1cc[nH+]cc1C(F)(F)F ZINC001212477847 815033861 /nfs/dbraw/zinc/03/38/61/815033861.db2.gz NZAVCPXPLSWVLX-UHFFFAOYSA-N 1 1 290.191 3.250 20 10 CGCDMO CCC1CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142508949 804727727 /nfs/dbraw/zinc/72/77/27/804727727.db2.gz QPPHHEIPDFDVFJ-UHFFFAOYSA-N 1 1 255.308 3.292 20 10 CGCDMO C[N@@H+](CCc1cccs1)Cc1cc(F)c(F)cc1[O-] ZINC001142524915 804731734 /nfs/dbraw/zinc/73/17/34/804731734.db2.gz PMUOMYAOOYUNSG-UHFFFAOYSA-N 1 1 283.343 3.406 20 10 CGCDMO C[N@H+](CCc1cccs1)Cc1cc(F)c(F)cc1O ZINC001142524915 804731737 /nfs/dbraw/zinc/73/17/37/804731737.db2.gz PMUOMYAOOYUNSG-UHFFFAOYSA-N 1 1 283.343 3.406 20 10 CGCDMO C[N@@H+](CCc1cccs1)Cc1cc(F)c(F)cc1O ZINC001142524915 804731740 /nfs/dbraw/zinc/73/17/40/804731740.db2.gz PMUOMYAOOYUNSG-UHFFFAOYSA-N 1 1 283.343 3.406 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001142524666 804732333 /nfs/dbraw/zinc/73/23/33/804732333.db2.gz GBHNGFSYLWJDNY-MRVPVSSYSA-N 1 1 281.224 3.055 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001142524666 804732336 /nfs/dbraw/zinc/73/23/36/804732336.db2.gz GBHNGFSYLWJDNY-MRVPVSSYSA-N 1 1 281.224 3.055 20 10 CGCDMO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142521043 804732440 /nfs/dbraw/zinc/73/24/40/804732440.db2.gz VFEPNVKNDXJPKT-VHSXEESVSA-N 1 1 255.308 3.291 20 10 CGCDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142521043 804732445 /nfs/dbraw/zinc/73/24/45/804732445.db2.gz VFEPNVKNDXJPKT-VHSXEESVSA-N 1 1 255.308 3.291 20 10 CGCDMO [O-]c1cc(F)c(F)cc1C[N@H+]1CCCCC12CC2 ZINC001142527206 804733744 /nfs/dbraw/zinc/73/37/44/804733744.db2.gz OIYZOMDDANNNLV-UHFFFAOYSA-N 1 1 253.292 3.189 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCCCC12CC2 ZINC001142527206 804733749 /nfs/dbraw/zinc/73/37/49/804733749.db2.gz OIYZOMDDANNNLV-UHFFFAOYSA-N 1 1 253.292 3.189 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCCCC12CC2 ZINC001142527206 804733754 /nfs/dbraw/zinc/73/37/54/804733754.db2.gz OIYZOMDDANNNLV-UHFFFAOYSA-N 1 1 253.292 3.189 20 10 CGCDMO CC[N@@H+](Cc1cccc2[nH]cnc21)Cc1ccccc1O ZINC001142692443 804758266 /nfs/dbraw/zinc/75/82/66/804758266.db2.gz CXFZTVJYZSNQMS-UHFFFAOYSA-N 1 1 281.359 3.291 20 10 CGCDMO CC[N@H+](Cc1cccc2nc[nH]c21)Cc1ccccc1O ZINC001142692443 804758274 /nfs/dbraw/zinc/75/82/74/804758274.db2.gz CXFZTVJYZSNQMS-UHFFFAOYSA-N 1 1 281.359 3.291 20 10 CGCDMO CC[N@@H+](Cc1cccc2nc[nH]c21)Cc1ccccc1O ZINC001142692443 804758279 /nfs/dbraw/zinc/75/82/79/804758279.db2.gz CXFZTVJYZSNQMS-UHFFFAOYSA-N 1 1 281.359 3.291 20 10 CGCDMO COC[C@H]1CCC[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143104471 804802350 /nfs/dbraw/zinc/80/23/50/804802350.db2.gz SVXLPCDAVHFXHA-CQSZACIVSA-N 1 1 277.408 3.301 20 10 CGCDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2c(O)cc(O)cc2O)c1 ZINC001144499816 804995862 /nfs/dbraw/zinc/99/58/62/804995862.db2.gz JYYYUHVIDKWDEW-INIZCTEOSA-N 1 1 299.370 3.449 20 10 CGCDMO CC(C)(C)c1cc(O)c(C[NH+]2CC(C)(CO)C2)cc1Cl ZINC001248880081 805031107 /nfs/dbraw/zinc/03/11/07/805031107.db2.gz GHQGXERTJYDYFC-UHFFFAOYSA-N 1 1 297.826 3.157 20 10 CGCDMO CC(C)(C)c1cc(O)c(C[N@H+]2CC[C@H](CO)C2)cc1Cl ZINC001248883464 805033394 /nfs/dbraw/zinc/03/33/94/805033394.db2.gz HYPMDOCVVZZJBK-NSHDSACASA-N 1 1 297.826 3.157 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)C1CCN(C(C)C)CC1 ZINC001257222045 807064846 /nfs/dbraw/zinc/06/48/46/807064846.db2.gz QJPHUVRZLOZLEO-UHFFFAOYSA-N 1 1 276.424 3.087 20 10 CGCDMO C[C@@H](Cc1ccco1)[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001258198836 807358947 /nfs/dbraw/zinc/35/89/47/807358947.db2.gz KRWNMVAZNWEYMC-LBPRGKRZSA-N 1 1 287.359 3.070 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCCOCC1 ZINC001170827864 807919233 /nfs/dbraw/zinc/91/92/33/807919233.db2.gz OIMACDDEYIGCJV-QGZVFWFLSA-N 1 1 288.435 3.288 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172128346 808187154 /nfs/dbraw/zinc/18/71/54/808187154.db2.gz RGRYZRHNILXGLL-FVQHAEBGSA-N 1 1 288.435 3.229 20 10 CGCDMO CC(=O)c1cccc(Nc2cc[nH+]c3ccccc23)c1O ZINC001174039973 808837765 /nfs/dbraw/zinc/83/77/65/808837765.db2.gz LENYKKMWWRXRNM-UHFFFAOYSA-N 1 1 278.311 3.309 20 10 CGCDMO COc1ccc(N2CC[C@H]3[C@@H]2CC[N@H+]3C2CCCC2)cc1 ZINC001276927781 809044595 /nfs/dbraw/zinc/04/45/95/809044595.db2.gz UWFRIGMKOCVXNP-ROUUACIJSA-N 1 1 286.419 3.291 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)[C@@H](C)C2(C)CC2)c(O)c1 ZINC001179973536 809964866 /nfs/dbraw/zinc/96/48/66/809964866.db2.gz BXYHRXWNWBIXRU-LBPRGKRZSA-N 1 1 263.381 3.330 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC001180082805 809972090 /nfs/dbraw/zinc/97/20/90/809972090.db2.gz TVEXINRVLRZPLE-REMYHPOOSA-N 1 1 270.420 3.498 20 10 CGCDMO Cc1cc(O)c(CN2CCC[N@H+](C(C)C)CC2)cc1Cl ZINC001180488242 810006395 /nfs/dbraw/zinc/00/63/95/810006395.db2.gz FUTPBTXFKXDWQA-UHFFFAOYSA-N 1 1 296.842 3.270 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCSCC[C@@H]2C)c(O)c1 ZINC001180866089 810024498 /nfs/dbraw/zinc/02/44/98/810024498.db2.gz YPCVZWMDDJFGGO-LBPRGKRZSA-N 1 1 281.421 3.037 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC001183920237 810169605 /nfs/dbraw/zinc/16/96/05/810169605.db2.gz VWYYETJJLHRDCR-KGLIPLIRSA-N 1 1 271.335 3.425 20 10 CGCDMO Oc1cc2c(cc1O)C[N@@H+](CCc1ccccc1)CCC2 ZINC001201606345 811920008 /nfs/dbraw/zinc/92/00/08/811920008.db2.gz ZDWDJBJMJPITLY-UHFFFAOYSA-N 1 1 283.371 3.089 20 10 CGCDMO Oc1cc2c(cc1O)C[N@@H+](CC1CCCC1)CCC2 ZINC001202177916 812031702 /nfs/dbraw/zinc/03/17/02/812031702.db2.gz HGRWNQCWIHHBBQ-UHFFFAOYSA-N 1 1 261.365 3.036 20 10 CGCDMO CCCOc1ccc(CNC[C@@H](C)C[NH+](C)C)cc1C ZINC001202587864 812128825 /nfs/dbraw/zinc/12/88/25/812128825.db2.gz SXNAKOKLJYOWFX-CQSZACIVSA-N 1 1 278.440 3.071 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2ccccc2O)CCC1(F)F ZINC001203550043 812390492 /nfs/dbraw/zinc/39/04/92/812390492.db2.gz FZTPGZIVPLIVHG-NSHDSACASA-N 1 1 255.308 3.259 20 10 CGCDMO Cc1ncccc1C[N@H+](C)Cc1cc(Cl)ccc1O ZINC001203664644 812422047 /nfs/dbraw/zinc/42/20/47/812422047.db2.gz OWMUEZMDYXSEFT-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)cc1 ZINC001203930548 812495123 /nfs/dbraw/zinc/49/51/23/812495123.db2.gz YIAYDIKBOGBNDQ-IAGOWNOFSA-N 1 1 286.419 3.086 20 10 CGCDMO C[C@H]1CC[C@H](C)[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001204163722 812559827 /nfs/dbraw/zinc/55/98/27/812559827.db2.gz SWSLGPWJMZHQQB-UWVGGRQHSA-N 1 1 255.308 3.291 20 10 CGCDMO C[C@H]1CC[C@H](C)[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001204163722 812559828 /nfs/dbraw/zinc/55/98/28/812559828.db2.gz SWSLGPWJMZHQQB-UWVGGRQHSA-N 1 1 255.308 3.291 20 10 CGCDMO CCOC1C[NH+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204232699 812580078 /nfs/dbraw/zinc/58/00/78/812580078.db2.gz ISTHPRANEBFMCR-UHFFFAOYSA-N 1 1 284.403 3.127 20 10 CGCDMO Oc1ccc(C[N@H+]2CCc3cc(Cl)ccc3C2)c(O)c1 ZINC001204278304 812593654 /nfs/dbraw/zinc/59/36/54/812593654.db2.gz DGRLWWGRNKPJRZ-UHFFFAOYSA-N 1 1 289.762 3.310 20 10 CGCDMO Oc1ccc(C[N@@H+]2CC=C(c3ccccc3)CC2)c(O)c1 ZINC001204279959 812594594 /nfs/dbraw/zinc/59/45/94/812594594.db2.gz GMMJVHXFFOOWJF-UHFFFAOYSA-N 1 1 281.355 3.387 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2ccc(O)cc2O)cc1C ZINC001204277242 812594799 /nfs/dbraw/zinc/59/47/99/812594799.db2.gz ADCVBHIITCKQAD-UHFFFAOYSA-N 1 1 271.360 3.347 20 10 CGCDMO COc1ccc2c(c1)C[N@H+](Cc1ccc(O)cc1O)CCC2 ZINC001204277907 812595254 /nfs/dbraw/zinc/59/52/54/812595254.db2.gz OHSIVHBZOMJFOU-UHFFFAOYSA-N 1 1 299.370 3.055 20 10 CGCDMO CCc1ccc(C[N@@H+](C)Cc2ccc(O)cc2O)cc1 ZINC001204281038 812595787 /nfs/dbraw/zinc/59/57/87/812595787.db2.gz NWRBLIOAHBFHHA-UHFFFAOYSA-N 1 1 271.360 3.292 20 10 CGCDMO C[N@@H+](CC/C=C/c1cccnc1)Cc1ccc(O)cc1O ZINC001204281042 812596111 /nfs/dbraw/zinc/59/61/11/812596111.db2.gz NXZCOOGQDFRXIG-GORDUTHDSA-N 1 1 284.359 3.028 20 10 CGCDMO COc1cc(C[N@@H+](C)C/C=C/c2ccccc2)cc(O)c1O ZINC001204346099 812615640 /nfs/dbraw/zinc/61/56/40/812615640.db2.gz LDGKMPLJJOSPGT-RMKNXTFCSA-N 1 1 299.370 3.252 20 10 CGCDMO COc1cc(C[N@H+]2Cc3ccccc3[C@@H](C)C2)cc(O)c1O ZINC001204341408 812616600 /nfs/dbraw/zinc/61/66/00/812616600.db2.gz BSQASDZVYOQPDR-LBPRGKRZSA-N 1 1 299.370 3.226 20 10 CGCDMO COc1cc(C[N@@H+]2Cc3ccccc3[C@@H](C)C2)cc(O)c1O ZINC001204341408 812616605 /nfs/dbraw/zinc/61/66/05/812616605.db2.gz BSQASDZVYOQPDR-LBPRGKRZSA-N 1 1 299.370 3.226 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@H]2c2ccccc2)cc(O)c1O ZINC001204341390 812616777 /nfs/dbraw/zinc/61/67/77/812616777.db2.gz BJIVLAIJHMZQFQ-HNNXBMFYSA-N 1 1 299.370 3.444 20 10 CGCDMO CC[N@@H+](Cc1ccccn1)Cc1c(C)cc(OC)cc1O ZINC001204875583 812760815 /nfs/dbraw/zinc/76/08/15/812760815.db2.gz NUFDJAPJBIGGPO-UHFFFAOYSA-N 1 1 286.375 3.126 20 10 CGCDMO Cc1cc(C[N@@H+]2[C@@H](C)CC[C@H]2CN)c(C)n1-c1ccccc1 ZINC001205064144 812843495 /nfs/dbraw/zinc/84/34/95/812843495.db2.gz JQWVGMLHBYNFPL-LIRRHRJNSA-N 1 1 297.446 3.406 20 10 CGCDMO Cc1cc(C[N@H+]2[C@@H](C)CC[C@H]2CN)c(C)n1-c1ccccc1 ZINC001205064144 812843499 /nfs/dbraw/zinc/84/34/99/812843499.db2.gz JQWVGMLHBYNFPL-LIRRHRJNSA-N 1 1 297.446 3.406 20 10 CGCDMO C[C@H]1CC[C@@H](CN)[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001205082709 812853911 /nfs/dbraw/zinc/85/39/11/812853911.db2.gz ILCRGCCGNKGKRP-WFASDCNBSA-N 1 1 276.424 3.001 20 10 CGCDMO Cc1cc(C[N@H+]2CCc3cccc(O)c3C2)ccc1F ZINC001205193068 812904392 /nfs/dbraw/zinc/90/43/92/812904392.db2.gz NYLRNTZIZFMXOA-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO Cc1cc([O-])c(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1Cl ZINC001206012220 813164760 /nfs/dbraw/zinc/16/47/60/813164760.db2.gz JDSRYARPESEJDO-CHWSQXEVSA-N 1 1 296.842 3.161 20 10 CGCDMO Cc1cc([O-])c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1Cl ZINC001206012220 813164765 /nfs/dbraw/zinc/16/47/65/813164765.db2.gz JDSRYARPESEJDO-CHWSQXEVSA-N 1 1 296.842 3.161 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+]CCC1(F)CCC1 ZINC001206128199 813208344 /nfs/dbraw/zinc/20/83/44/813208344.db2.gz SIKJQRGWWUEZCC-UHFFFAOYSA-N 1 1 259.271 3.042 20 10 CGCDMO CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c([O-])c1 ZINC001206639559 813382767 /nfs/dbraw/zinc/38/27/67/813382767.db2.gz DYIRCBNTBHDZQV-AWEZNQCLSA-N 1 1 290.451 3.251 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c([O-])c1 ZINC001206639559 813382773 /nfs/dbraw/zinc/38/27/73/813382773.db2.gz DYIRCBNTBHDZQV-AWEZNQCLSA-N 1 1 290.451 3.251 20 10 CGCDMO CC(C)c1ccc(O)c(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC001207174026 813504311 /nfs/dbraw/zinc/50/43/11/813504311.db2.gz GNGJPDINTPVKGG-RDJZCZTQSA-N 1 1 288.435 3.042 20 10 CGCDMO CC(C)c1ccc(O)c(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC001207174026 813504314 /nfs/dbraw/zinc/50/43/14/813504314.db2.gz GNGJPDINTPVKGG-RDJZCZTQSA-N 1 1 288.435 3.042 20 10 CGCDMO CC(C)c1ccc(O)c(CN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC001207174026 813504317 /nfs/dbraw/zinc/50/43/17/813504317.db2.gz GNGJPDINTPVKGG-RDJZCZTQSA-N 1 1 288.435 3.042 20 10 CGCDMO CC(C)c1ccc(O)c(CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC001207174026 813504320 /nfs/dbraw/zinc/50/43/20/813504320.db2.gz GNGJPDINTPVKGG-RDJZCZTQSA-N 1 1 288.435 3.042 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)C[C@H]1CCOC(C)(C)C1 ZINC001207359814 813550909 /nfs/dbraw/zinc/55/09/09/813550909.db2.gz AXOSFUZNUIKZRJ-AWEZNQCLSA-N 1 1 277.408 3.419 20 10 CGCDMO C[N@@H+]1CC=C(N(Cc2ccccc2)c2ccc(N)cc2)CC1 ZINC001208909420 813893595 /nfs/dbraw/zinc/89/35/95/813893595.db2.gz ABXAYRRSCVKARZ-UHFFFAOYSA-N 1 1 293.414 3.495 20 10 CGCDMO Cn1c[nH+]cc1N(c1ccccc1)c1ccc(N)cc1 ZINC001211250295 814860466 /nfs/dbraw/zinc/86/04/66/814860466.db2.gz HNTJSGFLOMCDDK-UHFFFAOYSA-N 1 1 264.332 3.472 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@H]2COCc2ccccc2)c1O ZINC001231593161 818131490 /nfs/dbraw/zinc/13/14/90/818131490.db2.gz PYGGHBGPMREFRW-SFHVURJKSA-N 1 1 297.398 3.492 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c1O ZINC001231593296 818132439 /nfs/dbraw/zinc/13/24/39/818132439.db2.gz UATFXXTWENSQFZ-OAHLLOKOSA-N 1 1 282.387 3.475 20 10 CGCDMO COc1cc(C[N@@H+](C)Cc2cccc(C)c2)c(O)cc1O ZINC001231635226 818143785 /nfs/dbraw/zinc/14/37/85/818143785.db2.gz WRMNRZWXLVEXSU-UHFFFAOYSA-N 1 1 287.359 3.047 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@]3(CCO3)C2)cc1Cl ZINC001231870570 818193716 /nfs/dbraw/zinc/19/37/16/818193716.db2.gz JXAVDFVZUARRIB-OAHLLOKOSA-N 1 1 281.783 3.109 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@]23CCOC3)cc1Cl ZINC001231869916 818193817 /nfs/dbraw/zinc/19/38/17/818193817.db2.gz AGLIOXWNIYXOIT-HNNXBMFYSA-N 1 1 281.783 3.109 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cc1Cl ZINC001231870277 818194185 /nfs/dbraw/zinc/19/41/85/818194185.db2.gz RIFGTTJNJAMCSP-GAFUQQFSSA-N 1 1 269.747 3.286 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)CCc2cccnc2)cc1Cl ZINC001231870687 818194283 /nfs/dbraw/zinc/19/42/83/818194283.db2.gz OJPLWGAUSHMNKX-UHFFFAOYSA-N 1 1 290.794 3.424 20 10 CGCDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)c(C)cc1O ZINC001231870387 818194456 /nfs/dbraw/zinc/19/44/56/818194456.db2.gz XSNWJBUGTLMDCQ-PBWFPOADSA-N 1 1 295.810 3.496 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)cc1Cl ZINC001231870051 818194769 /nfs/dbraw/zinc/19/47/69/818194769.db2.gz HLDFXIUCAXOWLK-CNDDSTCGSA-N 1 1 269.747 3.001 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CC[C@]1(C)O ZINC001231879577 818199018 /nfs/dbraw/zinc/19/90/18/818199018.db2.gz JAWYBLKINQGSPJ-ACJLOTCBSA-N 1 1 285.387 3.138 20 10 CGCDMO CC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc2ccccc2c1O ZINC001231881356 818199898 /nfs/dbraw/zinc/19/98/98/818199898.db2.gz VZGXWXVMQHUYGB-KRWDZBQOSA-N 1 1 283.371 3.489 20 10 CGCDMO CC(C)C[N@@H+](C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232198307 818274915 /nfs/dbraw/zinc/27/49/15/818274915.db2.gz PKQNOXXHYOYGKI-UHFFFAOYSA-N 1 1 296.842 3.264 20 10 CGCDMO C[N@@H+](Cc1ccc(Br)[nH]1)Cc1ccccc1O ZINC001232694428 818420676 /nfs/dbraw/zinc/42/06/76/818420676.db2.gz ORPQSODCQBVRDJ-UHFFFAOYSA-N 1 1 295.180 3.115 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2O)C[C@H]1C ZINC001232834856 818451543 /nfs/dbraw/zinc/45/15/43/818451543.db2.gz OSTUFCNUHJBBGJ-ZIAGYGMSSA-N 1 1 276.424 3.326 20 10 CGCDMO CCCC[N@@H+](CC)Cc1ccc(N(C)C)cc1O ZINC001232834704 818452265 /nfs/dbraw/zinc/45/22/65/818452265.db2.gz JXSGRVRALABGNL-UHFFFAOYSA-N 1 1 250.386 3.080 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCc3ccccc3C2)c(O)c1 ZINC001232839409 818453012 /nfs/dbraw/zinc/45/30/12/818453012.db2.gz IWXYELCBIDXDQQ-UHFFFAOYSA-N 1 1 296.414 3.407 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1)Cc1cc(O)c(O)c(O)c1 ZINC001233013315 818501865 /nfs/dbraw/zinc/50/18/65/818501865.db2.gz RORMCBBKVNSKEF-UHFFFAOYSA-N 1 1 287.359 3.216 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C[C@]1(C)O ZINC001233284062 818566344 /nfs/dbraw/zinc/56/63/44/818566344.db2.gz GWADBHQPBBMFQQ-ACJLOTCBSA-N 1 1 291.435 3.283 20 10 CGCDMO CC[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233335264 818584732 /nfs/dbraw/zinc/58/47/32/818584732.db2.gz OBQZHNTXFOOPIV-SNVBAGLBSA-N 1 1 255.308 3.292 20 10 CGCDMO CC[C@@H]1CCC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233335264 818584740 /nfs/dbraw/zinc/58/47/40/818584740.db2.gz OBQZHNTXFOOPIV-SNVBAGLBSA-N 1 1 255.308 3.292 20 10 CGCDMO CC[C@@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233335264 818584747 /nfs/dbraw/zinc/58/47/47/818584747.db2.gz OBQZHNTXFOOPIV-SNVBAGLBSA-N 1 1 255.308 3.292 20 10 CGCDMO CC(C)[N@@H+](Cc1c(O)ccc(F)c1F)CC1CC1 ZINC001233334853 818584994 /nfs/dbraw/zinc/58/49/94/818584994.db2.gz WWBBVGWJAWUQDZ-UHFFFAOYSA-N 1 1 255.308 3.291 20 10 CGCDMO CC(C)[N@H+](Cc1c(O)ccc(F)c1F)CC1CC1 ZINC001233334853 818584999 /nfs/dbraw/zinc/58/49/99/818584999.db2.gz WWBBVGWJAWUQDZ-UHFFFAOYSA-N 1 1 255.308 3.291 20 10 CGCDMO Oc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001233455782 818625743 /nfs/dbraw/zinc/62/57/43/818625743.db2.gz YKGFPDUMUFMITP-JOYOIKCWSA-N 1 1 271.282 3.395 20 10 CGCDMO COc1ccc2ccc(O)c(C[N@@H+](C)Cc3ccno3)c2c1 ZINC001234570044 818882731 /nfs/dbraw/zinc/88/27/31/818882731.db2.gz WJLPXKNMMIYHMK-UHFFFAOYSA-N 1 1 298.342 3.174 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2O)CCC1=O ZINC001234992555 818969144 /nfs/dbraw/zinc/96/91/44/818969144.db2.gz PQFKXVFONUQZEW-AWEZNQCLSA-N 1 1 295.382 3.470 20 10 CGCDMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234990603 818970031 /nfs/dbraw/zinc/97/00/31/818970031.db2.gz IHSNRMNNPPAZSB-PBHICJAKSA-N 1 1 297.398 3.404 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)[C@@H]1CO ZINC001235674999 819135021 /nfs/dbraw/zinc/13/50/21/819135021.db2.gz LLMMRPKIXIPHHK-CZUORRHYSA-N 1 1 291.435 3.283 20 10 CGCDMO Nc1ccc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC001235713436 819148829 /nfs/dbraw/zinc/14/88/29/819148829.db2.gz ADQOHMXYCNEWEI-QGZVFWFLSA-N 1 1 266.388 3.333 20 10 CGCDMO CC[N@@H+](Cc1ccc(N)cc1)Cc1ccc(N(C)C)cc1 ZINC001236274038 819411337 /nfs/dbraw/zinc/41/13/37/819411337.db2.gz BOBWZFQDEOURJU-UHFFFAOYSA-N 1 1 283.419 3.357 20 10 CGCDMO COc1cc(C[N@@H+](C)C(C)C)c(O)cc1Br ZINC001236746486 819590155 /nfs/dbraw/zinc/59/01/55/819590155.db2.gz YLJYSTOQZAJUDB-UHFFFAOYSA-N 1 1 288.185 3.004 20 10 CGCDMO CCc1ccc(C[N@H+]2CC[C@H](c3cccnc3)C2)c(O)c1 ZINC001236794252 819597042 /nfs/dbraw/zinc/59/70/42/819597042.db2.gz 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/nfs/dbraw/zinc/85/52/70/937855270.db2.gz MFFDFHZYCLJAJL-BBRMVZONSA-N 1 1 277.408 3.251 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)CCS1 ZINC001474443569 937860183 /nfs/dbraw/zinc/86/01/83/937860183.db2.gz XVWOEKWCLMAITI-JTQLQIEISA-N 1 1 271.813 3.373 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+]C1(C2CCC2)CCC1 ZINC001474572907 937868040 /nfs/dbraw/zinc/86/80/40/937868040.db2.gz LESMPUICIFAEKH-UHFFFAOYSA-N 1 1 267.319 3.483 20 10 CGCDMO Oc1c(F)cccc1C[NH2+]CCCOc1cccc(F)c1 ZINC001474742390 937878289 /nfs/dbraw/zinc/87/82/89/937878289.db2.gz OMXSFCLIWDCYHJ-UHFFFAOYSA-N 1 1 293.313 3.229 20 10 CGCDMO COCC[N@H+](Cc1ccc(Cl)cc1O)CC(C)C ZINC001560642343 938267577 /nfs/dbraw/zinc/26/75/77/938267577.db2.gz SVJRHTYAIJCAHR-UHFFFAOYSA-N 1 1 271.788 3.150 20 10 CGCDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C[C@@H]1O ZINC001560720161 938271851 /nfs/dbraw/zinc/27/18/51/938271851.db2.gz LLXHEMNKFJLHHC-ZFWWWQNUSA-N 1 1 297.826 3.275 20 10 CGCDMO CCCC[N@@H+](CCCO)Cc1c(O)cc(C)cc1Cl ZINC001560811370 938277105 /nfs/dbraw/zinc/27/71/05/938277105.db2.gz ICYMEUYNBDUILK-UHFFFAOYSA-N 1 1 285.815 3.339 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC[C@H](CCF)C2)c(O)c1 ZINC001560931722 938284791 /nfs/dbraw/zinc/28/47/91/938284791.db2.gz OXDWNAPBPDJLDW-CYBMUJFWSA-N 1 1 281.371 3.281 20 10 CGCDMO Cc1ccc(C[NH2+]Cc2cc(F)c(F)cc2O)cc1F ZINC001561019436 938289976 /nfs/dbraw/zinc/28/99/76/938289976.db2.gz CQEWGXVREGERQR-UHFFFAOYSA-N 1 1 281.277 3.408 20 10 CGCDMO COc1ccc(O)c([C@H](C)NC[C@@H]([NH3+])CCC(C)(C)C)c1 ZINC001579230746 962620635 /nfs/dbraw/zinc/62/06/35/962620635.db2.gz YUGMBKUWUGVRJD-STQMWFEESA-N 1 1 294.439 3.205 20 10 CGCDMO CCN(CC)c1ccc(C[NH2+]C2CCN(CC)CC2)cc1 ZINC000037976726 369130013 /nfs/dbraw/zinc/13/00/13/369130013.db2.gz HWCOGJIGWCSLMQ-UHFFFAOYSA-N 1 1 289.467 3.107 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)c1O ZINC000093453487 370134039 /nfs/dbraw/zinc/13/40/39/370134039.db2.gz GXOTZTHTCDPVEW-INIZCTEOSA-N 1 1 298.386 3.441 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000293733157 372464080 /nfs/dbraw/zinc/46/40/80/372464080.db2.gz WOCGSHHGIPCCFO-YVLXSGLVSA-N 1 1 299.773 3.232 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000293842503 372498910 /nfs/dbraw/zinc/49/89/10/372498910.db2.gz BCUGFOAVVSTGFN-JKSUJKDBSA-N 1 1 293.794 3.189 20 10 CGCDMO C[C@@H](CCO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000192882601 375797233 /nfs/dbraw/zinc/79/72/33/375797233.db2.gz ZQYUZVUYSMFOPF-YUMQZZPRSA-N 1 1 278.179 3.121 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000271747925 378503103 /nfs/dbraw/zinc/50/31/03/378503103.db2.gz BFYOFEDHHHVBOL-UHFFFAOYSA-N 1 1 295.810 3.438 20 10 CGCDMO C[C@H](c1ccncc1)[N@H+](C)Cc1cccc(F)c1O ZINC000273426470 378745582 /nfs/dbraw/zinc/74/55/82/378745582.db2.gz RZDUYXCMTKYWCR-LLVKDONJSA-N 1 1 260.312 3.119 20 10 CGCDMO C[C@H](c1ccncc1)[N@@H+](C)Cc1cccc(F)c1O ZINC000273426470 378745586 /nfs/dbraw/zinc/74/55/86/378745586.db2.gz RZDUYXCMTKYWCR-LLVKDONJSA-N 1 1 260.312 3.119 20 10 CGCDMO C[C@H](c1cccnc1)[N@H+](C)Cc1cccc(F)c1O ZINC000273454399 378747613 /nfs/dbraw/zinc/74/76/13/378747613.db2.gz ZOGXMBVHMSOAGK-LLVKDONJSA-N 1 1 260.312 3.119 20 10 CGCDMO C[C@H](c1cccnc1)[N@@H+](C)Cc1cccc(F)c1O ZINC000273454399 378747622 /nfs/dbraw/zinc/74/76/22/378747622.db2.gz ZOGXMBVHMSOAGK-LLVKDONJSA-N 1 1 260.312 3.119 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000371881540 379181305 /nfs/dbraw/zinc/18/13/05/379181305.db2.gz JENPPFTVUWDOSV-UHFFFAOYSA-N 1 1 281.783 3.048 20 10 CGCDMO C[C@H]1COCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000372231376 379193095 /nfs/dbraw/zinc/19/30/95/379193095.db2.gz MDARAYYCKLGOLC-CYBMUJFWSA-N 1 1 271.360 3.014 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1[O-] ZINC000375887848 379514198 /nfs/dbraw/zinc/51/41/98/379514198.db2.gz JUWAFARBXKMDFD-YCPHGPKFSA-N 1 1 292.398 3.199 20 10 CGCDMO c1cc(N2CCCCC2)ccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000376495738 379566784 /nfs/dbraw/zinc/56/67/84/379566784.db2.gz QORDKQITKAQSEY-HDICACEKSA-N 1 1 286.419 3.040 20 10 CGCDMO COCCc1cc[nH+]c(NCc2c(O)cccc2Cl)c1 ZINC000285180434 380145993 /nfs/dbraw/zinc/14/59/93/380145993.db2.gz MXATWRYAKLVENM-UHFFFAOYSA-N 1 1 292.766 3.242 20 10 CGCDMO CCOCCCC[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000285528454 380151169 /nfs/dbraw/zinc/15/11/69/380151169.db2.gz FIHQKULCQNZORL-CQSZACIVSA-N 1 1 269.360 3.389 20 10 CGCDMO CC[C@@H]([NH2+]Cc1nccs1)c1ccc(F)cc1O ZINC000285982858 380154762 /nfs/dbraw/zinc/15/47/62/380154762.db2.gz HTCBWRVQOACLFG-LLVKDONJSA-N 1 1 266.341 3.229 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cc(Cl)ccc1O ZINC000363866766 382258538 /nfs/dbraw/zinc/25/85/38/382258538.db2.gz PGGUNZRGEGBLEW-RNCFNFMXSA-N 1 1 291.782 3.497 20 10 CGCDMO C[N@H+](Cc1c(O)ccc2ccccc21)C[C@H]1CCCOC1 ZINC000107669870 392327754 /nfs/dbraw/zinc/32/77/54/392327754.db2.gz AMNQEMUGTZHYDD-CQSZACIVSA-N 1 1 285.387 3.404 20 10 CGCDMO Cc1cnn(CCCCC[N@H+](C)Cc2ccccc2O)c1 ZINC000111234982 392380326 /nfs/dbraw/zinc/38/03/26/392380326.db2.gz JDNXSGUSHVMNAH-UHFFFAOYSA-N 1 1 287.407 3.199 20 10 CGCDMO CCc1cc(N[C@@H](C)c2cc(OC)ccc2O)nc(C)[nH+]1 ZINC000302030878 392607634 /nfs/dbraw/zinc/60/76/34/392607634.db2.gz BYORZRKNJKYSOP-JTQLQIEISA-N 1 1 287.363 3.235 20 10 CGCDMO Cc1ccc(O)c([C@@H](C)NCC[NH+](C(C)C)C(C)C)c1 ZINC000035628505 172307248 /nfs/dbraw/zinc/30/72/48/172307248.db2.gz XDZRXUQFBOAGIJ-OAHLLOKOSA-N 1 1 278.440 3.470 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc(F)cc1O ZINC000185121581 262042998 /nfs/dbraw/zinc/04/29/98/262042998.db2.gz BNIXNPSBPLJQRG-JTQLQIEISA-N 1 1 293.313 3.014 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(F)cc1O ZINC000185772236 262069771 /nfs/dbraw/zinc/06/97/71/262069771.db2.gz NZNVAKHPMVPCHW-HPAJIGNASA-N 1 1 279.355 3.140 20 10 CGCDMO CCCC[N@@H+](Cc1ccnc(N)c1)Cc1ccccc1O ZINC000282474269 263076918 /nfs/dbraw/zinc/07/69/18/263076918.db2.gz OBKHRCIZWLBFFI-UHFFFAOYSA-N 1 1 285.391 3.172 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC=C(c3ccncc3)C2)c1 ZINC000289725982 263111557 /nfs/dbraw/zinc/11/15/57/263111557.db2.gz POGZGHSJKSRQJA-UHFFFAOYSA-N 1 1 296.370 3.085 20 10 CGCDMO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cccc(F)c1O ZINC000289756048 263111764 /nfs/dbraw/zinc/11/17/64/263111764.db2.gz QWBQZHVEABDHLM-TZMCWYRMSA-N 1 1 281.371 3.047 20 10 CGCDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1cccc(F)c1O ZINC000289756048 263111765 /nfs/dbraw/zinc/11/17/65/263111765.db2.gz QWBQZHVEABDHLM-TZMCWYRMSA-N 1 1 281.371 3.047 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000368739005 267201024 /nfs/dbraw/zinc/20/10/24/267201024.db2.gz FPAIVUOXVJYDBO-MRXNPFEDSA-N 1 1 275.392 3.092 20 10 CGCDMO Cc1[nH+]ccn1-c1ccc(NCc2cc(C)ccc2O)cn1 ZINC000372578820 327684292 /nfs/dbraw/zinc/68/42/92/327684292.db2.gz PIDPGIAMWXXROD-UHFFFAOYSA-N 1 1 294.358 3.202 20 10 CGCDMO CC1(C)[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)[C@@H]2CCO[C@@H]21 ZINC000293754462 328277547 /nfs/dbraw/zinc/27/75/47/328277547.db2.gz YLRRDJNUUHWMHT-FZZIBODNSA-N 1 1 299.773 3.088 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000378345095 329046801 /nfs/dbraw/zinc/04/68/01/329046801.db2.gz HBGHQMGNDRLDBP-CYBMUJFWSA-N 1 1 287.359 3.373 20 10 CGCDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000292986686 520171480 /nfs/dbraw/zinc/17/14/80/520171480.db2.gz FSJQPNNOKNRKPD-KRWDZBQOSA-N 1 1 290.451 3.310 20 10 CGCDMO CC[N@@H+](Cc1cc(F)ccc1O)[C@@H]1CCOC(C)(C)C1 ZINC000291441168 521292262 /nfs/dbraw/zinc/29/22/62/521292262.db2.gz BWCYRUVHIQDYDV-CQSZACIVSA-N 1 1 281.371 3.311 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1O ZINC000127478931 521336786 /nfs/dbraw/zinc/33/67/86/521336786.db2.gz XSIHMBRPTNCSAC-OAHLLOKOSA-N 1 1 286.375 3.456 20 10 CGCDMO CCC[N@H+](CC)C[C@@H](C)N[C@@H](C)c1cc(OC)ccc1O ZINC000290074122 521611146 /nfs/dbraw/zinc/61/11/46/521611146.db2.gz GHJJWDROARBHPO-KGLIPLIRSA-N 1 1 294.439 3.172 20 10 CGCDMO CCC[N@@H+](CC)C[C@@H](C)N[C@@H](C)c1cc(OC)ccc1O ZINC000290074122 521611149 /nfs/dbraw/zinc/61/11/49/521611149.db2.gz GHJJWDROARBHPO-KGLIPLIRSA-N 1 1 294.439 3.172 20 10 CGCDMO CO[C@]1(C)CCC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC000280302409 521751387 /nfs/dbraw/zinc/75/13/87/521751387.db2.gz PAMGPIHGNIGLGY-OAHLLOKOSA-N 1 1 283.799 3.437 20 10 CGCDMO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ccccc1O ZINC000290340568 523121523 /nfs/dbraw/zinc/12/15/23/523121523.db2.gz FKJWZSXBDSMCCL-HNNXBMFYSA-N 1 1 256.349 3.370 20 10 CGCDMO CC[C@@]1(CO)CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000275132877 523737830 /nfs/dbraw/zinc/73/78/30/523737830.db2.gz LIMRYHJTKYUEGD-OAHLLOKOSA-N 1 1 283.799 3.030 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC=C(c3ccco3)C2)c1 ZINC000289667512 524737814 /nfs/dbraw/zinc/73/78/14/524737814.db2.gz YWTUDPBPLGCVCV-UHFFFAOYSA-N 1 1 285.343 3.283 20 10 CGCDMO C[C@H](Cc1ccco1)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000062746793 524747369 /nfs/dbraw/zinc/74/73/69/524747369.db2.gz KQSRSPLLAXPHIK-GHMZBOCLSA-N 1 1 263.312 3.406 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1C ZINC000289617852 525311078 /nfs/dbraw/zinc/31/10/78/525311078.db2.gz LKYNIMAQUUDGGH-SJPCQFCGSA-N 1 1 288.435 3.066 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1C ZINC000289617852 525311085 /nfs/dbraw/zinc/31/10/85/525311085.db2.gz LKYNIMAQUUDGGH-SJPCQFCGSA-N 1 1 288.435 3.066 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc(F)cc1O ZINC000062745015 525531188 /nfs/dbraw/zinc/53/11/88/525531188.db2.gz UQYZZNRRWYGFAP-SNVBAGLBSA-N 1 1 289.306 3.111 20 10 CGCDMO CSC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000292874049 525651275 /nfs/dbraw/zinc/65/12/75/525651275.db2.gz WSISLEUCMNANCT-LLVKDONJSA-N 1 1 269.385 3.106 20 10 CGCDMO C[C@@]12CC[N@@H+](Cc3cc(F)ccc3O)C[C@@H]1C2(F)F ZINC000292782979 525912329 /nfs/dbraw/zinc/91/23/29/525912329.db2.gz LNSXVRRXCCVVRA-QWHCGFSZSA-N 1 1 271.282 3.008 20 10 CGCDMO C[C@H]1C[C@H](C)[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000740857871 571885593 /nfs/dbraw/zinc/88/55/93/571885593.db2.gz BAKBAWYDGXENMS-RYUDHWBXSA-N 1 1 256.349 3.171 20 10 CGCDMO CC[C@@]1(C)CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000743386122 572657386 /nfs/dbraw/zinc/65/73/86/572657386.db2.gz BNDYBJWLTDAZDP-INIZCTEOSA-N 1 1 277.364 3.133 20 10 CGCDMO CSCCC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000743841370 572686954 /nfs/dbraw/zinc/68/69/54/572686954.db2.gz JQPQLYSGTIURKX-UHFFFAOYSA-N 1 1 278.465 3.470 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1C ZINC000747831407 572950757 /nfs/dbraw/zinc/95/07/57/572950757.db2.gz MJXJZVIIQHWSHQ-CVEARBPZSA-N 1 1 289.419 3.258 20 10 CGCDMO CC(C)(O)CC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000749791072 573039675 /nfs/dbraw/zinc/03/96/75/573039675.db2.gz SROYCYIVSSNUFI-UHFFFAOYSA-N 1 1 277.408 3.298 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@H]2C(C)C)c(O)c1OC ZINC000891617746 618242280 /nfs/dbraw/zinc/24/22/80/618242280.db2.gz IFJSCFASEMAFQC-ZDUSSCGKSA-N 1 1 279.380 3.030 20 10 CGCDMO COc1ccc(N2CCC[N@@H+](CC=C(C)C)CC2)cc1 ZINC000052466520 618719338 /nfs/dbraw/zinc/71/93/38/618719338.db2.gz QABIXSJTAXXJDK-UHFFFAOYSA-N 1 1 274.408 3.174 20 10 CGCDMO CC(C)CN1CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000183406041 619044419 /nfs/dbraw/zinc/04/44/19/619044419.db2.gz OEDNRAYRXIWKJV-AWEZNQCLSA-N 1 1 276.424 3.163 20 10 CGCDMO CSC[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000093761047 619214760 /nfs/dbraw/zinc/21/47/60/619214760.db2.gz GBDCKWZIFVZITN-GFCCVEGCSA-N 1 1 271.813 3.373 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2C)nc1 ZINC000840942134 619237051 /nfs/dbraw/zinc/23/70/51/619237051.db2.gz TUKFYSDHAPJDAR-UHFFFAOYSA-N 1 1 283.419 3.396 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c1[O-] ZINC000925880395 619305969 /nfs/dbraw/zinc/30/59/69/619305969.db2.gz QYGIMGKCQWGLSQ-LOWVWBTDSA-N 1 1 282.815 3.132 20 10 CGCDMO COc1ccc(C[N@H+]2CC(C)(C)[C@H]2C(C)C)c(O)c1OC ZINC000894607317 619585496 /nfs/dbraw/zinc/58/54/96/619585496.db2.gz YGUZKJRUQFHOLA-MRXNPFEDSA-N 1 1 293.407 3.276 20 10 CGCDMO CCc1c[nH]c2nc[nH+]c(N[C@H](C)c3ccccc3O)c12 ZINC000895029299 619699113 /nfs/dbraw/zinc/69/91/13/619699113.db2.gz OHVSMBIBMUQCKC-SNVBAGLBSA-N 1 1 282.347 3.399 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](CF)C2)cc1Cl ZINC000895568040 619854019 /nfs/dbraw/zinc/85/40/19/619854019.db2.gz LPGLSTNTLQRRJJ-SNVBAGLBSA-N 1 1 257.736 3.145 20 10 CGCDMO CCCSC[C@@H](C)[NH2+]Cc1c(O)cccc1F ZINC000896639119 620041319 /nfs/dbraw/zinc/04/13/19/620041319.db2.gz LDGWNVCWSMLPAN-SNVBAGLBSA-N 1 1 257.374 3.153 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccc(Cl)cc1O ZINC000841754093 620392146 /nfs/dbraw/zinc/39/21/46/620392146.db2.gz YTUHLTYCCUWBEA-ZJUUUORDSA-N 1 1 271.813 3.449 20 10 CGCDMO C[C@H]1CC2(CC([NH2+]Cc3c(O)ccc(Cl)c3F)C2)CO1 ZINC000897779937 620430350 /nfs/dbraw/zinc/43/03/50/620430350.db2.gz SSOBICJKBFLBKD-YLTRJXTNSA-N 1 1 299.773 3.232 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000898071580 620477190 /nfs/dbraw/zinc/47/71/90/620477190.db2.gz PLSMBLJMUBRDOR-NSHDSACASA-N 1 1 292.379 3.052 20 10 CGCDMO CCC[C@H](O)CC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000927026268 620564301 /nfs/dbraw/zinc/56/43/01/620564301.db2.gz ZZYLFLQIIOVEPD-JQWIXIFHSA-N 1 1 271.788 3.247 20 10 CGCDMO C[C@@H](NCc1cc(N(C)C)cc[nH+]1)c1ccc(N(C)C)cc1 ZINC000903200959 621624770 /nfs/dbraw/zinc/62/47/70/621624770.db2.gz DBPAYCBKUVCQFP-CQSZACIVSA-N 1 1 298.434 3.064 20 10 CGCDMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1cncs1 ZINC000903311371 621683376 /nfs/dbraw/zinc/68/33/76/621683376.db2.gz OUMDDVLIZDHPII-RKDXNWHRSA-N 1 1 266.341 3.400 20 10 CGCDMO CCOc1cccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C)c1O ZINC000156056271 622677070 /nfs/dbraw/zinc/67/70/70/622677070.db2.gz LJRJFDQIOGWXIY-STQMWFEESA-N 1 1 263.381 3.411 20 10 CGCDMO CCN(CC)c1ccc(CN[C@@H](C)C[NH+](CC)CC)cc1 ZINC000059715308 622811189 /nfs/dbraw/zinc/81/11/89/622811189.db2.gz KPLIXVPCPAZTOR-INIZCTEOSA-N 1 1 291.483 3.353 20 10 CGCDMO CCCCN1CCC([NH2+]Cc2cccc(C)c2O)CC1 ZINC000158122113 623007320 /nfs/dbraw/zinc/00/73/20/623007320.db2.gz RMYVYWTTZYBNEW-UHFFFAOYSA-N 1 1 276.424 3.055 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)Cc2cccs2)c1O ZINC000915809371 624032993 /nfs/dbraw/zinc/03/29/93/624032993.db2.gz MIXNHHFJRFOQHA-UHFFFAOYSA-N 1 1 277.389 3.403 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)Cc2ccccc2OC)c1 ZINC000179559545 624666698 /nfs/dbraw/zinc/66/66/98/624666698.db2.gz SZVSDFTVQIPYQP-UHFFFAOYSA-N 1 1 287.359 3.041 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)C[C@H](C)CC)c1 ZINC000091796702 625795915 /nfs/dbraw/zinc/79/59/15/625795915.db2.gz QXAHBFRCAVEKLN-GFCCVEGCSA-N 1 1 251.370 3.269 20 10 CGCDMO Cc1noc(C)c1C[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000073587274 625799595 /nfs/dbraw/zinc/79/95/95/625799595.db2.gz OSSUFXIDAVZEMA-UHFFFAOYSA-N 1 1 286.375 3.118 20 10 CGCDMO COc1cccc(O)c1C[NH2+]Cc1c(F)cc(C)cc1F ZINC000922947103 626104790 /nfs/dbraw/zinc/10/47/90/626104790.db2.gz QAZPMKODZFBNTO-UHFFFAOYSA-N 1 1 293.313 3.277 20 10 CGCDMO CC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788592403 626183931 /nfs/dbraw/zinc/18/39/31/626183931.db2.gz BXOGDQVZHBNISQ-TVQRCGJNSA-N 1 1 291.313 3.223 20 10 CGCDMO COc1cc(C[N@H+]2CCSC(C)(C)CC2)c(O)cc1C ZINC000788378277 626362072 /nfs/dbraw/zinc/36/20/72/626362072.db2.gz PRTJRQBHRCXTHN-UHFFFAOYSA-N 1 1 295.448 3.427 20 10 CGCDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000754735861 626585514 /nfs/dbraw/zinc/58/55/14/626585514.db2.gz FOSCZYBKXPABHA-TZMCWYRMSA-N 1 1 263.381 3.330 20 10 CGCDMO C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ccccn1 ZINC000756344204 626694093 /nfs/dbraw/zinc/69/40/93/626694093.db2.gz SEHNZCSTVSNIQN-UWVGGRQHSA-N 1 1 278.302 3.477 20 10 CGCDMO Cc1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)cn1 ZINC000756415173 626704039 /nfs/dbraw/zinc/70/40/39/626704039.db2.gz AXETUMLIJYYLBH-JTQLQIEISA-N 1 1 278.302 3.225 20 10 CGCDMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1cncc(F)c1 ZINC000757636693 626795772 /nfs/dbraw/zinc/79/57/72/626795772.db2.gz FQMLPOGGHGMAGJ-UWVGGRQHSA-N 1 1 278.302 3.477 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCOCC2(CCC2)C1 ZINC000761224792 627027399 /nfs/dbraw/zinc/02/73/99/627027399.db2.gz AJLKJHXFGAQROT-UHFFFAOYSA-N 1 1 281.783 3.048 20 10 CGCDMO CCC[N@@H+](Cc1ccnc(OC)c1)Cc1ccccc1O ZINC000762926532 627132015 /nfs/dbraw/zinc/13/20/15/627132015.db2.gz SMZCJTINBKQVHK-UHFFFAOYSA-N 1 1 286.375 3.208 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCC(=O)C2CC2)cc1 ZINC000767361462 627401629 /nfs/dbraw/zinc/40/16/29/627401629.db2.gz MLAXZKQAJJNQNV-UHFFFAOYSA-N 1 1 288.435 3.334 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2c(O)cccc2OC)c1 ZINC000768162347 627464947 /nfs/dbraw/zinc/46/49/47/627464947.db2.gz CCPXASHNOYJCDT-UHFFFAOYSA-N 1 1 287.359 3.041 20 10 CGCDMO CCOc1ccc(C[N@@H+]2CCn3cccc3[C@@H]2C)c(O)c1 ZINC000768162565 627465268 /nfs/dbraw/zinc/46/52/68/627465268.db2.gz QFEFRVHUDKQWOP-ZDUSSCGKSA-N 1 1 286.375 3.169 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCn3cccc3[C@@H]2C)c(O)c1 ZINC000768162565 627465269 /nfs/dbraw/zinc/46/52/69/627465269.db2.gz QFEFRVHUDKQWOP-ZDUSSCGKSA-N 1 1 286.375 3.169 20 10 CGCDMO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C)c(C)cc1O ZINC000768172933 627465860 /nfs/dbraw/zinc/46/58/60/627465860.db2.gz RSCQIELROQMATJ-ZFWWWQNUSA-N 1 1 263.381 3.008 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H]2C(C)C)c(O)c1 ZINC000768317186 627473607 /nfs/dbraw/zinc/47/36/07/627473607.db2.gz GKJZSARWGMQMSN-OAHLLOKOSA-N 1 1 263.381 3.411 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@H]2c2ccccn2)c(O)cc1C ZINC000768441561 627480538 /nfs/dbraw/zinc/48/05/38/627480538.db2.gz DOWCHAXUMZGYFT-INIZCTEOSA-N 1 1 298.386 3.441 20 10 CGCDMO CC[N@@H+](CCC(F)(F)F)Cc1cc(OC)c(C)cc1O ZINC000768445717 627480802 /nfs/dbraw/zinc/48/08/02/627480802.db2.gz TXVKXMZOYMNPHP-UHFFFAOYSA-N 1 1 291.313 3.484 20 10 CGCDMO COc1cc(C[N@H+]2CCOc3ccccc3C2)c(O)cc1C ZINC000768443237 627480873 /nfs/dbraw/zinc/48/08/73/627480873.db2.gz RVPILGAMVFRPJP-UHFFFAOYSA-N 1 1 299.370 3.104 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCOC1 ZINC000768531125 627484427 /nfs/dbraw/zinc/48/44/27/627484427.db2.gz WEYOPSTYKVJOBR-AWEZNQCLSA-N 1 1 263.381 3.031 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCc3ccc(O)cc3C2)c1 ZINC000768868673 627504874 /nfs/dbraw/zinc/50/48/74/627504874.db2.gz PPCFSTNOBCMJAX-UHFFFAOYSA-N 1 1 299.370 3.055 20 10 CGCDMO C[N@@H+](Cc1ccc2c(c1)COC2)Cc1ccccc1O ZINC000768873552 627505182 /nfs/dbraw/zinc/50/51/82/627505182.db2.gz PXIPNAHLGMDUTM-UHFFFAOYSA-N 1 1 269.344 3.054 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H]1C(C)(C)C ZINC000769315878 627539936 /nfs/dbraw/zinc/53/99/36/627539936.db2.gz XAJFEHWFIZTIBL-HNNXBMFYSA-N 1 1 263.381 3.411 20 10 CGCDMO CCCO[C@@H]1CCC[N@@H+](Cc2c(O)cccc2OC)CC1 ZINC000769383648 627547154 /nfs/dbraw/zinc/54/71/54/627547154.db2.gz FWVFQOOHJHSMAN-CQSZACIVSA-N 1 1 293.407 3.182 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC2(CCCC2)C1 ZINC000769395300 627548295 /nfs/dbraw/zinc/54/82/95/627548295.db2.gz PRSZPGZWBVDWTO-UHFFFAOYSA-N 1 1 261.365 3.167 20 10 CGCDMO CCC1(CC)CC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000769400013 627548504 /nfs/dbraw/zinc/54/85/04/627548504.db2.gz ZTODSUPFYBAJEF-UHFFFAOYSA-N 1 1 263.381 3.413 20 10 CGCDMO C[C@@H]1SCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000769446243 627552806 /nfs/dbraw/zinc/55/28/06/627552806.db2.gz LAZWJSBXBOLHCV-RYUDHWBXSA-N 1 1 282.428 3.218 20 10 CGCDMO CO[C@H](C)C[N@@H+](Cc1ccc(N(C)C)c(F)c1)C(C)C ZINC000769476163 627558645 /nfs/dbraw/zinc/55/86/45/627558645.db2.gz WUPSVPRYEVJLEI-CYBMUJFWSA-N 1 1 282.403 3.137 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC[C@](C)(CC)C2)c(O)c1 ZINC000769519723 627562334 /nfs/dbraw/zinc/56/23/34/627562334.db2.gz ZZBDTYQGJQTPAP-INIZCTEOSA-N 1 1 263.381 3.413 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCS[C@H](C(C)C)C2)c(O)c1 ZINC000769548011 627564337 /nfs/dbraw/zinc/56/43/37/627564337.db2.gz GBKMMWMABCQGNK-INIZCTEOSA-N 1 1 295.448 3.364 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000770284219 627611607 /nfs/dbraw/zinc/61/16/07/627611607.db2.gz OBUTUVNUSPHCJL-NEPJUHHUSA-N 1 1 250.361 3.122 20 10 CGCDMO C[N@@H+](Cc1cccc(O)c1)Cc1cc(Cl)ccc1O ZINC000771934717 627746491 /nfs/dbraw/zinc/74/64/91/627746491.db2.gz CSSTZAGQNBSOCH-UHFFFAOYSA-N 1 1 277.751 3.383 20 10 CGCDMO Cc1cnc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)s1 ZINC000772175125 627771412 /nfs/dbraw/zinc/77/14/12/627771412.db2.gz OETLFRDTAOIFGU-UHFFFAOYSA-N 1 1 275.421 3.150 20 10 CGCDMO Cc1cnc(C[N@H+](C)Cc2ccc(N(C)C)cc2)s1 ZINC000772175125 627771413 /nfs/dbraw/zinc/77/14/13/627771413.db2.gz OETLFRDTAOIFGU-UHFFFAOYSA-N 1 1 275.421 3.150 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)CCOC(C)(C)C)cc1 ZINC000773766327 627914067 /nfs/dbraw/zinc/91/40/67/627914067.db2.gz SAQKAPJFBKOJEA-UHFFFAOYSA-N 1 1 278.440 3.390 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)CCc2nccs2)cc1 ZINC000773801100 627916797 /nfs/dbraw/zinc/91/67/97/627916797.db2.gz VBZONSNSIKJLDZ-UHFFFAOYSA-N 1 1 289.448 3.274 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](OC)CC2)cc1 ZINC000773835445 627918921 /nfs/dbraw/zinc/91/89/21/627918921.db2.gz FGXUYXASCTVOPY-QGZVFWFLSA-N 1 1 276.424 3.144 20 10 CGCDMO COC[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774095106 627944240 /nfs/dbraw/zinc/94/42/40/627944240.db2.gz BRRHPJPYLLNTLD-SFYZADRCSA-N 1 1 278.179 3.385 20 10 CGCDMO C[C@@H]([NH2+]CCN1CCC1)c1cc(Cl)c(Cl)cc1O ZINC000774269975 627970786 /nfs/dbraw/zinc/97/07/86/627970786.db2.gz MIIBUDAEYPTRIO-SECBINFHSA-N 1 1 289.206 3.055 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccccn2)c1O ZINC000775650422 628119801 /nfs/dbraw/zinc/11/98/01/628119801.db2.gz CGJLDURNMWPZDP-MRXNPFEDSA-N 1 1 268.360 3.433 20 10 CGCDMO Cc1cccc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c1O ZINC000775665165 628122216 /nfs/dbraw/zinc/12/22/16/628122216.db2.gz ZNKBTTCCBSBVNK-TXEJJXNPSA-N 1 1 251.395 3.026 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000778984614 628380874 /nfs/dbraw/zinc/38/08/74/628380874.db2.gz HFSYEKYFVNHEAG-OAHLLOKOSA-N 1 1 257.308 3.478 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC[C@@H]1O ZINC000779199142 628393976 /nfs/dbraw/zinc/39/39/76/628393976.db2.gz UWQDSZXCFDFVDE-KSSFIOAISA-N 1 1 297.398 3.262 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@@H](C)C3(CCC3)C2)c1O ZINC000779604139 628417709 /nfs/dbraw/zinc/41/77/09/628417709.db2.gz HZKMWGHCKBCLBJ-CYBMUJFWSA-N 1 1 275.392 3.413 20 10 CGCDMO CO[C@@H](C)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000782476219 628649270 /nfs/dbraw/zinc/64/92/70/628649270.db2.gz SRUIFCJWTBJVGA-ZDUSSCGKSA-N 1 1 263.381 3.172 20 10 CGCDMO CC(C)[N@@H+](CC[C@H]1CCOC1)Cc1ccc(N(C)C)cc1 ZINC000783525014 628721934 /nfs/dbraw/zinc/72/19/34/628721934.db2.gz ZAKUFOXPDLEOSM-KRWDZBQOSA-N 1 1 290.451 3.390 20 10 CGCDMO C[C@H]1COc2ccccc2C[N@H+]1Cc1cc(F)ccc1O ZINC000783597164 628730636 /nfs/dbraw/zinc/73/06/36/628730636.db2.gz KAYMWJNAYBYBOD-LBPRGKRZSA-N 1 1 287.334 3.314 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)c1O ZINC000783737020 628744018 /nfs/dbraw/zinc/74/40/18/628744018.db2.gz IDYZGGMERJROPX-HBNTYKKESA-N 1 1 299.798 3.052 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)c1O ZINC000783737020 628744022 /nfs/dbraw/zinc/74/40/22/628744022.db2.gz IDYZGGMERJROPX-HBNTYKKESA-N 1 1 299.798 3.052 20 10 CGCDMO CO[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)CC[C@@H]1C ZINC000783969071 628760794 /nfs/dbraw/zinc/76/07/94/628760794.db2.gz RVHUGVLIFCMBBJ-UGSOOPFHSA-N 1 1 289.419 3.128 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)C[C@@H]2CC=CCC2)cc1OC ZINC000784011586 628765673 /nfs/dbraw/zinc/76/56/73/628765673.db2.gz BPJQKDQPMOVUHT-CYBMUJFWSA-N 1 1 291.391 3.198 20 10 CGCDMO CC[C@@]1(C)C[N@@H+](Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000785511908 628868681 /nfs/dbraw/zinc/86/86/81/628868681.db2.gz MPBQVTRIPZECSD-SFHVURJKSA-N 1 1 289.419 3.272 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@]2(CO)CC(C)C)cc1C ZINC000789594196 629149159 /nfs/dbraw/zinc/14/91/59/629149159.db2.gz YYRIKQVUHKHMMU-GOSISDBHSA-N 1 1 291.435 3.382 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCSC1)c1cc(F)cc(F)c1O ZINC000790494420 629213666 /nfs/dbraw/zinc/21/36/66/629213666.db2.gz DMSHNBKFJLNPJR-RKDXNWHRSA-N 1 1 273.348 3.074 20 10 CGCDMO Cc1occc1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790954047 629242904 /nfs/dbraw/zinc/24/29/04/629242904.db2.gz JMNKPIRVKCUODD-UHFFFAOYSA-N 1 1 269.703 3.376 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CC1CCSCC1 ZINC000790961624 629243778 /nfs/dbraw/zinc/24/37/78/629243778.db2.gz JLYFNDBHIZKZJC-UHFFFAOYSA-N 1 1 289.803 3.418 20 10 CGCDMO COc1cccc(C[N@H+]2CCc3cc(C)ccc3C2)c1O ZINC000792181934 629345794 /nfs/dbraw/zinc/34/57/94/629345794.db2.gz WJZIQMFPIQATIF-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO CC(C)[N@@H+](Cc1cc(F)c(N(C)C)cc1F)[C@@H]1CCOC1 ZINC000862372728 629355911 /nfs/dbraw/zinc/35/59/11/629355911.db2.gz RPHSWZOEUHDIOV-CYBMUJFWSA-N 1 1 298.377 3.030 20 10 CGCDMO COc1cc(Cl)cc(Cn2c[nH+]c3c2CCCC3)c1O ZINC000862430704 629370717 /nfs/dbraw/zinc/37/07/17/629370717.db2.gz CPXHHQZMKBTKHR-UHFFFAOYSA-N 1 1 292.766 3.178 20 10 CGCDMO Cc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1O ZINC000793230597 629433314 /nfs/dbraw/zinc/43/33/14/629433314.db2.gz GWKOFLHYQZRHTI-JQWIXIFHSA-N 1 1 273.298 3.473 20 10 CGCDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccccc1O ZINC000793232609 629433524 /nfs/dbraw/zinc/43/35/24/629433524.db2.gz ZKWOMNIINIZXDQ-ONGXEEELSA-N 1 1 259.271 3.165 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H](CSC)C2)c1O ZINC000793796413 629501942 /nfs/dbraw/zinc/50/19/42/629501942.db2.gz LFNPNEIOSLTKHL-ZDUSSCGKSA-N 1 1 295.448 3.284 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[C@H](C)NC2)c1O ZINC000863548289 629603471 /nfs/dbraw/zinc/60/34/71/629603471.db2.gz WVSWOXVSZOIVBK-GMXVVIOVSA-N 1 1 282.815 3.145 20 10 CGCDMO CC[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc(F)cc1O ZINC000796838792 629845260 /nfs/dbraw/zinc/84/52/60/629845260.db2.gz ZOKDCEIQOQRXKY-GXTWGEPZSA-N 1 1 283.387 3.369 20 10 CGCDMO CC[C@@H]([NH2+]CC1(COC)CCC1)c1ccc(F)cc1O ZINC000796987976 629869297 /nfs/dbraw/zinc/86/92/97/629869297.db2.gz FFZFPXMTRKJZDA-CQSZACIVSA-N 1 1 281.371 3.389 20 10 CGCDMO CCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000797112294 629889972 /nfs/dbraw/zinc/88/99/72/629889972.db2.gz HHSNMGSGKGOKEF-JSGCOSHPSA-N 1 1 280.387 3.056 20 10 CGCDMO CCOc1ccc(C[N@@H+]2CC(C)=C[C@H](C)C2)c(O)c1 ZINC000797604696 629970404 /nfs/dbraw/zinc/97/04/04/629970404.db2.gz HSJMITFDRRFDEC-LBPRGKRZSA-N 1 1 261.365 3.189 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCCO1)c1cccc(C(F)(F)F)c1O ZINC000798179638 630030956 /nfs/dbraw/zinc/03/09/56/630030956.db2.gz IJTNSHFGUTXJHY-UWVGGRQHSA-N 1 1 289.297 3.241 20 10 CGCDMO CSCCC[N@@H+](C)Cc1cc(C)cc(C)c1O ZINC000799159161 630151090 /nfs/dbraw/zinc/15/10/90/630151090.db2.gz DKPGLHKFELAGGN-UHFFFAOYSA-N 1 1 253.411 3.194 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CC(C)(C)[C@H]2c2nccn2C)c1 ZINC000840109767 630597060 /nfs/dbraw/zinc/59/70/60/630597060.db2.gz VPRAKMZMKRVESG-MRXNPFEDSA-N 1 1 299.418 3.326 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC(C)(C)[C@H]2c2nccn2C)c1 ZINC000840109767 630597062 /nfs/dbraw/zinc/59/70/62/630597062.db2.gz VPRAKMZMKRVESG-MRXNPFEDSA-N 1 1 299.418 3.326 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)CCN(C)C)c1O ZINC000808686385 630664424 /nfs/dbraw/zinc/66/44/24/630664424.db2.gz XTOQSSIIIMGWMD-RYUDHWBXSA-N 1 1 284.831 3.345 20 10 CGCDMO CCC[N@@H+](Cc1oc(C)nc1C)Cc1ccccc1O ZINC000809950739 630819652 /nfs/dbraw/zinc/81/96/52/630819652.db2.gz NNMCILHYBNSYEF-UHFFFAOYSA-N 1 1 274.364 3.409 20 10 CGCDMO CCCC[N@H+](C)C[C@@H](C)NCc1ccc(OCC)cc1O ZINC000810163378 630848511 /nfs/dbraw/zinc/84/85/11/630848511.db2.gz RUKBRGRGHYIKJB-CQSZACIVSA-N 1 1 294.439 3.001 20 10 CGCDMO CCCC[N@@H+](C)C[C@@H](C)NCc1ccc(OCC)cc1O ZINC000810163378 630848514 /nfs/dbraw/zinc/84/85/14/630848514.db2.gz RUKBRGRGHYIKJB-CQSZACIVSA-N 1 1 294.439 3.001 20 10 CGCDMO CCC[N@@H+](CC)C[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000810180649 630851080 /nfs/dbraw/zinc/85/10/80/630851080.db2.gz FOXYFMLHVQVGKA-AWEZNQCLSA-N 1 1 295.446 3.102 20 10 CGCDMO CCCN(CC)C[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000810180649 630851083 /nfs/dbraw/zinc/85/10/83/630851083.db2.gz FOXYFMLHVQVGKA-AWEZNQCLSA-N 1 1 295.446 3.102 20 10 CGCDMO CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000810253684 630860453 /nfs/dbraw/zinc/86/04/53/630860453.db2.gz AFQIQOPFFVJMHE-BZPMIXESSA-N 1 1 294.414 3.398 20 10 CGCDMO CC(C)[N@H+](C)C[C@@H](C)N[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000810253684 630860455 /nfs/dbraw/zinc/86/04/55/630860455.db2.gz AFQIQOPFFVJMHE-BZPMIXESSA-N 1 1 294.414 3.398 20 10 CGCDMO Cc1ccc(C[N@H+]2CCn3cccc3[C@@H]2C)c(O)c1 ZINC000876531519 634852261 /nfs/dbraw/zinc/85/22/61/634852261.db2.gz IIUYWGQQDZLNSI-ZDUSSCGKSA-N 1 1 256.349 3.079 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)C[C@H](C)O1 ZINC000815046790 631706182 /nfs/dbraw/zinc/70/61/82/631706182.db2.gz FXOKVVYMPJDCHT-GOEBONIOSA-N 1 1 276.424 3.060 20 10 CGCDMO CCCC[N@@H+](CCOC)Cc1ccc(N(C)C)c(C)c1 ZINC000815046037 631706269 /nfs/dbraw/zinc/70/62/69/631706269.db2.gz GQVHOVYXVGLSSD-UHFFFAOYSA-N 1 1 278.440 3.310 20 10 CGCDMO Cc1cc(C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)ccc1N(C)C ZINC000815103412 631718262 /nfs/dbraw/zinc/71/82/62/631718262.db2.gz PXGONUWHFJPSFV-WBVHZDCISA-N 1 1 290.451 3.186 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCCCC[C@H]2CCO)cc1 ZINC000815113507 631720319 /nfs/dbraw/zinc/72/03/19/631720319.db2.gz DFQVLULNDXERDL-SFHVURJKSA-N 1 1 290.451 3.270 20 10 CGCDMO CN(C)c1ccc(C[NH2+]Cc2c(F)cc(F)cc2F)cc1 ZINC000815151941 631732023 /nfs/dbraw/zinc/73/20/23/631732023.db2.gz LPWCGTVKLSOPRT-UHFFFAOYSA-N 1 1 294.320 3.460 20 10 CGCDMO C[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])C[NH+]1CCCC1 ZINC000816535931 632005205 /nfs/dbraw/zinc/00/52/05/632005205.db2.gz GKOAQRXBIXTUQQ-OAHLLOKOSA-N 1 1 298.430 3.367 20 10 CGCDMO [O-]c1c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc2ccccc21 ZINC000816536337 632006088 /nfs/dbraw/zinc/00/60/88/632006088.db2.gz SJUWZUBIGZVWNV-IAGOWNOFSA-N 1 1 296.414 3.262 20 10 CGCDMO [O-]c1c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc2ccccc21 ZINC000816536337 632006091 /nfs/dbraw/zinc/00/60/91/632006091.db2.gz SJUWZUBIGZVWNV-IAGOWNOFSA-N 1 1 296.414 3.262 20 10 CGCDMO CC[C@@H](CSC)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816560758 632013255 /nfs/dbraw/zinc/01/32/55/632013255.db2.gz ZQGPDGSQCHIVBH-VIFPVBQESA-N 1 1 277.792 3.416 20 10 CGCDMO CO[C@@]1(C)CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816595065 632018934 /nfs/dbraw/zinc/01/89/34/632018934.db2.gz YDOPYARTXHNSTL-AWEZNQCLSA-N 1 1 287.762 3.186 20 10 CGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816595065 632018939 /nfs/dbraw/zinc/01/89/39/632018939.db2.gz YDOPYARTXHNSTL-AWEZNQCLSA-N 1 1 287.762 3.186 20 10 CGCDMO COCC1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCC1 ZINC000816599452 632020635 /nfs/dbraw/zinc/02/06/35/632020635.db2.gz NNJDOWSFJFMLTJ-UHFFFAOYSA-N 1 1 287.762 3.091 20 10 CGCDMO CCc1noc(C)c1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816638105 632029154 /nfs/dbraw/zinc/02/91/54/632029154.db2.gz ABRMSGJVAUUONP-UHFFFAOYSA-N 1 1 298.745 3.333 20 10 CGCDMO CN(C)c1ccc([C@@H](N)C[NH2+][C@H]2CCCc3occc32)cc1 ZINC000817942240 632241117 /nfs/dbraw/zinc/24/11/17/632241117.db2.gz NEFMXYLMCZIPLU-IRXDYDNUSA-N 1 1 299.418 3.013 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1cccc(Cl)c1[O-] ZINC000817959142 632254686 /nfs/dbraw/zinc/25/46/86/632254686.db2.gz PTGIKGJOUMINGN-RISCZKNCSA-N 1 1 284.831 3.460 20 10 CGCDMO CC[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(Cl)ccc1[O-] ZINC000817976951 632269154 /nfs/dbraw/zinc/26/91/54/632269154.db2.gz XMEOSMHHRLGRDM-UKRRQHHQSA-N 1 1 294.826 3.228 20 10 CGCDMO C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000817985232 632274800 /nfs/dbraw/zinc/27/48/00/632274800.db2.gz HVLCTBFKAVNPOP-NSHDSACASA-N 1 1 280.799 3.006 20 10 CGCDMO C[C@H]1CC2(C[N@@H+]1Cc1c([O-])cccc1Cl)CC[NH2+]CC2 ZINC000818431749 632318238 /nfs/dbraw/zinc/31/82/38/632318238.db2.gz SMMULGKWESLUQA-LBPRGKRZSA-N 1 1 294.826 3.010 20 10 CGCDMO C[C@H]1CC2(C[N@H+]1Cc1c([O-])cccc1Cl)CC[NH2+]CC2 ZINC000818431749 632318241 /nfs/dbraw/zinc/31/82/41/632318241.db2.gz SMMULGKWESLUQA-LBPRGKRZSA-N 1 1 294.826 3.010 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@](C)(OC)C1CC1 ZINC000820851846 632687969 /nfs/dbraw/zinc/68/79/69/632687969.db2.gz TVIHLQGEHSWVFL-SFHVURJKSA-N 1 1 290.451 3.390 20 10 CGCDMO C[N@@H+](CCC(C)(C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000120857788 632974973 /nfs/dbraw/zinc/97/49/73/632974973.db2.gz CYSWVRDPKKEAGD-UHFFFAOYSA-N 1 1 290.451 3.391 20 10 CGCDMO C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cc(Cl)c(Cl)cc1O ZINC000866416228 633127946 /nfs/dbraw/zinc/12/79/46/633127946.db2.gz PSHBKZLOWFKBAS-XHNCKOQMSA-N 1 1 290.190 3.121 20 10 CGCDMO C[C@]1(F)CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000824472840 633248781 /nfs/dbraw/zinc/24/87/81/633248781.db2.gz ZOVSORSOZGCLNQ-ZDUSSCGKSA-N 1 1 257.736 3.370 20 10 CGCDMO C[C@]1(F)CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000824472840 633248782 /nfs/dbraw/zinc/24/87/82/633248782.db2.gz ZOVSORSOZGCLNQ-ZDUSSCGKSA-N 1 1 257.736 3.370 20 10 CGCDMO C[C@@H](C1CC1)[N@@H+](C)Cc1ccc(Br)cc1O ZINC000824567712 633259644 /nfs/dbraw/zinc/25/96/44/633259644.db2.gz UQZOWZJIFOFCDX-VIFPVBQESA-N 1 1 284.197 3.385 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)[C@@H]2CCSC2)cc1Cl ZINC000824556398 633259744 /nfs/dbraw/zinc/25/97/44/633259744.db2.gz RGVKLLQIAIBVBU-LLVKDONJSA-N 1 1 271.813 3.291 20 10 CGCDMO COCc1csc(C[N@@H+](C)Cc2ccccc2O)c1 ZINC000824593628 633261647 /nfs/dbraw/zinc/26/16/47/633261647.db2.gz RHMALGNPRVSELZ-UHFFFAOYSA-N 1 1 277.389 3.232 20 10 CGCDMO Cc1cccnc1CC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000824795088 633290753 /nfs/dbraw/zinc/29/07/53/633290753.db2.gz PMOSAKDDILZZRK-UHFFFAOYSA-N 1 1 294.757 3.220 20 10 CGCDMO CC1=CC[N@@H+](Cc2ccc(Br)cc2O)CC1 ZINC000824829665 633296224 /nfs/dbraw/zinc/29/62/24/633296224.db2.gz KAVHRABZXCDJQX-UHFFFAOYSA-N 1 1 282.181 3.307 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCSC[C@H]2C2CC2)c1O ZINC000824914363 633305171 /nfs/dbraw/zinc/30/51/71/633305171.db2.gz QWHSGEWTQJHDHW-AWEZNQCLSA-N 1 1 293.432 3.118 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCOCC23CCCCC3)c1 ZINC000825098823 633328436 /nfs/dbraw/zinc/32/84/36/633328436.db2.gz OSWUAQHEXOFCSF-UHFFFAOYSA-N 1 1 275.392 3.236 20 10 CGCDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2cc(C)ccc2O)C12CCC2 ZINC000825104324 633328854 /nfs/dbraw/zinc/32/88/54/633328854.db2.gz UFEKXRXPXBIUDG-HOTGVXAUSA-N 1 1 275.392 3.090 20 10 CGCDMO Cc1cc(C)c(C[NH2+]Cc2cc(Cl)c(F)cc2O)cn1 ZINC000825221649 633336921 /nfs/dbraw/zinc/33/69/21/633336921.db2.gz VJOWODLZTNBQPY-UHFFFAOYSA-N 1 1 294.757 3.486 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](CCCO)C2)cc1 ZINC000825338857 633346878 /nfs/dbraw/zinc/34/68/78/633346878.db2.gz VWYKAUBBVYDHOC-INIZCTEOSA-N 1 1 290.451 3.127 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)cc1Cl ZINC000827017806 633448918 /nfs/dbraw/zinc/44/89/18/633448918.db2.gz LPBUKIWAYTYBMH-IYBDPMFKSA-N 1 1 295.810 3.212 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)CC2=CCCOC2)cc1 ZINC000827190149 633469449 /nfs/dbraw/zinc/46/94/49/633469449.db2.gz REXOFEHNHFHGJU-GQCTYLIASA-N 1 1 286.419 3.044 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H]3COC[C@]3(C)C2)cc1 ZINC000827281023 633478241 /nfs/dbraw/zinc/47/82/41/633478241.db2.gz HVOOUMKCEGOQKM-WMZOPIPTSA-N 1 1 288.435 3.001 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1O ZINC000827376884 633486737 /nfs/dbraw/zinc/48/67/37/633486737.db2.gz KIWCTNVVTPXPID-WBVHZDCISA-N 1 1 289.419 3.482 20 10 CGCDMO COc1ccc(O)c(C[NH2+]CC(F)(F)C(C)(C)C)c1 ZINC000827722621 633512404 /nfs/dbraw/zinc/51/24/04/633512404.db2.gz OZLUWQYGQIQYFE-UHFFFAOYSA-N 1 1 273.323 3.172 20 10 CGCDMO C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C1(CO)CC1 ZINC000827903637 633531892 /nfs/dbraw/zinc/53/18/92/633531892.db2.gz MNHGQQCKTQPPPQ-UHFFFAOYSA-N 1 1 283.371 3.016 20 10 CGCDMO CCC[N@@H+](CCC[C@@H]1CCOC1)Cc1ccccc1O ZINC000827959252 633540799 /nfs/dbraw/zinc/54/07/99/633540799.db2.gz OWMZMQCNCSOMOJ-OAHLLOKOSA-N 1 1 277.408 3.421 20 10 CGCDMO CCN(C)c1ccc(Cn2c[nH+]c3c2CCCC3)cc1 ZINC000830445000 633863139 /nfs/dbraw/zinc/86/31/39/633863139.db2.gz DYNYHXQRFMHVGS-UHFFFAOYSA-N 1 1 269.392 3.266 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](F)C2)c(Cl)c1 ZINC000846119488 636147492 /nfs/dbraw/zinc/14/74/92/636147492.db2.gz FQGJCMDWVVGSPF-SNVBAGLBSA-N 1 1 257.736 3.288 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](F)C2)c(Cl)c1 ZINC000846119488 636147495 /nfs/dbraw/zinc/14/74/95/636147495.db2.gz FQGJCMDWVVGSPF-SNVBAGLBSA-N 1 1 257.736 3.288 20 10 CGCDMO Cc1nonc1C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000872138055 634061102 /nfs/dbraw/zinc/06/11/02/634061102.db2.gz YYSCXCMBIQNPPP-SNVBAGLBSA-N 1 1 283.331 3.088 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CCC[C@H]1OC)c1ccc(F)cc1O ZINC000834886142 634267469 /nfs/dbraw/zinc/26/74/69/634267469.db2.gz IVOJCSBVDPEMKT-GZBFAFLISA-N 1 1 267.344 3.140 20 10 CGCDMO CCc1nc(C[NH2+][C@@H](C)c2cc(C)ccc2O)co1 ZINC000834899105 634275245 /nfs/dbraw/zinc/27/52/45/634275245.db2.gz OSZDQYPDXPVIIR-NSHDSACASA-N 1 1 260.337 3.102 20 10 CGCDMO C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc(F)cc(F)c1[O-] ZINC000834907723 634283165 /nfs/dbraw/zinc/28/31/65/634283165.db2.gz AUHAFHXCIASSKS-NSHDSACASA-N 1 1 298.377 3.195 20 10 CGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)c1[O-] ZINC000873270392 634313332 /nfs/dbraw/zinc/31/33/32/634313332.db2.gz RXFHIAWOZOIQHI-VXGBXAGGSA-N 1 1 296.842 3.393 20 10 CGCDMO CC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CCC1 ZINC000876755999 634893017 /nfs/dbraw/zinc/89/30/17/634893017.db2.gz OTRIKVQWDOCJOS-UHFFFAOYSA-N 1 1 288.435 3.022 20 10 CGCDMO Cc1ccc(C[N@H+](C)C[C@@H](C)c2nccs2)c(O)c1 ZINC000877315870 635024890 /nfs/dbraw/zinc/02/48/90/635024890.db2.gz FDGKNZFJUJLEDE-GFCCVEGCSA-N 1 1 276.405 3.393 20 10 CGCDMO Cc1ccc(C[N@H+]2CCOCC3(CCCC3)C2)c(O)c1 ZINC000877419747 635038456 /nfs/dbraw/zinc/03/84/56/635038456.db2.gz HDXUTWUUTPHNLC-UHFFFAOYSA-N 1 1 275.392 3.093 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2ccc(C)cc2O)nc1 ZINC000877468790 635048540 /nfs/dbraw/zinc/04/85/40/635048540.db2.gz MZCPQRMONAUFIM-UHFFFAOYSA-N 1 1 256.349 3.036 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)c1ccn(C)n1)c1ccc(F)cc1O ZINC000840816667 635057584 /nfs/dbraw/zinc/05/75/84/635057584.db2.gz XHPHARVPFZFABH-GWCFXTLKSA-N 1 1 277.343 3.067 20 10 CGCDMO CC[N@@H+](Cc1ccncc1)Cc1ccc(C)cc1O ZINC000877524178 635071551 /nfs/dbraw/zinc/07/15/51/635071551.db2.gz SHWSDPDBYFZAFO-UHFFFAOYSA-N 1 1 256.349 3.118 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)c(O)c1 ZINC000877536422 635077470 /nfs/dbraw/zinc/07/74/70/635077470.db2.gz PILSILNZGOPYKI-UHFFFAOYSA-N 1 1 297.354 3.074 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000840911962 635080935 /nfs/dbraw/zinc/08/09/35/635080935.db2.gz WGDOGPGAEXCRCM-QGZVFWFLSA-N 1 1 276.424 3.062 20 10 CGCDMO COC[C@H]1CCC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840918006 635082462 /nfs/dbraw/zinc/08/24/62/635082462.db2.gz NQMYXTGXRQWKQW-LBPRGKRZSA-N 1 1 283.799 3.212 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+](C(C)C)[C@@H]1CCOC1 ZINC000840948772 635091248 /nfs/dbraw/zinc/09/12/48/635091248.db2.gz XMPRUMOUUIUQOR-QGZVFWFLSA-N 1 1 276.424 3.060 20 10 CGCDMO COc1cccnc1C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840952430 635092222 /nfs/dbraw/zinc/09/22/22/635092222.db2.gz ZVTJXNBJLRQELU-UHFFFAOYSA-N 1 1 292.766 3.047 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000877586241 635103059 /nfs/dbraw/zinc/10/30/59/635103059.db2.gz XIYHZDWCTGROND-FUHWJXTLSA-N 1 1 289.419 3.074 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2Cc3ccccc3NC(=O)[C@H]2C)c1 ZINC000877706011 635156897 /nfs/dbraw/zinc/15/68/97/635156897.db2.gz DHDLEDZOQMJZSX-CYBMUJFWSA-N 1 1 296.370 3.043 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2Cc3ccccc3NC(=O)[C@H]2C)c1 ZINC000877706011 635156903 /nfs/dbraw/zinc/15/69/03/635156903.db2.gz DHDLEDZOQMJZSX-CYBMUJFWSA-N 1 1 296.370 3.043 20 10 CGCDMO Cc1csc([C@H]2CC[N@@H+](Cc3cc(F)ccc3O)C2)n1 ZINC000877814136 635221014 /nfs/dbraw/zinc/22/10/14/635221014.db2.gz UEZKPVCYOOCRET-NSHDSACASA-N 1 1 292.379 3.286 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccc(Cl)cc1O ZINC000841751210 635226011 /nfs/dbraw/zinc/22/60/11/635226011.db2.gz FXPNHQJVHSGTEY-KWBADKCTSA-N 1 1 269.772 3.121 20 10 CGCDMO C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841757691 635231685 /nfs/dbraw/zinc/23/16/85/635231685.db2.gz PFJRBQNMMFANCW-UWVGGRQHSA-N 1 1 271.788 3.246 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](c3cccnc3)C2)cc1C ZINC000842622613 635420174 /nfs/dbraw/zinc/42/01/74/635420174.db2.gz RBJMEGJNUFNKTM-INIZCTEOSA-N 1 1 282.387 3.394 20 10 CGCDMO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000842755613 635461704 /nfs/dbraw/zinc/46/17/04/635461704.db2.gz HNFOKYHBSKPTHS-NXEZZACHSA-N 1 1 289.778 3.071 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000843416968 635663543 /nfs/dbraw/zinc/66/35/43/635663543.db2.gz NBCGWCZJCVLGHF-DOMZBBRYSA-N 1 1 295.810 3.437 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000843419741 635664873 /nfs/dbraw/zinc/66/48/73/635664873.db2.gz RUVPWYSAUREUHM-ZDUSSCGKSA-N 1 1 288.778 3.430 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCOC[C@@H]2C2CCC2)cc1C ZINC000843429272 635673502 /nfs/dbraw/zinc/67/35/02/635673502.db2.gz UOJOFIWHRWLCNT-MRXNPFEDSA-N 1 1 275.392 3.010 20 10 CGCDMO CC[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000844926948 635986812 /nfs/dbraw/zinc/98/68/12/635986812.db2.gz XAQLASIASQHARD-OAHLLOKOSA-N 1 1 296.842 3.476 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000846107531 636144804 /nfs/dbraw/zinc/14/48/04/636144804.db2.gz IYLVDOUFFXLUBP-ZDUSSCGKSA-N 1 1 253.292 3.013 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)cc1 ZINC000846907446 636279083 /nfs/dbraw/zinc/27/90/83/636279083.db2.gz GWOMWDKHDDONOL-QGZVFWFLSA-N 1 1 281.403 3.137 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000883112340 636543597 /nfs/dbraw/zinc/54/35/97/636543597.db2.gz JJXIWVJCMURASS-CQSZACIVSA-N 1 1 297.345 3.109 20 10 CGCDMO CC(C)[C@H]1C[C@@H](C[NH2+]Cc2cc(F)cc(F)c2O)CCO1 ZINC000883134803 636552673 /nfs/dbraw/zinc/55/26/73/636552673.db2.gz JRERWDQHJLVYDZ-XHDPSFHLSA-N 1 1 299.361 3.211 20 10 CGCDMO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1c(O)cccc1Cl ZINC000131501114 636670658 /nfs/dbraw/zinc/67/06/58/636670658.db2.gz JNBRIRGVTBBWHP-GHMZBOCLSA-N 1 1 269.772 3.045 20 10 CGCDMO CCc1cccc(C[N@@H+](C)C2CCC(OC)CC2)c1O ZINC000848887316 636674803 /nfs/dbraw/zinc/67/48/03/636674803.db2.gz STLHXZWHFNDFPV-UHFFFAOYSA-N 1 1 277.408 3.344 20 10 CGCDMO C[N@H+](Cc1cc(Cl)ccc1O)C[C@H]1CCCCO1 ZINC000132596886 636822703 /nfs/dbraw/zinc/82/27/03/636822703.db2.gz IOBYCZKIJJHYPH-CYBMUJFWSA-N 1 1 269.772 3.047 20 10 CGCDMO CC1(C)CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000132766300 636837097 /nfs/dbraw/zinc/83/70/97/636837097.db2.gz YOODZYRIXWSGBP-UHFFFAOYSA-N 1 1 284.197 3.387 20 10 CGCDMO CC[C@@H]([NH2+]CCC1CC(OC)C1)c1ccc(F)cc1O ZINC000850480995 637084286 /nfs/dbraw/zinc/08/42/86/637084286.db2.gz DGEBHJBBPUEKJH-ABIUDSBCSA-N 1 1 281.371 3.387 20 10 CGCDMO C[C@@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000850495012 637090668 /nfs/dbraw/zinc/09/06/68/637090668.db2.gz VALDHGKPRBSXFV-GDBMZVCRSA-N 1 1 289.467 3.276 20 10 CGCDMO C[C@@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000850495012 637090672 /nfs/dbraw/zinc/09/06/72/637090672.db2.gz VALDHGKPRBSXFV-GDBMZVCRSA-N 1 1 289.467 3.276 20 10 CGCDMO CCO[C@H]1C[C@H]([NH2+][C@H](CC)c2ccc(F)cc2O)C1 ZINC000850515365 637098955 /nfs/dbraw/zinc/09/89/55/637098955.db2.gz XAVIGRKOHYSTKY-YRGRVCCFSA-N 1 1 267.344 3.140 20 10 CGCDMO C[C@@H](N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1O ZINC000850538747 637114120 /nfs/dbraw/zinc/11/41/20/637114120.db2.gz LAESSEOKSYZCDW-CABCVRRESA-N 1 1 288.435 3.450 20 10 CGCDMO C[C@@H](N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1O ZINC000850538747 637114121 /nfs/dbraw/zinc/11/41/21/637114121.db2.gz LAESSEOKSYZCDW-CABCVRRESA-N 1 1 288.435 3.450 20 10 CGCDMO CCC[N@@H+](Cc1cc(OC)ns1)Cc1ccccc1O ZINC000851791687 637503256 /nfs/dbraw/zinc/50/32/56/637503256.db2.gz FHTWDUKWTPGPOS-UHFFFAOYSA-N 1 1 292.404 3.270 20 10 CGCDMO C[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1c(O)cccc1F ZINC000886493395 637541440 /nfs/dbraw/zinc/54/14/40/637541440.db2.gz JIEXEHKKUUCULM-GFCCVEGCSA-N 1 1 280.387 3.056 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)c1c(O)cccc1F)C1CCOCC1 ZINC000886535247 637560771 /nfs/dbraw/zinc/56/07/71/637560771.db2.gz XBQKNKMAWSUTAY-RISCZKNCSA-N 1 1 281.371 3.387 20 10 CGCDMO CCc1cnc(CC[NH2+][C@@H](C)c2c(O)cccc2F)s1 ZINC000886534726 637560788 /nfs/dbraw/zinc/56/07/88/637560788.db2.gz NJVXYJBXNYDWDM-JTQLQIEISA-N 1 1 294.395 3.444 20 10 CGCDMO C[C@H]([NH2+]C[C@]1(C)CCCS1)c1c(O)cccc1F ZINC000886538504 637563243 /nfs/dbraw/zinc/56/32/43/637563243.db2.gz JFEHGOZDGFKVCD-HZMBPMFUSA-N 1 1 269.385 3.468 20 10 CGCDMO C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1c([O-])cccc1F ZINC000886623816 637614168 /nfs/dbraw/zinc/61/41/68/637614168.db2.gz OXYBWCJFINAYHG-GFCCVEGCSA-N 1 1 280.387 3.056 20 10 CGCDMO C[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1c(O)cccc1F ZINC000886631666 637619819 /nfs/dbraw/zinc/61/98/19/637619819.db2.gz SYYZLXRFJKWKMC-GTNSWQLSSA-N 1 1 293.382 3.387 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)c1c(O)cccc1F ZINC000886634902 637621795 /nfs/dbraw/zinc/62/17/95/637621795.db2.gz QAJPAAIWMNXXOC-CFVMTHIKSA-N 1 1 292.398 3.199 20 10 CGCDMO C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1c(O)cccc1F ZINC000886637636 637622807 /nfs/dbraw/zinc/62/28/07/637622807.db2.gz BCLDOFBRILSYJX-DRZCJDIDSA-N 1 1 287.334 3.360 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)c1c(O)cccc1F)[C@@H]1CCCOC1 ZINC000886651970 637631415 /nfs/dbraw/zinc/63/14/15/637631415.db2.gz WEVLTKGXRCZGHF-BZPMIXESSA-N 1 1 281.371 3.387 20 10 CGCDMO Cn1cc(C[N@@H+](Cc2ccccc2O)C2CCCC2)cn1 ZINC000111245071 637819778 /nfs/dbraw/zinc/81/97/78/637819778.db2.gz BDYULNNDEWWGLW-UHFFFAOYSA-N 1 1 285.391 3.071 20 10 CGCDMO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000853542368 637865483 /nfs/dbraw/zinc/86/54/83/637865483.db2.gz OZPBXYFVXYKCMI-CYBMUJFWSA-N 1 1 287.403 3.024 20 10 CGCDMO C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccns1 ZINC000858317128 638679307 /nfs/dbraw/zinc/67/93/07/638679307.db2.gz RETAUXHNBDIABB-ZETCQYMHSA-N 1 1 286.759 3.492 20 10 CGCDMO C[C@H]([NH2+]Cc1cccc2c1OCC2)c1ccc(F)cc1O ZINC000927091950 638840643 /nfs/dbraw/zinc/84/06/43/638840643.db2.gz ULGGFKROZMPFFP-NSHDSACASA-N 1 1 287.334 3.317 20 10 CGCDMO C[C@H](c1ccc(F)nc1)[N@@H+](C)Cc1ccccc1O ZINC000929970804 638965551 /nfs/dbraw/zinc/96/55/51/638965551.db2.gz LBSVHOLMRIEAME-LLVKDONJSA-N 1 1 260.312 3.119 20 10 CGCDMO COCCCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000117881472 639482185 /nfs/dbraw/zinc/48/21/85/639482185.db2.gz HRMXCBRLHZBTDT-UHFFFAOYSA-N 1 1 289.375 3.414 20 10 CGCDMO COc1cc(C[N@@H+](CC(C)C)C2CC2)c(O)cc1C ZINC000159745366 640067127 /nfs/dbraw/zinc/06/71/27/640067127.db2.gz KWGLPJALJZEPJJ-UHFFFAOYSA-N 1 1 263.381 3.330 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCSCC[C@@H]2C)c1 ZINC000189918711 640212236 /nfs/dbraw/zinc/21/22/36/640212236.db2.gz SMUFSVDUPSSAAN-ZDUSSCGKSA-N 1 1 265.422 3.336 20 10 CGCDMO CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCC=CO1 ZINC000191059469 640285998 /nfs/dbraw/zinc/28/59/98/640285998.db2.gz ARUOSSFDHNLXLR-QGZVFWFLSA-N 1 1 274.408 3.267 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000091772281 640721522 /nfs/dbraw/zinc/72/15/22/640721522.db2.gz ZVSZORYQNNEPSO-GOSISDBHSA-N 1 1 288.435 3.288 20 10 CGCDMO COc1ccccc1C[N@@H+](C)Cc1ccccc1O ZINC000091974576 640727347 /nfs/dbraw/zinc/72/73/47/640727347.db2.gz OPDGZWZZJIVOPV-UHFFFAOYSA-N 1 1 257.333 3.033 20 10 CGCDMO CS[C@H]1CCCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000092064231 640730925 /nfs/dbraw/zinc/73/09/25/640730925.db2.gz HDZNWXGLJAAAHQ-AWEZNQCLSA-N 1 1 265.422 3.418 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](CC)Cc2ccoc2)c1 ZINC000092935956 640751660 /nfs/dbraw/zinc/75/16/60/640751660.db2.gz DNUAGHJALKEFHU-UHFFFAOYSA-N 1 1 275.348 3.406 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)[C@@H]2CCCC[C@H]21 ZINC000248410051 640756282 /nfs/dbraw/zinc/75/62/82/640756282.db2.gz DAKBWXDPCQLIFZ-KWCYVHTRSA-N 1 1 289.375 3.131 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCSC1 ZINC001255292294 806597689 /nfs/dbraw/zinc/59/76/89/806597689.db2.gz GDUVGTWGJZGGEJ-HNNXBMFYSA-N 1 1 264.438 3.080 20 10 CGCDMO CC[NH+](CC)CCCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000037210938 798862584 /nfs/dbraw/zinc/86/25/84/798862584.db2.gz OCOVZDXEQHGPTR-HNNXBMFYSA-N 1 1 277.456 3.135 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](C)CC2(C)C)c1O ZINC000380367836 799362364 /nfs/dbraw/zinc/36/23/64/799362364.db2.gz NQMYELMWIARXFR-JTQLQIEISA-N 1 1 279.355 3.354 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@H]2C)c1O ZINC000380690378 799366328 /nfs/dbraw/zinc/36/63/28/799366328.db2.gz BREIUXNSBRKLSI-NXEZZACHSA-N 1 1 281.783 3.479 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cccc(C)c2O)[C@@H](CC)CO1 ZINC000403890106 799572289 /nfs/dbraw/zinc/57/22/89/799572289.db2.gz WMJCAHRGNIPWQP-GJZGRUSLSA-N 1 1 263.381 3.090 20 10 CGCDMO CCc1cccc(C[N@@H+](CCOC)CC(C)C)c1O ZINC000692084545 799791280 /nfs/dbraw/zinc/79/12/80/799791280.db2.gz FABZALAIXVVVGG-UHFFFAOYSA-N 1 1 265.397 3.059 20 10 CGCDMO CC(C)(C)[N@@H+]1CC[C@@H](NCc2c(O)cccc2Cl)C1 ZINC000693867895 799816054 /nfs/dbraw/zinc/81/60/54/799816054.db2.gz PQAVWJCTSRCLPD-LLVKDONJSA-N 1 1 282.815 3.008 20 10 CGCDMO CC(C)(C)[N@H+]1CC[C@@H](NCc2c(O)cccc2Cl)C1 ZINC000693867895 799816062 /nfs/dbraw/zinc/81/60/62/799816062.db2.gz PQAVWJCTSRCLPD-LLVKDONJSA-N 1 1 282.815 3.008 20 10 CGCDMO CCOc1cccc(C[NH2+][C@@H](C)c2cscn2)c1O ZINC000697855581 799850353 /nfs/dbraw/zinc/85/03/53/799850353.db2.gz XHSKPQWYYQUNRW-JTQLQIEISA-N 1 1 278.377 3.098 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CC12CCCC2 ZINC000708388685 799987052 /nfs/dbraw/zinc/98/70/52/799987052.db2.gz IBUAOULHMFCUBW-GFCCVEGCSA-N 1 1 253.292 3.093 20 10 CGCDMO C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cc(F)ccc1[O-] ZINC000715490038 800136375 /nfs/dbraw/zinc/13/63/75/800136375.db2.gz IEZVMEKANTVSPQ-XGNXJENSSA-N 1 1 280.387 3.055 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@H](C3CCC3)C2)cc1C ZINC000840175661 800497418 /nfs/dbraw/zinc/49/74/18/800497418.db2.gz LZFKSWPICWBPLZ-KRWDZBQOSA-N 1 1 275.392 3.010 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N)cc2)C[C@H](c2ccccc2)O1 ZINC001120370843 802742546 /nfs/dbraw/zinc/74/25/46/802742546.db2.gz HFCZNANCPHISME-RDTXWAMCSA-N 1 1 282.387 3.231 20 10 CGCDMO Cc1cccc(C[N@@H+](C)Cc2c(O)cccc2F)c1 ZINC001137831810 803777287 /nfs/dbraw/zinc/77/72/87/803777287.db2.gz ONVCVOXAOVEKSI-UHFFFAOYSA-N 1 1 259.324 3.472 20 10 CGCDMO Cc1cccc(C[N@H+](C)Cc2c(O)cccc2F)c1 ZINC001137831810 803777292 /nfs/dbraw/zinc/77/72/92/803777292.db2.gz ONVCVOXAOVEKSI-UHFFFAOYSA-N 1 1 259.324 3.472 20 10 CGCDMO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001138219763 803873956 /nfs/dbraw/zinc/87/39/56/803873956.db2.gz NCUDCGHIJOJTBD-CRAIPNDOSA-N 1 1 288.435 3.022 20 10 CGCDMO Cc1c(C[N@H+]2CC[C@]3(C2)CCCOC3)c2ccccc2n1C ZINC001138258361 803883676 /nfs/dbraw/zinc/88/36/76/803883676.db2.gz QYODMPOIWCIFAD-IBGZPJMESA-N 1 1 298.430 3.489 20 10 CGCDMO Cc1c(C[N@H+]2CCN(C)C(C)(C)C2)c2ccccc2n1C ZINC001138257916 803885106 /nfs/dbraw/zinc/88/51/06/803885106.db2.gz CSJOVXGJJUDNJZ-UHFFFAOYSA-N 1 1 285.435 3.013 20 10 CGCDMO Cc1c(CN2CC[N@H+](C)C(C)(C)C2)c2ccccc2n1C ZINC001138257916 803885114 /nfs/dbraw/zinc/88/51/14/803885114.db2.gz CSJOVXGJJUDNJZ-UHFFFAOYSA-N 1 1 285.435 3.013 20 10 CGCDMO Cc1c(CN2CC[N@@H+](C)C(C)(C)C2)c2ccccc2n1C ZINC001138257916 803885122 /nfs/dbraw/zinc/88/51/22/803885122.db2.gz CSJOVXGJJUDNJZ-UHFFFAOYSA-N 1 1 285.435 3.013 20 10 CGCDMO Oc1c(C[N@H+]2CCC3(CC3)C2)cc2c3c1CCCN3CCC2 ZINC001138338947 803899632 /nfs/dbraw/zinc/89/96/32/803899632.db2.gz XARNCRCTLCPRKZ-UHFFFAOYSA-N 1 1 298.430 3.077 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CC4CCC3CC4)ccc21 ZINC001138357027 803900346 /nfs/dbraw/zinc/90/03/46/803900346.db2.gz ZIVAKSZBROQMCV-UHFFFAOYSA-N 1 1 270.420 3.443 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@](C)(O)[C@@H](C)C2)ccc1N(C)C ZINC001139669887 804248750 /nfs/dbraw/zinc/24/87/50/804248750.db2.gz QYOHNTGFQFMEOE-YJBOKZPZSA-N 1 1 290.451 3.044 20 10 CGCDMO CCCC[C@H]1C[C@@H](NCc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC001246309380 804270764 /nfs/dbraw/zinc/27/07/64/804270764.db2.gz KJWYHQXHLUGYPV-IRXDYDNUSA-N 1 1 289.467 3.153 20 10 CGCDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C)ccc(C)c1O ZINC001140183819 804396993 /nfs/dbraw/zinc/39/69/93/804396993.db2.gz JFIRYXXVSKDIAO-YIONKMFJSA-N 1 1 275.392 3.151 20 10 CGCDMO CCC[N@H+](CCCN(C)C)Cc1c(C)ccc(C)c1O ZINC001140185397 804398208 /nfs/dbraw/zinc/39/82/08/804398208.db2.gz UPQJOYOKVCMQQF-UHFFFAOYSA-N 1 1 278.440 3.173 20 10 CGCDMO CCC[N@@H+](CCCN(C)C)Cc1c(C)ccc(C)c1O ZINC001140185397 804398215 /nfs/dbraw/zinc/39/82/15/804398215.db2.gz UPQJOYOKVCMQQF-UHFFFAOYSA-N 1 1 278.440 3.173 20 10 CGCDMO Cc1ccc(C)c(CN2CCC([N@H+](C)C3CC3)CC2)c1O ZINC001140184415 804399252 /nfs/dbraw/zinc/39/92/52/804399252.db2.gz SMKJTILBVBTZSU-UHFFFAOYSA-N 1 1 288.435 3.068 20 10 CGCDMO Cc1ccc(C)c(CN2CCC([N@@H+](C)C3CC3)CC2)c1O ZINC001140184415 804399259 /nfs/dbraw/zinc/39/92/59/804399259.db2.gz SMKJTILBVBTZSU-UHFFFAOYSA-N 1 1 288.435 3.068 20 10 CGCDMO CC[N@@H+](Cc1ccccn1)Cc1ccc(Cl)cc1O ZINC001140465944 804443296 /nfs/dbraw/zinc/44/32/96/804443296.db2.gz UYHQJPIDZDIQIM-UHFFFAOYSA-N 1 1 276.767 3.463 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1c1cnccn1 ZINC001140466226 804443316 /nfs/dbraw/zinc/44/33/16/804443316.db2.gz BUHWDECVMBKDLJ-CQSZACIVSA-N 1 1 289.766 3.173 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1c1cnccn1 ZINC001140466226 804443320 /nfs/dbraw/zinc/44/33/20/804443320.db2.gz BUHWDECVMBKDLJ-CQSZACIVSA-N 1 1 289.766 3.173 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c1O ZINC001140745739 804502679 /nfs/dbraw/zinc/50/26/79/804502679.db2.gz MZXXXSARPLQWRX-INIZCTEOSA-N 1 1 297.398 3.471 20 10 CGCDMO CSCC[N@@H+](C)Cc1ccc(N(C)C)cc1Cl ZINC001140926254 804550451 /nfs/dbraw/zinc/55/04/51/804550451.db2.gz JIMNCOCJUFISPK-UHFFFAOYSA-N 1 1 272.845 3.201 20 10 CGCDMO Cc1ccc(C[N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c(O)c1 ZINC001140948111 804556166 /nfs/dbraw/zinc/55/61/66/804556166.db2.gz UCBCAUIWJAZVCP-VXGBXAGGSA-N 1 1 291.288 3.280 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)c(O)c1 ZINC001140948517 804556770 /nfs/dbraw/zinc/55/67/70/804556770.db2.gz LHBJZQHWSNOBLK-CYBMUJFWSA-N 1 1 273.298 3.270 20 10 CGCDMO C[N@H+](Cc1ccc(F)cc1)Cc1cc(F)c(F)cc1O ZINC001142501880 804726687 /nfs/dbraw/zinc/72/66/87/804726687.db2.gz DVQLNDSUCQSZJQ-UHFFFAOYSA-N 1 1 281.277 3.442 20 10 CGCDMO C[N@@H+](Cc1ccc(F)cc1)Cc1cc(F)c(F)cc1O ZINC001142501880 804726691 /nfs/dbraw/zinc/72/66/91/804726691.db2.gz DVQLNDSUCQSZJQ-UHFFFAOYSA-N 1 1 281.277 3.442 20 10 CGCDMO C[C@H]1C[N@H+](Cc2cc(F)c(F)cc2O)CCC1(F)F ZINC001142508909 804728113 /nfs/dbraw/zinc/72/81/13/804728113.db2.gz PNGLQEIGYIGHER-QMMMGPOBSA-N 1 1 277.261 3.148 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)CCC1(F)F ZINC001142508909 804728116 /nfs/dbraw/zinc/72/81/16/804728116.db2.gz PNGLQEIGYIGHER-QMMMGPOBSA-N 1 1 277.261 3.148 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC001142524656 804731928 /nfs/dbraw/zinc/73/19/28/804731928.db2.gz FXZGDOLURCAZHR-LBPRGKRZSA-N 1 1 290.313 3.055 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC001142524656 804731934 /nfs/dbraw/zinc/73/19/34/804731934.db2.gz FXZGDOLURCAZHR-LBPRGKRZSA-N 1 1 290.313 3.055 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH+]1CC2CCC(CC2)C1 ZINC001142527009 804732262 /nfs/dbraw/zinc/73/22/62/804732262.db2.gz GFBHHNSLNLKZRK-UHFFFAOYSA-N 1 1 267.319 3.292 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH+]1CCC2(CCOCC2)CC1 ZINC001142527406 804734116 /nfs/dbraw/zinc/73/41/16/804734116.db2.gz TYGGVZQZWWZCFE-UHFFFAOYSA-N 1 1 297.345 3.063 20 10 CGCDMO C[C@@H]1CO[C@@H]2C[N@@H+](Cc3cccc(C(C)(C)C)c3O)C[C@H]12 ZINC001143112501 804804098 /nfs/dbraw/zinc/80/40/98/804804098.db2.gz TZALYBBJDLZTSW-XNRPHZJLSA-N 1 1 289.419 3.156 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@@H](C)CCSC ZINC001258223483 807374182 /nfs/dbraw/zinc/37/41/82/807374182.db2.gz DIJONSQFLYBBIM-LBPRGKRZSA-N 1 1 253.411 3.356 20 10 CGCDMO CCN(C)c1ccc(CN2C[C@H](C)[N@@H+](CC)C[C@@H]2C)cc1 ZINC001168839526 807523758 /nfs/dbraw/zinc/52/37/58/807523758.db2.gz VDNBTPCYVSAKHI-HOTGVXAUSA-N 1 1 289.467 3.057 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+]2C[C@H](C)N(CC)C[C@@H]2C)cc1 ZINC001168839526 807523762 /nfs/dbraw/zinc/52/37/62/807523762.db2.gz VDNBTPCYVSAKHI-HOTGVXAUSA-N 1 1 289.467 3.057 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2C[C@H](C)N(CC)C[C@@H]2C)cc1 ZINC001168839526 807523764 /nfs/dbraw/zinc/52/37/64/807523764.db2.gz VDNBTPCYVSAKHI-HOTGVXAUSA-N 1 1 289.467 3.057 20 10 CGCDMO C[N@H+](Cc1cccc(F)c1)Cc1cc(F)cc(F)c1O ZINC001180497813 810006276 /nfs/dbraw/zinc/00/62/76/810006276.db2.gz UXEMCXRFSNWZGI-UHFFFAOYSA-N 1 1 281.277 3.442 20 10 CGCDMO C[N@@H+](Cc1cccc(F)c1)Cc1cc(F)cc(F)c1O ZINC001180497813 810006282 /nfs/dbraw/zinc/00/62/82/810006282.db2.gz UXEMCXRFSNWZGI-UHFFFAOYSA-N 1 1 281.277 3.442 20 10 CGCDMO Oc1c(F)cccc1C[NH2+]Cc1cc(F)cnc1Cl ZINC001181987291 810087249 /nfs/dbraw/zinc/08/72/49/810087249.db2.gz QVAXSEZQTNTRGK-UHFFFAOYSA-N 1 1 284.693 3.009 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC[C@@H](OC(C)C)C2)c(O)c1 ZINC001182726323 810121473 /nfs/dbraw/zinc/12/14/73/810121473.db2.gz RGVYKJNMKMUYCL-CQSZACIVSA-N 1 1 293.407 3.099 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC[C@H](F)CC2)c1O ZINC001203602403 812405589 /nfs/dbraw/zinc/40/55/89/812405589.db2.gz UZOLZYCRQZCYEI-ZDUSSCGKSA-N 1 1 267.344 3.115 20 10 CGCDMO O=C1CC[N@@H+](Cc2cc(Cl)ccc2O)[C@H]2CCCC[C@H]12 ZINC001203648141 812415613 /nfs/dbraw/zinc/41/56/13/812415613.db2.gz FCLWVJSRWISUNA-KBPBESRZSA-N 1 1 293.794 3.379 20 10 CGCDMO O=C1CC[N@H+](Cc2cc(Cl)ccc2O)[C@H]2CCCC[C@H]12 ZINC001203648141 812415619 /nfs/dbraw/zinc/41/56/19/812415619.db2.gz FCLWVJSRWISUNA-KBPBESRZSA-N 1 1 293.794 3.379 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](C)C(F)(F)CC2)c1 ZINC001203670392 812425304 /nfs/dbraw/zinc/42/53/04/812425304.db2.gz QMCWAGIUGQYEFL-LLVKDONJSA-N 1 1 285.334 3.268 20 10 CGCDMO COC[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)C(C)C ZINC001203809962 812468719 /nfs/dbraw/zinc/46/87/19/812468719.db2.gz OJBJTGSSWPISBV-JTQLQIEISA-N 1 1 289.778 3.193 20 10 CGCDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(O)c(O)c3)C2)cc1 ZINC001203880545 812478381 /nfs/dbraw/zinc/47/83/81/812478381.db2.gz VJPHBZVCVSVBGI-OAHLLOKOSA-N 1 1 299.370 3.096 20 10 CGCDMO Oc1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)cc1O ZINC001203878343 812478894 /nfs/dbraw/zinc/47/88/94/812478894.db2.gz DUQWXQGQRFSSQM-HNNXBMFYSA-N 1 1 284.359 3.220 20 10 CGCDMO Oc1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2)cc1O ZINC001203878343 812478896 /nfs/dbraw/zinc/47/88/96/812478896.db2.gz DUQWXQGQRFSSQM-HNNXBMFYSA-N 1 1 284.359 3.220 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)cc1 ZINC001203931492 812495107 /nfs/dbraw/zinc/49/51/07/812495107.db2.gz RVOUWLVFKARUBD-GJZGRUSLSA-N 1 1 268.351 3.025 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@](C)(F)[C@@H](F)C2)cc1 ZINC001203931492 812495110 /nfs/dbraw/zinc/49/51/10/812495110.db2.gz RVOUWLVFKARUBD-GJZGRUSLSA-N 1 1 268.351 3.025 20 10 CGCDMO CN(C)CCC[N@H+](C)Cc1ccc(N(C)C)c2ccccc12 ZINC001204232980 812579970 /nfs/dbraw/zinc/57/99/70/812579970.db2.gz MLTOXPLVWMWYOY-UHFFFAOYSA-N 1 1 299.462 3.289 20 10 CGCDMO CN(C)CCC[N@@H+](C)Cc1ccc(N(C)C)c2ccccc12 ZINC001204232980 812579972 /nfs/dbraw/zinc/57/99/72/812579972.db2.gz MLTOXPLVWMWYOY-UHFFFAOYSA-N 1 1 299.462 3.289 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)c2ccccc12)C1CN(C)C1 ZINC001204240267 812581117 /nfs/dbraw/zinc/58/11/17/812581117.db2.gz MVJMTYCPAOAJCD-UHFFFAOYSA-N 1 1 297.446 3.042 20 10 CGCDMO CC(C)[C@H]1COCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204323036 812612365 /nfs/dbraw/zinc/61/23/65/812612365.db2.gz ZLEGAHBHRCKJEC-GOSISDBHSA-N 1 1 288.435 3.144 20 10 CGCDMO C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204325111 812612628 /nfs/dbraw/zinc/61/26/28/812612628.db2.gz QXUVLYGWCHZFGS-HIFRSBDPSA-N 1 1 262.372 3.219 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@@H]2C[C@H]3C=C[C@@H]2C3)cc1 ZINC001207632938 813621474 /nfs/dbraw/zinc/62/14/74/813621474.db2.gz WDCXQBUZUNMACW-BBWFWOEESA-N 1 1 270.420 3.397 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+](C)CC2COC2)cc1 ZINC001209520218 814072640 /nfs/dbraw/zinc/07/26/40/814072640.db2.gz QWRVMMGNZUWBNK-UHFFFAOYSA-N 1 1 284.403 3.172 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)[nH]1 ZINC001209579176 814090277 /nfs/dbraw/zinc/09/02/77/814090277.db2.gz SRRIMYXXFQXPPW-UHFFFAOYSA-N 1 1 257.381 3.021 20 10 CGCDMO Oc1c(Cl)cccc1CN1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222394887 816431135 /nfs/dbraw/zinc/43/11/35/816431135.db2.gz CHOYDBLVLOANKM-MRXNPFEDSA-N 1 1 294.826 3.154 20 10 CGCDMO Cc1cc(C[N@@H+](C)Cc2c(O)ccc3ccccc32)n(C)n1 ZINC001231590166 818128851 /nfs/dbraw/zinc/12/88/51/818128851.db2.gz OGUXQEVCMPVUSF-UHFFFAOYSA-N 1 1 295.386 3.219 20 10 CGCDMO Cc1cccc(C[N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c1O ZINC001231591039 818131332 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CC[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@H](C)OC ZINC001326023139 934944599 /nfs/dbraw/zinc/94/45/99/934944599.db2.gz VREAJRMQKGPESZ-HNNXBMFYSA-N 1 1 276.424 3.144 20 10 CGCDMO CC[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H](C)OC ZINC001326023140 934944731 /nfs/dbraw/zinc/94/47/31/934944731.db2.gz VREAJRMQKGPESZ-OAHLLOKOSA-N 1 1 276.424 3.144 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)Cc2ccoc2C)c1O ZINC001334351176 936098919 /nfs/dbraw/zinc/09/89/19/936098919.db2.gz XIYHMBOYKNNLBD-UHFFFAOYSA-N 1 1 275.348 3.243 20 10 CGCDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccco2)c(O)c1OC ZINC001336672895 936205381 /nfs/dbraw/zinc/20/53/81/936205381.db2.gz JTCJIOMFTMGOON-NSHDSACASA-N 1 1 291.347 3.195 20 10 CGCDMO CCc1cc(C[NH2+]Cc2ccc(N3CCCC3)cc2)on1 ZINC001474020732 937836003 /nfs/dbraw/zinc/83/60/03/937836003.db2.gz OWYGIRZDXNNTOA-UHFFFAOYSA-N 1 1 285.391 3.127 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)[C@H](C)c2ccco2)c(O)c1 ZINC001474401447 937857683 /nfs/dbraw/zinc/85/76/83/937857683.db2.gz NWWPOPBKSZKZCN-GFCCVEGCSA-N 1 1 275.348 3.495 20 10 CGCDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2O)CCCO1 ZINC001474551799 937866352 /nfs/dbraw/zinc/86/63/52/937866352.db2.gz UDQGYCCWVVPSMS-HNNXBMFYSA-N 1 1 283.799 3.293 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC001474546799 937866411 /nfs/dbraw/zinc/86/64/11/937866411.db2.gz PNECJYCGTHWHMC-JKSUJKDBSA-N 1 1 293.794 3.189 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC001474546799 937866412 /nfs/dbraw/zinc/86/64/12/937866412.db2.gz PNECJYCGTHWHMC-JKSUJKDBSA-N 1 1 293.794 3.189 20 10 CGCDMO CCc1cc(C[NH2+]Cc2c(C)c3ccccc3n2C)on1 ZINC001560349457 938254462 /nfs/dbraw/zinc/25/44/62/938254462.db2.gz KYUXNCFAYAUNII-UHFFFAOYSA-N 1 1 283.375 3.327 20 10 CGCDMO OCC[N@@H+](Cc1ccc(Cl)cc1O)C1CCCCC1 ZINC001560628615 938267041 /nfs/dbraw/zinc/26/70/41/938267041.db2.gz NYRZIFJOFWGXMT-UHFFFAOYSA-N 1 1 283.799 3.173 20 10 CGCDMO Oc1cc(Cl)ccc1C[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC001560732203 938273077 /nfs/dbraw/zinc/27/30/77/938273077.db2.gz GILKVHORXRXFGA-DZGCQCFKSA-N 1 1 281.783 3.093 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@]2(CO)CC(C)C)c1O ZINC001560802286 938276797 /nfs/dbraw/zinc/27/67/97/938276797.db2.gz PZFGAAJYTIKNJQ-GOSISDBHSA-N 1 1 291.435 3.328 20 10 CGCDMO C[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(Cl)cc1O ZINC001560806394 938276897 /nfs/dbraw/zinc/27/68/97/938276897.db2.gz JXNHOEYBDVYWDB-JTQLQIEISA-N 1 1 269.772 3.045 20 10 CGCDMO C[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(Cl)cc1O ZINC001560806394 938276898 /nfs/dbraw/zinc/27/68/98/938276898.db2.gz JXNHOEYBDVYWDB-JTQLQIEISA-N 1 1 269.772 3.045 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)C(C2CC2)C2CC2)c1O ZINC000092704030 370100402 /nfs/dbraw/zinc/10/04/02/370100402.db2.gz USCAOPOHWVCBOF-UHFFFAOYSA-N 1 1 275.392 3.411 20 10 CGCDMO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1O ZINC000294704632 372667308 /nfs/dbraw/zinc/66/73/08/372667308.db2.gz BMVUEEDPVCQUQV-HUORLRHWSA-N 1 1 274.408 3.058 20 10 CGCDMO CCCOc1ccc(C[N@H+]2CC[C@@H](SC)C2)c(O)c1 ZINC000295126456 372694530 /nfs/dbraw/zinc/69/45/30/372694530.db2.gz XKISFNYOUWUKKN-CQSZACIVSA-N 1 1 281.421 3.118 20 10 CGCDMO CC[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc(F)cc1O ZINC000296384282 373113429 /nfs/dbraw/zinc/11/34/29/373113429.db2.gz JTDOWPGSXYJEEW-TZMCWYRMSA-N 1 1 267.344 3.140 20 10 CGCDMO CCSCC[C@H](C)[N@@H+](C)Cc1cc(OC)ccc1O ZINC000180670879 374033184 /nfs/dbraw/zinc/03/31/84/374033184.db2.gz CBLJRVQIRGAVND-LBPRGKRZSA-N 1 1 283.437 3.364 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCS[C@@H](C)CC2)c1 ZINC000190700166 375531965 /nfs/dbraw/zinc/53/19/65/375531965.db2.gz NGEDJWGVYNOXNX-LBPRGKRZSA-N 1 1 281.421 3.118 20 10 CGCDMO Cc1cc[nH+]c(N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000268293425 378053215 /nfs/dbraw/zinc/05/32/15/378053215.db2.gz FGYDGOCVLWTNID-HNNXBMFYSA-N 1 1 297.402 3.400 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)Cc2cccs2)cc1OC ZINC000271115478 378454747 /nfs/dbraw/zinc/45/47/47/378454747.db2.gz WBCPFLKBKFVNBI-UHFFFAOYSA-N 1 1 293.388 3.103 20 10 CGCDMO COc1ccccc1C[N@H+](C)Cc1cccc(F)c1O ZINC000272244961 378593870 /nfs/dbraw/zinc/59/38/70/378593870.db2.gz HGMCWFPJYQVOJS-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO COc1ccccc1C[N@@H+](C)Cc1cccc(F)c1O ZINC000272244961 378593875 /nfs/dbraw/zinc/59/38/75/378593875.db2.gz HGMCWFPJYQVOJS-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H]2C2CC2)c1O ZINC000371419508 379161683 /nfs/dbraw/zinc/16/16/83/379161683.db2.gz MWIVWSHNEVCCFF-CQSZACIVSA-N 1 1 261.365 3.165 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1O ZINC000375300373 379490955 /nfs/dbraw/zinc/49/09/55/379490955.db2.gz AGPKGGBCUPADLN-MRXNPFEDSA-N 1 1 295.810 3.357 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])[C@H](C)C1 ZINC000282300144 379893080 /nfs/dbraw/zinc/89/30/80/379893080.db2.gz MFYGJRQFZLVFSO-ZYHUDNBSSA-N 1 1 269.772 3.045 20 10 CGCDMO CCCC[N@@H+](CCn1ccnc1C)Cc1ccccc1O ZINC000282526497 379938691 /nfs/dbraw/zinc/93/86/91/379938691.db2.gz UMFQBUOENILBGL-UHFFFAOYSA-N 1 1 287.407 3.199 20 10 CGCDMO CC[C@@H]([NH2+]Cc1c(C)noc1C)c1ccc(F)cc1O ZINC000286103063 380161270 /nfs/dbraw/zinc/16/12/70/380161270.db2.gz NIOXFCDPAZGGGL-CQSZACIVSA-N 1 1 278.327 3.377 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)c1ccc(F)cc1O ZINC000285909396 380152314 /nfs/dbraw/zinc/15/23/14/380152314.db2.gz BUJRMYGBOIWDPF-MEBBXXQBSA-N 1 1 291.370 3.235 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)c1ccc(F)cc1O ZINC000285909400 380153649 /nfs/dbraw/zinc/15/36/49/380153649.db2.gz BUJRMYGBOIWDPF-ZUZCIYMTSA-N 1 1 291.370 3.235 20 10 CGCDMO Cc1c2ccccc2n(C)c1CNc1nc(C)[nH+]c(C)c1C ZINC000359834549 381373608 /nfs/dbraw/zinc/37/36/08/381373608.db2.gz HOMJJRKBLNVRIU-UHFFFAOYSA-N 1 1 294.402 3.236 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC3(CCC3)C[C@@H]2C)c1 ZINC000365446288 382286778 /nfs/dbraw/zinc/28/67/78/382286778.db2.gz ZOSPMXQOKZVRME-LBPRGKRZSA-N 1 1 261.365 3.165 20 10 CGCDMO COc1cccc(C[N@@H+](C)CCc2cccs2)c1O ZINC000093685508 392239443 /nfs/dbraw/zinc/23/94/43/392239443.db2.gz PVYVHVPWEPUZIT-UHFFFAOYSA-N 1 1 277.389 3.137 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)c1O ZINC000282175433 392284722 /nfs/dbraw/zinc/28/47/22/392284722.db2.gz FFZHHQXVAQGNLZ-ZWNOBZJWSA-N 1 1 299.798 3.054 20 10 CGCDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000124512763 392435254 /nfs/dbraw/zinc/43/52/54/392435254.db2.gz AVMDMTQNDRZNBI-CMPLNLGQSA-N 1 1 269.772 3.045 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2cnc(C)s2)c1 ZINC000179383624 392700549 /nfs/dbraw/zinc/70/05/49/392700549.db2.gz OKUNAIVOBNRTIY-UHFFFAOYSA-N 1 1 292.404 3.188 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccccc2O)C[C@H](c2ccccc2)O1 ZINC000179563372 392702276 /nfs/dbraw/zinc/70/22/76/392702276.db2.gz ALKRNGKTANWAHN-KBXCAEBGSA-N 1 1 283.371 3.354 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+]2CCn3cccc3[C@H]2C)c1 ZINC000179568473 392703602 /nfs/dbraw/zinc/70/36/02/392703602.db2.gz ZWYVKASIQRKJAN-CYBMUJFWSA-N 1 1 286.375 3.169 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCn3cccc3[C@H]2C)c1 ZINC000179568473 392703607 /nfs/dbraw/zinc/70/36/07/392703607.db2.gz ZWYVKASIQRKJAN-CYBMUJFWSA-N 1 1 286.375 3.169 20 10 CGCDMO Cc1cccc(C[N@H+]2CCS[C@@H](C)CC2)c1O ZINC000190684948 392817072 /nfs/dbraw/zinc/81/70/72/392817072.db2.gz WZHAQBGNOFUJIX-LBPRGKRZSA-N 1 1 251.395 3.028 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000271051371 393243547 /nfs/dbraw/zinc/24/35/47/393243547.db2.gz WFKRWNPYMHZGMA-GOSISDBHSA-N 1 1 283.371 3.274 20 10 CGCDMO C[N@H+](CCCNCc1ccccc1O)C1CCCCC1 ZINC000037901087 260119792 /nfs/dbraw/zinc/11/97/92/260119792.db2.gz KNLCRKKKQYDETO-UHFFFAOYSA-N 1 1 276.424 3.136 20 10 CGCDMO C[N@@H+](CCCNCc1ccccc1O)C1CCCCC1 ZINC000037901087 260119793 /nfs/dbraw/zinc/11/97/93/260119793.db2.gz KNLCRKKKQYDETO-UHFFFAOYSA-N 1 1 276.424 3.136 20 10 CGCDMO CCN(CC)c1ccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000090721004 260261799 /nfs/dbraw/zinc/26/17/99/260261799.db2.gz GPWNXEVIKDWOPK-WBVHZDCISA-N 1 1 289.467 3.105 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)CC2CCCC2)cc1OC ZINC000160031173 261202913 /nfs/dbraw/zinc/20/29/13/261202913.db2.gz PSQPVWSKGNMPDX-UHFFFAOYSA-N 1 1 279.380 3.031 20 10 CGCDMO C[C@@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1ccc(F)cc1O ZINC000185644112 262063456 /nfs/dbraw/zinc/06/34/56/262063456.db2.gz QXHACFHGKZDFBT-XFBWCDHKSA-N 1 1 281.371 3.123 20 10 CGCDMO CCOC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)C(C)C ZINC000189353703 264293013 /nfs/dbraw/zinc/29/30/13/264293013.db2.gz QZCPACVRAQYNMZ-SMDDNHRTSA-N 1 1 269.360 3.243 20 10 CGCDMO CC[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)N1CCCC1 ZINC000184990738 327835759 /nfs/dbraw/zinc/83/57/59/327835759.db2.gz RNSJATYOZASZHU-JSGCOSHPSA-N 1 1 280.387 3.056 20 10 CGCDMO CCC[C@](C)(O)C[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000285986970 328248714 /nfs/dbraw/zinc/24/87/14/328248714.db2.gz HXFILXQVDILEAX-HIFRSBDPSA-N 1 1 269.360 3.123 20 10 CGCDMO COCCc1cc[nH+]c(N[C@H](C)c2ccccc2O)c1 ZINC000287327736 328250863 /nfs/dbraw/zinc/25/08/63/328250863.db2.gz FUOUODFPZMYGHR-GFCCVEGCSA-N 1 1 272.348 3.149 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)cc1C ZINC000378338534 329046627 /nfs/dbraw/zinc/04/66/27/329046627.db2.gz YQHYNGBBHXWQMH-OAHLLOKOSA-N 1 1 299.418 3.122 20 10 CGCDMO CC1(C)[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)[C@@H]2CCO[C@H]21 ZINC000253354012 329962412 /nfs/dbraw/zinc/96/24/12/329962412.db2.gz XTILVSSKXSGNGX-MCCGJVOXSA-N 1 1 299.773 3.088 20 10 CGCDMO CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000528000967 330299898 /nfs/dbraw/zinc/29/98/98/330299898.db2.gz TWXIGFWQYKKLOO-VQISRLSMSA-N 1 1 267.344 3.138 20 10 CGCDMO CC[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1ccc(F)cc1O ZINC000528004386 330300332 /nfs/dbraw/zinc/30/03/32/330300332.db2.gz FXXCSRZPUNJRHF-WZUUSUIZSA-N 1 1 281.371 3.384 20 10 CGCDMO CC1(C)C[N@@H+](Cc2ccccc2O)[C@H]1c1cccnc1 ZINC000292870140 520482312 /nfs/dbraw/zinc/48/23/12/520482312.db2.gz WJOIDOZNLHDBAD-INIZCTEOSA-N 1 1 268.360 3.370 20 10 CGCDMO CCOc1cccc(C[N@@H+](Cc2cccnc2)C2CC2)c1O ZINC000290361335 521333535 /nfs/dbraw/zinc/33/35/35/521333535.db2.gz GVCGHCRNKXJLEM-UHFFFAOYSA-N 1 1 298.386 3.351 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(C)cc1O ZINC000280011062 522632829 /nfs/dbraw/zinc/63/28/29/522632829.db2.gz GRTHFTUIVGWWEJ-PBHICJAKSA-N 1 1 288.435 3.226 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)CCN(C)C)c1ccc(C)cc1O ZINC000280058446 522908881 /nfs/dbraw/zinc/90/88/81/522908881.db2.gz KENXMRMYQGMEJB-DZGCQCFKSA-N 1 1 264.413 3.082 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC(C)(C)[C@H]2c2cccnc2)c1 ZINC000366554474 524738599 /nfs/dbraw/zinc/73/85/99/524738599.db2.gz LVBPZPDRJNAPBT-QGZVFWFLSA-N 1 1 298.386 3.379 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c1O ZINC000276020583 524862223 /nfs/dbraw/zinc/86/22/23/524862223.db2.gz PGBDQDZMVDPBPJ-HDJSIYSDSA-N 1 1 283.799 3.089 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC(F)(F)[C@H](C)C2)cc1C ZINC000291710049 525316618 /nfs/dbraw/zinc/31/66/18/525316618.db2.gz ZTKJCSDPUBOAGK-GFCCVEGCSA-N 1 1 269.335 3.486 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CCCc2occc2C1 ZINC000290162836 526329098 /nfs/dbraw/zinc/32/90/98/526329098.db2.gz LZQUNHIKIZVSIO-UHFFFAOYSA-N 1 1 261.296 3.073 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CCCc2occc2C1 ZINC000290162836 526329104 /nfs/dbraw/zinc/32/91/04/526329104.db2.gz LZQUNHIKIZVSIO-UHFFFAOYSA-N 1 1 261.296 3.073 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000290363274 526329991 /nfs/dbraw/zinc/32/99/91/526329991.db2.gz AAVCIAWGKHNISM-ZBFHGGJFSA-N 1 1 291.366 3.065 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000290363274 526329995 /nfs/dbraw/zinc/32/99/95/526329995.db2.gz AAVCIAWGKHNISM-ZBFHGGJFSA-N 1 1 291.366 3.065 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278403513 526372897 /nfs/dbraw/zinc/37/28/97/526372897.db2.gz OQTCZWVZGHFCCU-SNVBAGLBSA-N 1 1 259.271 3.167 20 10 CGCDMO Cc1ncsc1C[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000738159564 571931405 /nfs/dbraw/zinc/93/14/05/571931405.db2.gz FTFQPMOWUGBHOP-UHFFFAOYSA-N 1 1 288.416 3.278 20 10 CGCDMO COc1ccc(C)cc1C[N@@H+](C)Cc1ccccc1O ZINC000731843487 572429430 /nfs/dbraw/zinc/42/94/30/572429430.db2.gz KJUSUSAYBWNKIF-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO COC(=O)c1cc2ccccc2c(C[N@@H+](C)C2CCC2)c1O ZINC000742173704 572556957 /nfs/dbraw/zinc/55/69/57/572556957.db2.gz VFHXCUYVPIKALE-UHFFFAOYSA-N 1 1 299.370 3.316 20 10 CGCDMO CCC[N@@H+](C)Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000746075005 572849232 /nfs/dbraw/zinc/84/92/32/572849232.db2.gz XBZSCFQJSBPYPK-UHFFFAOYSA-N 1 1 287.359 3.174 20 10 CGCDMO CC(C)(O)CC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000749839510 573045622 /nfs/dbraw/zinc/04/56/22/573045622.db2.gz CWJOMCMYFZOIOP-UHFFFAOYSA-N 1 1 289.375 3.148 20 10 CGCDMO CC[C@@]1(C)CCC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160311609 617949409 /nfs/dbraw/zinc/94/94/09/617949409.db2.gz ACDICTNZRUNECX-KRWDZBQOSA-N 1 1 293.407 3.422 20 10 CGCDMO COC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000307789401 618078829 /nfs/dbraw/zinc/07/88/29/618078829.db2.gz UZRGJLDKQCQZGI-ZDUSSCGKSA-N 1 1 269.772 3.047 20 10 CGCDMO CC[N@@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000156844799 618149600 /nfs/dbraw/zinc/14/96/00/618149600.db2.gz IHWBBWCTTOMECS-UHFFFAOYSA-N 1 1 258.365 3.368 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)C[C@H]2CCOC2)cc1C(C)C ZINC000176090252 618330926 /nfs/dbraw/zinc/33/09/26/618330926.db2.gz UOPKSTJKJLNXPW-CQSZACIVSA-N 1 1 277.408 3.292 20 10 CGCDMO CCC[N@@H+](Cc1cn(C)nc1C1CC1)Cc1ccccc1O ZINC000891853366 618341826 /nfs/dbraw/zinc/34/18/26/618341826.db2.gz KMKVAYYKBDZFSX-UHFFFAOYSA-N 1 1 299.418 3.415 20 10 CGCDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC000892068815 618516910 /nfs/dbraw/zinc/51/69/10/618516910.db2.gz UFPGCKWWPASBAK-WCQYABFASA-N 1 1 279.380 3.030 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000179401358 618781742 /nfs/dbraw/zinc/78/17/42/618781742.db2.gz YSAOEBCQEOFMNB-OAHLLOKOSA-N 1 1 276.424 3.144 20 10 CGCDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2O)C1(C)C ZINC000179560827 618794937 /nfs/dbraw/zinc/79/49/37/618794937.db2.gz KECXUVKSZMOZSY-HUUCEWRRSA-N 1 1 263.381 3.028 20 10 CGCDMO CCN1CC[C@H]([N@H+](C)Cc2cccc(C)c2O)C[C@H]1C ZINC000775716391 619099060 /nfs/dbraw/zinc/09/90/60/619099060.db2.gz VREXBFHDFLBGED-ZBFHGGJFSA-N 1 1 276.424 3.005 20 10 CGCDMO CCN1CC[C@H]([N@@H+](C)Cc2cccc(C)c2O)C[C@H]1C ZINC000775716391 619099064 /nfs/dbraw/zinc/09/90/64/619099064.db2.gz VREXBFHDFLBGED-ZBFHGGJFSA-N 1 1 276.424 3.005 20 10 CGCDMO CCOCC[N@@H+](C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000092885329 619140434 /nfs/dbraw/zinc/14/04/34/619140434.db2.gz JTIREVJDXZMJIC-UHFFFAOYSA-N 1 1 295.423 3.167 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000840936522 619227477 /nfs/dbraw/zinc/22/74/77/619227477.db2.gz KTRDSLBDBZZADF-WMZOPIPTSA-N 1 1 290.451 3.044 20 10 CGCDMO Cc1cccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1O ZINC000840956794 619269174 /nfs/dbraw/zinc/26/91/74/619269174.db2.gz FAGFSGQDNKKFOH-SJORKVTESA-N 1 1 283.371 3.009 20 10 CGCDMO COc1ccccc1C[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000893882501 619326463 /nfs/dbraw/zinc/32/64/63/619326463.db2.gz KAFNVVHYYRFJPQ-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO COc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)c(O)c1OC ZINC000894314597 619487140 /nfs/dbraw/zinc/48/71/40/619487140.db2.gz AFQOHJSUBCPKJJ-GXTWGEPZSA-N 1 1 293.407 3.420 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000894493832 619555663 /nfs/dbraw/zinc/55/56/63/619555663.db2.gz DZVVYKHWWJQYQA-AWEZNQCLSA-N 1 1 297.345 3.061 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000894493832 619555670 /nfs/dbraw/zinc/55/56/70/619555670.db2.gz DZVVYKHWWJQYQA-AWEZNQCLSA-N 1 1 297.345 3.061 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c1O ZINC000894904935 619679743 /nfs/dbraw/zinc/67/97/43/619679743.db2.gz BLOSSAGVEPIJKC-NVXWUHKLSA-N 1 1 287.403 3.330 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000895073455 619712631 /nfs/dbraw/zinc/71/26/31/619712631.db2.gz HMMZKKYRAKHYPK-XHDPSFHLSA-N 1 1 297.345 3.061 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000895073455 619712633 /nfs/dbraw/zinc/71/26/33/619712633.db2.gz HMMZKKYRAKHYPK-XHDPSFHLSA-N 1 1 297.345 3.061 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH+]1CC(Cc2cccs2)C1 ZINC000895409967 619822865 /nfs/dbraw/zinc/82/28/65/619822865.db2.gz BKGYQCYUXMCGGR-UHFFFAOYSA-N 1 1 295.354 3.406 20 10 CGCDMO COc1cccc(C[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)c1O ZINC000896230535 619970995 /nfs/dbraw/zinc/97/09/95/619970995.db2.gz JHAAUIHIHGYIOA-APWZRJJASA-N 1 1 295.382 3.174 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]Cc1cccc2c1CCC2 ZINC000896638333 620041758 /nfs/dbraw/zinc/04/17/58/620041758.db2.gz OXMHFGRMBXSATL-UHFFFAOYSA-N 1 1 271.335 3.310 20 10 CGCDMO CCOc1ccc(C[NH2+]Cc2c(O)cccc2F)cc1 ZINC000896640676 620042498 /nfs/dbraw/zinc/04/24/98/620042498.db2.gz LLDFFLULCRJEJW-UHFFFAOYSA-N 1 1 275.323 3.220 20 10 CGCDMO C[C@@H](Cc1cccnc1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000897967292 620458606 /nfs/dbraw/zinc/45/86/06/620458606.db2.gz MRAZDSWQTYQSML-JTQLQIEISA-N 1 1 294.757 3.301 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1cncs1)c1ccc(F)cc1O ZINC000903311368 621683414 /nfs/dbraw/zinc/68/34/14/621683414.db2.gz OUMDDVLIZDHPII-BDAKNGLRSA-N 1 1 266.341 3.400 20 10 CGCDMO CCOc1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C)c(O)c1 ZINC000769445667 625569214 /nfs/dbraw/zinc/56/92/14/625569214.db2.gz JZBUSCIDFDXMFJ-STQMWFEESA-N 1 1 263.381 3.411 20 10 CGCDMO CSCC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000168787912 623014218 /nfs/dbraw/zinc/01/42/18/623014218.db2.gz ZDLOECZIKKFOGE-VHSXEESVSA-N 1 1 257.374 3.324 20 10 CGCDMO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)N1CCCCC1 ZINC000062747841 623266176 /nfs/dbraw/zinc/26/61/76/623266176.db2.gz MXURJLWNADMNKE-OLZOCXBDSA-N 1 1 280.387 3.056 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCCOC)cc1 ZINC000193709010 624019945 /nfs/dbraw/zinc/01/99/45/624019945.db2.gz BITDQBGSEATELZ-UHFFFAOYSA-N 1 1 264.413 3.001 20 10 CGCDMO Cc1cc(N(Cc2ccc(N(C)C)cc2)C2CC2)nc(C)[nH+]1 ZINC000917091026 624237310 /nfs/dbraw/zinc/23/73/10/624237310.db2.gz FHYLGOZAJOXDJP-UHFFFAOYSA-N 1 1 296.418 3.328 20 10 CGCDMO CS[C@H]1CCCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180283195 624733916 /nfs/dbraw/zinc/73/39/16/624733916.db2.gz PPNYSJIVWYFXEM-ZDUSSCGKSA-N 1 1 269.385 3.249 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cc(F)ccc2O)cc1 ZINC000183246633 625056569 /nfs/dbraw/zinc/05/65/69/625056569.db2.gz DDFUWYVHXAZDJS-UHFFFAOYSA-N 1 1 288.366 3.229 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000922583020 626016349 /nfs/dbraw/zinc/01/63/49/626016349.db2.gz SIQJDFFITFMAOI-HNNXBMFYSA-N 1 1 290.313 3.306 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](CC(C)C)C2CC2)c1O ZINC000163920426 626084519 /nfs/dbraw/zinc/08/45/19/626084519.db2.gz ZYPJFAOUIOCERD-UHFFFAOYSA-N 1 1 263.381 3.330 20 10 CGCDMO C[C@H]1OCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)[C@H]1C ZINC000164202261 626085884 /nfs/dbraw/zinc/08/58/84/626085884.db2.gz OPZQPTKVKAVYKD-NWDGAFQWSA-N 1 1 293.407 3.005 20 10 CGCDMO C[C@H]1OCC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)[C@H]1C ZINC000164202261 626085889 /nfs/dbraw/zinc/08/58/89/626085889.db2.gz OPZQPTKVKAVYKD-NWDGAFQWSA-N 1 1 293.407 3.005 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@@H]2C2(O)CC2)cc1 ZINC000839144184 626323499 /nfs/dbraw/zinc/32/34/99/626323499.db2.gz SGPMXCFHLKKVRS-QGZVFWFLSA-N 1 1 288.435 3.022 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1[O-] ZINC000806138895 626360779 /nfs/dbraw/zinc/36/07/79/626360779.db2.gz DLVQAEUKKQEJCB-SWLSCSKDSA-N 1 1 296.842 3.428 20 10 CGCDMO COC(=O)c1cc2ccccc2c(C[N@H+]2CCC[C@@H]2C)c1O ZINC000751924136 626411634 /nfs/dbraw/zinc/41/16/34/626411634.db2.gz HAYRWKZWKPCSAK-LBPRGKRZSA-N 1 1 299.370 3.316 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H]2c2ccccn2)c1O ZINC000754723394 626584614 /nfs/dbraw/zinc/58/46/14/626584614.db2.gz RNGIVFBUCAENQY-MRXNPFEDSA-N 1 1 298.386 3.441 20 10 CGCDMO CCN(CCC[NH+](CC)CC)Cc1ccc(N(C)C)cc1 ZINC000754974969 626594862 /nfs/dbraw/zinc/59/48/62/626594862.db2.gz AUULJCCFLRPLHJ-UHFFFAOYSA-N 1 1 291.483 3.306 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccco1)c1cc(F)cc(F)c1O ZINC000756343601 626692480 /nfs/dbraw/zinc/69/24/80/626692480.db2.gz PRTZNVLHKHSJLN-MRVPVSSYSA-N 1 1 253.248 3.114 20 10 CGCDMO COc1cc(C[N@H+]2CC3(CCC3)C[C@@H]2C)c(O)cc1C ZINC000762140889 627094538 /nfs/dbraw/zinc/09/45/38/627094538.db2.gz WRGPXYIOTSBWMZ-ZDUSSCGKSA-N 1 1 275.392 3.474 20 10 CGCDMO COc1ccc(N(CCn2cc[nH+]c2C)CC(C)C)cc1 ZINC000766248019 627306618 /nfs/dbraw/zinc/30/66/18/627306618.db2.gz DQKMKYJFFJLYJG-UHFFFAOYSA-N 1 1 287.407 3.363 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)NCC[N@@H+]2CCC[C@H]2C)cc1 ZINC000766273546 627311006 /nfs/dbraw/zinc/31/10/06/627311006.db2.gz QGQIQUOVBAPMNH-HZPDHXFCSA-N 1 1 289.467 3.278 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)NCC[N@H+]2CCC[C@H]2C)cc1 ZINC000766273546 627311007 /nfs/dbraw/zinc/31/10/07/627311007.db2.gz QGQIQUOVBAPMNH-HZPDHXFCSA-N 1 1 289.467 3.278 20 10 CGCDMO CCOc1ccc(C[N@@H+]2CCn3cccc3[C@H]2C)c(O)c1 ZINC000768162564 627465037 /nfs/dbraw/zinc/46/50/37/627465037.db2.gz QFEFRVHUDKQWOP-CYBMUJFWSA-N 1 1 286.375 3.169 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCn3cccc3[C@H]2C)c(O)c1 ZINC000768162564 627465039 /nfs/dbraw/zinc/46/50/39/627465039.db2.gz QFEFRVHUDKQWOP-CYBMUJFWSA-N 1 1 286.375 3.169 20 10 CGCDMO CC[C@H]1CCC[N@@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768438576 627480166 /nfs/dbraw/zinc/48/01/66/627480166.db2.gz CCFXECRWRQPUAX-ZDUSSCGKSA-N 1 1 263.381 3.331 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@@H]2C(C)C)c(O)cc1C ZINC000768442714 627480745 /nfs/dbraw/zinc/48/07/45/627480745.db2.gz MZOOLVJXXSAGLT-CQSZACIVSA-N 1 1 263.381 3.330 20 10 CGCDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(OC)c(C)cc1O ZINC000768466428 627481304 /nfs/dbraw/zinc/48/13/04/627481304.db2.gz QGUBITNGZUCIDG-SMDDNHRTSA-N 1 1 263.381 3.330 20 10 CGCDMO CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCCOC1 ZINC000768532592 627484403 /nfs/dbraw/zinc/48/44/03/627484403.db2.gz BPSGCFRUSCDBCY-MRXNPFEDSA-N 1 1 276.424 3.001 20 10 CGCDMO C[C@H]([N@@H+](C)Cc1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC000768545176 627485888 /nfs/dbraw/zinc/48/58/88/627485888.db2.gz VBKMYUMCGTVWJX-HNNXBMFYSA-N 1 1 290.451 3.390 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCOC(C)(C)C2)cc1 ZINC000768842503 627503565 /nfs/dbraw/zinc/50/35/65/627503565.db2.gz XSXWSNODWKCPJS-UHFFFAOYSA-N 1 1 276.424 3.144 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)CC(C)(C)C)cc1F ZINC000768938178 627510141 /nfs/dbraw/zinc/51/01/41/627510141.db2.gz WMPLZOMRIKUQRV-UHFFFAOYSA-N 1 1 252.377 3.370 20 10 CGCDMO CC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000769319720 627540732 /nfs/dbraw/zinc/54/07/32/627540732.db2.gz YDCXFTCTTTVITO-HNNXBMFYSA-N 1 1 277.364 3.131 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)CCC2CC2)c1 ZINC000769416566 627550424 /nfs/dbraw/zinc/55/04/24/627550424.db2.gz CAGXWCOQXZRACH-NEPJUHHUSA-N 1 1 291.391 3.408 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCc3ccsc3C2)c(O)c1 ZINC000769433413 627551801 /nfs/dbraw/zinc/55/18/01/627551801.db2.gz JGHXZEVTRZRONZ-UHFFFAOYSA-N 1 1 289.400 3.411 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCc2cccc(F)c2C1 ZINC000769436746 627552130 /nfs/dbraw/zinc/55/21/30/627552130.db2.gz XLCIXCVRZBGVLS-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](C)CC[C@H]2C)c1 ZINC000769445162 627552629 /nfs/dbraw/zinc/55/26/29/627552629.db2.gz FRNHKWSXNXSIOF-QWHCGFSZSA-N 1 1 263.381 3.411 20 10 CGCDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769448551 627553328 /nfs/dbraw/zinc/55/33/28/627553328.db2.gz ULERGGPDSMODHS-WBVHZDCISA-N 1 1 288.435 3.144 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](C)C[C@@H]2CC)c1 ZINC000769447741 627553641 /nfs/dbraw/zinc/55/36/41/627553641.db2.gz KHVRSLAIPMZRAS-OCCSQVGLSA-N 1 1 263.381 3.411 20 10 CGCDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2c(O)cccc2OC)C1(C)C ZINC000769474122 627557996 /nfs/dbraw/zinc/55/79/96/627557996.db2.gz RTZIHBOSAKCTEC-HZPDHXFCSA-N 1 1 293.407 3.036 20 10 CGCDMO CCOc1ccc(C[N@@H+](C[C@H](C)OC)C(C)C)c(O)c1 ZINC000769475291 627558041 /nfs/dbraw/zinc/55/80/41/627558041.db2.gz VVQWHVDOWYYLBF-ZDUSSCGKSA-N 1 1 281.396 3.036 20 10 CGCDMO CC1(C)[C@@H]2C[N@H+](Cc3c(O)cccc3Cl)C[C@@H]21 ZINC000769487749 627559313 /nfs/dbraw/zinc/55/93/13/627559313.db2.gz LGNHOYHWJNBENK-PHIMTYICSA-N 1 1 251.757 3.133 20 10 CGCDMO COc1cccc(O)c1C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000769486114 627559360 /nfs/dbraw/zinc/55/93/60/627559360.db2.gz SPILOSNGICGTKC-UHFFFAOYSA-N 1 1 287.281 3.095 20 10 CGCDMO Cc1ccc2c(c1)nc(C[NH2+]Cc1cccc(F)c1O)n2C ZINC000769555682 627565710 /nfs/dbraw/zinc/56/57/10/627565710.db2.gz LORXNGKSXIZOGL-UHFFFAOYSA-N 1 1 299.349 3.016 20 10 CGCDMO CCOCC[N@@H+](C)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000771642799 627724364 /nfs/dbraw/zinc/72/43/64/627724364.db2.gz UJFSUMFCLVWJLL-UHFFFAOYSA-N 1 1 279.424 3.466 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCOC(C)(C)[C@@H]2C)cc1 ZINC000773765139 627912825 /nfs/dbraw/zinc/91/28/25/627912825.db2.gz GUNBCTRQQGTRFM-AWEZNQCLSA-N 1 1 276.424 3.142 20 10 CGCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ncc(C3CC3)o2)c1 ZINC000775372182 628086940 /nfs/dbraw/zinc/08/69/40/628086940.db2.gz ZZLATOYGPVSBAD-SNVBAGLBSA-N 1 1 288.347 3.117 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@H]2c2ccccn2)c1O ZINC000775650421 628119978 /nfs/dbraw/zinc/11/99/78/628119978.db2.gz CGJLDURNMWPZDP-INIZCTEOSA-N 1 1 268.360 3.433 20 10 CGCDMO COc1ccc2ccc(O)c(C[N@@H+]3CC=CCC3)c2c1 ZINC000778576135 628358689 /nfs/dbraw/zinc/35/86/89/628358689.db2.gz AYCLMMFFJSUJRP-UHFFFAOYSA-N 1 1 269.344 3.316 20 10 CGCDMO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H]1F ZINC000779147677 628390117 /nfs/dbraw/zinc/39/01/17/628390117.db2.gz AYSOVHJRSGAGNU-SMDDNHRTSA-N 1 1 268.351 3.072 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H]1F ZINC000779147677 628390121 /nfs/dbraw/zinc/39/01/21/628390121.db2.gz AYSOVHJRSGAGNU-SMDDNHRTSA-N 1 1 268.351 3.072 20 10 CGCDMO CC[C@]1(O)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000779217828 628394727 /nfs/dbraw/zinc/39/47/27/628394727.db2.gz CMOGAMUIHUYTMM-IBGZPJMESA-N 1 1 297.398 3.406 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)c1O ZINC000783737019 628743805 /nfs/dbraw/zinc/74/38/05/628743805.db2.gz IDYZGGMERJROPX-GARJFASQSA-N 1 1 299.798 3.052 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)c1O ZINC000783737019 628743808 /nfs/dbraw/zinc/74/38/08/628743808.db2.gz IDYZGGMERJROPX-GARJFASQSA-N 1 1 299.798 3.052 20 10 CGCDMO CC1(C)C[N@@H+](Cc2cc(F)ccc2O)CC2(CCCC2)O1 ZINC000785989161 628905448 /nfs/dbraw/zinc/90/54/48/628905448.db2.gz SQLOQPSAONDEAN-UHFFFAOYSA-N 1 1 293.382 3.455 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@]2(C)CO)cc1F ZINC000789557448 629145071 /nfs/dbraw/zinc/14/50/71/629145071.db2.gz HTXSOAFEJMBZPD-QGZVFWFLSA-N 1 1 294.414 3.019 20 10 CGCDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000789593153 629149271 /nfs/dbraw/zinc/14/92/71/629149271.db2.gz NMRJWNFWOKKDSW-MRXNPFEDSA-N 1 1 297.826 3.419 20 10 CGCDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000789593151 629149486 /nfs/dbraw/zinc/14/94/86/629149486.db2.gz NMRJWNFWOKKDSW-INIZCTEOSA-N 1 1 297.826 3.419 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000125512389 634715522 /nfs/dbraw/zinc/71/55/22/634715522.db2.gz QABUBOYMEHCACL-SFHVURJKSA-N 1 1 288.435 3.288 20 10 CGCDMO COCCC(C)(C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790970388 629244413 /nfs/dbraw/zinc/24/44/13/629244413.db2.gz HMLSEQFPFVZMMQ-UHFFFAOYSA-N 1 1 275.751 3.089 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)[C@H](C)C1 ZINC000862353850 629347499 /nfs/dbraw/zinc/34/74/99/629347499.db2.gz CAGIPUNHJGFAST-YPMHNXCESA-N 1 1 298.377 3.030 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1Cl ZINC000862482555 629386549 /nfs/dbraw/zinc/38/65/49/629386549.db2.gz JNPCHUYZNUJEBX-ZDUSSCGKSA-N 1 1 296.842 3.176 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1Cl ZINC000862482555 629386554 /nfs/dbraw/zinc/38/65/54/629386554.db2.gz JNPCHUYZNUJEBX-ZDUSSCGKSA-N 1 1 296.842 3.176 20 10 CGCDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cc(Br)ccc1O ZINC000793219946 629430596 /nfs/dbraw/zinc/43/05/96/629430596.db2.gz ILTYPCUGJKZCBW-DTORHVGOSA-N 1 1 270.170 3.137 20 10 CGCDMO COCCC1([NH2+]Cc2c(O)ccc(Cl)c2F)CCC1 ZINC000793330411 629444075 /nfs/dbraw/zinc/44/40/75/629444075.db2.gz YEXZNISPEJFVJM-UHFFFAOYSA-N 1 1 287.762 3.234 20 10 CGCDMO C[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1ccc(F)cc1O ZINC000793575187 629486226 /nfs/dbraw/zinc/48/62/26/629486226.db2.gz UXZIOPCRWDZTGI-NSHDSACASA-N 1 1 299.349 3.301 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCCCC[C@H]2CCO)cc1C ZINC000793607897 629490154 /nfs/dbraw/zinc/49/01/54/629490154.db2.gz FPHUKZBRSMVRMJ-INIZCTEOSA-N 1 1 277.408 3.136 20 10 CGCDMO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000864054543 629748180 /nfs/dbraw/zinc/74/81/80/629748180.db2.gz URRKRUCOJSNPLX-DGCLKSJQSA-N 1 1 298.377 3.030 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H]2CSC[C@@H]2C)c1O ZINC000796403458 629776894 /nfs/dbraw/zinc/77/68/94/629776894.db2.gz RAHHJPMDTQWCNI-SDBXPKJASA-N 1 1 299.823 3.089 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H](O)CCC(C)C ZINC000796444709 629781665 /nfs/dbraw/zinc/78/16/65/629781665.db2.gz HYKBBWXCDMNABJ-MRXNPFEDSA-N 1 1 279.424 3.401 20 10 CGCDMO CC[C@@H]([NH2+]CCN1CCC(C)CC1)c1ccc(F)cc1O ZINC000796697059 629815904 /nfs/dbraw/zinc/81/59/04/629815904.db2.gz WHLSVSFWYLNSPY-MRXNPFEDSA-N 1 1 294.414 3.304 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)CN1CCCCC1)c1ccc(F)cc1O ZINC000796698190 629816728 /nfs/dbraw/zinc/81/67/28/629816728.db2.gz WQUUWPRRAMDZJD-CJNGLKHVSA-N 1 1 294.414 3.446 20 10 CGCDMO CC[C@@H]([NH2+]CCOc1cccnc1)c1ccc(F)cc1O ZINC000796758503 629827240 /nfs/dbraw/zinc/82/72/40/629827240.db2.gz CQXGFYPFDXHXEY-OAHLLOKOSA-N 1 1 290.338 3.046 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](COC)C(C)C)c1ccc(F)cc1O ZINC000796789534 629835211 /nfs/dbraw/zinc/83/52/11/629835211.db2.gz VFKJXQOGAKPLBE-KGLIPLIRSA-N 1 1 269.360 3.243 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H](C)CCO)c1cccc(C(F)(F)F)c1O ZINC000798184610 630031740 /nfs/dbraw/zinc/03/17/40/630031740.db2.gz YVECWROBDSGSGF-VHSXEESVSA-N 1 1 291.313 3.080 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c(O)c1 ZINC000798965586 630132181 /nfs/dbraw/zinc/13/21/81/630132181.db2.gz UWMMEZIWGNJLNO-CQSZACIVSA-N 1 1 298.386 3.175 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH2+]CC(C)(C)F)c1 ZINC000865652424 630254773 /nfs/dbraw/zinc/25/47/73/630254773.db2.gz BDLSHLGOBGSSDP-UHFFFAOYSA-N 1 1 290.176 3.301 20 10 CGCDMO CCCC[N@@H+](CCN1CCCC1)Cc1ccccc1O ZINC000801596934 630346394 /nfs/dbraw/zinc/34/63/94/630346394.db2.gz ULFGESABDDJCCS-UHFFFAOYSA-N 1 1 276.424 3.090 20 10 CGCDMO CCCCN(CC[NH+]1CCCC1)Cc1ccccc1O ZINC000801596934 630346398 /nfs/dbraw/zinc/34/63/98/630346398.db2.gz ULFGESABDDJCCS-UHFFFAOYSA-N 1 1 276.424 3.090 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@](C)(F)C2)c1O ZINC000840098639 630592599 /nfs/dbraw/zinc/59/25/99/630592599.db2.gz DSOAWFFCHDXJGD-OAHLLOKOSA-N 1 1 267.344 3.033 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)CC1(C)C ZINC000840125813 630607865 /nfs/dbraw/zinc/60/78/65/630607865.db2.gz IZPIZGOKMBLGMQ-KRWDZBQOSA-N 1 1 289.419 3.128 20 10 CGCDMO Cc1cc(O)c(C[NH2+][C@@H]2CCCC2(F)F)cc1C ZINC000808431099 630644164 /nfs/dbraw/zinc/64/41/64/630644164.db2.gz DHPNZDFGWZCDQZ-CYBMUJFWSA-N 1 1 255.308 3.286 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000840141492 630657214 /nfs/dbraw/zinc/65/72/14/630657214.db2.gz PZDRQIFYZAZJTE-QGZVFWFLSA-N 1 1 275.392 3.012 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000809728771 630793317 /nfs/dbraw/zinc/79/33/17/630793317.db2.gz HKHDJHMVMXPSNA-OAHLLOKOSA-N 1 1 272.323 3.263 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000809728523 630793423 /nfs/dbraw/zinc/79/34/23/630793423.db2.gz AJZFPVZJMRZZKD-MRXNPFEDSA-N 1 1 268.360 3.433 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000809728567 630793986 /nfs/dbraw/zinc/79/39/86/630793986.db2.gz BRUDWMMKQZQOTL-OAHLLOKOSA-N 1 1 254.333 3.124 20 10 CGCDMO CC[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCOC1 ZINC000812780678 631307222 /nfs/dbraw/zinc/30/72/22/631307222.db2.gz NJCVTFHNFHTFDS-SFHVURJKSA-N 1 1 288.435 3.288 20 10 CGCDMO Cc1cc(C[N@@H+](CCO)Cc2ccccc2)ccc1N(C)C ZINC000815037519 631706310 /nfs/dbraw/zinc/70/63/10/631706310.db2.gz NKGPXJAHKNRHKI-UHFFFAOYSA-N 1 1 298.430 3.056 20 10 CGCDMO Cc1cc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)ccc1N(C)C ZINC000815050641 631707316 /nfs/dbraw/zinc/70/73/16/631707316.db2.gz DKDKCNBTPMEGIM-KBPBESRZSA-N 1 1 278.465 3.387 20 10 CGCDMO CSC[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815061725 631709133 /nfs/dbraw/zinc/70/91/33/631709133.db2.gz FVYGLSZSEDKLSH-HNNXBMFYSA-N 1 1 278.465 3.388 20 10 CGCDMO Cc1cc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)ccc1N(C)C ZINC000815102208 631717548 /nfs/dbraw/zinc/71/75/48/631717548.db2.gz HEPMETZQIIASQG-KSSFIOAISA-N 1 1 288.435 3.060 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@H]2C[C@H](C)O)cc1 ZINC000815103333 631717634 /nfs/dbraw/zinc/71/76/34/631717634.db2.gz PCVFGQMABQTBGO-YJBOKZPZSA-N 1 1 290.451 3.268 20 10 CGCDMO C[C@@H]([NH2+]CCCF)c1cccc(C(F)(F)F)c1O ZINC000815597283 631803492 /nfs/dbraw/zinc/80/34/92/631803492.db2.gz RLCQCARCVGNZSE-MRVPVSSYSA-N 1 1 265.250 3.421 20 10 CGCDMO COCC1([NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000815608037 631805420 /nfs/dbraw/zinc/80/54/20/631805420.db2.gz PAFWZUVXMJQYNI-SECBINFHSA-N 1 1 289.297 3.241 20 10 CGCDMO Oc1c(C[N@H+]2CCO[C@@H](C3CC3)C2)ccc2ccccc21 ZINC000816574175 632016389 /nfs/dbraw/zinc/01/63/89/632016389.db2.gz ZENTZYBXKGDOCC-QGZVFWFLSA-N 1 1 283.371 3.156 20 10 CGCDMO [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000816603250 632020602 /nfs/dbraw/zinc/02/06/02/632020602.db2.gz DDWQMLSIVDXXGU-OAHLLOKOSA-N 1 1 299.773 3.187 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000816603250 632020604 /nfs/dbraw/zinc/02/06/04/632020604.db2.gz DDWQMLSIVDXXGU-OAHLLOKOSA-N 1 1 299.773 3.187 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000816603250 632020616 /nfs/dbraw/zinc/02/06/16/632020616.db2.gz DDWQMLSIVDXXGU-OAHLLOKOSA-N 1 1 299.773 3.187 20 10 CGCDMO CN(CC[N@@H+](C)Cc1ccc2ccccc2c1O)C1CC1 ZINC000816611024 632022763 /nfs/dbraw/zinc/02/27/63/632022763.db2.gz GGOANBOOOZJCNR-UHFFFAOYSA-N 1 1 284.403 3.071 20 10 CGCDMO CN(CC[N@H+](C)C1CC1)Cc1ccc2ccccc2c1O ZINC000816611024 632022769 /nfs/dbraw/zinc/02/27/69/632022769.db2.gz GGOANBOOOZJCNR-UHFFFAOYSA-N 1 1 284.403 3.071 20 10 CGCDMO CN(CC[N@@H+](C)C1CC1)Cc1ccc2ccccc2c1O ZINC000816611024 632022778 /nfs/dbraw/zinc/02/27/78/632022778.db2.gz GGOANBOOOZJCNR-UHFFFAOYSA-N 1 1 284.403 3.071 20 10 CGCDMO CC[N@H+](Cc1ccc2ccccc2c1O)C[C@H](C)OC ZINC000816617383 632024076 /nfs/dbraw/zinc/02/40/76/632024076.db2.gz XKTLECLCGGEMFO-ZDUSSCGKSA-N 1 1 273.376 3.402 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](CC)O[C@@H](CC)C2)c1 ZINC000817413513 632143529 /nfs/dbraw/zinc/14/35/29/632143529.db2.gz YRDPEGUYBAIFJB-GASCZTMLSA-N 1 1 293.407 3.180 20 10 CGCDMO Cc1ccc([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)o1 ZINC000817938686 632239149 /nfs/dbraw/zinc/23/91/49/632239149.db2.gz PUWDELWFIJWUSM-BBRMVZONSA-N 1 1 287.407 3.005 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc2ccccc2c1[O-] ZINC000817946576 632243469 /nfs/dbraw/zinc/24/34/69/632243469.db2.gz ZWSXDKJARHGZKT-KBPBESRZSA-N 1 1 284.403 3.196 20 10 CGCDMO C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817948342 632245908 /nfs/dbraw/zinc/24/59/08/632245908.db2.gz YFEWNZIYISPAFW-SRVKXCTJSA-N 1 1 282.815 3.084 20 10 CGCDMO CCN(C)c1ccc([C@H](C)NCCC[NH2+]C(C)C)cc1 ZINC000817954567 632249491 /nfs/dbraw/zinc/24/94/91/632249491.db2.gz YXCXDIVOYNUHQO-HNNXBMFYSA-N 1 1 277.456 3.181 20 10 CGCDMO C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817958240 632253598 /nfs/dbraw/zinc/25/35/98/632253598.db2.gz UKYFZCSKPRKOAW-VXGBXAGGSA-N 1 1 282.815 3.086 20 10 CGCDMO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])c2c1c(F)ccc2[O-] ZINC000817959055 632254473 /nfs/dbraw/zinc/25/44/73/632254473.db2.gz AYAJKHWYGKFOAI-RFHZTLPTSA-N 1 1 292.398 3.187 20 10 CGCDMO C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817960747 632256473 /nfs/dbraw/zinc/25/64/73/632256473.db2.gz QYQCWMGZYZLLRM-MADCSZMMSA-N 1 1 289.206 3.087 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)C[NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000817970164 632262751 /nfs/dbraw/zinc/26/27/51/632262751.db2.gz MUSFFHKDYWESGW-CPCISQLKSA-N 1 1 277.195 3.087 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc2ccccc2c1[O-] ZINC000817976555 632267358 /nfs/dbraw/zinc/26/73/58/632267358.db2.gz NJCQPRCPHSOKJK-SUMWQHHRSA-N 1 1 296.414 3.338 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc(Cl)ccc1[O-] ZINC000817985477 632274319 /nfs/dbraw/zinc/27/43/19/632274319.db2.gz KLULDKOPATXMAX-YPMHNXCESA-N 1 1 294.826 3.371 20 10 CGCDMO CC[C@H]([NH2+]CCC[NH2+]C1CC1)c1cc(Cl)ccc1[O-] ZINC000817984610 632274539 /nfs/dbraw/zinc/27/45/39/632274539.db2.gz VOSPDDBPIHQQBU-AWEZNQCLSA-N 1 1 282.815 3.228 20 10 CGCDMO C[C@@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N(C)C)cc1 ZINC000817987157 632275867 /nfs/dbraw/zinc/27/58/67/632275867.db2.gz WTZFXDDKDTVAQT-ZBFHGGJFSA-N 1 1 287.451 3.078 20 10 CGCDMO CC[C@@H]([NH2+]Cc1ccnc(F)c1)c1ccc(F)cc1O ZINC000866473857 633149300 /nfs/dbraw/zinc/14/93/00/633149300.db2.gz JDKAUMLEPIVDGI-CYBMUJFWSA-N 1 1 278.302 3.306 20 10 CGCDMO CCC[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)OC ZINC000824543837 633257301 /nfs/dbraw/zinc/25/73/01/633257301.db2.gz QJLIQUWKLMLEIB-JTQLQIEISA-N 1 1 275.751 3.089 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1Cl ZINC000824555532 633259607 /nfs/dbraw/zinc/25/96/07/633259607.db2.gz HAWKAFRIERCAJQ-LBPRGKRZSA-N 1 1 295.810 3.355 20 10 CGCDMO CC[C@@](C)(C[NH2+]Cc1cc(Cl)c(F)cc1O)OC ZINC000824743438 633281979 /nfs/dbraw/zinc/28/19/79/633281979.db2.gz BXDIWPDGLWDHPY-ZDUSSCGKSA-N 1 1 275.751 3.089 20 10 CGCDMO COC[C@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824782730 633289087 /nfs/dbraw/zinc/28/90/87/633289087.db2.gz LYXLEVKIHMPHMF-LBPRGKRZSA-N 1 1 283.799 3.212 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCSC[C@H]2C2CC2)cc1F ZINC000824914798 633304657 /nfs/dbraw/zinc/30/46/57/633304657.db2.gz ZMSAYIAZGSGAQH-INIZCTEOSA-N 1 1 294.439 3.219 20 10 CGCDMO CCn1cc([C@H](C)[NH2+]Cc2c(O)ccc(Cl)c2F)cn1 ZINC000825130161 633331330 /nfs/dbraw/zinc/33/13/30/633331330.db2.gz OHNZOOKALRHVEF-VIFPVBQESA-N 1 1 297.761 3.252 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000825215258 633336349 /nfs/dbraw/zinc/33/63/49/633336349.db2.gz JFVGHCVBELQWSU-MRXNPFEDSA-N 1 1 293.432 3.120 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2ccccn2)cc1Cl ZINC000825500608 633358113 /nfs/dbraw/zinc/35/81/13/633358113.db2.gz FKOMRKHFPYHDLX-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO Cc1nnc([C@H](C)[NH2+]Cc2cc(Cl)c(C)cc2O)s1 ZINC000825515258 633360662 /nfs/dbraw/zinc/36/06/62/633360662.db2.gz ZOXIMTXRGHSPDH-QMMMGPOBSA-N 1 1 297.811 3.365 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2O)C[C@H]1C ZINC000826063017 633401431 /nfs/dbraw/zinc/40/14/31/633401431.db2.gz ZTPJZCJQADSTEV-IAQYHMDHSA-N 1 1 283.799 3.211 20 10 CGCDMO CCOc1ccc(NCc2cccc(C)c2O)[nH+]c1C ZINC000827729836 633512943 /nfs/dbraw/zinc/51/29/43/633512943.db2.gz ZCOXUYZSACMHRH-UHFFFAOYSA-N 1 1 272.348 3.415 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000829523238 633746626 /nfs/dbraw/zinc/74/66/26/633746626.db2.gz URHYDKUXUOPQST-KRWDZBQOSA-N 1 1 281.403 3.137 20 10 CGCDMO CCC[C@H](C)[C@H](CO)[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000846185334 636155526 /nfs/dbraw/zinc/15/55/26/636155526.db2.gz UVBWNDIFTHSWKZ-CQDKDKBSSA-N 1 1 283.387 3.369 20 10 CGCDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000832620704 634075561 /nfs/dbraw/zinc/07/55/61/634075561.db2.gz LIXHWCAIPXETPQ-INIZCTEOSA-N 1 1 276.424 3.062 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccc(F)cc1O ZINC000834877092 634263449 /nfs/dbraw/zinc/26/34/49/634263449.db2.gz XWFQUFWTRFLKNZ-GWCFXTLKSA-N 1 1 269.360 3.122 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000873156267 634264001 /nfs/dbraw/zinc/26/40/01/634264001.db2.gz KDXRGXWJPBMMMD-ISTVAULSSA-N 1 1 299.773 3.232 20 10 CGCDMO CCc1ncc(C[NH2+][C@H](CC)c2ccc(F)cc2O)o1 ZINC000834899641 634276440 /nfs/dbraw/zinc/27/64/40/634276440.db2.gz LGFJBWXVQJHKOQ-CYBMUJFWSA-N 1 1 278.327 3.323 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+]2CCOCC23CCC3)cc1 ZINC000835025891 634324385 /nfs/dbraw/zinc/32/43/85/634324385.db2.gz MMWIVSYWCJPKHB-HYXAFXHYSA-N 1 1 286.419 3.021 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCOCC23CCC3)cc1 ZINC000835025891 634324387 /nfs/dbraw/zinc/32/43/87/634324387.db2.gz MMWIVSYWCJPKHB-HYXAFXHYSA-N 1 1 286.419 3.021 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCCOC(C)(C)C2)cc1 ZINC000835025100 634324664 /nfs/dbraw/zinc/32/46/64/634324664.db2.gz DYXFHKICPBWDGS-FNORWQNLSA-N 1 1 288.435 3.267 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)CCOCC2CC2)cc1 ZINC000835027418 634325541 /nfs/dbraw/zinc/32/55/41/634325541.db2.gz DJFLMMSULCBXFW-SNAWJCMRSA-N 1 1 288.435 3.124 20 10 CGCDMO CC[NH+](CC)CCCNC/C=C\c1ccc(N(C)C)cc1 ZINC000835043322 634330281 /nfs/dbraw/zinc/33/02/81/634330281.db2.gz SPBCDTVGOFHGRW-CLFYSBASSA-N 1 1 289.467 3.087 20 10 CGCDMO Cc1cc(C[C@@H](C)[NH2+]C/C=C\c2ccc(N(C)C)cc2)n[nH]1 ZINC000835043915 634331506 /nfs/dbraw/zinc/33/15/06/634331506.db2.gz VZVHQXVRRFTVQR-GEXIGZQTSA-N 1 1 298.434 3.018 20 10 CGCDMO CC[C@@]1(CO)CCC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835046762 634333235 /nfs/dbraw/zinc/33/32/35/634333235.db2.gz ZMSCMWTYIRYDFC-YEODSOHDSA-N 1 1 288.435 3.003 20 10 CGCDMO CCC(C)(C)[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876718911 634885385 /nfs/dbraw/zinc/88/53/85/634885385.db2.gz YLWYTYYDWOMUIS-UHFFFAOYSA-N 1 1 290.451 3.268 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)c(O)c1 ZINC000877140106 635000172 /nfs/dbraw/zinc/00/01/72/635000172.db2.gz NAHWLGRAVDQPOX-MRXNPFEDSA-N 1 1 275.392 3.092 20 10 CGCDMO Cc1cc(O)c(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000840917890 635082503 /nfs/dbraw/zinc/08/25/03/635082503.db2.gz UYYBOCHBBLOOFP-OLZOCXBDSA-N 1 1 296.842 3.269 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840936042 635085738 /nfs/dbraw/zinc/08/57/38/635085738.db2.gz DMWSKPOEOXZGBE-GFCCVEGCSA-N 1 1 283.799 3.355 20 10 CGCDMO CC[C@@]1(CO)CCC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840940185 635086776 /nfs/dbraw/zinc/08/67/76/635086776.db2.gz VUAWHMQYKSJHDM-MRXNPFEDSA-N 1 1 297.826 3.339 20 10 CGCDMO COc1cccc(C[N@H+]2CCSC3(CCC3)CC2)c1O ZINC000840954187 635092018 /nfs/dbraw/zinc/09/20/18/635092018.db2.gz DSNFBDFILPHFEN-UHFFFAOYSA-N 1 1 293.432 3.262 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000840955588 635093153 /nfs/dbraw/zinc/09/31/53/635093153.db2.gz WGFCLRIMDNCCSY-OAHLLOKOSA-N 1 1 281.783 3.047 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000840955588 635093154 /nfs/dbraw/zinc/09/31/54/635093154.db2.gz WGFCLRIMDNCCSY-OAHLLOKOSA-N 1 1 281.783 3.047 20 10 CGCDMO C[C@@H]1C[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2O)[C@@H](C)O1 ZINC000840964930 635094774 /nfs/dbraw/zinc/09/47/74/635094774.db2.gz YHGZVLLDJAEAPW-BBBLOLIVSA-N 1 1 287.762 3.088 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](C3CCC3)C2)c1 ZINC000840977721 635099259 /nfs/dbraw/zinc/09/92/59/635099259.db2.gz KAUIAYXWYQYJKO-ZDUSSCGKSA-N 1 1 261.365 3.023 20 10 CGCDMO COc1ccc(CC[C@H](C)[NH2+]c2ccc(N)cc2)cc1O ZINC000841040366 635112238 /nfs/dbraw/zinc/11/22/38/635112238.db2.gz KYVNOTIDMWPIGR-LBPRGKRZSA-N 1 1 286.375 3.416 20 10 CGCDMO Cc1ccc(C[N@H+]2Cc3cnn(C)c3CC(C)(C)C2)c(O)c1 ZINC000877643656 635128870 /nfs/dbraw/zinc/12/88/70/635128870.db2.gz MFSGLHTYZVECNB-UHFFFAOYSA-N 1 1 299.418 3.019 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000877812586 635218545 /nfs/dbraw/zinc/21/85/45/635218545.db2.gz QYEPWXIGJHGPHV-CYBMUJFWSA-N 1 1 273.298 3.475 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccc(Cl)cc1O ZINC000841743842 635221984 /nfs/dbraw/zinc/22/19/84/635221984.db2.gz CIEUGSLXFWZFAH-CQDKDKBSSA-N 1 1 294.826 3.323 20 10 CGCDMO C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841748655 635224194 /nfs/dbraw/zinc/22/41/94/635224194.db2.gz XYIAAYIIDSGEBO-QWRGUYRKSA-N 1 1 291.782 3.117 20 10 CGCDMO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2O)[nH]n1 ZINC000841752301 635225040 /nfs/dbraw/zinc/22/50/40/635225040.db2.gz SJUMCOKQHAKFRT-GXSJLCMTSA-N 1 1 293.798 3.359 20 10 CGCDMO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2O)n[nH]1 ZINC000841752301 635225047 /nfs/dbraw/zinc/22/50/47/635225047.db2.gz SJUMCOKQHAKFRT-GXSJLCMTSA-N 1 1 293.798 3.359 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1ccc(Cl)cc1O ZINC000841753471 635227696 /nfs/dbraw/zinc/22/76/96/635227696.db2.gz UIIKIFDYRSUSPC-MJVIPROJSA-N 1 1 283.799 3.247 20 10 CGCDMO C[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1ccc(Cl)cc1O ZINC000841756730 635229802 /nfs/dbraw/zinc/22/98/02/635229802.db2.gz JOZSLPPDOFVDOU-AUTRQRHGSA-N 1 1 271.813 3.448 20 10 CGCDMO C[C@H]([NH2+][C@@H]1COCc2ccccc21)c1ccc(F)cc1O ZINC000841758423 635231331 /nfs/dbraw/zinc/23/13/31/635231331.db2.gz AUNIRQQBCSGTSA-MEDUHNTESA-N 1 1 287.334 3.453 20 10 CGCDMO Oc1ccccc1C[N@H+](Cc1ccco1)CC1CC1 ZINC000126955883 635393262 /nfs/dbraw/zinc/39/32/62/635393262.db2.gz ZLCFCJJDCUWUFI-UHFFFAOYSA-N 1 1 257.333 3.397 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](CO)C[C@@H](C)CC)c1ccc(F)cc1O ZINC000842919852 635511636 /nfs/dbraw/zinc/51/16/36/635511636.db2.gz ZEQQAUOKDZQRAY-NJZAAPMLSA-N 1 1 283.387 3.369 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000878876872 635648769 /nfs/dbraw/zinc/64/87/69/635648769.db2.gz WLIGYBFHPNWXHY-KRWDZBQOSA-N 1 1 284.407 3.203 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000843416970 635663241 /nfs/dbraw/zinc/66/32/41/635663241.db2.gz NBCGWCZJCVLGHF-SWLSCSKDSA-N 1 1 295.810 3.437 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000843428864 635672358 /nfs/dbraw/zinc/67/23/58/635672358.db2.gz OCAKRNSCZPJZSH-AWEZNQCLSA-N 1 1 281.783 3.047 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000843428864 635672363 /nfs/dbraw/zinc/67/23/63/635672363.db2.gz OCAKRNSCZPJZSH-AWEZNQCLSA-N 1 1 281.783 3.047 20 10 CGCDMO Cc1cccc(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)c1O ZINC000843431880 635674842 /nfs/dbraw/zinc/67/48/42/635674842.db2.gz MDJQXVMJOWTZTB-CQSZACIVSA-N 1 1 275.392 3.092 20 10 CGCDMO CC(C)c1cnc(C[NH2+][C@@H](C)c2ccccc2O)o1 ZINC000879651036 635827904 /nfs/dbraw/zinc/82/79/04/635827904.db2.gz FHZOPYWRKUEJAZ-NSHDSACASA-N 1 1 260.337 3.354 20 10 CGCDMO Cc1ccc[nH+]c1NCc1ccc(N(C)C)c(F)c1 ZINC000130999052 636541082 /nfs/dbraw/zinc/54/10/82/636541082.db2.gz BIRDYAIWNHTJFN-UHFFFAOYSA-N 1 1 259.328 3.207 20 10 CGCDMO COc1c(C)cccc1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000883161828 636560211 /nfs/dbraw/zinc/56/02/11/636560211.db2.gz CADBUJZJBQHXCT-UHFFFAOYSA-N 1 1 293.313 3.277 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1O ZINC000848882199 636671574 /nfs/dbraw/zinc/67/15/74/636671574.db2.gz MVUDWVXDSBOPLN-HNNXBMFYSA-N 1 1 285.391 3.057 20 10 CGCDMO CCc1cccc(C[N@@H+](CCOC)C2CCCC2)c1O ZINC000848882467 636672007 /nfs/dbraw/zinc/67/20/07/636672007.db2.gz QHRKNILRUFHCSB-UHFFFAOYSA-N 1 1 277.408 3.346 20 10 CGCDMO CCc1cccc(C[N@H+]2CCCC3(CCOCC3)C2)c1O ZINC000848887208 636674729 /nfs/dbraw/zinc/67/47/29/636674729.db2.gz QJMWAJKOXZFYDK-UHFFFAOYSA-N 1 1 289.419 3.347 20 10 CGCDMO CCc1cccc(C[N@@H+](C)CCC2CCOCC2)c1O ZINC000848887888 636675986 /nfs/dbraw/zinc/67/59/86/636675986.db2.gz HFPAAALRBRTIAK-UHFFFAOYSA-N 1 1 277.408 3.203 20 10 CGCDMO CCc1cccc(C[N@@H+](C)[C@H]2CCN(CC)C[C@@H]2C)c1O ZINC000848888787 636676550 /nfs/dbraw/zinc/67/65/50/636676550.db2.gz ZILIFZRUXFZPNY-YOEHRIQHSA-N 1 1 290.451 3.117 20 10 CGCDMO CCc1cccc(C[N@H+](C)[C@H]2CCN(CC)C[C@@H]2C)c1O ZINC000848888787 636676552 /nfs/dbraw/zinc/67/65/52/636676552.db2.gz ZILIFZRUXFZPNY-YOEHRIQHSA-N 1 1 290.451 3.117 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c1O ZINC000848913169 636687726 /nfs/dbraw/zinc/68/77/26/636687726.db2.gz QBAGFZCWNXKCMT-NSHDSACASA-N 1 1 269.335 3.432 20 10 CGCDMO CCc1cccc(CNCCC[N@H+](C)CC(C)C)c1O ZINC000848919442 636691394 /nfs/dbraw/zinc/69/13/94/636691394.db2.gz LDHBAJHUAAEPOE-UHFFFAOYSA-N 1 1 278.440 3.022 20 10 CGCDMO CCc1cccc(CNCCC[N@@H+](C)CC(C)C)c1O ZINC000848919442 636691397 /nfs/dbraw/zinc/69/13/97/636691397.db2.gz LDHBAJHUAAEPOE-UHFFFAOYSA-N 1 1 278.440 3.022 20 10 CGCDMO COC[C@@H](C)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000131905353 636763863 /nfs/dbraw/zinc/76/38/63/636763863.db2.gz MBBCMVHRCGUXGT-INIZCTEOSA-N 1 1 290.451 3.391 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000132468146 636810098 /nfs/dbraw/zinc/81/00/98/636810098.db2.gz WNXGJPFCBSRLKF-SNVBAGLBSA-N 1 1 284.197 3.387 20 10 CGCDMO C[C@@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000132468146 636810106 /nfs/dbraw/zinc/81/01/06/636810106.db2.gz WNXGJPFCBSRLKF-SNVBAGLBSA-N 1 1 284.197 3.387 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000132468146 636810114 /nfs/dbraw/zinc/81/01/14/636810114.db2.gz WNXGJPFCBSRLKF-SNVBAGLBSA-N 1 1 284.197 3.387 20 10 CGCDMO CC(C)C[N@@H+](CCN(C)C)Cc1cc(Cl)ccc1O ZINC000132542798 636818212 /nfs/dbraw/zinc/81/82/12/636818212.db2.gz GRXZSQRUMYFWDW-UHFFFAOYSA-N 1 1 284.831 3.065 20 10 CGCDMO C[N@H+]1CCC[C@H]1CCSc1ncc(Cl)s1 ZINC000850000309 636925278 /nfs/dbraw/zinc/92/52/78/636925278.db2.gz PYTDNKIMJDHDHB-QMMMGPOBSA-N 1 1 262.831 3.373 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)C1CC1 ZINC000850541328 637115108 /nfs/dbraw/zinc/11/51/08/637115108.db2.gz YREYIWXAMYGAMD-HZMBPMFUSA-N 1 1 277.364 3.018 20 10 CGCDMO C[C@H]([NH2+]C[C@H](CO)CC1CC1)c1ccc(Cl)cc1O ZINC000850546579 637116799 /nfs/dbraw/zinc/11/67/99/637116799.db2.gz MWRNYQKVERNWRZ-CMPLNLGQSA-N 1 1 283.799 3.105 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@H]1CCC2(CCC2)CO1 ZINC000886065112 637397391 /nfs/dbraw/zinc/39/73/91/637397391.db2.gz PVEZRLHXPXYMOD-OAHLLOKOSA-N 1 1 275.392 3.173 20 10 CGCDMO Cc1csc(CC[NH2+][C@H](C)c2c(O)cccc2F)n1 ZINC000886501445 637543960 /nfs/dbraw/zinc/54/39/60/637543960.db2.gz KYKDRLJCTIBWBG-SNVBAGLBSA-N 1 1 280.368 3.190 20 10 CGCDMO C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1c(O)cccc1F ZINC000886508578 637546009 /nfs/dbraw/zinc/54/60/09/637546009.db2.gz FNZVIUSJRUPNHP-BMIGLBTASA-N 1 1 293.313 3.055 20 10 CGCDMO C[C@H](O)c1ccc(C[NH2+][C@@H](C)c2c(O)cccc2F)cc1 ZINC000886510863 637546583 /nfs/dbraw/zinc/54/65/83/637546583.db2.gz BGWDCQKJNXORGY-RYUDHWBXSA-N 1 1 289.350 3.435 20 10 CGCDMO CCOC1CC(CC[NH2+][C@H](C)c2c(O)cccc2F)C1 ZINC000886599012 637598855 /nfs/dbraw/zinc/59/88/55/637598855.db2.gz PDQAICROBDABON-PNESKVBLSA-N 1 1 281.371 3.387 20 10 CGCDMO CSC1(C[NH2+][C@@H](C)c2c(O)cccc2F)CC1 ZINC000886602942 637600512 /nfs/dbraw/zinc/60/05/12/637600512.db2.gz CUSAHPUECKYBPM-VIFPVBQESA-N 1 1 255.358 3.078 20 10 CGCDMO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1c(O)cccc1F ZINC000886610461 637603107 /nfs/dbraw/zinc/60/31/07/637603107.db2.gz BRLHRVAOQOBUMS-NVGCLXPQSA-N 1 1 289.350 3.304 20 10 CGCDMO C[C@H]([NH2+][C@@H]1COCc2ccccc21)c1c(O)cccc1F ZINC000886626709 637616279 /nfs/dbraw/zinc/61/62/79/637616279.db2.gz JCTRYJMQKYYCEG-XHDPSFHLSA-N 1 1 287.334 3.453 20 10 CGCDMO C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1c(O)cccc1F ZINC000886638497 637623102 /nfs/dbraw/zinc/62/31/02/637623102.db2.gz WARDXTGCRQJDCW-UFBFGSQYSA-N 1 1 259.271 3.227 20 10 CGCDMO C[C@@H]([NH2+]CC[C@H]1CC(C)(C)CO1)c1c(O)cccc1F ZINC000886720316 637673446 /nfs/dbraw/zinc/67/34/46/637673446.db2.gz ZTABLBBFFNXIFA-NEPJUHHUSA-N 1 1 281.371 3.387 20 10 CGCDMO CC[C@@H](c1ccccc1O)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925753438 638596597 /nfs/dbraw/zinc/59/65/97/638596597.db2.gz HKATVWFJLMAQHQ-INIZCTEOSA-N 1 1 298.386 3.320 20 10 CGCDMO Cc1cccc(NCc2cc(F)c(N(C)C)cc2F)[nH+]1 ZINC000858101350 638628222 /nfs/dbraw/zinc/62/82/22/638628222.db2.gz LVDNMLJNXGNUQA-UHFFFAOYSA-N 1 1 277.318 3.346 20 10 CGCDMO CCN(C)c1ccc(C[NH2+][C@@H](c2ncccn2)C2CC2)cc1 ZINC000932355762 639320698 /nfs/dbraw/zinc/32/06/98/639320698.db2.gz ZKRXOQHLTIIHPL-QGZVFWFLSA-N 1 1 296.418 3.174 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCSCC[C@@H]2C)cc1C ZINC000189916895 640212320 /nfs/dbraw/zinc/21/23/20/640212320.db2.gz WLGGFZPSHYYOMU-ZDUSSCGKSA-N 1 1 265.422 3.336 20 10 CGCDMO Cc1cc(C[N@H+]2CCO[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000192595963 640390169 /nfs/dbraw/zinc/39/01/69/640390169.db2.gz KHSRJVFNENNROT-CYBMUJFWSA-N 1 1 277.408 3.219 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2ccccc2O)c1F ZINC000192943181 640420659 /nfs/dbraw/zinc/42/06/59/640420659.db2.gz AYIVZCINNMXZHA-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO C[C@@H](c1ccccc1)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000194004997 640506209 /nfs/dbraw/zinc/50/62/09/640506209.db2.gz LXJTXVAILCXWQJ-LBPRGKRZSA-N 1 1 285.343 3.314 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2C[C@H](C)O)cc1 ZINC000245713967 640633585 /nfs/dbraw/zinc/63/35/85/640633585.db2.gz GMSGVDVSQAPTAW-MAUKXSAKSA-N 1 1 290.451 3.268 20 10 CGCDMO CC1(C)C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000091917286 640726465 /nfs/dbraw/zinc/72/64/65/640726465.db2.gz KXDSRRJKVDTVQL-UHFFFAOYSA-N 1 1 288.435 3.288 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@@H](OCC(C)C)C2)c1O ZINC000091964308 640728089 /nfs/dbraw/zinc/72/80/89/640728089.db2.gz OYJKKEXTXUHVNW-OAHLLOKOSA-N 1 1 293.407 3.038 20 10 CGCDMO CC(C)[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](C)O ZINC000093143524 640758197 /nfs/dbraw/zinc/75/81/97/640758197.db2.gz CCCSWOBPZYWKEF-MRXNPFEDSA-N 1 1 290.451 3.268 20 10 CGCDMO CC(C)[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H](C)O ZINC000093143532 640759149 /nfs/dbraw/zinc/75/91/49/640759149.db2.gz CCCSWOBPZYWKEF-INIZCTEOSA-N 1 1 290.451 3.268 20 10 CGCDMO Cc1cc[nH+]c(N(C)Cc2ccc(N(C)C)cc2)c1 ZINC001156920819 805752590 /nfs/dbraw/zinc/75/25/90/805752590.db2.gz GUPUZUIYLTZCAZ-UHFFFAOYSA-N 1 1 255.365 3.092 20 10 CGCDMO CC[C@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000027536688 798843165 /nfs/dbraw/zinc/84/31/65/798843165.db2.gz LBIDLGMOWNHZRC-AWEZNQCLSA-N 1 1 293.407 3.006 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000027536688 798843168 /nfs/dbraw/zinc/84/31/68/798843168.db2.gz LBIDLGMOWNHZRC-AWEZNQCLSA-N 1 1 293.407 3.006 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](C)C2)c1O ZINC000037322640 798866356 /nfs/dbraw/zinc/86/63/56/798866356.db2.gz OYSSWBCZQQORBG-JTQLQIEISA-N 1 1 281.783 3.480 20 10 CGCDMO C[C@@H]([NH2+][C@H](CO)C1CCCCC1)c1ccc(F)cc1O ZINC000395239758 799503943 /nfs/dbraw/zinc/50/39/43/799503943.db2.gz YHUZLWUXORTJGA-IAQYHMDHSA-N 1 1 281.371 3.123 20 10 CGCDMO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCCC1(F)F)CC2 ZINC000397970199 799524226 /nfs/dbraw/zinc/52/42/26/799524226.db2.gz SYFGPHYPLPHLRS-ZYHUDNBSSA-N 1 1 253.292 3.157 20 10 CGCDMO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1cc(N)[nH+]cn1 ZINC001163486159 806769650 /nfs/dbraw/zinc/76/96/50/806769650.db2.gz FBKULYAXKVOGJE-INIZCTEOSA-N 1 1 298.390 3.117 20 10 CGCDMO COc1ccc2c(c1)C[N@H+](Cc1cc(C)ccc1O)C2 ZINC000692920449 799803501 /nfs/dbraw/zinc/80/35/01/799803501.db2.gz ASAQZHPLQFWXJX-UHFFFAOYSA-N 1 1 269.344 3.225 20 10 CGCDMO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)CC(F)F ZINC000697752933 799848914 /nfs/dbraw/zinc/84/89/14/799848914.db2.gz NOUIPNSTIOEZRT-BDAKNGLRSA-N 1 1 261.287 3.473 20 10 CGCDMO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC000700818078 799880188 /nfs/dbraw/zinc/88/01/88/799880188.db2.gz JJJNAWABHYASGL-GJZGRUSLSA-N 1 1 276.424 3.083 20 10 CGCDMO C[C@@H]1[N@H+](Cc2cc(Cl)ccc2O)CCOC1(C)C ZINC000707700843 799978535 /nfs/dbraw/zinc/97/85/35/799978535.db2.gz PNENETKDIKJLHJ-JTQLQIEISA-N 1 1 269.772 3.045 20 10 CGCDMO C[C@@H]1[N@@H+](Cc2cc(Cl)ccc2O)CCOC1(C)C ZINC000707700843 799978537 /nfs/dbraw/zinc/97/85/37/799978537.db2.gz PNENETKDIKJLHJ-JTQLQIEISA-N 1 1 269.772 3.045 20 10 CGCDMO C[C@H](CC(F)(F)F)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708455194 799987878 /nfs/dbraw/zinc/98/78/78/799987878.db2.gz UWKCBYSVOGZYQD-ZCFIWIBFSA-N 1 1 269.213 3.101 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1ccc(F)cc1O ZINC000711470743 800062190 /nfs/dbraw/zinc/06/21/90/800062190.db2.gz DFLHBLRVBBKJLJ-DGCLKSJQSA-N 1 1 279.355 3.284 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1ccns1)c1ccc(F)cc1O ZINC000715997828 800158660 /nfs/dbraw/zinc/15/86/60/800158660.db2.gz LVOGWLNXQUFCFK-BDAKNGLRSA-N 1 1 266.341 3.400 20 10 CGCDMO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc(C3CC3)s2)c1 ZINC000840890499 800501367 /nfs/dbraw/zinc/50/13/67/800501367.db2.gz LMJKVFAJQYVXCQ-SNVBAGLBSA-N 1 1 289.404 3.280 20 10 CGCDMO C[C@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1ccns1 ZINC000886643278 800545718 /nfs/dbraw/zinc/54/57/18/800545718.db2.gz PXHBGOJQTHTYGK-IUCAKERBSA-N 1 1 266.341 3.400 20 10 CGCDMO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2O)C1 ZINC000903128888 800594538 /nfs/dbraw/zinc/59/45/38/800594538.db2.gz NARHVRRCGXLPDX-FOGDFJRCSA-N 1 1 297.782 3.038 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)C[C@@]1(C)CC1(Cl)Cl ZINC001117756523 802488099 /nfs/dbraw/zinc/48/80/99/802488099.db2.gz DVFJYICFPYAQOT-GFCCVEGCSA-N 1 1 274.191 3.408 20 10 CGCDMO CC[N@@H+](Cc1cn2ccccc2n1)Cc1ccccc1O ZINC001136881749 803658572 /nfs/dbraw/zinc/65/85/72/803658572.db2.gz CFCMMKSRYXBIDI-UHFFFAOYSA-N 1 1 281.359 3.062 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1CCCc2ccccc2C1 ZINC001137837585 803780149 /nfs/dbraw/zinc/78/01/49/803780149.db2.gz MQLKDUHHCVTKRR-UHFFFAOYSA-N 1 1 271.335 3.480 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1CCCc2ccccc2C1 ZINC001137837585 803780155 /nfs/dbraw/zinc/78/01/55/803780155.db2.gz MQLKDUHHCVTKRR-UHFFFAOYSA-N 1 1 271.335 3.480 20 10 CGCDMO C[N@@H+](CCC(=O)c1ccccc1)Cc1c([O-])cccc1F ZINC001137839099 803781410 /nfs/dbraw/zinc/78/14/10/803781410.db2.gz RAYQJFJIXVDYOX-UHFFFAOYSA-N 1 1 287.334 3.236 20 10 CGCDMO C[N@H+](CCC(=O)c1ccccc1)Cc1c(O)cccc1F ZINC001137839099 803781415 /nfs/dbraw/zinc/78/14/15/803781415.db2.gz RAYQJFJIXVDYOX-UHFFFAOYSA-N 1 1 287.334 3.236 20 10 CGCDMO C[N@@H+](CCC(=O)c1ccccc1)Cc1c(O)cccc1F ZINC001137839099 803781417 /nfs/dbraw/zinc/78/14/17/803781417.db2.gz RAYQJFJIXVDYOX-UHFFFAOYSA-N 1 1 287.334 3.236 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC001137837816 803781466 /nfs/dbraw/zinc/78/14/66/803781466.db2.gz VRRDEUASQJCJSB-HNNXBMFYSA-N 1 1 272.323 3.263 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC001137837816 803781469 /nfs/dbraw/zinc/78/14/69/803781469.db2.gz VRRDEUASQJCJSB-HNNXBMFYSA-N 1 1 272.323 3.263 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@@H](O)C2)c(C)n1-c1ccccc1 ZINC001137854104 803784305 /nfs/dbraw/zinc/78/43/05/803784305.db2.gz INORWZNPAINJOV-GOSISDBHSA-N 1 1 284.403 3.051 20 10 CGCDMO Cc1cc(C[N@H+]2CCC3(COC3)C2)c(C)n1-c1ccccc1 ZINC001137856165 803785380 /nfs/dbraw/zinc/78/53/80/803785380.db2.gz SEAPBWRZNIDGKF-UHFFFAOYSA-N 1 1 296.414 3.316 20 10 CGCDMO Cc1cc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c(C)n1-c1ccccc1 ZINC001137854316 803785596 /nfs/dbraw/zinc/78/55/96/803785596.db2.gz RCSGIVJIRYJNHQ-WBVHZDCISA-N 1 1 298.430 3.297 20 10 CGCDMO C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCC1=O ZINC001138215542 803874666 /nfs/dbraw/zinc/87/46/66/803874666.db2.gz JGTZKQZVAQQCMX-HNNXBMFYSA-N 1 1 286.419 3.088 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCC1=O ZINC001138215542 803874677 /nfs/dbraw/zinc/87/46/77/803874677.db2.gz JGTZKQZVAQQCMX-HNNXBMFYSA-N 1 1 286.419 3.088 20 10 CGCDMO C[C@@H]1CC(=O)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001138215534 803874725 /nfs/dbraw/zinc/87/47/25/803874725.db2.gz IXDAQRGEHWLEAK-OAHLLOKOSA-N 1 1 286.419 3.230 20 10 CGCDMO C[C@@H]1CC(=O)CC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001138215534 803874733 /nfs/dbraw/zinc/87/47/33/803874733.db2.gz IXDAQRGEHWLEAK-OAHLLOKOSA-N 1 1 286.419 3.230 20 10 CGCDMO CC[N@H+]1CCCN(Cc2c(C)n(C)c3ccccc32)CC1 ZINC001138252951 803882211 /nfs/dbraw/zinc/88/22/11/803882211.db2.gz XZQIULWKDUTGHJ-UHFFFAOYSA-N 1 1 285.435 3.014 20 10 CGCDMO CCN1CCC[N@H+](Cc2c(C)n(C)c3ccccc32)CC1 ZINC001138252951 803882220 /nfs/dbraw/zinc/88/22/20/803882220.db2.gz XZQIULWKDUTGHJ-UHFFFAOYSA-N 1 1 285.435 3.014 20 10 CGCDMO CCN1CCC[N@@H+](Cc2c(C)n(C)c3ccccc32)CC1 ZINC001138252951 803882226 /nfs/dbraw/zinc/88/22/26/803882226.db2.gz XZQIULWKDUTGHJ-UHFFFAOYSA-N 1 1 285.435 3.014 20 10 CGCDMO Cc1c(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c2ccccc2n1C ZINC001138258402 803883793 /nfs/dbraw/zinc/88/37/93/803883793.db2.gz RJONCOBWXYSISF-MKZZRHPPSA-N 1 1 272.367 3.134 20 10 CGCDMO CCCN1CC[NH+](Cc2c(C)n(C)c3ccccc32)CC1 ZINC001138258363 803885684 /nfs/dbraw/zinc/88/56/84/803885684.db2.gz QZUZJVIBMRWFQG-UHFFFAOYSA-N 1 1 285.435 3.014 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CCC[C@@H](F)CC3)ccc21 ZINC001138354221 803900116 /nfs/dbraw/zinc/90/01/16/803900116.db2.gz BGSLRHOYWMRJMZ-MRXNPFEDSA-N 1 1 276.399 3.393 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3C[C@@H]4C[C@H]3C[C@@H]4F)ccc21 ZINC001138357038 803900774 /nfs/dbraw/zinc/90/07/74/803900774.db2.gz ZRTVPSPNMHCAMY-JYJNAYRXSA-N 1 1 274.383 3.001 20 10 CGCDMO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138356539 803901012 /nfs/dbraw/zinc/90/10/12/803901012.db2.gz QQRJQKGCUOITRE-OAHLLOKOSA-N 1 1 295.430 3.447 20 10 CGCDMO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138356539 803901016 /nfs/dbraw/zinc/90/10/16/803901016.db2.gz QQRJQKGCUOITRE-OAHLLOKOSA-N 1 1 295.430 3.447 20 10 CGCDMO COc1cccc(F)c1C[N@H+](C)Cc1ccccc1O ZINC001138385960 803913525 /nfs/dbraw/zinc/91/35/25/803913525.db2.gz FZMJLLRWGLAJNL-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO COc1cccc(F)c1C[N@@H+](C)Cc1ccccc1O ZINC001138385960 803913529 /nfs/dbraw/zinc/91/35/29/803913529.db2.gz FZMJLLRWGLAJNL-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO Cc1cc(C[N@@H+](C)CCc2cccnc2)ccc1N(C)C ZINC001139673005 804247853 /nfs/dbraw/zinc/24/78/53/804247853.db2.gz NLKKWZLVVZAYHG-UHFFFAOYSA-N 1 1 283.419 3.131 20 10 CGCDMO COc1ccc(CN[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc1C ZINC001246343939 804296607 /nfs/dbraw/zinc/29/66/07/804296607.db2.gz CUYKRXFMWAPGPJ-RDJZCZTQSA-N 1 1 290.451 3.260 20 10 CGCDMO CCCC[C@H]1C[C@H](NCc2ccc(OC)c(C)c2)CC[NH2+]1 ZINC001246346557 804298861 /nfs/dbraw/zinc/29/88/61/804298861.db2.gz NVJJIVGJFHTPDO-DLBZAZTESA-N 1 1 290.451 3.404 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001140057407 804364852 /nfs/dbraw/zinc/36/48/52/804364852.db2.gz GKILFOAVTBIQHK-GFCCVEGCSA-N 1 1 277.261 3.101 20 10 CGCDMO Oc1ccc(C[N@H+]2CCc3cccc(O)c3C2)c(Cl)c1 ZINC001140083473 804374123 /nfs/dbraw/zinc/37/41/23/804374123.db2.gz OMQDPFISBOVWTM-UHFFFAOYSA-N 1 1 289.762 3.310 20 10 CGCDMO Cc1noc([C@@H]2CCC[N@H+]2Cc2c(C)ccc(C)c2O)n1 ZINC001140183618 804396185 /nfs/dbraw/zinc/39/61/85/804396185.db2.gz FEKNZYPLZCQTLF-AWEZNQCLSA-N 1 1 287.363 3.038 20 10 CGCDMO CCCC[N@@H+](CC(=O)OCC)Cc1c(C)ccc(C)c1O ZINC001140183357 804396324 /nfs/dbraw/zinc/39/63/24/804396324.db2.gz CYYYKYLBSBOYDG-UHFFFAOYSA-N 1 1 293.407 3.174 20 10 CGCDMO C[C@]1(CO)CCC[N@@H+](Cc2ccc(Cl)cc2O)CC1 ZINC001140462931 804440807 /nfs/dbraw/zinc/44/08/07/804440807.db2.gz OOHWWEBLMHMFDM-HNNXBMFYSA-N 1 1 283.799 3.030 20 10 CGCDMO CO[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3O)C[C@@H]21 ZINC001140465115 804443360 /nfs/dbraw/zinc/44/33/60/804443360.db2.gz IMUMUTKHDFMCJG-DIOULYMOSA-N 1 1 295.810 3.293 20 10 CGCDMO Cc1c(O)ccc(C[N@@H+]2CCC[C@H](C)[C@H](C)C2)c1O ZINC001140742161 804502467 /nfs/dbraw/zinc/50/24/67/804502467.db2.gz JFGADYBWMLJGRZ-NWDGAFQWSA-N 1 1 263.381 3.274 20 10 CGCDMO CC[C@H](C)[N@@H+](C)Cc1ccc(N(CC)CC)cc1O ZINC001140852922 804533418 /nfs/dbraw/zinc/53/34/18/804533418.db2.gz FGLYSPYOZLBHJE-ZDUSSCGKSA-N 1 1 264.413 3.469 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c(O)c1 ZINC001140855925 804534188 /nfs/dbraw/zinc/53/41/88/804534188.db2.gz NGPKURQQDYOLOQ-BPUTZDHNSA-N 1 1 292.398 3.171 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCOC(C)(C)C2)c(Cl)c1 ZINC001140925590 804551281 /nfs/dbraw/zinc/55/12/81/804551281.db2.gz RXBZRBVRAQOIDT-UHFFFAOYSA-N 1 1 296.842 3.407 20 10 CGCDMO CC(C)[N@H+](Cc1ccc2c(c1)OCCN2C)CC1CC1 ZINC001141142900 804596736 /nfs/dbraw/zinc/59/67/36/804596736.db2.gz FYVJBWNPIIUHNQ-UHFFFAOYSA-N 1 1 274.408 3.136 20 10 CGCDMO Cc1cccc(C[N@H+](C)Cc2cc(O)ccc2O)c1 ZINC001141156551 804599785 /nfs/dbraw/zinc/59/97/85/804599785.db2.gz ZSEVNLIOGUWGNV-UHFFFAOYSA-N 1 1 257.333 3.038 20 10 CGCDMO C[N@@H+](CCc1ccc(F)cc1)Cc1cc(F)c(F)cc1[O-] ZINC001142524921 804731795 /nfs/dbraw/zinc/73/17/95/804731795.db2.gz PRSOJJJPQNPACG-UHFFFAOYSA-N 1 1 295.304 3.484 20 10 CGCDMO C[N@H+](CCc1ccc(F)cc1)Cc1cc(F)c(F)cc1O ZINC001142524921 804731797 /nfs/dbraw/zinc/73/17/97/804731797.db2.gz PRSOJJJPQNPACG-UHFFFAOYSA-N 1 1 295.304 3.484 20 10 CGCDMO C[N@@H+](CCc1ccc(F)cc1)Cc1cc(F)c(F)cc1O ZINC001142524921 804731799 /nfs/dbraw/zinc/73/17/99/804731799.db2.gz PRSOJJJPQNPACG-UHFFFAOYSA-N 1 1 295.304 3.484 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CCCC[C@@](C)(O)C2)c1O ZINC001143104598 804802262 /nfs/dbraw/zinc/80/22/62/804802262.db2.gz WBKCGLFKMIYYEU-GOSISDBHSA-N 1 1 291.435 3.427 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)nc1C ZINC001249914149 805302587 /nfs/dbraw/zinc/30/25/87/805302587.db2.gz POTPHOSPKVQAPM-UHFFFAOYSA-N 1 1 299.418 3.097 20 10 CGCDMO CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1ccccc1O ZINC001167838213 807258676 /nfs/dbraw/zinc/25/86/76/807258676.db2.gz RSTACYNNWWBJMB-HNNXBMFYSA-N 1 1 278.440 3.335 20 10 CGCDMO CC1(C)[C@@H]2C[C@H]([N@H+]3CCCc4cc(O)c(O)cc4C3)C[C@@H]21 ZINC001170765437 807902277 /nfs/dbraw/zinc/90/22/77/807902277.db2.gz SSHCQYHBLZTEJX-QDMKHBRRSA-N 1 1 287.403 3.281 20 10 CGCDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC001171025967 807963833 /nfs/dbraw/zinc/96/38/33/807963833.db2.gz JXZAZTXKBNXQJB-QGZVFWFLSA-N 1 1 290.451 3.452 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@@]3(CCCN(C)C3)C2)c1O ZINC001276080877 808987436 /nfs/dbraw/zinc/98/74/36/808987436.db2.gz WZCUMESLRFEIFW-GOSISDBHSA-N 1 1 288.435 3.008 20 10 CGCDMO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCCN(C)C3)C2)c1O ZINC001276080877 808987439 /nfs/dbraw/zinc/98/74/39/808987439.db2.gz WZCUMESLRFEIFW-GOSISDBHSA-N 1 1 288.435 3.008 20 10 CGCDMO CN1CCN(c2ccc(C[NH2+]C3CCC=CCC3)cc2)CC1 ZINC001179615982 809932728 /nfs/dbraw/zinc/93/27/28/809932728.db2.gz JUUIONWHWWLPIC-UHFFFAOYSA-N 1 1 299.462 3.027 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCSCC[C@H]2C)c(O)c1 ZINC001180866088 810025016 /nfs/dbraw/zinc/02/50/16/810025016.db2.gz YPCVZWMDDJFGGO-GFCCVEGCSA-N 1 1 281.421 3.037 20 10 CGCDMO CC(C)C1C[NH+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001181253353 810044623 /nfs/dbraw/zinc/04/46/23/810044623.db2.gz CXADVJBQQJNQMM-UHFFFAOYSA-N 1 1 268.351 3.119 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC001183371803 810147529 /nfs/dbraw/zinc/14/75/29/810147529.db2.gz TXIRLVZIMVEPQY-RYUDHWBXSA-N 1 1 283.824 3.231 20 10 CGCDMO Cc1ccc([C@]2(C)C[N@@H+](Cc3ccccc3O)CCO2)cc1 ZINC001203556962 812390091 /nfs/dbraw/zinc/39/00/91/812390091.db2.gz XRVKFTPLNQAPIW-IBGZPJMESA-N 1 1 297.398 3.448 20 10 CGCDMO CC1(C)C[N@@H+](Cc2ccccc2O)CCC1(F)F ZINC001203550278 812391210 /nfs/dbraw/zinc/39/12/10/812391210.db2.gz PMTLEMUUOGNGHD-UHFFFAOYSA-N 1 1 255.308 3.259 20 10 CGCDMO COc1cccc(C[N@H+]2Cc3cccc(C)c3C2)c1O ZINC001203584857 812400190 /nfs/dbraw/zinc/40/01/90/812400190.db2.gz IDZWMAXPUNJRHL-UHFFFAOYSA-N 1 1 269.344 3.225 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCCC[C@H](F)C1 ZINC001203651524 812416194 /nfs/dbraw/zinc/41/61/94/812416194.db2.gz QNXFOGBNEOLPGM-LBPRGKRZSA-N 1 1 257.736 3.370 20 10 CGCDMO CC[N@@H+](Cc1cccc(O)c1)Cc1ccccc1O ZINC001203863665 812475555 /nfs/dbraw/zinc/47/55/55/812475555.db2.gz JLKLBWSRFFOJOS-UHFFFAOYSA-N 1 1 257.333 3.120 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](COCC3CC3)C2)cc1 ZINC001203937654 812497541 /nfs/dbraw/zinc/49/75/41/812497541.db2.gz JFAGRKOVTUMZLZ-QGZVFWFLSA-N 1 1 288.435 3.001 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCCC[C@H]2C(C)=O)cc1 ZINC001203941698 812497585 /nfs/dbraw/zinc/49/75/85/812497585.db2.gz FJBOHLWWVPRGDT-SFHVURJKSA-N 1 1 288.435 3.476 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCc3cccc(O)c3C2)cc1 ZINC001203971061 812505024 /nfs/dbraw/zinc/50/50/24/812505024.db2.gz WCQGYQUOAGCIJR-UHFFFAOYSA-N 1 1 283.371 3.349 20 10 CGCDMO Oc1cc2c(cc1O)C[N@@H+](Cc1ccsc1)CCC2 ZINC001204043011 812530255 /nfs/dbraw/zinc/53/02/55/812530255.db2.gz SGZAXLFNCWWMDC-UHFFFAOYSA-N 1 1 275.373 3.108 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)CCN1C ZINC001204243310 812583206 /nfs/dbraw/zinc/58/32/06/812583206.db2.gz WGUTYCSNDAGWMX-OAHLLOKOSA-N 1 1 297.446 3.042 20 10 CGCDMO C[C@@H]1CN(Cc2ccc(N(C)C)c3ccccc23)CC[N@@H+]1C ZINC001204243310 812583211 /nfs/dbraw/zinc/58/32/11/812583211.db2.gz WGUTYCSNDAGWMX-OAHLLOKOSA-N 1 1 297.446 3.042 20 10 CGCDMO C[C@@H]1CN(Cc2ccc(N(C)C)c3ccccc23)CC[N@H+]1C ZINC001204243310 812583215 /nfs/dbraw/zinc/58/32/15/812583215.db2.gz WGUTYCSNDAGWMX-OAHLLOKOSA-N 1 1 297.446 3.042 20 10 CGCDMO Oc1ccc(C[N@H+]2CC[C@H](c3ccccc3F)C2)c(O)c1 ZINC001204275307 812593816 /nfs/dbraw/zinc/59/38/16/812593816.db2.gz OLGKPHCRECAVPT-LBPRGKRZSA-N 1 1 287.334 3.226 20 10 CGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001204322317 812613274 /nfs/dbraw/zinc/61/32/74/812613274.db2.gz QOZQRGWNIWHRKH-SFHVURJKSA-N 1 1 286.419 3.042 20 10 CGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CCC2(CC2)C1 ZINC001204326269 812614392 /nfs/dbraw/zinc/61/43/92/812614392.db2.gz WQHFHABBYVEMGQ-UHFFFAOYSA-N 1 1 256.393 3.273 20 10 CGCDMO Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1Cl ZINC001206012222 813165257 /nfs/dbraw/zinc/16/52/57/813165257.db2.gz JDSRYARPESEJDO-OLZOCXBDSA-N 1 1 296.842 3.161 20 10 CGCDMO Cc1cc([O-])c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1Cl ZINC001206012222 813165258 /nfs/dbraw/zinc/16/52/58/813165258.db2.gz JDSRYARPESEJDO-OLZOCXBDSA-N 1 1 296.842 3.161 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CCC[C@H]1C[NH3+] ZINC001206014528 813165939 /nfs/dbraw/zinc/16/59/39/813165939.db2.gz XFAWWRQGKYMUJB-ZBFHGGJFSA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CCC[C@H]1C[NH3+] ZINC001206014528 813165948 /nfs/dbraw/zinc/16/59/48/813165948.db2.gz XFAWWRQGKYMUJB-ZBFHGGJFSA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@H]1C[N@H+](Cc2cc3ccccc3cc2[O-])CCC[C@H]1C[NH3+] ZINC001206021808 813169036 /nfs/dbraw/zinc/16/90/36/813169036.db2.gz BDGQDNVPWTTYJQ-YOEHRIQHSA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc3ccccc3cc2[O-])CCC[C@H]1C[NH3+] ZINC001206021808 813169042 /nfs/dbraw/zinc/16/90/42/813169042.db2.gz BDGQDNVPWTTYJQ-YOEHRIQHSA-N 1 1 298.430 3.352 20 10 CGCDMO Cc1cc(C[NH2+]Cc2c(O)cccc2F)cs1 ZINC001207623514 813618970 /nfs/dbraw/zinc/61/89/70/813618970.db2.gz UPRHHTJMMPQVHL-UHFFFAOYSA-N 1 1 251.326 3.191 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207631481 813621731 /nfs/dbraw/zinc/62/17/31/813621731.db2.gz ICPYJRSHDCMHFL-LZWOXQAQSA-N 1 1 257.377 3.426 20 10 CGCDMO CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCCCO1 ZINC001207961964 813680883 /nfs/dbraw/zinc/68/08/83/813680883.db2.gz FGYOMYFYLCNEQE-QGZVFWFLSA-N 1 1 276.424 3.144 20 10 CGCDMO CCOC(C)(C)C[N@@H+](CC)Cc1ccccc1O ZINC001209076157 813928241 /nfs/dbraw/zinc/92/82/41/813928241.db2.gz CXRUQEZQYCFNAG-UHFFFAOYSA-N 1 1 251.370 3.029 20 10 CGCDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1cccc(C)c1O ZINC001231593178 818131636 /nfs/dbraw/zinc/13/16/36/818131636.db2.gz QESUHHOXZUAEOP-CQSZACIVSA-N 1 1 263.381 3.090 20 10 CGCDMO Cc1cccc(C[N@H+]2CCOC[C@H]2Cc2ccccc2)c1O ZINC001231595037 818133250 /nfs/dbraw/zinc/13/32/50/818133250.db2.gz RCWWUZOZHDLBKP-GOSISDBHSA-N 1 1 297.398 3.144 20 10 CGCDMO Cc1cccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c1O ZINC001231594673 818133568 /nfs/dbraw/zinc/13/35/68/818133568.db2.gz MYGOBEHXMMFJFP-UHFFFAOYSA-N 1 1 299.370 3.060 20 10 CGCDMO Cc1cc(C)c(C[N@@H+](C)CCc2ccncc2)c(O)c1 ZINC001231844036 818186501 /nfs/dbraw/zinc/18/65/01/818186501.db2.gz FPODFBSYDNODSB-UHFFFAOYSA-N 1 1 270.376 3.079 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001231851370 818188803 /nfs/dbraw/zinc/18/88/03/818188803.db2.gz GJGXRMSQCKIZQI-GJZGRUSLSA-N 1 1 288.435 3.383 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2c(C)cc(C)cc2O)[C@H](C)C1 ZINC001231850939 818188817 /nfs/dbraw/zinc/18/88/17/818188817.db2.gz XGNLTLWVPUXCOT-KGLIPLIRSA-N 1 1 263.381 3.008 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2CF)cc1Cl ZINC001231872210 818193108 /nfs/dbraw/zinc/19/31/08/818193108.db2.gz XSUQEGFSCPVXDD-LLVKDONJSA-N 1 1 257.736 3.288 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C[C@@]1(C)O ZINC001231879827 818199396 /nfs/dbraw/zinc/19/93/96/818199396.db2.gz RFVNLHMQOBWDQY-FZKQIMNGSA-N 1 1 285.387 3.138 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001231909793 818209222 /nfs/dbraw/zinc/20/92/22/818209222.db2.gz IZOBADUOQSICKT-RISCZKNCSA-N 1 1 281.783 3.047 20 10 CGCDMO O=C1CC[N@H+](Cc2cccc(Cl)c2[O-])[C@@H]2CCCC[C@@H]12 ZINC001231909839 818210442 /nfs/dbraw/zinc/21/04/42/818210442.db2.gz RHQMSTNVXUFKFF-TZMCWYRMSA-N 1 1 293.794 3.379 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc(F)c2)c(O)c1 ZINC001232834959 818451590 /nfs/dbraw/zinc/45/15/90/818451590.db2.gz SCCIOOKTIVJWRT-UHFFFAOYSA-N 1 1 288.366 3.229 20 10 CGCDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(N(C)C)cc1O ZINC001232841088 818453720 /nfs/dbraw/zinc/45/37/20/818453720.db2.gz RVRSINPALBBBLO-CQSZACIVSA-N 1 1 296.414 3.405 20 10 CGCDMO CC[N@@H+](Cc1cccc2c1CCO2)Cc1ccccc1O ZINC001233277928 818564290 /nfs/dbraw/zinc/56/42/90/818564290.db2.gz XRECUVXTQABFEN-UHFFFAOYSA-N 1 1 283.371 3.349 20 10 CGCDMO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233286420 818568038 /nfs/dbraw/zinc/56/80/38/818568038.db2.gz TYBNGNJNABMRIC-DOMZBBRYSA-N 1 1 277.408 3.035 20 10 CGCDMO CC[C@H]1CCCC[N@@H+]1Cc1c(O)ccc(F)c1F ZINC001233334939 818584413 /nfs/dbraw/zinc/58/44/13/818584413.db2.gz AKABYEVZBYIVLJ-JTQLQIEISA-N 1 1 255.308 3.435 20 10 CGCDMO CC[C@H]1CCCC[N@H+]1Cc1c(O)ccc(F)c1F ZINC001233334939 818584420 /nfs/dbraw/zinc/58/44/20/818584420.db2.gz AKABYEVZBYIVLJ-JTQLQIEISA-N 1 1 255.308 3.435 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CCC[C@@H]2c2cccs2)cc1O ZINC001233485158 818625783 /nfs/dbraw/zinc/62/57/83/818625783.db2.gz LCERNQJYWQUURM-LLVKDONJSA-N 1 1 291.372 3.202 20 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RHAIQAKLJDGUOU-UHFFFAOYSA-N 1 1 285.322 3.040 20 10 CGCDMO C[N@@H+](Cc1nc2cc(F)ccc2[nH]1)Cc1ccccc1O ZINC001235695808 819145969 /nfs/dbraw/zinc/14/59/69/819145969.db2.gz RHAIQAKLJDGUOU-UHFFFAOYSA-N 1 1 285.322 3.040 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C[C@H](C)N1 ZINC001235897517 819208319 /nfs/dbraw/zinc/20/83/19/819208319.db2.gz ZRNRASDBHOYWOG-GASCZTMLSA-N 1 1 297.446 3.088 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)C[C@H](C)N1 ZINC001235897517 819208323 /nfs/dbraw/zinc/20/83/23/819208323.db2.gz ZRNRASDBHOYWOG-GASCZTMLSA-N 1 1 297.446 3.088 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2O)C[C@H](C)N1 ZINC001235900173 819210259 /nfs/dbraw/zinc/21/02/59/819210259.db2.gz ATSGFJXQGGBHJN-GASCZTMLSA-N 1 1 296.414 3.241 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2O)C[C@H](C)N1 ZINC001235900173 819210265 /nfs/dbraw/zinc/21/02/65/819210265.db2.gz ATSGFJXQGGBHJN-GASCZTMLSA-N 1 1 296.414 3.241 20 10 CGCDMO C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(N)cc1 ZINC001236072364 819301202 /nfs/dbraw/zinc/30/12/02/819301202.db2.gz SNDMSQCRZFZAPX-ZDUSSCGKSA-N 1 1 252.361 3.216 20 10 CGCDMO CCCC[C@H]1CN(Cc2cccc(Cl)c2O)CC[NH2+]1 ZINC001236137200 819338877 /nfs/dbraw/zinc/33/88/77/819338877.db2.gz KZIGUYWSVGLNHI-ZDUSSCGKSA-N 1 1 282.815 3.010 20 10 CGCDMO CN(Cc1cc(C(C)(C)C)ccc1O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217885 819383904 /nfs/dbraw/zinc/38/39/04/819383904.db2.gz QQSFYDILULPRSR-JKSUJKDBSA-N 1 1 290.451 3.391 20 10 CGCDMO Cc1cc(C)c(CN(CC(C)C)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001236473300 819492137 /nfs/dbraw/zinc/49/21/37/819492137.db2.gz FQXGIVUJKMRYCO-MRXNPFEDSA-N 1 1 290.451 3.219 20 10 CGCDMO CCC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@H](C)CC ZINC001236750465 819590708 /nfs/dbraw/zinc/59/07/08/819590708.db2.gz MXFKWTMPSMPFLF-GFCCVEGCSA-N 1 1 281.396 3.420 20 10 CGCDMO CCc1ccc(C[N@H+]2CC[C@@](C)(CF)C2)c(O)c1 ZINC001236783609 819593875 /nfs/dbraw/zinc/59/38/75/819593875.db2.gz NECRFVQWHOAEGD-HNNXBMFYSA-N 1 1 251.345 3.136 20 10 CGCDMO CCc1ccc(C[N@@H+]2CCC(F)(F)[C@H](F)C2)c(O)c1 ZINC001236782910 819593917 /nfs/dbraw/zinc/59/39/17/819593917.db2.gz GTOLOVYUDAZSRR-CYBMUJFWSA-N 1 1 273.298 3.134 20 10 CGCDMO CCc1ccc(C[N@H+]2CCC(F)(F)[C@H](F)C2)c(O)c1 ZINC001236782910 819593921 /nfs/dbraw/zinc/59/39/21/819593921.db2.gz GTOLOVYUDAZSRR-CYBMUJFWSA-N 1 1 273.298 3.134 20 10 CGCDMO C[N@H+](Cc1cc(Cl)c(Cl)cc1O)C1CCOCC1 ZINC001236793159 819597118 /nfs/dbraw/zinc/59/71/18/819597118.db2.gz IMBVHKVZCPVTJZ-UHFFFAOYSA-N 1 1 290.190 3.310 20 10 CGCDMO C[N@@H+](Cc1cc(Cl)c(Cl)cc1O)C1CCOCC1 ZINC001236793159 819597120 /nfs/dbraw/zinc/59/71/20/819597120.db2.gz IMBVHKVZCPVTJZ-UHFFFAOYSA-N 1 1 290.190 3.310 20 10 CGCDMO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cc(Cl)c(Cl)cc1O ZINC001236793410 819597300 /nfs/dbraw/zinc/59/73/00/819597300.db2.gz KOUVOPKJIODOFF-PSASIEDQSA-N 1 1 290.190 3.044 20 10 CGCDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cc(Cl)c(Cl)cc1O ZINC001236793410 819597303 /nfs/dbraw/zinc/59/73/03/819597303.db2.gz KOUVOPKJIODOFF-PSASIEDQSA-N 1 1 290.190 3.044 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2C)c(Cl)c1 ZINC001236801407 819599462 /nfs/dbraw/zinc/59/94/62/819599462.db2.gz CJLMLXYGIDCLCQ-VIFPVBQESA-N 1 1 255.745 3.039 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC3(CC3)C2)c(Cl)c1 ZINC001236798479 819600134 /nfs/dbraw/zinc/60/01/34/819600134.db2.gz OSNQRNZEWJVCBF-UHFFFAOYSA-N 1 1 267.756 3.040 20 10 CGCDMO COc1ccc(C[N@@H+]2CCC[C@H](C)C2)c(O)c1Cl ZINC001236806674 819601896 /nfs/dbraw/zinc/60/18/96/819601896.db2.gz YXLHXEIHLMMSJK-JTQLQIEISA-N 1 1 269.772 3.286 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@H](C)C2)c(O)c1Cl ZINC001236806674 819601901 /nfs/dbraw/zinc/60/19/01/819601901.db2.gz YXLHXEIHLMMSJK-JTQLQIEISA-N 1 1 269.772 3.286 20 10 CGCDMO COc1cc(C)c(C[N@@H+]2Cc3ccc(F)cc3C2)c(O)c1 ZINC001236810378 819603774 /nfs/dbraw/zinc/60/37/74/819603774.db2.gz FCABYRPQJFSVLH-UHFFFAOYSA-N 1 1 287.334 3.364 20 10 CGCDMO COc1cc(C)c(C[N@H+]2Cc3ccc(F)cc3C2)c(O)c1 ZINC001236810378 819603775 /nfs/dbraw/zinc/60/37/75/819603775.db2.gz FCABYRPQJFSVLH-UHFFFAOYSA-N 1 1 287.334 3.364 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001236811650 819603897 /nfs/dbraw/zinc/60/38/97/819603897.db2.gz USMYZAVVCTVVKE-SNVBAGLBSA-N 1 1 289.297 3.093 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C(C)C)C2CCOCC2)c(O)c1 ZINC001236816402 819606646 /nfs/dbraw/zinc/60/66/46/819606646.db2.gz UKOVOIGECGPQCT-UHFFFAOYSA-N 1 1 293.407 3.099 20 10 CGCDMO C[C@@H]1COCC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236826684 819609889 /nfs/dbraw/zinc/60/98/89/819609889.db2.gz LSFNWJOBEUNFNQ-ZDUSSCGKSA-N 1 1 271.360 3.014 20 10 CGCDMO COC(=O)[C@@H]1CCCC[N@H+]1Cc1cc2ccccc2cc1O ZINC001236827436 819609978 /nfs/dbraw/zinc/60/99/78/819609978.db2.gz RXIFARWYVDTASZ-INIZCTEOSA-N 1 1 299.370 3.073 20 10 CGCDMO O=C1CCC[N@H+](Cc2cc3ccccc3cc2O)CC1 ZINC001236828669 819610017 /nfs/dbraw/zinc/61/00/17/819610017.db2.gz FDXLIHGCRJXIGQ-UHFFFAOYSA-N 1 1 269.344 3.100 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc3ccccc3cc2O)CCC[C@@H]1O ZINC001236826744 819610039 /nfs/dbraw/zinc/61/00/39/819610039.db2.gz MEDRKNNBZKOTDW-GUYCJALGSA-N 1 1 285.387 3.138 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c(O)c1 ZINC001237047076 819650039 /nfs/dbraw/zinc/65/00/39/819650039.db2.gz ZTDCJHMIIFAWST-KBXCAEBGSA-N 1 1 291.435 3.499 20 10 CGCDMO CCOc1ccc(C[N@H+]2C[C@@H](C)CC23CC3)c(O)c1 ZINC001237045941 819650573 /nfs/dbraw/zinc/65/05/73/819650573.db2.gz KLNPQJKSGYTUAM-LBPRGKRZSA-N 1 1 261.365 3.165 20 10 CGCDMO CC(C)c1ccc(C[N@@H+]2CCC(=O)[C@@H](C)CC2)c(O)c1 ZINC001237044862 819651088 /nfs/dbraw/zinc/65/10/88/819651088.db2.gz FBGKOWCNQGZZSQ-ZDUSSCGKSA-N 1 1 275.392 3.317 20 10 CGCDMO CCOc1ccc(C[N@@H+](CC2CC2)C2CC2)c(O)c1 ZINC001237045924 819651182 /nfs/dbraw/zinc/65/11/82/819651182.db2.gz KJWABWIZJNLZKS-UHFFFAOYSA-N 1 1 261.365 3.165 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c(O)c1 ZINC001237050355 819652478 /nfs/dbraw/zinc/65/24/78/819652478.db2.gz AONBNDFSGJBCJA-HOCLYGCPSA-N 1 1 287.403 3.317 20 10 CGCDMO Cc1[nH+]cc2n1CCN(Cc1ccc(C(C)C)cc1O)C2 ZINC001237052043 819652778 /nfs/dbraw/zinc/65/27/78/819652778.db2.gz QHADPIROFRABFP-UHFFFAOYSA-N 1 1 285.391 3.036 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237054165 819655539 /nfs/dbraw/zinc/65/55/39/819655539.db2.gz VWVMYZRDBVZHKE-SNVBAGLBSA-N 1 1 289.297 3.175 20 10 CGCDMO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1c(O)ccc(Cl)c1Cl ZINC001237078784 819662494 /nfs/dbraw/zinc/66/24/94/819662494.db2.gz WYRNNTZVUPYBDW-RKDXNWHRSA-N 1 1 290.190 3.044 20 10 CGCDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1c(O)ccc(Cl)c1Cl ZINC001237078784 819662497 /nfs/dbraw/zinc/66/24/97/819662497.db2.gz WYRNNTZVUPYBDW-RKDXNWHRSA-N 1 1 290.190 3.044 20 10 CGCDMO CC[C@@H]1CC[N@@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237128299 819675560 /nfs/dbraw/zinc/67/55/60/819675560.db2.gz ORZHLRLFTKXNHW-SECBINFHSA-N 1 1 257.736 3.417 20 10 CGCDMO C[C@@H]1CCC[N@H+]1Cc1c(O)cccc1OC(F)(F)F ZINC001237110750 819669903 /nfs/dbraw/zinc/66/99/03/819669903.db2.gz JSQZYJLXHUTQIG-SECBINFHSA-N 1 1 275.270 3.275 20 10 CGCDMO CCCO[C@@H]1CC[N@@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237125022 819672900 /nfs/dbraw/zinc/67/29/00/819672900.db2.gz QLKFJXZGQWPMQO-SNVBAGLBSA-N 1 1 287.762 3.186 20 10 CGCDMO Oc1ccc(F)c(Cl)c1C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001237124949 819673721 /nfs/dbraw/zinc/67/37/21/819673721.db2.gz SWMBDEHYLXSBRO-QMTHXVAHSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1ccc(F)c(Cl)c1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001237122834 819674115 /nfs/dbraw/zinc/67/41/15/819674115.db2.gz ZNSFHAZIGQEXOT-HZMBPMFUSA-N 1 1 299.773 3.186 20 10 CGCDMO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc(C(F)(F)F)ccc1O ZINC001237138179 819675191 /nfs/dbraw/zinc/67/51/91/819675191.db2.gz VJPUQUURDJKHIM-LDYMZIIASA-N 1 1 277.261 3.343 20 10 CGCDMO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cc(C(F)(F)F)ccc1O ZINC001237138179 819675194 /nfs/dbraw/zinc/67/51/94/819675194.db2.gz VJPUQUURDJKHIM-LDYMZIIASA-N 1 1 277.261 3.343 20 10 CGCDMO C[N@@H+](Cc1cc(C(F)(F)F)ccc1O)[C@H]1CCCOC1 ZINC001237144531 819678428 /nfs/dbraw/zinc/67/84/28/819678428.db2.gz RHDYFPKYQHLMKM-LBPRGKRZSA-N 1 1 289.297 3.022 20 10 CGCDMO Cc1nc2c(s1)C[N@@H+](Cc1c(C)cccc1O)CC2 ZINC001237488062 819762282 /nfs/dbraw/zinc/76/22/82/819762282.db2.gz QMRVSDHWLLAAHQ-UHFFFAOYSA-N 1 1 274.389 3.024 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001237490572 819764445 /nfs/dbraw/zinc/76/44/45/819764445.db2.gz WLSURUQRGHIAAJ-HNNXBMFYSA-N 1 1 268.360 3.085 20 10 CGCDMO COc1cc(C[N@H+]2CCCC[C@H](C)C2)c(O)c(OC)c1 ZINC001237675107 819803475 /nfs/dbraw/zinc/80/34/75/819803475.db2.gz UCLMCAGXEIBDCT-LBPRGKRZSA-N 1 1 279.380 3.031 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c(O)c(OC)c1 ZINC001237678630 819804235 /nfs/dbraw/zinc/80/42/35/819804235.db2.gz QGTLBCKFRQWWQF-DOMZBBRYSA-N 1 1 291.391 3.174 20 10 CGCDMO Cc1nc(C[N@H+](C)Cc2ccc(N(C)C)cc2)ccc1F ZINC001237819301 819851495 /nfs/dbraw/zinc/85/14/95/819851495.db2.gz CZXVVOPOVDZCCA-UHFFFAOYSA-N 1 1 287.382 3.227 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2C[C@@H](C)C[C@H]2CF)c1O ZINC001238065214 819921603 /nfs/dbraw/zinc/92/16/03/819921603.db2.gz SGARNKZNVFGZGN-ZANVPECISA-N 1 1 255.308 3.020 20 10 CGCDMO CCC[N@@H+](Cc1cc(F)cc(C)c1O)C1CCOCC1 ZINC001238068594 819923173 /nfs/dbraw/zinc/92/31/73/819923173.db2.gz VQBNKHIAWOSYPD-UHFFFAOYSA-N 1 1 281.371 3.231 20 10 CGCDMO Cc1cc(F)cc(C[N@@H+](C)C[C@H]2CC2(C)C)c1O ZINC001238071378 819924219 /nfs/dbraw/zinc/92/42/19/819924219.db2.gz WAGREEOPLDVYGF-GFCCVEGCSA-N 1 1 251.345 3.318 20 10 CGCDMO CN(C)c1ccc(C2=CC[N@@H+](C)CC2)c(C(F)(F)F)c1 ZINC001241322413 821731691 /nfs/dbraw/zinc/73/16/91/821731691.db2.gz NMIFUVPRJLCPDJ-UHFFFAOYSA-N 1 1 284.325 3.490 20 10 CGCDMO Cn1ccc2c1cc[nH+]c2-c1cnn(C2CCC2)c1 ZINC001241719553 822099812 /nfs/dbraw/zinc/09/98/12/822099812.db2.gz GCAWOPDYWFSPFI-UHFFFAOYSA-N 1 1 252.321 3.162 20 10 CGCDMO C[N@@H+](CC1=CCSC1)Cc1ccc(N2CCCC2)cc1 ZINC001347368367 936881389 /nfs/dbraw/zinc/88/13/89/936881389.db2.gz XHSAEWSELKRROG-UHFFFAOYSA-N 1 1 288.460 3.392 20 10 CGCDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2ccc(N)cc2)c1 ZINC001356083551 937152895 /nfs/dbraw/zinc/15/28/95/937152895.db2.gz SFPGYIWTNKEBAZ-SFHVURJKSA-N 1 1 296.414 3.485 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccnc(F)c1 ZINC001461670478 937590946 /nfs/dbraw/zinc/59/09/46/937590946.db2.gz VFEDPYTWPFKOBW-UHFFFAOYSA-N 1 1 284.693 3.009 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@@H+](C)Cc2cccn2C)c1 ZINC001461937881 937607411 /nfs/dbraw/zinc/60/74/11/937607411.db2.gz UTYBWDGOKMFKJV-UHFFFAOYSA-N 1 1 272.392 3.486 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)Cc2ccoc2C)c(O)c1 ZINC001461953570 937608366 /nfs/dbraw/zinc/60/83/66/937608366.db2.gz GIOUDQHOZGJGGT-UHFFFAOYSA-N 1 1 275.348 3.243 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCO[C@H](C)[C@@H]2C)c1 ZINC001461960005 937608974 /nfs/dbraw/zinc/60/89/74/937608974.db2.gz LYIJTYDPVMULHW-QWHCGFSZSA-N 1 1 263.381 3.125 20 10 CGCDMO C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1c(O)cccc1F ZINC001462587122 937651886 /nfs/dbraw/zinc/65/18/86/937651886.db2.gz FKYCKICQYDHYDV-NSHDSACASA-N 1 1 277.314 3.391 20 10 CGCDMO CC[C@@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC001308585495 933137694 /nfs/dbraw/zinc/13/76/94/933137694.db2.gz ZXYKLFVLCWPLEY-LLYBFZRZSA-N 1 1 258.409 3.498 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC001308776405 933175557 /nfs/dbraw/zinc/17/55/57/933175557.db2.gz YDLJAAIUEINZEH-ZDUSSCGKSA-N 1 1 283.824 3.373 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccnc(F)c1 ZINC001308887268 933197531 /nfs/dbraw/zinc/19/75/31/933197531.db2.gz VIQJLZQGURCRED-UHFFFAOYSA-N 1 1 284.693 3.009 20 10 CGCDMO CC(C)[C@]1(CO)CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001324555896 934523255 /nfs/dbraw/zinc/52/32/55/934523255.db2.gz YBYQUUAYKCLKLR-LJQANCHMSA-N 1 1 299.414 3.386 20 10 CGCDMO CS[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001327953022 935101868 /nfs/dbraw/zinc/10/18/68/935101868.db2.gz SKZPDBTUBFNLCV-INIZCTEOSA-N 1 1 276.449 3.224 20 10 CGCDMO CCc1cccc(C[N@@H+](Cc2ccccc2)[C@H](C)CO)c1O ZINC001329169548 935193317 /nfs/dbraw/zinc/19/33/17/935193317.db2.gz QDAQJOCZDUQKMP-OAHLLOKOSA-N 1 1 299.414 3.338 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](c3nccs3)C2)c1 ZINC001332152735 935444124 /nfs/dbraw/zinc/44/41/24/935444124.db2.gz XANUPQKDMLOQSP-ZDUSSCGKSA-N 1 1 288.416 3.455 20 10 CGCDMO Nc1ccc(C[N@H+]2CCC[C@H]2Cc2ccccc2)cc1 ZINC001334775437 936112901 /nfs/dbraw/zinc/11/29/01/936112901.db2.gz XWJYMOTUXJJBLH-SFHVURJKSA-N 1 1 266.388 3.476 20 10 CGCDMO Nc1ccc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc1 ZINC001336117457 936176959 /nfs/dbraw/zinc/17/69/59/936176959.db2.gz NLUKLTFPUZYFRZ-KRWDZBQOSA-N 1 1 286.350 3.061 20 10 CGCDMO CCC[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001337041762 936233967 /nfs/dbraw/zinc/23/39/67/936233967.db2.gz CBPMNMNFOOYXAN-SFHVURJKSA-N 1 1 288.435 3.288 20 10 CGCDMO CC1(C)CCC[C@@](CO)([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC001474212489 937844613 /nfs/dbraw/zinc/84/46/13/937844613.db2.gz FEUATBSOBXODMC-MRXNPFEDSA-N 1 1 299.361 3.091 20 10 CGCDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(Cl)cc2O)CCCO1 ZINC001474551800 937866129 /nfs/dbraw/zinc/86/61/29/937866129.db2.gz UDQGYCCWVVPSMS-OAHLLOKOSA-N 1 1 283.799 3.293 20 10 CGCDMO CCC1(CC)[C@H]([NH2+]Cc2c(O)cccc2F)C[C@@H]1OC ZINC001474716230 937876715 /nfs/dbraw/zinc/87/67/15/937876715.db2.gz FYZWBKIDTXVCMO-CABCVRRESA-N 1 1 281.371 3.215 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001474717035 937876833 /nfs/dbraw/zinc/87/68/33/937876833.db2.gz WMWDKMHQLNILEK-UHFFFAOYSA-N 1 1 270.307 3.302 20 10 CGCDMO C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2c(O)cccc2F)C1 ZINC001561015816 938289631 /nfs/dbraw/zinc/28/96/31/938289631.db2.gz HZAFWWVUSRQLCL-UHIISALHSA-N 1 1 251.345 3.446 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H](O)c1ccccc1 ZINC000068973702 345368940 /nfs/dbraw/zinc/36/89/40/345368940.db2.gz WCFLYYPECIUZNI-SFHVURJKSA-N 1 1 285.387 3.338 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)C2CCC(OC)CC2)c1O ZINC000093414966 345877599 /nfs/dbraw/zinc/87/75/99/345877599.db2.gz YQSFKFNAEFVJNY-UHFFFAOYSA-N 1 1 293.407 3.180 20 10 CGCDMO CCC[N@@H+](Cc1c(C)n[nH]c1C)Cc1ccccc1O ZINC000124045283 370918433 /nfs/dbraw/zinc/91/84/33/370918433.db2.gz HZIGLICZZIQKAY-UHFFFAOYSA-N 1 1 273.380 3.144 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000093505983 370137604 /nfs/dbraw/zinc/13/76/04/370137604.db2.gz BZOSRLXSFJAAGB-IAQYHMDHSA-N 1 1 281.783 3.047 20 10 CGCDMO C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(F)cc1O ZINC000134789657 371365572 /nfs/dbraw/zinc/36/55/72/371365572.db2.gz PYKIKZBFMMPSMX-NZBMOFRJSA-N 1 1 291.366 3.140 20 10 CGCDMO CCOCC(C)(C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293746623 372468579 /nfs/dbraw/zinc/46/85/79/372468579.db2.gz WJKBPHWFYNOHCZ-UHFFFAOYSA-N 1 1 275.751 3.089 20 10 CGCDMO COCC1(CC[NH2+][C@H](C)c2ccc(F)cc2O)CCC1 ZINC000293851960 372501356 /nfs/dbraw/zinc/50/13/56/372501356.db2.gz YLICJRJBBRVGCG-GFCCVEGCSA-N 1 1 281.371 3.389 20 10 CGCDMO Cc1cc(C[N@@H+](C)CCc2ccncc2)ccc1N(C)C ZINC000293894257 372516486 /nfs/dbraw/zinc/51/64/86/372516486.db2.gz VKGIAPALKDZIPY-UHFFFAOYSA-N 1 1 283.419 3.131 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1C ZINC000294214127 372616167 /nfs/dbraw/zinc/61/61/67/372616167.db2.gz YKHPQESGYKTVMH-MSOLQXFVSA-N 1 1 287.403 3.152 20 10 CGCDMO CC[C@@H](CSC)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000168862682 372620702 /nfs/dbraw/zinc/62/07/02/372620702.db2.gz BYDBDKGRPORQTP-KOLCDFICSA-N 1 1 257.374 3.324 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC1(C)C ZINC000295141443 372696771 /nfs/dbraw/zinc/69/67/71/372696771.db2.gz ZWCKEJMWFYITQO-MRXNPFEDSA-N 1 1 294.414 3.139 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)[C@@H](CO)c2ccccc2)cc1C ZINC000295126057 372693604 /nfs/dbraw/zinc/69/36/04/372693604.db2.gz XHULZRRZLWOKBA-KRWDZBQOSA-N 1 1 285.387 3.174 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1C=CCCC1 ZINC000172188581 372923007 /nfs/dbraw/zinc/92/30/07/372923007.db2.gz YONRQVOTSQBVGM-KRWDZBQOSA-N 1 1 286.419 3.064 20 10 CGCDMO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCN3C)c2nccn21 ZINC000297634816 373277602 /nfs/dbraw/zinc/27/76/02/373277602.db2.gz JMYPWZYLUMLKJK-CJNGLKHVSA-N 1 1 296.418 3.061 20 10 CGCDMO Cc1cc(N[C@H](C)c2ccc(N(C)C)cc2)nc(C)[nH+]1 ZINC000302435311 373867624 /nfs/dbraw/zinc/86/76/24/373867624.db2.gz QLDICKJFSKCZLY-GFCCVEGCSA-N 1 1 270.380 3.333 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)C[C@@H](C)c2nccs2)c1 ZINC000183254795 374394246 /nfs/dbraw/zinc/39/42/46/374394246.db2.gz OXCTUGRVYRXDPK-LLVKDONJSA-N 1 1 292.404 3.093 20 10 CGCDMO C[C@@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccccc1O ZINC000183517309 374421956 /nfs/dbraw/zinc/42/19/56/374421956.db2.gz YHDFCLDRRQQZLB-CJNGLKHVSA-N 1 1 278.440 3.409 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2cccc(C)c2O)cc1 ZINC000183508791 374422308 /nfs/dbraw/zinc/42/23/08/374422308.db2.gz WJHMMDGUAJEACM-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000248907888 377427990 /nfs/dbraw/zinc/42/79/90/377427990.db2.gz XFEYAXQVSREDKR-HZMBPMFUSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000248907888 377427995 /nfs/dbraw/zinc/42/79/95/377427995.db2.gz XFEYAXQVSREDKR-HZMBPMFUSA-N 1 1 299.773 3.186 20 10 CGCDMO Cc1n[nH]c(C)c1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000271038553 378435160 /nfs/dbraw/zinc/43/51/60/378435160.db2.gz GXEUPZZOZDUNFI-UHFFFAOYSA-N 1 1 298.434 3.257 20 10 CGCDMO C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(Cl)ccc1[O-] ZINC000273372988 378743512 /nfs/dbraw/zinc/74/35/12/378743512.db2.gz AVRSPXREUWITDT-GFCCVEGCSA-N 1 1 296.842 3.428 20 10 CGCDMO C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc2ccccc2c1[O-] ZINC000273534382 378752204 /nfs/dbraw/zinc/75/22/04/378752204.db2.gz WZCXULGNYIILBD-AWEZNQCLSA-N 1 1 296.414 3.458 20 10 CGCDMO C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc2ccccc2c1[O-] ZINC000273534382 378752211 /nfs/dbraw/zinc/75/22/11/378752211.db2.gz WZCXULGNYIILBD-AWEZNQCLSA-N 1 1 296.414 3.458 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375300734 379490086 /nfs/dbraw/zinc/49/00/86/379490086.db2.gz CJCMBSHIEFUAQD-OAHLLOKOSA-N 1 1 299.773 3.187 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375300734 379490095 /nfs/dbraw/zinc/49/00/95/379490095.db2.gz CJCMBSHIEFUAQD-OAHLLOKOSA-N 1 1 299.773 3.187 20 10 CGCDMO CSCCC[N@@H+](C)Cc1c(O)cccc1Cl ZINC000281291559 379828524 /nfs/dbraw/zinc/82/85/24/379828524.db2.gz PCPUQSSMNRQTIT-UHFFFAOYSA-N 1 1 259.802 3.231 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)CC1CCOCC1 ZINC000282467352 379926953 /nfs/dbraw/zinc/92/69/53/379926953.db2.gz NMFZOQRLOZEDIV-UHFFFAOYSA-N 1 1 277.408 3.421 20 10 CGCDMO Oc1ccccc1C[N@@H+](CCCCF)C[C@@H]1CCCO1 ZINC000285479089 380147088 /nfs/dbraw/zinc/14/70/88/380147088.db2.gz CMTAFHHTFGXWDV-HNNXBMFYSA-N 1 1 281.371 3.123 20 10 CGCDMO Oc1ccccc1C[N@@H+](CCCCF)C[C@H]1CCCO1 ZINC000285479092 380148223 /nfs/dbraw/zinc/14/82/23/380148223.db2.gz CMTAFHHTFGXWDV-OAHLLOKOSA-N 1 1 281.371 3.123 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)C1CCOCC1)c1ccc(F)cc1O ZINC000286215112 380177379 /nfs/dbraw/zinc/17/73/79/380177379.db2.gz SETRQCVQLRCDLV-ABAIWWIYSA-N 1 1 281.371 3.387 20 10 CGCDMO CCCC[N@@H+](CCOC)Cc1cccc(OCC)c1O ZINC000093323023 392238122 /nfs/dbraw/zinc/23/81/22/392238122.db2.gz ARPRZJKKJCZEKQ-UHFFFAOYSA-N 1 1 281.396 3.039 20 10 CGCDMO CCOC[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000177635257 392664912 /nfs/dbraw/zinc/66/49/12/392664912.db2.gz RURRPKIPAIPCMH-AWEZNQCLSA-N 1 1 285.387 3.404 20 10 CGCDMO CC[N@@H+](Cc1ccncc1)Cc1ccc(N(C)C)cc1 ZINC000006246566 170185343 /nfs/dbraw/zinc/18/53/43/170185343.db2.gz PUQQYLDVGCWIGP-UHFFFAOYSA-N 1 1 269.392 3.170 20 10 CGCDMO Nc1cccc2c1CC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC000038032514 174028628 /nfs/dbraw/zinc/02/86/28/174028628.db2.gz OTNSHVSLSHTMEQ-UHFFFAOYSA-N 1 1 288.778 3.186 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000371324825 267390896 /nfs/dbraw/zinc/39/08/96/267390896.db2.gz AUSKVXPIWOYEBB-UHFFFAOYSA-N 1 1 295.810 3.438 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000377243853 268059021 /nfs/dbraw/zinc/05/90/21/268059021.db2.gz KEYARRKIEKSKHA-AWEZNQCLSA-N 1 1 283.799 3.355 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)[C@H](C)C1 ZINC000282441353 274080422 /nfs/dbraw/zinc/08/04/22/274080422.db2.gz UMAVDZZJHBWIAP-RISCZKNCSA-N 1 1 283.799 3.353 20 10 CGCDMO CCCOc1ccc(C[N@@H+](C(C)C)[C@H]2CCOC2)c(O)c1 ZINC000291323679 328263153 /nfs/dbraw/zinc/26/31/53/328263153.db2.gz TUXLTVPDHOGSQG-HNNXBMFYSA-N 1 1 293.407 3.180 20 10 CGCDMO C[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1ccc(F)cc1O ZINC000368651629 328939606 /nfs/dbraw/zinc/93/96/06/328939606.db2.gz HUBGKBFDXGVISS-GOPGUHFVSA-N 1 1 293.382 3.387 20 10 CGCDMO CCCC[C@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000291000932 521143057 /nfs/dbraw/zinc/14/30/57/521143057.db2.gz VZFQUPJEXSWAPJ-LBPRGKRZSA-N 1 1 281.396 3.420 20 10 CGCDMO CCC[C@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000290162951 521320684 /nfs/dbraw/zinc/32/06/84/521320684.db2.gz MBTQACWEAABTNZ-INIZCTEOSA-N 1 1 297.826 3.339 20 10 CGCDMO Cc1cc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)on1 ZINC000044986158 524761807 /nfs/dbraw/zinc/76/18/07/524761807.db2.gz KPRRZPBSABKMOR-UHFFFAOYSA-N 1 1 285.391 3.263 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCC1(F)F ZINC000291489168 524985827 /nfs/dbraw/zinc/98/58/27/524985827.db2.gz GJSUIDFXPKRNKU-SECBINFHSA-N 1 1 259.271 3.008 20 10 CGCDMO COc1cccc(C[N@@H+](C)C2CCC(F)(F)CC2)c1O ZINC000290278640 525913561 /nfs/dbraw/zinc/91/35/61/525913561.db2.gz YWIYQLWHBXIYMZ-UHFFFAOYSA-N 1 1 285.334 3.411 20 10 CGCDMO COCCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000732202604 572451664 /nfs/dbraw/zinc/45/16/64/572451664.db2.gz YPYAGIHFUGJQJO-UHFFFAOYSA-N 1 1 275.348 3.024 20 10 CGCDMO Cc1cc(C[NH2+]Cc2cc[nH]n2)c(C)n1-c1cccc(C)c1 ZINC000742370208 572568627 /nfs/dbraw/zinc/56/86/27/572568627.db2.gz WTTIOETUSHKYBI-UHFFFAOYSA-N 1 1 294.402 3.415 20 10 CGCDMO C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1O ZINC000248493085 618167143 /nfs/dbraw/zinc/16/71/43/618167143.db2.gz JUVNBZYJSDYGFY-GMTAPVOTSA-N 1 1 267.344 3.138 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@H](C)[C@H](C)C2)c1O ZINC000093480865 618204394 /nfs/dbraw/zinc/20/43/94/618204394.db2.gz UDKOYKSKEPLTEO-QWHCGFSZSA-N 1 1 263.381 3.269 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)[C@@H]1CCCN(c2ccccc2)C1 ZINC000179577358 618796356 /nfs/dbraw/zinc/79/63/56/618796356.db2.gz ONYJTYKPAUSUAB-GOSISDBHSA-N 1 1 296.414 3.493 20 10 CGCDMO CC[C@H]([NH2+][C@@H](CC)[C@H](O)C(C)C)c1ccc(F)cc1O ZINC000840881668 618861782 /nfs/dbraw/zinc/86/17/82/618861782.db2.gz IRNWRTOKDMTRIU-OFQRWUPVSA-N 1 1 283.387 3.368 20 10 CGCDMO CCN(CC)c1ccc(C[NH2+]Cc2nccn2C2CC2)cc1 ZINC000892614924 618875026 /nfs/dbraw/zinc/87/50/26/618875026.db2.gz OBSROQBRKLNNJX-UHFFFAOYSA-N 1 1 298.434 3.354 20 10 CGCDMO CCCC[N@H+](C)CCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000163500925 618888706 /nfs/dbraw/zinc/88/87/06/618888706.db2.gz ZYSGBSXCAMOJRV-OAHLLOKOSA-N 1 1 277.456 3.135 20 10 CGCDMO CCCC[N@@H+](C)CCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000163500925 618888708 /nfs/dbraw/zinc/88/87/08/618888708.db2.gz ZYSGBSXCAMOJRV-OAHLLOKOSA-N 1 1 277.456 3.135 20 10 CGCDMO CCc1cnc(C[NH2+]Cc2ccc(N(C)C)cc2C)s1 ZINC000784549421 618963277 /nfs/dbraw/zinc/96/32/77/618963277.db2.gz PFXKGXCJTOZCBT-UHFFFAOYSA-N 1 1 289.448 3.370 20 10 CGCDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1O ZINC000179929429 619011426 /nfs/dbraw/zinc/01/14/26/619011426.db2.gz JFLVGHOGHOFDMT-UHFFFAOYSA-N 1 1 270.307 3.035 20 10 CGCDMO COc1ccc(C[N@H+]2CC[C@H](C(C)(C)C)C2)c(O)c1OC ZINC000893531004 619206334 /nfs/dbraw/zinc/20/63/34/619206334.db2.gz GGGXVNSQKYSNBS-ZDUSSCGKSA-N 1 1 293.407 3.277 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)[C@H](C)CCSC)c1O ZINC000894038873 619356140 /nfs/dbraw/zinc/35/61/40/619356140.db2.gz GSBPXBFWTJLHPJ-GFCCVEGCSA-N 1 1 283.437 3.283 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCCC(F)(F)CC1 ZINC000877652905 619414716 /nfs/dbraw/zinc/41/47/16/619414716.db2.gz PUZSSBBGFYDQSR-UHFFFAOYSA-N 1 1 255.308 3.322 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCc3nc[nH]c3C23CCC3)cc1C ZINC000895068093 619708314 /nfs/dbraw/zinc/70/83/14/619708314.db2.gz INLLTFQRHLQEAN-UHFFFAOYSA-N 1 1 297.402 3.170 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCSC[C@@H](C)C2)c1 ZINC000192181156 619762135 /nfs/dbraw/zinc/76/21/35/619762135.db2.gz QAADGMGKZUGIPB-LBPRGKRZSA-N 1 1 265.422 3.194 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@H+]2C[C@@H]3CSC[C@@H]3C2)cc1 ZINC000895780001 619886906 /nfs/dbraw/zinc/88/69/06/619886906.db2.gz ZANIYPCMAUPSHY-SSGMOAHOSA-N 1 1 288.460 3.061 20 10 CGCDMO CS[C@H]1CCC[C@H]([NH2+]Cc2c(O)cccc2F)C1 ZINC000896640058 620041624 /nfs/dbraw/zinc/04/16/24/620041624.db2.gz OQHCHSXGHVXNPT-QWRGUYRKSA-N 1 1 269.385 3.295 20 10 CGCDMO C[C@H](CCc1cccnc1)[NH2+]Cc1c(O)cccc1F ZINC000896638361 620041666 /nfs/dbraw/zinc/04/16/66/620041666.db2.gz AZGKPDFRLWUEIT-GFCCVEGCSA-N 1 1 274.339 3.037 20 10 CGCDMO CCOc1ccc(C[NH2+]Cc2c(O)cccc2F)cc1F ZINC000896637907 620041830 /nfs/dbraw/zinc/04/18/30/620041830.db2.gz RBFJZRIIJOLCBT-UHFFFAOYSA-N 1 1 293.313 3.359 20 10 CGCDMO CC[C@@H](O)CCC[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000796827572 620154105 /nfs/dbraw/zinc/15/41/05/620154105.db2.gz OCOBJMSFSNOZBU-OCCSQVGLSA-N 1 1 269.360 3.123 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccc(F)cc1O ZINC000310979524 620369876 /nfs/dbraw/zinc/36/98/76/620369876.db2.gz QVJZWFGRBCOCAH-PSASIEDQSA-N 1 1 259.271 3.370 20 10 CGCDMO Oc1c(Br)cccc1C[NH2+]Cc1ccco1 ZINC000042411480 620836025 /nfs/dbraw/zinc/83/60/25/620836025.db2.gz WHONUSHLXSASOC-UHFFFAOYSA-N 1 1 282.137 3.038 20 10 CGCDMO C[C@@H]([NH2+]CC1(C2(O)CCC2)CC1)c1cc(F)cc(F)c1O ZINC000903258242 621645071 /nfs/dbraw/zinc/64/50/71/621645071.db2.gz TWBJFFYGVWSTCV-SNVBAGLBSA-N 1 1 297.345 3.016 20 10 CGCDMO Oc1ccc(Cl)cc1CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959937 621837584 /nfs/dbraw/zinc/83/75/84/621837584.db2.gz SGZHRIUDPZZYCX-INIZCTEOSA-N 1 1 294.826 3.011 20 10 CGCDMO C[C@@H](NCC1([NH+](C)C)CCCC1)c1ccc(N(C)C)cc1 ZINC000149425019 622305735 /nfs/dbraw/zinc/30/57/35/622305735.db2.gz LLFBIFGOCXYKHT-OAHLLOKOSA-N 1 1 289.467 3.278 20 10 CGCDMO C[N@@H+](Cc1ccnc(Cl)c1)Cc1ccccc1O ZINC000171927139 623199934 /nfs/dbraw/zinc/19/99/34/623199934.db2.gz XUOIQQKBHVFRAL-UHFFFAOYSA-N 1 1 262.740 3.073 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCS[C@@H](C)[C@H]2C)c1 ZINC000246084502 624249954 /nfs/dbraw/zinc/24/99/54/624249954.db2.gz CDRRZMIQHFHZDY-OLZOCXBDSA-N 1 1 265.422 3.335 20 10 CGCDMO Cc1[nH]c(CSc2ncc(Cl)s2)c(C)[nH+]1 ZINC000918095698 624333276 /nfs/dbraw/zinc/33/32/76/624333276.db2.gz MOIPNBNSZLZLHF-UHFFFAOYSA-N 1 1 259.787 3.429 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](CCO)C2CCCCC2)cc1C ZINC000155127856 624431208 /nfs/dbraw/zinc/43/12/08/624431208.db2.gz RPXOOCQZTHILAX-UHFFFAOYSA-N 1 1 277.408 3.136 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)Cc2ccc(F)cc2)c1 ZINC000179575788 624665916 /nfs/dbraw/zinc/66/59/16/624665916.db2.gz LFVNQVDZZOLACH-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCCC[C@H]2C(C)C)cc1OC ZINC000180276704 624731333 /nfs/dbraw/zinc/73/13/33/624731333.db2.gz ABPSVBAUYWTMLA-AWEZNQCLSA-N 1 1 293.407 3.420 20 10 CGCDMO C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1O ZINC000186210496 625754810 /nfs/dbraw/zinc/75/48/10/625754810.db2.gz JUVNBZYJSDYGFY-MXWKQRLJSA-N 1 1 267.344 3.138 20 10 CGCDMO Oc1cc2c(cc1C[N@@H+](Cc1ccccc1)C1CC1)OCO2 ZINC000073893126 626074753 /nfs/dbraw/zinc/07/47/53/626074753.db2.gz SJCKUAYSGBBXTH-UHFFFAOYSA-N 1 1 297.354 3.286 20 10 CGCDMO CCC[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)OC ZINC000824544125 626171487 /nfs/dbraw/zinc/17/14/87/626171487.db2.gz UKAVEWJPVSEXSG-VIFPVBQESA-N 1 1 275.751 3.089 20 10 CGCDMO CO[C@@H]1C[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C12CCC2 ZINC000839182615 626326176 /nfs/dbraw/zinc/32/61/76/626326176.db2.gz ODXFHBBILPESPN-CHWSQXEVSA-N 1 1 299.773 3.232 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccn(C)n1 ZINC000839191439 626328521 /nfs/dbraw/zinc/32/85/21/626328521.db2.gz POJZUZQVQQRLCM-HNNXBMFYSA-N 1 1 298.434 3.261 20 10 CGCDMO Cc1ccc(CC[N@H+](C)Cc2ccccc2O)cc1 ZINC000124741236 634495989 /nfs/dbraw/zinc/49/59/89/634495989.db2.gz SJRUXFMSPAGNJI-UHFFFAOYSA-N 1 1 255.361 3.375 20 10 CGCDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000754735859 626585542 /nfs/dbraw/zinc/58/55/42/626585542.db2.gz FOSCZYBKXPABHA-JSGCOSHPSA-N 1 1 263.381 3.330 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2CCCCC2)c1 ZINC000756354414 626695278 /nfs/dbraw/zinc/69/52/78/626695278.db2.gz BCZRFNBMHKWYCT-LLVKDONJSA-N 1 1 277.364 3.162 20 10 CGCDMO CC(C)[N@H+](C)CCCN[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756396287 626700693 /nfs/dbraw/zinc/70/06/93/626700693.db2.gz JWBQSLVSTNHJHT-GXTWGEPZSA-N 1 1 294.414 3.400 20 10 CGCDMO CC(C)[N@@H+](C)CCCN[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756396287 626700694 /nfs/dbraw/zinc/70/06/94/626700694.db2.gz JWBQSLVSTNHJHT-GXTWGEPZSA-N 1 1 294.414 3.400 20 10 CGCDMO CC(C)[N@H+](C)CCCN[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756396289 626700903 /nfs/dbraw/zinc/70/09/03/626700903.db2.gz JWBQSLVSTNHJHT-OCCSQVGLSA-N 1 1 294.414 3.400 20 10 CGCDMO CC(C)[N@@H+](C)CCCN[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756396289 626700907 /nfs/dbraw/zinc/70/09/07/626700907.db2.gz JWBQSLVSTNHJHT-OCCSQVGLSA-N 1 1 294.414 3.400 20 10 CGCDMO CC[NH+](CC)C[C@H](C)N[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756536405 626713239 /nfs/dbraw/zinc/71/32/39/626713239.db2.gz VKAUFONCDBLXJZ-DYEKYZERSA-N 1 1 294.414 3.400 20 10 CGCDMO CCC1(O)CCC([NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000756675910 626726755 /nfs/dbraw/zinc/72/67/55/626726755.db2.gz HXSXNGUHHYIVFK-XOMBGVMMSA-N 1 1 281.371 3.266 20 10 CGCDMO Cc1nnc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)s1 ZINC000757637210 626796477 /nfs/dbraw/zinc/79/64/77/626796477.db2.gz GJDFLDVKBSJNEQ-XCBNKYQSSA-N 1 1 293.367 3.029 20 10 CGCDMO C[N@H+](Cc1ccncc1)Cc1c(O)cccc1Cl ZINC000757886178 626812699 /nfs/dbraw/zinc/81/26/99/626812699.db2.gz ACKUFTMSEZWUKS-UHFFFAOYSA-N 1 1 262.740 3.073 20 10 CGCDMO C[N@@H+](Cc1ccncc1)Cc1c(O)cccc1Cl ZINC000757886178 626812703 /nfs/dbraw/zinc/81/27/03/626812703.db2.gz ACKUFTMSEZWUKS-UHFFFAOYSA-N 1 1 262.740 3.073 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000758062179 626824811 /nfs/dbraw/zinc/82/48/11/626824811.db2.gz HETBXATWZFTNTQ-GOSISDBHSA-N 1 1 289.419 3.482 20 10 CGCDMO COc1cccc(C[N@H+]2CCc3cccc(C)c3C2)c1O ZINC000763510452 627161688 /nfs/dbraw/zinc/16/16/88/627161688.db2.gz ZYTMTVDYALFCJS-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](N3CCCC3)[C@H]2C)c1 ZINC000808193011 627175759 /nfs/dbraw/zinc/17/57/59/627175759.db2.gz TZVMMGOUNUEIQU-WBVHZDCISA-N 1 1 288.435 3.068 20 10 CGCDMO Cc1cc(C)c(O)c(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000808193011 627175762 /nfs/dbraw/zinc/17/57/62/627175762.db2.gz TZVMMGOUNUEIQU-WBVHZDCISA-N 1 1 288.435 3.068 20 10 CGCDMO CCCC[N@@H+](CC)Cc1ccc(OCC)cc1O ZINC000768144404 627463035 /nfs/dbraw/zinc/46/30/35/627463035.db2.gz QNYXNCXCSHUHAC-UHFFFAOYSA-N 1 1 251.370 3.413 20 10 CGCDMO COCC[N@@H+](Cc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000768163882 627464897 /nfs/dbraw/zinc/46/48/97/627464897.db2.gz SRQZLFJQDDYHNO-UHFFFAOYSA-N 1 1 298.430 3.401 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2ccc(N(CC)CC)cc2)CCO1 ZINC000768236589 627470063 /nfs/dbraw/zinc/47/00/63/627470063.db2.gz GWEQNZVHRFHXSE-KRWDZBQOSA-N 1 1 276.424 3.144 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H]2CCCO2)cc1F ZINC000768248577 627471100 /nfs/dbraw/zinc/47/11/00/627471100.db2.gz INGINVLHWKVEKY-HNNXBMFYSA-N 1 1 294.414 3.283 20 10 CGCDMO COCC[C@H]1CCCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000768541720 627485534 /nfs/dbraw/zinc/48/55/34/627485534.db2.gz QQPKBKQTAMABBO-MRXNPFEDSA-N 1 1 290.451 3.391 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC[C@H](CC)C2)c(O)c1 ZINC000768844721 627503488 /nfs/dbraw/zinc/50/34/88/627503488.db2.gz CXPOPWAMSBYGIT-ZDUSSCGKSA-N 1 1 263.381 3.413 20 10 CGCDMO CC[N@@H+](CCc1ccccn1)Cc1cc(C)ccc1O ZINC000769036286 627519727 /nfs/dbraw/zinc/51/97/27/627519727.db2.gz KHIGDGBZXWHSJL-UHFFFAOYSA-N 1 1 270.376 3.160 20 10 CGCDMO CCOc1ccc(C[N@@H+](C[C@@H](C)OC)C(C)C)c(O)c1 ZINC000769475287 627557947 /nfs/dbraw/zinc/55/79/47/627557947.db2.gz VVQWHVDOWYYLBF-CYBMUJFWSA-N 1 1 281.396 3.036 20 10 CGCDMO C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1cc(F)cc(F)c1O ZINC000769990666 627595516 /nfs/dbraw/zinc/59/55/16/627595516.db2.gz VVJYNLWLVMLXEA-SDBXPKJASA-N 1 1 299.342 3.116 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000770371575 627615361 /nfs/dbraw/zinc/61/53/61/627615361.db2.gz AUSIVVABFPUVCE-SJORKVTESA-N 1 1 288.435 3.001 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCc3ccccc3C2)c(O)c1 ZINC000771929556 627745677 /nfs/dbraw/zinc/74/56/77/627745677.db2.gz YSWZUKFAPAJNEY-UHFFFAOYSA-N 1 1 283.371 3.349 20 10 CGCDMO CCN(C)c1ccc(CN2CCC[N@H+](C(C)C)CC2)cc1 ZINC000773748539 627910141 /nfs/dbraw/zinc/91/01/41/627910141.db2.gz NBCDHYFQXPKGMD-UHFFFAOYSA-N 1 1 289.467 3.059 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+]2CCCN(C(C)C)CC2)cc1 ZINC000773748539 627910143 /nfs/dbraw/zinc/91/01/43/627910143.db2.gz NBCDHYFQXPKGMD-UHFFFAOYSA-N 1 1 289.467 3.059 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCCN(C(C)C)CC2)cc1 ZINC000773748539 627910147 /nfs/dbraw/zinc/91/01/47/627910147.db2.gz NBCDHYFQXPKGMD-UHFFFAOYSA-N 1 1 289.467 3.059 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N(C)CC)cc2)C[C@@H](C)O1 ZINC000773757865 627912050 /nfs/dbraw/zinc/91/20/50/627912050.db2.gz QSYASQZRSBJPHZ-RHSMWYFYSA-N 1 1 276.424 3.142 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2ccc(N(C)CC)cc2)C[C@@H](C)O1 ZINC000773757864 627912330 /nfs/dbraw/zinc/91/23/30/627912330.db2.gz QSYASQZRSBJPHZ-PBHICJAKSA-N 1 1 276.424 3.142 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000773783753 627915164 /nfs/dbraw/zinc/91/51/64/627915164.db2.gz FGVUJEZMDLSQRY-DLBZAZTESA-N 1 1 288.435 3.001 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@H](COC)C2)cc1 ZINC000773861960 627921043 /nfs/dbraw/zinc/92/10/43/627921043.db2.gz XNYKSSASANJMPK-KRWDZBQOSA-N 1 1 290.451 3.391 20 10 CGCDMO Cc1ccccc1C[N@H+](C)Cc1cc(F)ccc1O ZINC000778992971 628380814 /nfs/dbraw/zinc/38/08/14/628380814.db2.gz NHZWGDXFRWUERQ-UHFFFAOYSA-N 1 1 259.324 3.472 20 10 CGCDMO C[N@@H+](CCCOc1ccccc1)Cc1cc(F)ccc1O ZINC000779000190 628382830 /nfs/dbraw/zinc/38/28/30/628382830.db2.gz RFUOFKYAEASSIP-UHFFFAOYSA-N 1 1 289.350 3.432 20 10 CGCDMO Cc1cc(O)c(C[N@H+](CCN(C)C)C2CCCC2)cc1C ZINC000779173108 628392666 /nfs/dbraw/zinc/39/26/66/628392666.db2.gz AQSFUSIPHHCHOH-UHFFFAOYSA-N 1 1 290.451 3.315 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2nnc(C)s2)cc1 ZINC000780743052 628513130 /nfs/dbraw/zinc/51/31/30/628513130.db2.gz FXYGKZOETDUKBZ-LLVKDONJSA-N 1 1 290.436 3.153 20 10 CGCDMO Cc1oncc1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000782481992 628649426 /nfs/dbraw/zinc/64/94/26/628649426.db2.gz IDLBRPRRXFYKSU-UHFFFAOYSA-N 1 1 285.391 3.214 20 10 CGCDMO CCC[N@H+](Cc1nnc(CC)s1)Cc1ccccc1O ZINC000784163499 628789494 /nfs/dbraw/zinc/78/94/94/628789494.db2.gz OWCJYADDSDZQBY-UHFFFAOYSA-N 1 1 291.420 3.218 20 10 CGCDMO CCC[N@@H+](Cc1nnc(CC)s1)Cc1ccccc1O ZINC000784163499 628789496 /nfs/dbraw/zinc/78/94/96/628789496.db2.gz OWCJYADDSDZQBY-UHFFFAOYSA-N 1 1 291.420 3.218 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](C)[C@H](OC)C2)cc1 ZINC000784669256 628828550 /nfs/dbraw/zinc/82/85/50/628828550.db2.gz YWOYGZVATDSVMA-MAUKXSAKSA-N 1 1 290.451 3.390 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2cc(C)c(C)cc2O)nc1 ZINC000789595543 629149458 /nfs/dbraw/zinc/14/94/58/629149458.db2.gz VIYQTFTZYFGRIA-UHFFFAOYSA-N 1 1 270.376 3.344 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCSC1 ZINC000790486700 629212750 /nfs/dbraw/zinc/21/27/50/629212750.db2.gz ZHYVUQXEGVZHBT-MRVPVSSYSA-N 1 1 275.776 3.027 20 10 CGCDMO CC(C)([NH2+]Cc1c(O)ccc(Cl)c1F)C1CC1 ZINC000790974824 629241382 /nfs/dbraw/zinc/24/13/82/629241382.db2.gz XLKRBZVWONQYCB-UHFFFAOYSA-N 1 1 257.736 3.463 20 10 CGCDMO CO[C@H]1C[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1(C)C ZINC000790972021 629244983 /nfs/dbraw/zinc/24/49/83/629244983.db2.gz BQIKKOJADRSJRZ-NEPJUHHUSA-N 1 1 287.762 3.088 20 10 CGCDMO Oc1ccc([C@@H]2CC[N@@H+](Cc3ccccc3O)C2)cc1 ZINC000862540668 629395715 /nfs/dbraw/zinc/39/57/15/629395715.db2.gz JAKNHYISKOHDQO-CQSZACIVSA-N 1 1 269.344 3.087 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH+]2[C@H](C)C[C@H]2C)c1 ZINC000793227276 629431889 /nfs/dbraw/zinc/43/18/89/629431889.db2.gz AXVFAKPPAITRJT-NXEZZACHSA-N 1 1 284.197 3.446 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c1O ZINC000793610718 629490161 /nfs/dbraw/zinc/49/01/61/629490161.db2.gz WTSQEKXVVCJHLD-GJZGRUSLSA-N 1 1 295.810 3.497 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000793744069 629499683 /nfs/dbraw/zinc/49/96/83/629499683.db2.gz QHUBGIQJILYUMX-QGZVFWFLSA-N 1 1 289.419 3.258 20 10 CGCDMO Cc1cc(C[N@@H+](Cc2ccccc2O)C2CCCC2)ncn1 ZINC000794377756 629537544 /nfs/dbraw/zinc/53/75/44/629537544.db2.gz YHGXEVNPKSMHCE-UHFFFAOYSA-N 1 1 297.402 3.435 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c1 ZINC000794656279 629563526 /nfs/dbraw/zinc/56/35/26/629563526.db2.gz SRVHAIWJMGNHLF-CJNGLKHVSA-N 1 1 275.392 3.008 20 10 CGCDMO COc1ccc(OCCC[N@H+](C)c2ccc(N)cc2)cc1 ZINC000863557203 629605636 /nfs/dbraw/zinc/60/56/36/629605636.db2.gz JPCYJBNWZLFOJK-UHFFFAOYSA-N 1 1 286.375 3.183 20 10 CGCDMO COc1ccc(OCCC[N@@H+](C)c2ccc(N)cc2)cc1 ZINC000863557203 629605638 /nfs/dbraw/zinc/60/56/38/629605638.db2.gz JPCYJBNWZLFOJK-UHFFFAOYSA-N 1 1 286.375 3.183 20 10 CGCDMO CCOC1CC2(C1)CC[N@@H+](Cc1cc(C)cc(C)c1O)C2 ZINC000795721785 629712668 /nfs/dbraw/zinc/71/26/68/629712668.db2.gz VMOIACVVIFPODR-UHFFFAOYSA-N 1 1 289.419 3.400 20 10 CGCDMO CC[C@H]([NH2+]Cc1cccnc1OC)c1ccc(F)cc1O ZINC000796691352 629816132 /nfs/dbraw/zinc/81/61/32/629816132.db2.gz BRJGGCRYZXCZAN-AWEZNQCLSA-N 1 1 290.338 3.176 20 10 CGCDMO CC[C@@H]([NH2+]CCN1CCC[C@H](C)C1)c1ccc(F)cc1O ZINC000796696836 629816389 /nfs/dbraw/zinc/81/63/89/629816389.db2.gz VSQFUJJJKSPYDL-XJKSGUPXSA-N 1 1 294.414 3.304 20 10 CGCDMO CC[C@H]([NH2+]Cc1ccccc1CO)c1ccc(F)cc1O ZINC000796699855 629816793 /nfs/dbraw/zinc/81/67/93/629816793.db2.gz BCBUZCRWASSMFH-INIZCTEOSA-N 1 1 289.350 3.265 20 10 CGCDMO CC[C@H]([NH2+][C@H]1C[C@@H](OC)C1(C)C)c1ccc(F)cc1O ZINC000796794885 629836073 /nfs/dbraw/zinc/83/60/73/629836073.db2.gz XVZGMDNNPACNQH-AEGPPILISA-N 1 1 281.371 3.386 20 10 CGCDMO CC[C@@H]([NH2+]CCOC1CCC1)c1ccc(F)cc1O ZINC000796889431 629853656 /nfs/dbraw/zinc/85/36/56/629853656.db2.gz OFHKPJTZHSWPIH-CQSZACIVSA-N 1 1 267.344 3.141 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)CCCO)c1cccc(C(F)(F)F)c1O ZINC000798181474 630030620 /nfs/dbraw/zinc/03/06/20/630030620.db2.gz KLXRXLIBVLVXOX-VHSXEESVSA-N 1 1 291.313 3.223 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H](C)COC ZINC000802657699 630403856 /nfs/dbraw/zinc/40/38/56/630403856.db2.gz NVPHMQJCUTZLNM-CQSZACIVSA-N 1 1 265.397 3.277 20 10 CGCDMO Cc1c[nH+]ccc1NCc1cc(Cl)cc(Cl)c1O ZINC000808089833 630622177 /nfs/dbraw/zinc/62/21/77/630622177.db2.gz LDFMVSWVGVAAPU-UHFFFAOYSA-N 1 1 283.158 3.436 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](N3CCCC3)[C@@H]2C)c1 ZINC000808193002 630630808 /nfs/dbraw/zinc/63/08/08/630630808.db2.gz TZVMMGOUNUEIQU-DOTOQJQBSA-N 1 1 288.435 3.068 20 10 CGCDMO Cc1cc(C)c(O)c(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000808193002 630630809 /nfs/dbraw/zinc/63/08/09/630630809.db2.gz TZVMMGOUNUEIQU-DOTOQJQBSA-N 1 1 288.435 3.068 20 10 CGCDMO Cc1cnn(C)c1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000809575156 630752117 /nfs/dbraw/zinc/75/21/17/630752117.db2.gz ZRIIISYMJRCCPE-UHFFFAOYSA-N 1 1 299.418 3.379 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCOc2ccc(C)cc2C1 ZINC000809703344 630787147 /nfs/dbraw/zinc/78/71/47/630787147.db2.gz IXHNDVMBQJZGGD-UHFFFAOYSA-N 1 1 299.370 3.104 20 10 CGCDMO Cc1cccc(C[N@H+](CCN(C)C)Cc2ccccc2)c1O ZINC000809728359 630794011 /nfs/dbraw/zinc/79/40/11/630794011.db2.gz UMULZPWJUYIEFE-UHFFFAOYSA-N 1 1 298.430 3.264 20 10 CGCDMO Cc1cccc(C[N@@H+](CCN(C)C)Cc2ccccc2)c1O ZINC000809728359 630794024 /nfs/dbraw/zinc/79/40/24/630794024.db2.gz UMULZPWJUYIEFE-UHFFFAOYSA-N 1 1 298.430 3.264 20 10 CGCDMO CCOC1CC([N@H+](C)Cc2c(O)ccc(Cl)c2F)C1 ZINC000809774695 630804234 /nfs/dbraw/zinc/80/42/34/630804234.db2.gz XGYVVXMSLMVNSZ-UHFFFAOYSA-N 1 1 287.762 3.184 20 10 CGCDMO CCOC1CC([N@@H+](C)Cc2c(O)ccc(Cl)c2F)C1 ZINC000809774695 630804236 /nfs/dbraw/zinc/80/42/36/630804236.db2.gz XGYVVXMSLMVNSZ-UHFFFAOYSA-N 1 1 287.762 3.184 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000809786642 630808600 /nfs/dbraw/zinc/80/86/00/630808600.db2.gz HQCXNFJJRAQHRE-ZDUSSCGKSA-N 1 1 261.365 3.023 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1 ZINC000810026971 630830499 /nfs/dbraw/zinc/83/04/99/630830499.db2.gz IHXYRTFNRVLWHS-SJORKVTESA-N 1 1 288.435 3.142 20 10 CGCDMO CC1(C)C[N@@H+](Cc2c(O)cccc2Cl)[C@@H]1[C@@H]1CCCO1 ZINC000811511061 631080839 /nfs/dbraw/zinc/08/08/39/631080839.db2.gz SZEXZVHMRFKNJU-LSDHHAIUSA-N 1 1 295.810 3.435 20 10 CGCDMO COc1ccccc1C[N@@H+](C)Cc1ccc(C)cc1O ZINC000876533181 634852213 /nfs/dbraw/zinc/85/22/13/634852213.db2.gz PJHTVLMUCJCJGY-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO Cc1cc(C[N@@H+]2CC[C@H](OCC(C)C)C2)ccc1N(C)C ZINC000815060930 631708583 /nfs/dbraw/zinc/70/85/83/631708583.db2.gz GNUIXOYNFAIQGB-KRWDZBQOSA-N 1 1 290.451 3.308 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@@H](C(F)F)C2)ccc1N(C)C ZINC000815079799 631712481 /nfs/dbraw/zinc/71/24/81/631712481.db2.gz WOVZKCONHZNPHV-CYBMUJFWSA-N 1 1 268.351 3.148 20 10 CGCDMO Cc1cc(C[N@@H+]2CCSC[C@H](C)C2)ccc1N(C)C ZINC000815102560 631717432 /nfs/dbraw/zinc/71/74/32/631717432.db2.gz QCARSMYHFXWKSG-CYBMUJFWSA-N 1 1 278.465 3.246 20 10 CGCDMO C[C@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1ccc(F)cc1O ZINC000815648013 631812460 /nfs/dbraw/zinc/81/24/60/631812460.db2.gz BROZZJWETGHGJR-JSGCOSHPSA-N 1 1 295.398 3.371 20 10 CGCDMO CC(C)CN1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816481779 631989675 /nfs/dbraw/zinc/98/96/75/631989675.db2.gz IPQIPGCHVHICSN-UHFFFAOYSA-N 1 1 298.430 3.319 20 10 CGCDMO C[C@@H]1C[NH+](Cc2cc(Cl)c(F)cc2O)C[C@H]1C ZINC000816513175 632000316 /nfs/dbraw/zinc/00/03/16/632000316.db2.gz IRXLRDMGNWSJTC-RKDXNWHRSA-N 1 1 257.736 3.273 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000816520687 632002909 /nfs/dbraw/zinc/00/29/09/632002909.db2.gz VPSSOJIKSDLCGT-IINYFYTJSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000816520687 632002914 /nfs/dbraw/zinc/00/29/14/632002914.db2.gz VPSSOJIKSDLCGT-IINYFYTJSA-N 1 1 299.773 3.186 20 10 CGCDMO C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000816538842 632006248 /nfs/dbraw/zinc/00/62/48/632006248.db2.gz JINBPQAAVZLJHQ-QMMMGPOBSA-N 1 1 257.736 3.320 20 10 CGCDMO CCC(CC)[C@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816552029 632008635 /nfs/dbraw/zinc/00/86/35/632008635.db2.gz YVPGTCFAOSBARX-CQSZACIVSA-N 1 1 289.778 3.071 20 10 CGCDMO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@@H]1CCCOC1 ZINC000816566013 632015196 /nfs/dbraw/zinc/01/51/96/632015196.db2.gz IUURDUYQBJYOEL-VHSXEESVSA-N 1 1 287.762 3.089 20 10 CGCDMO Oc1c(C[N@@H+]2CCO[C@@H](C(F)F)C2)ccc2ccccc21 ZINC000816600330 632021280 /nfs/dbraw/zinc/02/12/80/632021280.db2.gz TVWSRSCRDXMWRA-CQSZACIVSA-N 1 1 293.313 3.011 20 10 CGCDMO Oc1c(C[N@H+]2CCO[C@@H](C(F)F)C2)ccc2ccccc21 ZINC000816600330 632021283 /nfs/dbraw/zinc/02/12/83/632021283.db2.gz TVWSRSCRDXMWRA-CQSZACIVSA-N 1 1 293.313 3.011 20 10 CGCDMO CC1=CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816598935 632021995 /nfs/dbraw/zinc/02/19/95/632021995.db2.gz VYUYMNMCAWAIRO-UHFFFAOYSA-N 1 1 255.720 3.337 20 10 CGCDMO CC1=CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816598935 632022001 /nfs/dbraw/zinc/02/20/01/632022001.db2.gz VYUYMNMCAWAIRO-UHFFFAOYSA-N 1 1 255.720 3.337 20 10 CGCDMO CC(C)C[C@@H](CO)[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816612565 632023339 /nfs/dbraw/zinc/02/33/39/632023339.db2.gz SFWLHSSEDFTVAC-NSHDSACASA-N 1 1 289.778 3.024 20 10 CGCDMO CC(C)C[C@@H](CO)[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816612565 632023345 /nfs/dbraw/zinc/02/33/45/632023345.db2.gz SFWLHSSEDFTVAC-NSHDSACASA-N 1 1 289.778 3.024 20 10 CGCDMO C[N@H+](CCN1CCCC1)Cc1ccc2ccccc2c1O ZINC000816610817 632023713 /nfs/dbraw/zinc/02/37/13/632023713.db2.gz ZQPJXADKVYIINQ-UHFFFAOYSA-N 1 1 284.403 3.073 20 10 CGCDMO C[N@@H+](CCN1CCCC1)Cc1ccc2ccccc2c1O ZINC000816610817 632023720 /nfs/dbraw/zinc/02/37/20/632023720.db2.gz ZQPJXADKVYIINQ-UHFFFAOYSA-N 1 1 284.403 3.073 20 10 CGCDMO C[N@@H+](Cc1cc(F)ccc1O)C1CC(OC(C)(C)C)C1 ZINC000817416128 632146194 /nfs/dbraw/zinc/14/61/94/632146194.db2.gz KAHVDONAWWZJGK-UHFFFAOYSA-N 1 1 281.371 3.309 20 10 CGCDMO [NH3+][C@@H]1CCCCC[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC000817897759 632232030 /nfs/dbraw/zinc/23/20/30/632232030.db2.gz AGLSGNNJIDTIKU-MSOLQXFVSA-N 1 1 287.451 3.036 20 10 CGCDMO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000817897759 632232034 /nfs/dbraw/zinc/23/20/34/632232034.db2.gz AGLSGNNJIDTIKU-MSOLQXFVSA-N 1 1 287.451 3.036 20 10 CGCDMO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1 ZINC000817938074 632238049 /nfs/dbraw/zinc/23/80/49/632238049.db2.gz CUVGQCQCANHMHO-RDTXWAMCSA-N 1 1 283.419 3.103 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817945213 632241644 /nfs/dbraw/zinc/24/16/44/632241644.db2.gz XGGXQGKPIQQCHE-KWQFWETISA-N 1 1 289.206 3.102 20 10 CGCDMO C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817958239 632253989 /nfs/dbraw/zinc/25/39/89/632253989.db2.gz UKYFZCSKPRKOAW-RYUDHWBXSA-N 1 1 282.815 3.086 20 10 CGCDMO C[C@H](N[C@H](C[NH3+])C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000817960593 632255807 /nfs/dbraw/zinc/25/58/07/632255807.db2.gz OAPNFNNBXFGDMZ-KBXCAEBGSA-N 1 1 287.451 3.065 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817960746 632255962 /nfs/dbraw/zinc/25/59/62/632255962.db2.gz QYQCWMGZYZLLRM-KRTXAFLBSA-N 1 1 289.206 3.087 20 10 CGCDMO C[C@@H]([NH3+])[C@@H](C)N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817977414 632268825 /nfs/dbraw/zinc/26/88/25/632268825.db2.gz JXKAGNRYEMMINW-OAGGEKHMSA-N 1 1 289.467 3.453 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCCC23CC3)c1 ZINC000866411124 633127295 /nfs/dbraw/zinc/12/72/95/633127295.db2.gz CWOCLKKBKVRYKG-NHYWBVRUSA-N 1 1 289.375 3.162 20 10 CGCDMO CC[C@H]([NH2+]CCC(C)(C)OC)c1ccc(F)cc1O ZINC000866505997 633166071 /nfs/dbraw/zinc/16/60/71/633166071.db2.gz YTXLEEBTWRNXIE-ZDUSSCGKSA-N 1 1 269.360 3.387 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCCn2nccc21)c1cc(F)cc(F)c1O ZINC000866634935 633223599 /nfs/dbraw/zinc/22/35/99/633223599.db2.gz VWDFWBOVVQWTSN-ZANVPECISA-N 1 1 293.317 3.053 20 10 CGCDMO CC(C)[N@@H+](Cc1ccc(N2CCCCC2)cc1)C1COC1 ZINC000824471882 633248751 /nfs/dbraw/zinc/24/87/51/633248751.db2.gz IHBORIMVMNEHMA-UHFFFAOYSA-N 1 1 288.435 3.286 20 10 CGCDMO c1cn2c(n1)[C@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000824521113 633253029 /nfs/dbraw/zinc/25/30/29/633253029.db2.gz FXUKXBVPHGJBFZ-QGZVFWFLSA-N 1 1 296.418 3.108 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)[C@H]2CCSC2)cc1Cl ZINC000824556399 633259099 /nfs/dbraw/zinc/25/90/99/633259099.db2.gz RGVKLLQIAIBVBU-NSHDSACASA-N 1 1 271.813 3.291 20 10 CGCDMO CS[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000824683485 633272031 /nfs/dbraw/zinc/27/20/31/633272031.db2.gz LNRYXJFEKVSSKG-AWEZNQCLSA-N 1 1 273.401 3.483 20 10 CGCDMO CCn1ccnc1[C@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000825005344 633316951 /nfs/dbraw/zinc/31/69/51/633316951.db2.gz HXQGHKRGRBAXQH-JTQLQIEISA-N 1 1 279.771 3.113 20 10 CGCDMO COC[C@H]1CCCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000825293960 633342461 /nfs/dbraw/zinc/34/24/61/633342461.db2.gz FWBZGRYXGYNDIK-OAHLLOKOSA-N 1 1 263.381 3.010 20 10 CGCDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccc3ccccc3c2O)C1 ZINC000825337482 633346958 /nfs/dbraw/zinc/34/69/58/633346958.db2.gz GSSNXTRYFHYBOQ-QGZVFWFLSA-N 1 1 298.430 3.460 20 10 CGCDMO CC(C)N1CC[C@@H]([N@H+](C)Cc2ccc3ccccc3c2O)C1 ZINC000825337482 633346961 /nfs/dbraw/zinc/34/69/61/633346961.db2.gz GSSNXTRYFHYBOQ-QGZVFWFLSA-N 1 1 298.430 3.460 20 10 CGCDMO CC(C)N1CC[C@@H]([N@@H+](C)Cc2ccc3ccccc3c2O)C1 ZINC000825337482 633346962 /nfs/dbraw/zinc/34/69/62/633346962.db2.gz GSSNXTRYFHYBOQ-QGZVFWFLSA-N 1 1 298.430 3.460 20 10 CGCDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc(Br)cc1O ZINC000825738556 633379472 /nfs/dbraw/zinc/37/94/72/633379472.db2.gz PRSLFANKNPWKPL-DTORHVGOSA-N 1 1 270.170 3.137 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c1O ZINC000827371170 633486232 /nfs/dbraw/zinc/48/62/32/633486232.db2.gz QRNSQBBAXPIQFC-NEPJUHHUSA-N 1 1 283.799 3.353 20 10 CGCDMO C[N@@H+](CC1=CCSC1)Cc1cccc(Cl)c1[O-] ZINC000827805024 633518684 /nfs/dbraw/zinc/51/86/84/633518684.db2.gz DSTDTTBRVJMQJR-UHFFFAOYSA-N 1 1 269.797 3.151 20 10 CGCDMO Cc1cccc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1O ZINC000827849183 633525436 /nfs/dbraw/zinc/52/54/36/633525436.db2.gz CNXJIPZMRDNDRR-HDICACEKSA-N 1 1 287.403 3.093 20 10 CGCDMO COc1cc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)c(O)cc1C ZINC000872713154 634193545 /nfs/dbraw/zinc/19/35/45/634193545.db2.gz LABSIZCDLCQWFJ-OKILXGFUSA-N 1 1 273.376 3.107 20 10 CGCDMO Cc1cc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)ccn1 ZINC000834859643 634257877 /nfs/dbraw/zinc/25/78/77/634257877.db2.gz HBDXXHGBBJTSLE-JTQLQIEISA-N 1 1 278.302 3.225 20 10 CGCDMO CC[C@H]([NH2+]C[C@@](C)(CC)OC)c1ccc(F)cc1O ZINC000834882983 634265189 /nfs/dbraw/zinc/26/51/89/634265189.db2.gz WSVTZWGNCRJPOP-DZGCQCFKSA-N 1 1 269.360 3.387 20 10 CGCDMO CCc1nc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)co1 ZINC000834898160 634274312 /nfs/dbraw/zinc/27/43/12/634274312.db2.gz JSCVAQJCZJJHOE-SECBINFHSA-N 1 1 280.755 3.447 20 10 CGCDMO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000834897283 634274467 /nfs/dbraw/zinc/27/44/67/634274467.db2.gz ZNRCHWZKFYQEQG-QWRGUYRKSA-N 1 1 277.343 3.160 20 10 CGCDMO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ncccc2OC)cc1 ZINC000834905441 634282207 /nfs/dbraw/zinc/28/22/07/634282207.db2.gz HLJISXMMYNZNSJ-AWEZNQCLSA-N 1 1 299.418 3.397 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+](CCO)CC(C)(C)C)cc1 ZINC000835024911 634324195 /nfs/dbraw/zinc/32/41/95/634324195.db2.gz AVGZMFCECYGMGM-SREVYHEPSA-N 1 1 290.451 3.106 20 10 CGCDMO CCC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CC(C)(C)O ZINC000835027299 634325380 /nfs/dbraw/zinc/32/53/80/634325380.db2.gz KSTOVFVAAFZKGA-BQYQJAHWSA-N 1 1 290.451 3.249 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)CCOCC2CC2)cc1 ZINC000835027416 634325577 /nfs/dbraw/zinc/32/55/77/634325577.db2.gz DJFLMMSULCBXFW-PLNGDYQASA-N 1 1 288.435 3.124 20 10 CGCDMO C[C@H]1CSCC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835048371 634334438 /nfs/dbraw/zinc/33/44/38/634334438.db2.gz HNWMBUSBJDFSBG-MBVDDHJVSA-N 1 1 290.476 3.451 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@H]2C2CC2)cc1 ZINC000835053948 634337869 /nfs/dbraw/zinc/33/78/69/634337869.db2.gz GDUNFAMOJMVDIK-LIMHQNJXSA-N 1 1 256.393 3.250 20 10 CGCDMO CC(C)N(CC[NH2+]Cc1cc(Cl)ccc1O)C(C)C ZINC000019901094 634364184 /nfs/dbraw/zinc/36/41/84/634364184.db2.gz IUXONTDJAMAJCJ-UHFFFAOYSA-N 1 1 284.831 3.254 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000876771638 634897125 /nfs/dbraw/zinc/89/71/25/634897125.db2.gz VSTQQMMLNVRELV-KRWDZBQOSA-N 1 1 283.371 3.274 20 10 CGCDMO Clc1csc(C[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000876996120 634946629 /nfs/dbraw/zinc/94/66/29/634946629.db2.gz PKCDKKFXNYSEKY-UHFFFAOYSA-N 1 1 280.780 3.021 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[NH2+]Cc1nc(Cl)cs1 ZINC000877030489 634955553 /nfs/dbraw/zinc/95/55/53/634955553.db2.gz DENANEPWKBCHHF-UHFFFAOYSA-N 1 1 295.839 3.461 20 10 CGCDMO Cc1ccc(C[N@@H+](CCO)Cc2ccc(C)cc2O)cc1 ZINC000877197107 635013137 /nfs/dbraw/zinc/01/31/37/635013137.db2.gz ORIBXUMATXJJGH-UHFFFAOYSA-N 1 1 285.387 3.004 20 10 CGCDMO CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O)C1CC1 ZINC000840860577 635067161 /nfs/dbraw/zinc/06/71/61/635067161.db2.gz VXIRKCTVHAKDEB-USBNGQNGSA-N 1 1 281.371 3.386 20 10 CGCDMO CC[N@@H+](Cc1ccncc1)Cc1c(C)cccc1O ZINC000877523710 635070717 /nfs/dbraw/zinc/07/07/17/635070717.db2.gz MESNFBXBIMZGFJ-UHFFFAOYSA-N 1 1 256.349 3.118 20 10 CGCDMO CSC[C@H]1CCC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000877547571 635082603 /nfs/dbraw/zinc/08/26/03/635082603.db2.gz BIPNBIGQWRWTAM-ZDUSSCGKSA-N 1 1 265.422 3.276 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c(Cl)c1 ZINC000840917752 635083114 /nfs/dbraw/zinc/08/31/14/635083114.db2.gz MEABOKBMVOQSMQ-VXGBXAGGSA-N 1 1 283.799 3.089 20 10 CGCDMO COC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1ccco1 ZINC000840935431 635084757 /nfs/dbraw/zinc/08/47/57/635084757.db2.gz PEIPXAPLDRMZCG-MRXNPFEDSA-N 1 1 288.391 3.131 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1ccccn1 ZINC000840940213 635087303 /nfs/dbraw/zinc/08/73/03/635087303.db2.gz WYNXKEKMVMEROH-UHFFFAOYSA-N 1 1 269.392 3.088 20 10 CGCDMO CC(C)[C@@H]1[N@@H+](Cc2ccccc2O)CC12CCOCC2 ZINC000840969786 635097410 /nfs/dbraw/zinc/09/74/10/635097410.db2.gz MVWQBBYGJGLUTB-INIZCTEOSA-N 1 1 275.392 3.029 20 10 CGCDMO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](C)CN)cc1 ZINC000841060632 635116763 /nfs/dbraw/zinc/11/67/63/635116763.db2.gz OLZFZWQECDGEOE-MRXNPFEDSA-N 1 1 297.446 3.150 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000841088532 635119745 /nfs/dbraw/zinc/11/97/45/635119745.db2.gz YZYHVKYWKXSMMA-IUODEOHRSA-N 1 1 294.826 3.010 20 10 CGCDMO Oc1ccc(Cl)cc1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000841088532 635119747 /nfs/dbraw/zinc/11/97/47/635119747.db2.gz YZYHVKYWKXSMMA-IUODEOHRSA-N 1 1 294.826 3.010 20 10 CGCDMO [O-]c1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000841088532 635119749 /nfs/dbraw/zinc/11/97/49/635119749.db2.gz YZYHVKYWKXSMMA-IUODEOHRSA-N 1 1 294.826 3.010 20 10 CGCDMO [O-]c1ccc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000841088532 635119750 /nfs/dbraw/zinc/11/97/50/635119750.db2.gz YZYHVKYWKXSMMA-IUODEOHRSA-N 1 1 294.826 3.010 20 10 CGCDMO CCC1([NH+]2CCCC2)CCN(Cc2ccccc2O)CC1 ZINC000877673613 635140690 /nfs/dbraw/zinc/14/06/90/635140690.db2.gz HOVXLOKUCMAFDU-UHFFFAOYSA-N 1 1 288.435 3.233 20 10 CGCDMO CC(C)C[N@@H+](Cc1ccccc1[O-])CC1CC[NH+](C)CC1 ZINC000877767883 635194570 /nfs/dbraw/zinc/19/45/70/635194570.db2.gz XZEBDPUPSRAJIF-UHFFFAOYSA-N 1 1 290.451 3.192 20 10 CGCDMO CC(C)C[N@H+](Cc1ccccc1[O-])CC1CC[NH+](C)CC1 ZINC000877767883 635194573 /nfs/dbraw/zinc/19/45/73/635194573.db2.gz XZEBDPUPSRAJIF-UHFFFAOYSA-N 1 1 290.451 3.192 20 10 CGCDMO CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841744766 635221597 /nfs/dbraw/zinc/22/15/97/635221597.db2.gz SQXKTFJQSKXWBA-WCQYABFASA-N 1 1 282.815 3.181 20 10 CGCDMO C[C@H]([NH2+]CCCc1cnn(C)c1)c1ccc(Cl)cc1O ZINC000841746399 635221731 /nfs/dbraw/zinc/22/17/31/635221731.db2.gz GEIWCRFEVJSKFD-NSHDSACASA-N 1 1 293.798 3.063 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(Cl)cc1O ZINC000841747942 635224175 /nfs/dbraw/zinc/22/41/75/635224175.db2.gz FSGMJMXXIOEKEL-CKYFFXLPSA-N 1 1 269.772 3.264 20 10 CGCDMO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841754868 635229017 /nfs/dbraw/zinc/22/90/17/635229017.db2.gz MWOWFAPDOWAZPS-NTZNESFSSA-N 1 1 285.815 3.493 20 10 CGCDMO CCC[N@@H+](CC[C@H](O)C(C)C)Cc1ccccc1O ZINC000878150640 635379735 /nfs/dbraw/zinc/37/97/35/635379735.db2.gz GQLZMHGRXIYFPF-HNNXBMFYSA-N 1 1 265.397 3.011 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1C ZINC000842612574 635418372 /nfs/dbraw/zinc/41/83/72/635418372.db2.gz JVQIVKQHIDVVKM-NVXWUHKLSA-N 1 1 289.419 3.400 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](OC(C)C)C2)cc1C ZINC000842613340 635418525 /nfs/dbraw/zinc/41/85/25/635418525.db2.gz ZBOLEYCPNFRKPU-OAHLLOKOSA-N 1 1 263.381 3.008 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc2n(n1)CCCC2 ZINC000842837306 635490568 /nfs/dbraw/zinc/49/05/68/635490568.db2.gz ONNHEXVBFOLEHF-ZDUSSCGKSA-N 1 1 297.402 3.005 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000842928524 635515023 /nfs/dbraw/zinc/51/50/23/635515023.db2.gz JAJLRWCTOTYVIW-OIMNJJJWSA-N 1 1 289.375 3.018 20 10 CGCDMO Cc1cc(Cl)cc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1O ZINC000843047380 635549470 /nfs/dbraw/zinc/54/94/70/635549470.db2.gz SQAUVGSDRIDDMZ-YIONKMFJSA-N 1 1 294.826 3.069 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000843428248 635672550 /nfs/dbraw/zinc/67/25/50/635672550.db2.gz DWFICLQDNLMFHD-GOSISDBHSA-N 1 1 288.435 3.062 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CC2(CCCC2)O1 ZINC000843435695 635676671 /nfs/dbraw/zinc/67/66/71/635676671.db2.gz XJADPRPNQPBVJD-GFCCVEGCSA-N 1 1 279.355 3.065 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1nc(C2CC2)no1 ZINC000879651736 635828597 /nfs/dbraw/zinc/82/85/97/635828597.db2.gz IUZCFWKHDWOGBT-VHSXEESVSA-N 1 1 273.336 3.064 20 10 CGCDMO COc1ccc(N(C)CC[N@@H+](C)[C@@H](C)c2ccncc2)cc1 ZINC000844400626 635890435 /nfs/dbraw/zinc/89/04/35/635890435.db2.gz DTMKAUVRXWWFEU-HNNXBMFYSA-N 1 1 299.418 3.219 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](OC(C)C)C2)c1O ZINC000844718302 635956691 /nfs/dbraw/zinc/95/66/91/635956691.db2.gz GMPIATAITOJCES-OAHLLOKOSA-N 1 1 293.407 3.099 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H](OC(C)C)C2)c1 ZINC000844718234 635956811 /nfs/dbraw/zinc/95/68/11/635956811.db2.gz DMNSFQFWJCRZBZ-INIZCTEOSA-N 1 1 277.408 3.398 20 10 CGCDMO Cc1oncc1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000129060815 636124511 /nfs/dbraw/zinc/12/45/11/636124511.db2.gz WLFBXLNZFABJIQ-UHFFFAOYSA-N 1 1 298.342 3.484 20 10 CGCDMO Cc1oncc1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000129060815 636124513 /nfs/dbraw/zinc/12/45/13/636124513.db2.gz WLFBXLNZFABJIQ-UHFFFAOYSA-N 1 1 298.342 3.484 20 10 CGCDMO C[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1ccc(F)cc1O ZINC000846186746 636156267 /nfs/dbraw/zinc/15/62/67/636156267.db2.gz FTJPVROQYJDRDB-GTNSWQLSSA-N 1 1 293.382 3.387 20 10 CGCDMO COc1ccc(CC[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000882877740 636443689 /nfs/dbraw/zinc/44/36/89/636443689.db2.gz CGOYSXUNFUSYCV-UHFFFAOYSA-N 1 1 293.313 3.011 20 10 CGCDMO CCOCCC1(C[NH2+]Cc2cc(F)cc(F)c2O)CCC1 ZINC000883048564 636521265 /nfs/dbraw/zinc/52/12/65/636521265.db2.gz QXCZVGUMHUBJGJ-UHFFFAOYSA-N 1 1 299.361 3.357 20 10 CGCDMO Cc1cnc(CC[NH2+][C@@H](C)c2ccc(F)cc2O)c(C)c1 ZINC000848560025 636605543 /nfs/dbraw/zinc/60/55/43/636605543.db2.gz JEMVZKVDVWPEHH-ZDUSSCGKSA-N 1 1 288.366 3.436 20 10 CGCDMO C[C@@H]([NH2+]CCc1ccns1)c1cc(F)cc(F)c1O ZINC000883247462 636615783 /nfs/dbraw/zinc/61/57/83/636615783.db2.gz KVRCYXZAMUUUKE-MRVPVSSYSA-N 1 1 284.331 3.020 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@H]2CSC)c1O ZINC000848890815 636678061 /nfs/dbraw/zinc/67/80/61/636678061.db2.gz VBINCRPAGACNEY-CQSZACIVSA-N 1 1 265.422 3.282 20 10 CGCDMO CCc1cccc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1O ZINC000848912877 636687654 /nfs/dbraw/zinc/68/76/54/636687654.db2.gz LEZSKIJSSSTVMM-RDJZCZTQSA-N 1 1 289.419 3.344 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)c1O ZINC000848925120 636697119 /nfs/dbraw/zinc/69/71/19/636697119.db2.gz OCWPJMIDCJQMBL-QGZVFWFLSA-N 1 1 289.419 3.488 20 10 CGCDMO COC[C@@H](CC(C)(C)C)[NH2+]Cc1cccc(F)c1O ZINC000848926498 636698994 /nfs/dbraw/zinc/69/89/94/636698994.db2.gz RBTOZRWCLGFQFP-GFCCVEGCSA-N 1 1 269.360 3.072 20 10 CGCDMO CCOC(=O)CC[N@@H+](Cc1cccc(CC)c1O)C(C)C ZINC000848928212 636700740 /nfs/dbraw/zinc/70/07/40/636700740.db2.gz XCXJYDGHEBLCCP-UHFFFAOYSA-N 1 1 293.407 3.118 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C1CCC2(COC2)CC1 ZINC000883389795 636733219 /nfs/dbraw/zinc/73/32/19/636733219.db2.gz YLLZNEFNGNJBQD-UHFFFAOYSA-N 1 1 299.773 3.234 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1ccc(N(C)C)cc1 ZINC000850499109 637091697 /nfs/dbraw/zinc/09/16/97/637091697.db2.gz JNTOUDJHDXKWGV-VBNZEHGJSA-N 1 1 299.422 3.091 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H]1C[C@@]12CCOC2 ZINC000886027861 637373285 /nfs/dbraw/zinc/37/32/85/637373285.db2.gz JPUAWOFVMSXKCQ-NVXWUHKLSA-N 1 1 275.392 3.031 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@H]1C[C@]12CCOC2 ZINC000886192451 637453701 /nfs/dbraw/zinc/45/37/01/637453701.db2.gz XBFGJQJYIPGOIP-AEFFLSMTSA-N 1 1 289.419 3.421 20 10 CGCDMO CCCC[N@@H+](Cc1ccccc1O)C[C@](C)(O)C(F)F ZINC000886192402 637454030 /nfs/dbraw/zinc/45/40/30/637454030.db2.gz UYRXWDFNJLZRSI-HNNXBMFYSA-N 1 1 287.350 3.010 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H](OC)C1CCC1 ZINC000851792924 637505094 /nfs/dbraw/zinc/50/50/94/637505094.db2.gz UNBGTQIWMRVJPT-KRWDZBQOSA-N 1 1 277.408 3.419 20 10 CGCDMO CCn1nc(C)c(C[NH2+][C@H](C)c2c(O)cccc2F)c1C ZINC000886520956 637551348 /nfs/dbraw/zinc/55/13/48/637551348.db2.gz QRJQISHTIOHIEB-LLVKDONJSA-N 1 1 291.370 3.215 20 10 CGCDMO Cc1ccc(CC[NH2+][C@@H](C)c2c(O)cccc2F)cn1 ZINC000886526725 637553856 /nfs/dbraw/zinc/55/38/56/637553856.db2.gz RGWWSEYOFYBHMG-LBPRGKRZSA-N 1 1 274.339 3.128 20 10 CGCDMO C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1c(O)cccc1F ZINC000886531219 637556307 /nfs/dbraw/zinc/55/63/07/637556307.db2.gz YCWXPYROKYYEIF-MEBBXXQBSA-N 1 1 295.379 3.151 20 10 CGCDMO C[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1c(O)cccc1F ZINC000886548141 637575947 /nfs/dbraw/zinc/57/59/47/637575947.db2.gz XWKSKYNKICCJJX-QMTHXVAHSA-N 1 1 293.313 3.055 20 10 CGCDMO Cc1ncsc1CC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886618981 637611150 /nfs/dbraw/zinc/61/11/50/637611150.db2.gz PRQUVCNSVTVQSV-JTQLQIEISA-N 1 1 280.368 3.190 20 10 CGCDMO C[C@H]([NH2+]CC[C@@H]1CCCS1)c1c(O)cccc1F ZINC000886646562 637627109 /nfs/dbraw/zinc/62/71/09/637627109.db2.gz MUBQIJYFCLPINQ-QWRGUYRKSA-N 1 1 269.385 3.468 20 10 CGCDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@@H]4C[C@@H]4C3)c2c1 ZINC000853577844 637869236 /nfs/dbraw/zinc/86/92/36/637869236.db2.gz JMGKYAQDHBRABX-ZIAGYGMSSA-N 1 1 283.371 3.396 20 10 CGCDMO CC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c1cc(Cl)ccc1[O-] ZINC000854230704 638029029 /nfs/dbraw/zinc/02/90/29/638029029.db2.gz XCUZGXJBDYYNSY-ZIAGYGMSSA-N 1 1 284.831 3.460 20 10 CGCDMO CCOC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000113923342 638305028 /nfs/dbraw/zinc/30/50/28/638305028.db2.gz JCBMOTWYXISZSC-CQSZACIVSA-N 1 1 289.419 3.129 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cn2c(n1)CCCC2 ZINC000924900709 638422863 /nfs/dbraw/zinc/42/28/63/638422863.db2.gz NXDAGDXMXRQOEK-ZDUSSCGKSA-N 1 1 297.402 3.005 20 10 CGCDMO Cc1cccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)n1 ZINC000858102056 638628036 /nfs/dbraw/zinc/62/80/36/638628036.db2.gz PSZKASDMDMXLDR-UHFFFAOYSA-N 1 1 291.345 3.024 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@]23C[C@H]2CCC3)c1 ZINC000927120499 638844832 /nfs/dbraw/zinc/84/48/32/638844832.db2.gz SUIQNFIHXDTKOL-NDGTYSDOSA-N 1 1 289.375 3.020 20 10 CGCDMO CCCC[N@@H+](CCO)Cc1ccc(N2CCCCC2)cc1 ZINC000159085470 640029271 /nfs/dbraw/zinc/02/92/71/640029271.db2.gz LPFIXMHIQSHXNH-UHFFFAOYSA-N 1 1 290.451 3.271 20 10 CGCDMO Cc1cccc(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)c1O ZINC000188037728 640116182 /nfs/dbraw/zinc/11/61/82/640116182.db2.gz OOJYJCSIFLDLEN-KRWDZBQOSA-N 1 1 277.408 3.074 20 10 CGCDMO Cc1cccc(C[NH2+][C@H](C)c2nc(C(C)(C)C)no2)c1O ZINC000191568719 640318847 /nfs/dbraw/zinc/31/88/47/640318847.db2.gz FXQFUAWMFOEAKI-LLVKDONJSA-N 1 1 289.379 3.232 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCS[C@@H](C)[C@H]2C)c1 ZINC000245698633 640632783 /nfs/dbraw/zinc/63/27/83/640632783.db2.gz CQQYPODWKRUDND-NEPJUHHUSA-N 1 1 281.421 3.117 20 10 CGCDMO CCOc1cccc(C[N@H+]2C[C@H](C)CC[C@H]2C)c1O ZINC000245902584 640646447 /nfs/dbraw/zinc/64/64/47/640646447.db2.gz LJRJFDQIOGWXIY-CHWSQXEVSA-N 1 1 263.381 3.411 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)[C@H]1c1ccccc1 ZINC000247424396 640720291 /nfs/dbraw/zinc/72/02/91/640720291.db2.gz KZPZRWUVTRAEIZ-KPZWWZAWSA-N 1 1 297.354 3.314 20 10 CGCDMO CC[N@@H+](Cc1ccccn1)Cc1cc(Cl)ccc1O ZINC000093338770 640767702 /nfs/dbraw/zinc/76/77/02/640767702.db2.gz BQGRSJAFNJYPDW-UHFFFAOYSA-N 1 1 276.767 3.463 20 10 CGCDMO C[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@H](O)C(C)(C)C ZINC001253725581 806286242 /nfs/dbraw/zinc/28/62/42/806286242.db2.gz XLVZJPMFIPSXDP-KRWDZBQOSA-N 1 1 290.451 3.126 20 10 CGCDMO CCC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)C1CC1 ZINC000037323090 798866185 /nfs/dbraw/zinc/86/61/85/798866185.db2.gz FMRLKPDKGMRACP-UHFFFAOYSA-N 1 1 265.328 3.108 20 10 CGCDMO CCC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)C1CC1 ZINC000037323090 798866189 /nfs/dbraw/zinc/86/61/89/798866189.db2.gz FMRLKPDKGMRACP-UHFFFAOYSA-N 1 1 265.328 3.108 20 10 CGCDMO CC[C@H]1CCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000037914574 798879615 /nfs/dbraw/zinc/87/96/15/798879615.db2.gz CEZURTHEGMYBJK-ZDUSSCGKSA-N 1 1 265.328 3.108 20 10 CGCDMO CCC(CC)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000131000741 799026839 /nfs/dbraw/zinc/02/68/39/799026839.db2.gz GSWTZOGJUNPVRO-UHFFFAOYSA-N 1 1 276.424 3.144 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@@](C)(CC)C2)c1O ZINC000399381225 799537902 /nfs/dbraw/zinc/53/79/02/799537902.db2.gz ZPYLFHMJIQOWCG-MRXNPFEDSA-N 1 1 263.381 3.413 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+]2CCOC(C)(C)[C@@H]2C)c1O ZINC000687954507 799740688 /nfs/dbraw/zinc/74/06/88/799740688.db2.gz RFZULALNTDVRJD-JTQLQIEISA-N 1 1 299.798 3.054 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CCOC(C)(C)[C@@H]2C)c1O ZINC000687954507 799740693 /nfs/dbraw/zinc/74/06/93/799740693.db2.gz RFZULALNTDVRJD-JTQLQIEISA-N 1 1 299.798 3.054 20 10 CGCDMO C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1ccc(F)cc1O ZINC000692696328 799796671 /nfs/dbraw/zinc/79/66/71/799796671.db2.gz OXHHRVRVCDOVMM-NWDGAFQWSA-N 1 1 274.339 3.381 20 10 CGCDMO C[N@H+](CC[C@H]1CC1(Cl)Cl)c1ccc(N)cc1 ZINC000702070120 799904142 /nfs/dbraw/zinc/90/41/42/799904142.db2.gz JZHJLLHKWZETNR-VIFPVBQESA-N 1 1 259.180 3.289 20 10 CGCDMO C[N@@H+](CC[C@H]1CC1(Cl)Cl)c1ccc(N)cc1 ZINC000702070120 799904148 /nfs/dbraw/zinc/90/41/48/799904148.db2.gz JZHJLLHKWZETNR-VIFPVBQESA-N 1 1 259.180 3.289 20 10 CGCDMO C[C@@H]([NH2+][C@H](CCO)C1CCCC1)c1ccc(F)cc1O ZINC000725086474 800371758 /nfs/dbraw/zinc/37/17/58/800371758.db2.gz SEPYGQQOYMBZLE-IAQYHMDHSA-N 1 1 281.371 3.123 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1c(O)cccc1F ZINC000886643446 800545971 /nfs/dbraw/zinc/54/59/71/800545971.db2.gz VSRIQHVPUFCLTK-GXTWGEPZSA-N 1 1 292.398 3.199 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)[C@H](C)C1 ZINC001116908973 802427667 /nfs/dbraw/zinc/42/76/67/802427667.db2.gz MKWXFBOLPFWGNB-CRAIPNDOSA-N 1 1 288.435 3.286 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)C[C@]1(C)CC1(Cl)Cl ZINC001117756524 802488528 /nfs/dbraw/zinc/48/85/28/802488528.db2.gz DVFJYICFPYAQOT-LBPRGKRZSA-N 1 1 274.191 3.408 20 10 CGCDMO C[N@H+](Cc1cccs1)Cc1c(O)cccc1F ZINC001137837302 803779286 /nfs/dbraw/zinc/77/92/86/803779286.db2.gz AMNPYGURHRXHSM-UHFFFAOYSA-N 1 1 251.326 3.225 20 10 CGCDMO C[N@@H+](Cc1cccs1)Cc1c(O)cccc1F ZINC001137837302 803779290 /nfs/dbraw/zinc/77/92/90/803779290.db2.gz AMNPYGURHRXHSM-UHFFFAOYSA-N 1 1 251.326 3.225 20 10 CGCDMO Cc1c(C[N@@H+]2CC[C@@H](C)[C@@H](O)CC2)c2ccccc2n1C ZINC001138252277 803879679 /nfs/dbraw/zinc/87/96/79/803879679.db2.gz AKPLSGHEHSBRTR-ACJLOTCBSA-N 1 1 286.419 3.080 20 10 CGCDMO Cc1c(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c2ccccc2n1C ZINC001138252781 803881116 /nfs/dbraw/zinc/88/11/16/803881116.db2.gz UWPAAFJHGFAKMN-BEFAXECRSA-N 1 1 298.430 3.488 20 10 CGCDMO Cc1c(C[N@H+]2CCC[C@H]2C(C)(C)O)c2ccccc2n1C ZINC001138257898 803881258 /nfs/dbraw/zinc/88/12/58/803881258.db2.gz CBTYOZLCLWQMLX-KRWDZBQOSA-N 1 1 286.419 3.222 20 10 CGCDMO Cc1c(C[N@H+]2CCC(=O)C[C@@H]2C)c2ccccc2n1C ZINC001138252778 803881351 /nfs/dbraw/zinc/88/13/51/803881351.db2.gz USAOYFGWQHMZPJ-LBPRGKRZSA-N 1 1 270.376 3.040 20 10 CGCDMO Cc1c(C[N@@H+]2CCC(=O)C[C@@H]2C)c2ccccc2n1C ZINC001138252778 803881357 /nfs/dbraw/zinc/88/13/57/803881357.db2.gz USAOYFGWQHMZPJ-LBPRGKRZSA-N 1 1 270.376 3.040 20 10 CGCDMO Cc1c(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)c2ccccc2n1C ZINC001138252860 803881765 /nfs/dbraw/zinc/88/17/65/803881765.db2.gz XAENZXZMASLSLR-ABAIWWIYSA-N 1 1 260.356 3.277 20 10 CGCDMO Cc1c(C[N@H+]2CCC[C@H](N(C)C)C2)c2ccccc2n1C ZINC001138256731 803881866 /nfs/dbraw/zinc/88/18/66/803881866.db2.gz IRMINLZJYHMMII-HNNXBMFYSA-N 1 1 285.435 3.013 20 10 CGCDMO Cc1c(C[N@@H+]2CCC[C@H](N(C)C)C2)c2ccccc2n1C ZINC001138256731 803881872 /nfs/dbraw/zinc/88/18/72/803881872.db2.gz IRMINLZJYHMMII-HNNXBMFYSA-N 1 1 285.435 3.013 20 10 CGCDMO Cc1c(CN2CCC[C@H]3C[N@@H+](C)C[C@H]32)c2ccccc2n1C ZINC001138257966 803883558 /nfs/dbraw/zinc/88/35/58/803883558.db2.gz FUNCTPDDLNQMNR-HNAYVOBHSA-N 1 1 297.446 3.013 20 10 CGCDMO Cc1c(C[N@@H+](C)[C@@H]2CCCOC2)c2ccccc2n1C ZINC001138259846 803885214 /nfs/dbraw/zinc/88/52/14/803885214.db2.gz PGHNDPXWGJVTEX-CQSZACIVSA-N 1 1 272.392 3.098 20 10 CGCDMO CN1CCCc2cc(C[N@@H+](C)CCc3ccccn3)ccc21 ZINC001138355018 803900366 /nfs/dbraw/zinc/90/03/66/803900366.db2.gz YPJYDFLLRGDUGU-UHFFFAOYSA-N 1 1 295.430 3.139 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@@]3(C2)CCCCO3)ccc1N(C)C ZINC001139670364 804247089 /nfs/dbraw/zinc/24/70/89/804247089.db2.gz LJYCRQPRIMSFOP-GOSISDBHSA-N 1 1 288.435 3.206 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)CCC1(F)F ZINC001140058309 804365024 /nfs/dbraw/zinc/36/50/24/804365024.db2.gz WUJXLBGLXQALLE-SNVBAGLBSA-N 1 1 273.298 3.399 20 10 CGCDMO C[N@@H+](CCc1cccc(F)c1)Cc1cc(F)ccc1O ZINC001140060028 804365653 /nfs/dbraw/zinc/36/56/53/804365653.db2.gz HIWRBJOWQKOIQZ-UHFFFAOYSA-N 1 1 277.314 3.345 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@@H](c3ccccn3)C2)c1O ZINC001140180353 804396453 /nfs/dbraw/zinc/39/64/53/804396453.db2.gz VNNOZUWGCLYJOQ-OAHLLOKOSA-N 1 1 282.387 3.394 20 10 CGCDMO Cc1ccc(C)c(C[N@H+](C)Cc2cscn2)c1O ZINC001140184537 804399329 /nfs/dbraw/zinc/39/93/29/804399329.db2.gz YLKOSOISXQCJHJ-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+](C)Cc2cscn2)c1O ZINC001140184537 804399339 /nfs/dbraw/zinc/39/93/39/804399339.db2.gz YLKOSOISXQCJHJ-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO C[N@H+](Cc1ccc(Cl)cc1O)C[C@H]1CCCCO1 ZINC001140467260 804442887 /nfs/dbraw/zinc/44/28/87/804442887.db2.gz SJHOPGINHQGRPD-CYBMUJFWSA-N 1 1 269.772 3.047 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)[C@H](C)C1 ZINC001140468603 804443563 /nfs/dbraw/zinc/44/35/63/804443563.db2.gz QGULFBUZMXDUMM-MFKMUULPSA-N 1 1 269.772 3.045 20 10 CGCDMO Cc1cc(C[N@H+](C)Cc2ccccc2O)ccc1O ZINC001140576747 804465283 /nfs/dbraw/zinc/46/52/83/804465283.db2.gz AMZHTKCFKOPSIY-UHFFFAOYSA-N 1 1 257.333 3.038 20 10 CGCDMO COc1ccc(CC[N@@H+](C)Cc2cc(C)ccc2O)cc1 ZINC001140622741 804476448 /nfs/dbraw/zinc/47/64/48/804476448.db2.gz FKBNWVSSAKHBAQ-UHFFFAOYSA-N 1 1 285.387 3.384 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c1 ZINC001140617112 804476866 /nfs/dbraw/zinc/47/68/66/804476866.db2.gz FMRQUYSJRIZCJG-VXGBXAGGSA-N 1 1 291.288 3.280 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CCc3ccsc3C2)c1O ZINC001140746093 804503669 /nfs/dbraw/zinc/50/36/69/804503669.db2.gz UVRUPTLRBHOWBN-UHFFFAOYSA-N 1 1 275.373 3.026 20 10 CGCDMO CCCO[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140924149 804551337 /nfs/dbraw/zinc/55/13/37/804551337.db2.gz NAPFOLYVQKZGFN-HNNXBMFYSA-N 1 1 296.842 3.407 20 10 CGCDMO COc1cc(O)c(C[N@@H+](CC2CC2)C(C)C)c(OC)c1 ZINC001141028071 804575708 /nfs/dbraw/zinc/57/57/08/804575708.db2.gz ADFARFZWMISLGY-UHFFFAOYSA-N 1 1 279.380 3.030 20 10 CGCDMO CC[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141143819 804596881 /nfs/dbraw/zinc/59/68/81/804596881.db2.gz LKYQYVWQRNGXHB-HNNXBMFYSA-N 1 1 274.408 3.280 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2cc(O)ccc2O)cc1C ZINC001141162218 804601653 /nfs/dbraw/zinc/60/16/53/804601653.db2.gz NBDPVWDZYNQHQO-UHFFFAOYSA-N 1 1 271.360 3.347 20 10 CGCDMO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1cc(O)ccc1O ZINC001141161793 804601847 /nfs/dbraw/zinc/60/18/47/804601847.db2.gz YMVJCANBXVYMND-GFCCVEGCSA-N 1 1 287.359 3.299 20 10 CGCDMO C[C@H]1C[N@H+](Cc2cc(O)ccc2O)[C@@H](c2ccccc2)CO1 ZINC001141162970 804602286 /nfs/dbraw/zinc/60/22/86/804602286.db2.gz MXNGHBICJZAXBR-SUMWQHHRSA-N 1 1 299.370 3.060 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(O)ccc2O)[C@@H](c2ccccc2)CO1 ZINC001141162970 804602290 /nfs/dbraw/zinc/60/22/90/804602290.db2.gz MXNGHBICJZAXBR-SUMWQHHRSA-N 1 1 299.370 3.060 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC12CCCC2 ZINC001142508679 804728212 /nfs/dbraw/zinc/72/82/12/804728212.db2.gz HSHZDTNNKGGURK-UHFFFAOYSA-N 1 1 253.292 3.189 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC12CCCC2 ZINC001142508679 804728216 /nfs/dbraw/zinc/72/82/16/804728216.db2.gz HSHZDTNNKGGURK-UHFFFAOYSA-N 1 1 253.292 3.189 20 10 CGCDMO C[N@H+](Cc1cc(F)c(F)cc1[O-])C[C@H]1CC1(C)C ZINC001142527559 804733990 /nfs/dbraw/zinc/73/39/90/804733990.db2.gz ZBIZKQWJPCJNND-SNVBAGLBSA-N 1 1 255.308 3.148 20 10 CGCDMO C[N@@H+](Cc1cc(F)c(F)cc1O)C[C@H]1CC1(C)C ZINC001142527559 804733993 /nfs/dbraw/zinc/73/39/93/804733993.db2.gz ZBIZKQWJPCJNND-SNVBAGLBSA-N 1 1 255.308 3.148 20 10 CGCDMO C[N@H+](Cc1cc(F)c(F)cc1O)C[C@H]1CC1(C)C ZINC001142527559 804733995 /nfs/dbraw/zinc/73/39/95/804733995.db2.gz ZBIZKQWJPCJNND-SNVBAGLBSA-N 1 1 255.308 3.148 20 10 CGCDMO CC(C)(C)c1cccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c1O ZINC001143105239 804801029 /nfs/dbraw/zinc/80/10/29/804801029.db2.gz NVDBTEVTHWJQOE-OKILXGFUSA-N 1 1 287.403 3.386 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)CCCC1=O ZINC001143103960 804801148 /nfs/dbraw/zinc/80/11/48/804801148.db2.gz NVPHVAPDXRCPNR-CYBMUJFWSA-N 1 1 289.419 3.491 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc3cc[nH]c3n2)cc1 ZINC001144188431 804950503 /nfs/dbraw/zinc/95/05/03/804950503.db2.gz ZPZLPOXMPZYOTH-UHFFFAOYSA-N 1 1 294.402 3.261 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccc(O)cn1 ZINC001144259738 804963261 /nfs/dbraw/zinc/96/32/61/804963261.db2.gz XEDMLZWVBQUOCD-UHFFFAOYSA-N 1 1 297.402 3.019 20 10 CGCDMO Cc1cccc(O)c1Nc1cc[nH+]cc1C(F)(F)F ZINC001249590310 805183829 /nfs/dbraw/zinc/18/38/29/805183829.db2.gz PYHXZJBSDCSIAP-UHFFFAOYSA-N 1 1 268.238 3.280 20 10 CGCDMO C[C@@H](Cc1ccco1)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001258200745 807360079 /nfs/dbraw/zinc/36/00/79/807360079.db2.gz WLZFJVHVYWEQCP-AWEZNQCLSA-N 1 1 272.392 3.409 20 10 CGCDMO CC[C@H]1C[C@@H]([N@@H+](CC)Cc2ccccc2O)CCO1 ZINC001170235219 807799469 /nfs/dbraw/zinc/79/94/69/807799469.db2.gz KUYJVHGPZPPKIU-GJZGRUSLSA-N 1 1 263.381 3.172 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCSC[C@H]2C2CC2)cc1 ZINC001170460749 807846810 /nfs/dbraw/zinc/84/68/10/807846810.db2.gz SEYADWIFUXFOLG-KRWDZBQOSA-N 1 1 290.476 3.470 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1COC(C)(C)C1 ZINC001172286196 808213702 /nfs/dbraw/zinc/21/37/02/808213702.db2.gz GCEOEPCUBIWYFT-QGZVFWFLSA-N 1 1 288.435 3.286 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC001180002473 809967684 /nfs/dbraw/zinc/96/76/84/809967684.db2.gz WZVKZDNNJWTHHT-QGZVFWFLSA-N 1 1 258.409 3.435 20 10 CGCDMO CC[N@H+]1C[C@@H](C)N(Cc2cc(Cl)c(C)cc2O)C[C@H]1C ZINC001180141334 809976912 /nfs/dbraw/zinc/97/69/12/809976912.db2.gz GEWQCMGWZPMMFY-CHWSQXEVSA-N 1 1 296.842 3.269 20 10 CGCDMO CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(F)cc2O)CCO1 ZINC001180325813 809993356 /nfs/dbraw/zinc/99/33/56/809993356.db2.gz BEHNHUBMCAEOQY-QWHCGFSZSA-N 1 1 299.361 3.354 20 10 CGCDMO CN(C)c1cc(F)c(C[N@H+]2CCCC3(CC3)C2)cc1F ZINC001181113344 810038499 /nfs/dbraw/zinc/03/84/99/810038499.db2.gz OGRVEOIIWDJJTA-UHFFFAOYSA-N 1 1 280.362 3.407 20 10 CGCDMO CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001182714934 810121348 /nfs/dbraw/zinc/12/13/48/810121348.db2.gz ONIYZZKQHUGRNN-UHFFFAOYSA-N 1 1 284.831 3.113 20 10 CGCDMO COc1ccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c(O)c1 ZINC001203629947 812411097 /nfs/dbraw/zinc/41/10/97/812411097.db2.gz OEVTUGJOTKKNMU-KRWDZBQOSA-N 1 1 299.370 3.054 20 10 CGCDMO CC(C)[N@H+](Cc1cc(Cl)ccc1O)C1CCN(C)CC1 ZINC001203665825 812421820 /nfs/dbraw/zinc/42/18/20/812421820.db2.gz WVEABGVYKHCWOK-UHFFFAOYSA-N 1 1 296.842 3.350 20 10 CGCDMO CC(C)[N@@H+](Cc1cc(Cl)ccc1O)C1CCN(C)CC1 ZINC001203665825 812421825 /nfs/dbraw/zinc/42/18/25/812421825.db2.gz WVEABGVYKHCWOK-UHFFFAOYSA-N 1 1 296.842 3.350 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001203871315 812476681 /nfs/dbraw/zinc/47/66/81/812476681.db2.gz GMQQRIJDMRXLGX-HZMBPMFUSA-N 1 1 299.773 3.232 20 10 CGCDMO CC[N@@H+](Cc1ccccc1)Cc1ccc(O)c(O)c1 ZINC001203874158 812478285 /nfs/dbraw/zinc/47/82/85/812478285.db2.gz QXMMQBCWTBFGIJ-UHFFFAOYSA-N 1 1 257.333 3.120 20 10 CGCDMO Oc1ccc(C[N@H+]2CCC[C@H](c3ccccc3)C2)cc1O ZINC001203878635 812478838 /nfs/dbraw/zinc/47/88/38/812478838.db2.gz IZDYNZXTOAJOOZ-INIZCTEOSA-N 1 1 283.371 3.477 20 10 CGCDMO COc1cccc2c1C[N@@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203929509 812494881 /nfs/dbraw/zinc/49/48/81/812494881.db2.gz FEULFQCRQMQOBR-UHFFFAOYSA-N 1 1 296.414 3.320 20 10 CGCDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C1CCN(C)CC1 ZINC001203936260 812496318 /nfs/dbraw/zinc/49/63/18/812496318.db2.gz FTZMYYSIUGFQNY-UHFFFAOYSA-N 1 1 289.467 3.057 20 10 CGCDMO C[C@H]1CC[C@@H](CO)[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204234015 812581478 /nfs/dbraw/zinc/58/14/78/812581478.db2.gz WAUFJSDUPCMSCF-HOCLYGCPSA-N 1 1 298.430 3.251 20 10 CGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001204322312 812612432 /nfs/dbraw/zinc/61/24/32/812612432.db2.gz QOZQRGWNIWHRKH-GOSISDBHSA-N 1 1 286.419 3.042 20 10 CGCDMO CC[N@@H+](Cc1cc(O)c(O)c(OC)c1)C1CCCCC1 ZINC001204340145 812616045 /nfs/dbraw/zinc/61/60/45/812616045.db2.gz FHSCLCUQBHETJQ-UHFFFAOYSA-N 1 1 279.380 3.261 20 10 CGCDMO C[C@@H]1Cc2cc(C[N@@H+](C)Cc3ccccc3O)ccc2O1 ZINC001204826919 812748392 /nfs/dbraw/zinc/74/83/92/812748392.db2.gz ODBNLICTRPSTCL-CYBMUJFWSA-N 1 1 283.371 3.348 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2cc3ccccc3cc2[O-])CC[C@@H]1C[NH3+] ZINC001205651522 813043278 /nfs/dbraw/zinc/04/32/78/813043278.db2.gz GDIWXDIYNVPYBG-RHSMWYFYSA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc3ccccc3cc2[O-])CC[C@@H]1C[NH3+] ZINC001205651522 813043287 /nfs/dbraw/zinc/04/32/87/813043287.db2.gz GDIWXDIYNVPYBG-RHSMWYFYSA-N 1 1 298.430 3.352 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2CN)c(O)c1 ZINC001205856296 813110337 /nfs/dbraw/zinc/11/03/37/813110337.db2.gz UMTYLAPYBZGEFI-CZUORRHYSA-N 1 1 276.424 3.075 20 10 CGCDMO CC(C)c1ccc(CN2C[C@H](C)CC[C@@H]2C[NH3+])c(O)c1 ZINC001205856296 813110344 /nfs/dbraw/zinc/11/03/44/813110344.db2.gz UMTYLAPYBZGEFI-CZUORRHYSA-N 1 1 276.424 3.075 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)Cc1ncc(F)cc1F ZINC001207100325 813485785 /nfs/dbraw/zinc/48/57/85/813485785.db2.gz ZJAWQXGWAJWSDV-UHFFFAOYSA-N 1 1 278.302 3.088 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1ncc(F)cc1F ZINC001207100325 813485790 /nfs/dbraw/zinc/48/57/90/813485790.db2.gz ZJAWQXGWAJWSDV-UHFFFAOYSA-N 1 1 278.302 3.088 20 10 CGCDMO CC(C)c1ccc(O)c(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC001207174024 813504094 /nfs/dbraw/zinc/50/40/94/813504094.db2.gz GNGJPDINTPVKGG-NVXWUHKLSA-N 1 1 288.435 3.042 20 10 CGCDMO CC(C)c1ccc(O)c(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC001207174024 813504101 /nfs/dbraw/zinc/50/41/01/813504101.db2.gz GNGJPDINTPVKGG-NVXWUHKLSA-N 1 1 288.435 3.042 20 10 CGCDMO CC(C)c1ccc(O)c(CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC001207174024 813504107 /nfs/dbraw/zinc/50/41/07/813504107.db2.gz GNGJPDINTPVKGG-NVXWUHKLSA-N 1 1 288.435 3.042 20 10 CGCDMO CC(C)c1ccc(O)c(CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC001207174024 813504112 /nfs/dbraw/zinc/50/41/12/813504112.db2.gz GNGJPDINTPVKGG-NVXWUHKLSA-N 1 1 288.435 3.042 20 10 CGCDMO Oc1cccc2c1C[N@@H+](CCc1cccc(F)c1)CC2 ZINC001208198464 813742639 /nfs/dbraw/zinc/74/26/39/813742639.db2.gz HMBSOVSPJFUASJ-UHFFFAOYSA-N 1 1 271.335 3.132 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCCC[C@@H]2CO)cc1 ZINC001209519451 814073730 /nfs/dbraw/zinc/07/37/30/814073730.db2.gz VASVMFIYZWNKMW-LJQANCHMSA-N 1 1 298.430 3.441 20 10 CGCDMO Cc1cc([N@H+](C)c2ccc(N)cc2)ccc1N1CCOCC1 ZINC001210978090 814697395 /nfs/dbraw/zinc/69/73/95/814697395.db2.gz XZIGMKYUXZDBSN-UHFFFAOYSA-N 1 1 297.402 3.182 20 10 CGCDMO Cc1cc([N@@H+](C)c2ccc(N)cc2)ccc1N1CCOCC1 ZINC001210978090 814697400 /nfs/dbraw/zinc/69/74/00/814697400.db2.gz XZIGMKYUXZDBSN-UHFFFAOYSA-N 1 1 297.402 3.182 20 10 CGCDMO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1Cc1c(O)ccc2ccccc21 ZINC001231586237 818130517 /nfs/dbraw/zinc/13/05/17/818130517.db2.gz DWHVQRZMMCOQPI-UONOGXRCSA-N 1 1 284.403 3.070 20 10 CGCDMO Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1O ZINC001231591958 818131309 /nfs/dbraw/zinc/13/13/09/818131309.db2.gz MXTXGZLFDJFVST-BETUJISGSA-N 1 1 267.319 3.178 20 10 CGCDMO O=C1CCC[C@H]2C[N@H+](Cc3c(O)ccc4ccccc43)C[C@H]12 ZINC001231590630 818131537 /nfs/dbraw/zinc/13/15/37/818131537.db2.gz CITMIYAYXJSUMV-HOCLYGCPSA-N 1 1 295.382 3.346 20 10 CGCDMO COc1ccc(CC[N@@H+](C)Cc2cccc(C)c2O)cc1 ZINC001231593457 818131681 /nfs/dbraw/zinc/13/16/81/818131681.db2.gz ZNVZIKNGBFOKKH-UHFFFAOYSA-N 1 1 285.387 3.384 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c(O)cc1O ZINC001231634874 818143545 /nfs/dbraw/zinc/14/35/45/818143545.db2.gz AWUWRKQYTANJEZ-OLZOCXBDSA-N 1 1 291.391 3.119 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCC[C@@H](F)CC2)c(O)c1 ZINC001231841861 818186124 /nfs/dbraw/zinc/18/61/24/818186124.db2.gz FDRJRAHBVUCIOM-CYBMUJFWSA-N 1 1 251.345 3.333 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC001231853881 818189465 /nfs/dbraw/zinc/18/94/65/818189465.db2.gz SXSOTUVFXTTYCV-KBPBESRZSA-N 1 1 276.424 3.382 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@]3(C2)CC(F)(F)CO3)c(O)c1 ZINC001231849159 818189467 /nfs/dbraw/zinc/18/94/67/818189467.db2.gz OZFSFJKOLAXOAB-OAHLLOKOSA-N 1 1 297.345 3.009 20 10 CGCDMO Cc1cc(O)c(CN2CC[C@@H]([N@@H+](C)C3CC3)C2)cc1Cl ZINC001231870245 818194589 /nfs/dbraw/zinc/19/45/89/818194589.db2.gz PNFYAYPSKONDMU-CQSZACIVSA-N 1 1 294.826 3.023 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1Cl ZINC001231869824 818194733 /nfs/dbraw/zinc/19/47/33/818194733.db2.gz ZWIGDMSIUOHLAD-MLGOLLRUSA-N 1 1 295.810 3.355 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@@]1(C)O ZINC001231909907 818209036 /nfs/dbraw/zinc/20/90/36/818209036.db2.gz SVMQCKITFJOTBM-XHDPSFHLSA-N 1 1 283.799 3.029 20 10 CGCDMO CC[N@H+](Cc1cnsc1)Cc1ccc(N(C)C)cc1 ZINC001232230046 818285716 /nfs/dbraw/zinc/28/57/16/818285716.db2.gz COAILZFBKMKFKJ-UHFFFAOYSA-N 1 1 275.421 3.231 20 10 CGCDMO CC[N@@H+](Cc1cnsc1)Cc1ccc(N(C)C)cc1 ZINC001232230046 818285720 /nfs/dbraw/zinc/28/57/20/818285720.db2.gz COAILZFBKMKFKJ-UHFFFAOYSA-N 1 1 275.421 3.231 20 10 CGCDMO C[N@@H+](Cc1cccc(O)c1)Cc1cc(Cl)c(O)cc1O ZINC001232261015 818295081 /nfs/dbraw/zinc/29/50/81/818295081.db2.gz VALAOSREBSSBJE-UHFFFAOYSA-N 1 1 293.750 3.089 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC001232257958 818295307 /nfs/dbraw/zinc/29/53/07/818295307.db2.gz NLYWMRCETJHOPJ-WDEREUQCSA-N 1 1 281.783 3.373 20 10 CGCDMO CCC[N@H+](Cc1cc(Cl)c(O)cc1O)CC1CC1 ZINC001232258731 818295407 /nfs/dbraw/zinc/29/54/07/818295407.db2.gz MKGPUETWBPDRFN-UHFFFAOYSA-N 1 1 269.772 3.373 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](CF)C2)cc1Cl ZINC001232269604 818300248 /nfs/dbraw/zinc/30/02/48/818300248.db2.gz GLVPAOYREUHDNY-SNVBAGLBSA-N 1 1 287.762 3.236 20 10 CGCDMO COCc1ccc(C[N@H+]2CCc3cccc(O)c3C2)cc1 ZINC001232302239 818306938 /nfs/dbraw/zinc/30/69/38/818306938.db2.gz KJKVTHRECHZZLG-UHFFFAOYSA-N 1 1 283.371 3.097 20 10 CGCDMO CC[C@H](C)[N@@H+](C)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232401103 818339169 /nfs/dbraw/zinc/33/91/69/818339169.db2.gz PPLDBNAFKLDMMP-LBPRGKRZSA-N 1 1 288.391 3.195 20 10 CGCDMO COC(=O)c1c(C[N@@H+](C)CC(C)C)c2ccccc2n1C ZINC001232402109 818340172 /nfs/dbraw/zinc/34/01/72/818340172.db2.gz TWOIVYMLXLVQSQ-UHFFFAOYSA-N 1 1 288.391 3.053 20 10 CGCDMO C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(N(C)C)cc1O ZINC001232841087 818453407 /nfs/dbraw/zinc/45/34/07/818453407.db2.gz RVRSINPALBBBLO-AWEZNQCLSA-N 1 1 296.414 3.405 20 10 CGCDMO Oc1cc(C[N@H+]2CCC[C@H](c3ccccc3)C2)cc(O)c1O ZINC001233012226 818500166 /nfs/dbraw/zinc/50/01/66/818500166.db2.gz JYLDSKZJZBPFQO-HNNXBMFYSA-N 1 1 299.370 3.183 20 10 CGCDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2cc(O)c(O)c(O)c2)cc1 ZINC001233013650 818502854 /nfs/dbraw/zinc/50/28/54/818502854.db2.gz RMJXSOBRYJNKPB-OAHLLOKOSA-N 1 1 299.370 3.449 20 10 CGCDMO COC[C@H]1CCC[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233283955 818565332 /nfs/dbraw/zinc/56/53/32/818565332.db2.gz CCYUMFYNFZNXHF-OAHLLOKOSA-N 1 1 277.408 3.301 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCCC[C@H](O)C2)c1 ZINC001233284200 818566740 /nfs/dbraw/zinc/56/67/40/818566740.db2.gz LYQPPTAEYDSSLX-HNNXBMFYSA-N 1 1 277.408 3.037 20 10 CGCDMO CC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286046 818567275 /nfs/dbraw/zinc/56/72/75/818567275.db2.gz CGLFQHCNCLKYNX-CQSZACIVSA-N 1 1 289.419 3.491 20 10 CGCDMO COC[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233284261 818567988 /nfs/dbraw/zinc/56/79/88/818567988.db2.gz NYHNVENSEZAPCP-ZDUSSCGKSA-N 1 1 277.408 3.158 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC001233334544 818585109 /nfs/dbraw/zinc/58/51/09/818585109.db2.gz LGLTWXQYRVHOFN-LBPRGKRZSA-N 1 1 290.313 3.055 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001233334544 818585116 /nfs/dbraw/zinc/58/51/16/818585116.db2.gz LGLTWXQYRVHOFN-LBPRGKRZSA-N 1 1 290.313 3.055 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@@H+]1CCC12CCCC2 ZINC001233332654 818586757 /nfs/dbraw/zinc/58/67/57/818586757.db2.gz SOVJUINCRVKVOM-UHFFFAOYSA-N 1 1 253.292 3.189 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@H+]1CCC12CCCC2 ZINC001233332654 818586760 /nfs/dbraw/zinc/58/67/60/818586760.db2.gz SOVJUINCRVKVOM-UHFFFAOYSA-N 1 1 253.292 3.189 20 10 CGCDMO CO[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233415919 818615729 /nfs/dbraw/zinc/61/57/29/818615729.db2.gz OFJXADVZHZOHJS-LLVKDONJSA-N 1 1 289.297 3.022 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233415919 818615736 /nfs/dbraw/zinc/61/57/36/818615736.db2.gz OFJXADVZHZOHJS-LLVKDONJSA-N 1 1 289.297 3.022 20 10 CGCDMO CC(C)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1O ZINC001233451315 818623503 /nfs/dbraw/zinc/62/35/03/818623503.db2.gz GNONCWWEJCIABA-UHFFFAOYSA-N 1 1 261.287 3.499 20 10 CGCDMO Oc1cc(O)c(C[N@@H+]2CC=C(c3ccccc3)CC2)cc1O ZINC001233486565 818624783 /nfs/dbraw/zinc/62/47/83/818624783.db2.gz SHZGDQPHEHBNLM-UHFFFAOYSA-N 1 1 297.354 3.093 20 10 CGCDMO COc1ccc2ccc(O)c(C[N@H+]3C[C@H](F)C[C@H]3C)c2c1 ZINC001234526563 818874700 /nfs/dbraw/zinc/87/47/00/818874700.db2.gz XAOVBFHCBSJCCQ-DGCLKSJQSA-N 1 1 289.350 3.486 20 10 CGCDMO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234993740 818972543 /nfs/dbraw/zinc/97/25/43/818972543.db2.gz BDBQSDBGDCDXMG-PBHICJAKSA-N 1 1 297.398 3.404 20 10 CGCDMO C[C@H]1CC[C@@H](CO)[N@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001235000077 818975020 /nfs/dbraw/zinc/97/50/20/818975020.db2.gz HNMUGWZPIQWZTI-YOEHRIQHSA-N 1 1 297.398 3.404 20 10 CGCDMO Oc1c(C[N@H+]2CC[C@@]23CCOC3)cccc1-c1ccccc1 ZINC001234999386 818975195 /nfs/dbraw/zinc/97/51/95/818975195.db2.gz VESWVAOLAOTEKG-IBGZPJMESA-N 1 1 295.382 3.424 20 10 CGCDMO CN(Cc1ccc(C(C)(C)C)cc1O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236220299 819385443 /nfs/dbraw/zinc/38/54/43/819385443.db2.gz YXABMLBQQXPMJR-HZPDHXFCSA-N 1 1 290.451 3.391 20 10 CGCDMO CCc1ccc(C[N@@H+](C)C[C@@H]2Cc3ccccc3O2)c(O)c1 ZINC001236786695 819594813 /nfs/dbraw/zinc/59/48/13/819594813.db2.gz DSKRWAZWTYLAQC-KRWDZBQOSA-N 1 1 297.398 3.390 20 10 CGCDMO CCc1ccc(C[N@H+]2CCc3nc(C)sc3C2)c(O)c1 ZINC001236787331 819596064 /nfs/dbraw/zinc/59/60/64/819596064.db2.gz BEXGSOFCDRNBNW-UHFFFAOYSA-N 1 1 288.416 3.278 20 10 CGCDMO CCc1ccc(C[N@@H+](C)CCc2cccnc2)c(O)c1 ZINC001236795333 819596895 /nfs/dbraw/zinc/59/68/95/819596895.db2.gz UHRMUZWOKVIURK-UHFFFAOYSA-N 1 1 270.376 3.024 20 10 CGCDMO CCc1ccc(C[N@H+]2CCC[C@H](C(F)F)C2)c(O)c1 ZINC001236793824 819597223 /nfs/dbraw/zinc/59/72/23/819597223.db2.gz FNZRBSTZDDMYOW-ZDUSSCGKSA-N 1 1 269.335 3.432 20 10 CGCDMO CCc1ccc(C[N@H+]2CC[C@H](COCC3CC3)C2)c(O)c1 ZINC001236793494 819598381 /nfs/dbraw/zinc/59/83/81/819598381.db2.gz XBRNOYWORHAORA-INIZCTEOSA-N 1 1 289.419 3.203 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)C[C@H]2CCCCO2)c(Cl)c1 ZINC001236797811 819598833 /nfs/dbraw/zinc/59/88/33/819598833.db2.gz AWMYPTVPDLWJCP-LLVKDONJSA-N 1 1 299.798 3.055 20 10 CGCDMO COC[C@H]1CCCC[N@H+]1Cc1c(O)cc(OC)cc1Cl ZINC001236800467 819600038 /nfs/dbraw/zinc/60/00/38/819600038.db2.gz ZIWKTVBUHQHABI-LLVKDONJSA-N 1 1 299.798 3.055 20 10 CGCDMO COc1cc(C)c(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c(O)c1 ZINC001236806794 819602406 /nfs/dbraw/zinc/60/24/06/819602406.db2.gz BDQMPCWGXTZYQQ-OKILXGFUSA-N 1 1 275.392 3.331 20 10 CGCDMO CCO[C@H]1CCC[N@H+](Cc2ccc(OC)c(Cl)c2O)C1 ZINC001236806857 819602542 /nfs/dbraw/zinc/60/25/42/819602542.db2.gz ATMDIKOQBLBBCS-LBPRGKRZSA-N 1 1 299.798 3.055 20 10 CGCDMO CCO[C@H]1CCC[N@@H+](Cc2ccc(OC)c(Cl)c2O)C1 ZINC001236806857 819602545 /nfs/dbraw/zinc/60/25/45/819602545.db2.gz ATMDIKOQBLBBCS-LBPRGKRZSA-N 1 1 299.798 3.055 20 10 CGCDMO COc1ccc(C[N@H+](C)C[C@H]2CCCCO2)c(O)c1Cl ZINC001236808531 819602624 /nfs/dbraw/zinc/60/26/24/819602624.db2.gz CVCLWRRGLKCVBK-GFCCVEGCSA-N 1 1 299.798 3.055 20 10 CGCDMO COc1ccc(C[N@@H+](C)C[C@H]2CCCCO2)c(O)c1Cl ZINC001236808531 819602627 /nfs/dbraw/zinc/60/26/27/819602627.db2.gz CVCLWRRGLKCVBK-GFCCVEGCSA-N 1 1 299.798 3.055 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@H](OC)CC2)c(O)c1Cl ZINC001236812237 819603744 /nfs/dbraw/zinc/60/37/44/819603744.db2.gz UCESXYQLRSRPRL-LBPRGKRZSA-N 1 1 299.798 3.055 20 10 CGCDMO COc1ccc(C[N@@H+]2CCC[C@H](OC)CC2)c(O)c1Cl ZINC001236812237 819603746 /nfs/dbraw/zinc/60/37/46/819603746.db2.gz UCESXYQLRSRPRL-LBPRGKRZSA-N 1 1 299.798 3.055 20 10 CGCDMO COc1ccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)c(O)c1Cl ZINC001236817769 819606050 /nfs/dbraw/zinc/60/60/50/819606050.db2.gz HISWFECBALBHDA-CMPLNLGQSA-N 1 1 299.798 3.054 20 10 CGCDMO COc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)c(O)c1Cl ZINC001236817769 819606055 /nfs/dbraw/zinc/60/60/55/819606055.db2.gz HISWFECBALBHDA-CMPLNLGQSA-N 1 1 299.798 3.054 20 10 CGCDMO CC[C@@H]1CC[N@H+](Cc2ccc(OC)c(Cl)c2O)C1 ZINC001236819572 819606192 /nfs/dbraw/zinc/60/61/92/819606192.db2.gz WYRZMURZLNDFAL-SNVBAGLBSA-N 1 1 269.772 3.286 20 10 CGCDMO CC[C@@H]1CC[N@@H+](Cc2ccc(OC)c(Cl)c2O)C1 ZINC001236819572 819606195 /nfs/dbraw/zinc/60/61/95/819606195.db2.gz WYRZMURZLNDFAL-SNVBAGLBSA-N 1 1 269.772 3.286 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)Cc2cccnc2C)c(O)c1 ZINC001236820387 819607486 /nfs/dbraw/zinc/60/74/86/819607486.db2.gz LMXIAIBDKZSTFT-UHFFFAOYSA-N 1 1 286.375 3.045 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001236826481 819610664 /nfs/dbraw/zinc/61/06/64/819610664.db2.gz KYPYNEBXGVXDFD-BPUTZDHNSA-N 1 1 271.335 3.335 20 10 CGCDMO Oc1cc2ccccc2cc1CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC001236842741 819618970 /nfs/dbraw/zinc/61/89/70/819618970.db2.gz XXJCABGVVPGMLM-GOSISDBHSA-N 1 1 296.414 3.216 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@@H+]1CCCN2CCC[C@@H]2C1 ZINC001236842741 819618972 /nfs/dbraw/zinc/61/89/72/819618972.db2.gz XXJCABGVVPGMLM-GOSISDBHSA-N 1 1 296.414 3.216 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@H+]1CCCN2CCC[C@@H]2C1 ZINC001236842741 819618977 /nfs/dbraw/zinc/61/89/77/819618977.db2.gz XXJCABGVVPGMLM-GOSISDBHSA-N 1 1 296.414 3.216 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)C2CC(F)(F)C2)c(O)c1 ZINC001237046170 819650828 /nfs/dbraw/zinc/65/08/28/819650828.db2.gz YMKCRQNESBBWKZ-UHFFFAOYSA-N 1 1 271.307 3.020 20 10 CGCDMO CC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C(C)C)cc1O ZINC001237050548 819652498 /nfs/dbraw/zinc/65/24/98/819652498.db2.gz CFAMGFKMLMDEJB-HNNXBMFYSA-N 1 1 261.365 3.069 20 10 CGCDMO CC[N@H+](CCCN(C)C)Cc1ccc(C(C)C)cc1O ZINC001237056399 819655165 /nfs/dbraw/zinc/65/51/65/819655165.db2.gz YNMUKHUWFRYXAO-UHFFFAOYSA-N 1 1 278.440 3.289 20 10 CGCDMO CC[N@@H+](CCCN(C)C)Cc1ccc(C(C)C)cc1O ZINC001237056399 819655168 /nfs/dbraw/zinc/65/51/68/819655168.db2.gz YNMUKHUWFRYXAO-UHFFFAOYSA-N 1 1 278.440 3.289 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCOC[C@H]2C2CC2)c(O)c1 ZINC001237055476 819655473 /nfs/dbraw/zinc/65/54/73/819655473.db2.gz PGGBXIOJMCBNMS-INIZCTEOSA-N 1 1 275.392 3.126 20 10 CGCDMO C[N@H+](Cc1c(O)cccc1OC(F)(F)F)CC1CC1 ZINC001237120489 819672101 /nfs/dbraw/zinc/67/21/01/819672101.db2.gz QCXBCPAMRYUXLC-UHFFFAOYSA-N 1 1 275.270 3.133 20 10 CGCDMO COC[C@@H]1CCCC[N@H+]1Cc1c(O)ccc(F)c1Cl ZINC001237122125 819672486 /nfs/dbraw/zinc/67/24/86/819672486.db2.gz SERURHLVXTYFST-JTQLQIEISA-N 1 1 287.762 3.186 20 10 CGCDMO Oc1ccc(F)c(Cl)c1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001237122838 819673421 /nfs/dbraw/zinc/67/34/21/819673421.db2.gz ZNSFHAZIGQEXOT-QMTHXVAHSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1ccc(F)c(Cl)c1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001237131812 819674623 /nfs/dbraw/zinc/67/46/23/819674623.db2.gz XMSNIHYVFBTVAU-LAEOZQHASA-N 1 1 273.710 3.117 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237155299 819681523 /nfs/dbraw/zinc/68/15/23/819681523.db2.gz IFGMRYSNSZHMFR-CQSZACIVSA-N 1 1 294.826 3.152 20 10 CGCDMO CC(C)c1ccc(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)c(O)c1 ZINC001237410529 819746700 /nfs/dbraw/zinc/74/67/00/819746700.db2.gz DTFPDEOBFDQBHG-RDJZCZTQSA-N 1 1 288.435 3.090 20 10 CGCDMO Cc1cccc(O)c1C[N@H+](CCN(C)C)Cc1ccccc1 ZINC001237483962 819762003 /nfs/dbraw/zinc/76/20/03/819762003.db2.gz WPFOKNDHLRNLDV-UHFFFAOYSA-N 1 1 298.430 3.264 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+](CCN(C)C)Cc1ccccc1 ZINC001237483962 819762006 /nfs/dbraw/zinc/76/20/06/819762006.db2.gz WPFOKNDHLRNLDV-UHFFFAOYSA-N 1 1 298.430 3.264 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+](C)Cc1cccc(F)c1 ZINC001237484391 819762787 /nfs/dbraw/zinc/76/27/87/819762787.db2.gz DHQBPASBUWRSTP-UHFFFAOYSA-N 1 1 259.324 3.472 20 10 CGCDMO COC(=O)c1cccc(C[N@@H+](C)Cc2c(C)cccc2O)c1 ZINC001237491186 819763888 /nfs/dbraw/zinc/76/38/88/819763888.db2.gz IJEMLULLKZDSSX-UHFFFAOYSA-N 1 1 299.370 3.119 20 10 CGCDMO Oc1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC001237648798 819796668 /nfs/dbraw/zinc/79/66/68/819796668.db2.gz HAOSWHHCPKREEY-AEFFLSMTSA-N 1 1 299.345 3.171 20 10 CGCDMO Oc1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC001237648798 819796673 /nfs/dbraw/zinc/79/66/73/819796673.db2.gz HAOSWHHCPKREEY-AEFFLSMTSA-N 1 1 299.345 3.171 20 10 CGCDMO CC[C@@H]1CCCC[N@H+]1Cc1cc(OC)cc(OC)c1O ZINC001237675696 819803250 /nfs/dbraw/zinc/80/32/50/819803250.db2.gz CQRPBDVEGWBLLK-CYBMUJFWSA-N 1 1 279.380 3.174 20 10 CGCDMO COc1cc(C[N@H+]2CCCC[C@@](C)(F)C2)c(O)c(OC)c1 ZINC001237669147 819803355 /nfs/dbraw/zinc/80/33/55/819803355.db2.gz JBXLEIOUDQQSPU-MRXNPFEDSA-N 1 1 297.370 3.124 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCOC[C@H]2C(C)C)c1O ZINC001237686740 819805755 /nfs/dbraw/zinc/80/57/55/819805755.db2.gz MREVZJXBXXUURD-AWEZNQCLSA-N 1 1 283.799 3.211 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@H]2C(C)C)c1O ZINC001237686740 819805763 /nfs/dbraw/zinc/80/57/63/819805763.db2.gz MREVZJXBXXUURD-AWEZNQCLSA-N 1 1 283.799 3.211 20 10 CGCDMO CC[N@@H+](Cc1cccc2c1OCC2)Cc1ccccc1O ZINC001237752669 819837425 /nfs/dbraw/zinc/83/74/25/819837425.db2.gz HPGZIPRUINBYHT-UHFFFAOYSA-N 1 1 283.371 3.349 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c1O ZINC001238064491 819920927 /nfs/dbraw/zinc/92/09/27/819920927.db2.gz PMEQIKLKUOFNJK-OLZOCXBDSA-N 1 1 263.356 3.462 20 10 CGCDMO Cc1cc(F)cc(C[N@H+](CCCCCO)C(C)C)c1O ZINC001238066763 819922029 /nfs/dbraw/zinc/92/20/29/819922029.db2.gz KRZICOOALHQGEO-UHFFFAOYSA-N 1 1 283.387 3.213 20 10 CGCDMO CCN(c1ccccc1)c1cc(C2=CCC[N@@H+](C)C2)ncn1 ZINC001241568633 821954304 /nfs/dbraw/zinc/95/43/04/821954304.db2.gz VQPVHBFZKSZXBH-UHFFFAOYSA-N 1 1 294.402 3.354 20 10 CGCDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(N)cc1 ZINC001345159774 936804584 /nfs/dbraw/zinc/80/45/84/936804584.db2.gz LDBGUTZVILXSJB-GOSISDBHSA-N 1 1 284.403 3.042 20 10 CGCDMO Cc1cncc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC001348089878 936910516 /nfs/dbraw/zinc/91/05/16/936910516.db2.gz QDUVHFUFBIGIHS-UHFFFAOYSA-N 1 1 291.345 3.024 20 10 CGCDMO CCC[N@@H+](Cc1ccc(N)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC001352786754 937049346 /nfs/dbraw/zinc/04/93/46/937049346.db2.gz AAOLZWDJENXEQD-BRWVUGGUSA-N 1 1 288.435 3.294 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+](C)Cc2cccc(O)c2)c1O ZINC001140178771 926715854 /nfs/dbraw/zinc/71/58/54/926715854.db2.gz XGBJMKWVKOBOJG-UHFFFAOYSA-N 1 1 271.360 3.347 20 10 CGCDMO CC1(C2([NH2+]Cc3cc(F)c(F)cc3O)CC2)CC1 ZINC001560831438 937238093 /nfs/dbraw/zinc/23/80/93/937238093.db2.gz PHOFWVXVTXJIBT-UHFFFAOYSA-N 1 1 253.292 3.093 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+](C)CCc2ccncc2)c1O ZINC001140178884 931957018 /nfs/dbraw/zinc/95/70/18/931957018.db2.gz BJHQIPNFAOMKMP-UHFFFAOYSA-N 1 1 270.376 3.079 20 10 CGCDMO COc1ccc(CNC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1C ZINC001461045060 937561742 /nfs/dbraw/zinc/56/17/42/937561742.db2.gz NIZVCUCOSNUTEK-GOEBONIOSA-N 1 1 290.451 3.214 20 10 CGCDMO COc1ccc(CNC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1C ZINC001461045060 937561743 /nfs/dbraw/zinc/56/17/43/937561743.db2.gz NIZVCUCOSNUTEK-GOEBONIOSA-N 1 1 290.451 3.214 20 10 CGCDMO C[C@@H]1[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CCOC1(C)C ZINC001461961452 937608918 /nfs/dbraw/zinc/60/89/18/937608918.db2.gz RGZCJLUFPGIJOQ-XHPSBEMXSA-N 1 1 288.435 3.265 20 10 CGCDMO CCn1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC001462046246 937614773 /nfs/dbraw/zinc/61/47/73/937614773.db2.gz UVUMZYIDYHREEO-UHFFFAOYSA-N 1 1 298.434 3.134 20 10 CGCDMO CCn1ccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC001462046246 937614775 /nfs/dbraw/zinc/61/47/75/937614775.db2.gz UVUMZYIDYHREEO-UHFFFAOYSA-N 1 1 298.434 3.134 20 10 CGCDMO C[C@@]1([NH2+]Cc2cc(F)c(F)cc2O)CC=CCC1 ZINC001462343801 937633865 /nfs/dbraw/zinc/63/38/65/937633865.db2.gz RHHJGVHETDPJDF-CQSZACIVSA-N 1 1 253.292 3.259 20 10 CGCDMO Oc1cc(Cl)ccc1C[NH2+]CC[C@@H]1CCSC1 ZINC001462510203 937646190 /nfs/dbraw/zinc/64/61/90/937646190.db2.gz QXHMWVKBOXDXGQ-SNVBAGLBSA-N 1 1 271.813 3.278 20 10 CGCDMO C[N@H+](Cc1cc(F)c(F)cc1O)C[C@]12CCC[C@H]1OCC2 ZINC001462666458 937657763 /nfs/dbraw/zinc/65/77/63/937657763.db2.gz LEBXEYVYSGFSMO-HZPDHXFCSA-N 1 1 297.345 3.061 20 10 CGCDMO C[N@@H+](Cc1cc(F)c(F)cc1O)C[C@]12CCC[C@H]1OCC2 ZINC001462666458 937657765 /nfs/dbraw/zinc/65/77/65/937657765.db2.gz LEBXEYVYSGFSMO-HZPDHXFCSA-N 1 1 297.345 3.061 20 10 CGCDMO COc1ccc(CNCC[C@@H](C)[NH+]2CCCCC2)cc1C ZINC001308367083 933102759 /nfs/dbraw/zinc/10/27/59/933102759.db2.gz RBJJZMBOVPLCBG-MRXNPFEDSA-N 1 1 290.451 3.358 20 10 CGCDMO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(N(C)C)cc1C ZINC001308660499 933152272 /nfs/dbraw/zinc/15/22/72/933152272.db2.gz QBBZMVPCRJPOGP-HOCLYGCPSA-N 1 1 276.424 3.060 20 10 CGCDMO CO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2O)C12CCC2 ZINC001308763947 933172903 /nfs/dbraw/zinc/17/29/03/933172903.db2.gz CIPFROYXBWVTJN-HUUCEWRRSA-N 1 1 297.345 3.060 20 10 CGCDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)c(F)cc2O)C12CCC2 ZINC001308763947 933172907 /nfs/dbraw/zinc/17/29/07/933172907.db2.gz CIPFROYXBWVTJN-HUUCEWRRSA-N 1 1 297.345 3.060 20 10 CGCDMO CCc1nc(C[NH2+]Cc2cc(C(C)C)ccc2O)co1 ZINC001308770293 933173942 /nfs/dbraw/zinc/17/39/42/933173942.db2.gz VBQPEUDGUOYLEA-UHFFFAOYSA-N 1 1 274.364 3.356 20 10 CGCDMO CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2O)C1 ZINC001325314289 934903644 /nfs/dbraw/zinc/90/36/44/934903644.db2.gz WPIKSCBDICKTID-ADEWGFFLSA-N 1 1 269.772 3.264 20 10 CGCDMO CCN1CCC[C@H](C[NH2+][C@H](C)c2cc(C)ccc2O)C1 ZINC001325339883 934905434 /nfs/dbraw/zinc/90/54/34/934905434.db2.gz LOKVRBCEYZZETB-HUUCEWRRSA-N 1 1 276.424 3.083 20 10 CGCDMO CC[NH+](CC)[C@H](C)CNCc1ccc(N2CCCC2)cc1 ZINC001326833101 935011034 /nfs/dbraw/zinc/01/10/34/935011034.db2.gz YUGDXMBCDLJCQO-MRXNPFEDSA-N 1 1 289.467 3.107 20 10 CGCDMO CCOc1ncccc1C[NH2+][C@@H](C)c1c(O)cccc1F ZINC001331255227 935362276 /nfs/dbraw/zinc/36/22/76/935362276.db2.gz UZCPSBRCDOOQMC-NSHDSACASA-N 1 1 290.338 3.176 20 10 CGCDMO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1ccc(N)cc1 ZINC001335288193 936137347 /nfs/dbraw/zinc/13/73/47/936137347.db2.gz FPAIQFZIXSMGNX-MRXNPFEDSA-N 1 1 284.407 3.212 20 10 CGCDMO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1ccc(N)cc1 ZINC001335288193 936137351 /nfs/dbraw/zinc/13/73/51/936137351.db2.gz FPAIQFZIXSMGNX-MRXNPFEDSA-N 1 1 284.407 3.212 20 10 CGCDMO COCC[N@@H+](CCCc1ccccc1)Cc1ccc(N)cc1 ZINC001336118253 936176846 /nfs/dbraw/zinc/17/68/46/936176846.db2.gz VDQIHGVIKDYBLY-UHFFFAOYSA-N 1 1 298.430 3.350 20 10 CGCDMO CC[C@H](CNCc1c(C)c2ccccc2n1C)[NH+]1CCCC1 ZINC001473926708 937830216 /nfs/dbraw/zinc/83/02/16/937830216.db2.gz FAEFHWBUPNTNGV-MRXNPFEDSA-N 1 1 299.462 3.451 20 10 CGCDMO CCc1cnc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)s1 ZINC001560298404 938251833 /nfs/dbraw/zinc/25/18/33/938251833.db2.gz DQDDRZFAJIMSRB-UHFFFAOYSA-N 1 1 293.411 3.200 20 10 CGCDMO CCc1ccc[nH+]c1NCc1ccc(N(C)C)c(F)c1 ZINC001560408396 938257299 /nfs/dbraw/zinc/25/72/99/938257299.db2.gz NTIFWOXWGXTHOD-UHFFFAOYSA-N 1 1 273.355 3.461 20 10 CGCDMO CC[C@]1(C)C[N@H+](Cc2cc(Cl)c(C)cc2O)CCO1 ZINC001560761565 938274528 /nfs/dbraw/zinc/27/45/28/938274528.db2.gz JTZBMKSRASGUCO-OAHLLOKOSA-N 1 1 283.799 3.355 20 10 CGCDMO CC[C@]1(C)C[N@@H+](Cc2cc(Cl)c(C)cc2O)CCO1 ZINC001560761565 938274529 /nfs/dbraw/zinc/27/45/29/938274529.db2.gz JTZBMKSRASGUCO-OAHLLOKOSA-N 1 1 283.799 3.355 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001560934120 938284901 /nfs/dbraw/zinc/28/49/01/938284901.db2.gz JKRFNZWLTZTDQK-SCVCMEIPSA-N 1 1 267.319 3.196 20 10 CGCDMO C[C@@]1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCCCO1 ZINC001561030449 938290247 /nfs/dbraw/zinc/29/02/47/938290247.db2.gz NYRFAEMYJVCRSB-AWEZNQCLSA-N 1 1 287.762 3.234 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]Cc2ccc(C[NH3+])cc2)cc1Cl ZINC001579637874 962648054 /nfs/dbraw/zinc/64/80/54/962648054.db2.gz GEGCHERUTWXXIW-UHFFFAOYSA-N 1 1 290.794 3.103 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1C ZINC000092072197 345830525 /nfs/dbraw/zinc/83/05/25/345830525.db2.gz FVRFEIYKSVTMED-CQSZACIVSA-N 1 1 285.391 3.112 20 10 CGCDMO OC[C@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000092470823 345841030 /nfs/dbraw/zinc/84/10/30/345841030.db2.gz JJWJCZXMAAYZLU-QGZVFWFLSA-N 1 1 283.371 3.016 20 10 CGCDMO C[C@@H](CCN(C)C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000049553581 369409072 /nfs/dbraw/zinc/40/90/72/369409072.db2.gz GWJKKVQXPPFBHT-INIZCTEOSA-N 1 1 289.467 3.107 20 10 CGCDMO C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc(F)cc1O ZINC000273554521 299406598 /nfs/dbraw/zinc/40/65/98/299406598.db2.gz GRERCVNWDBXCIC-BLLLJJGKSA-N 1 1 289.350 3.306 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@@H](c3ccco3)C2)cc1C ZINC000093841412 370165553 /nfs/dbraw/zinc/16/55/53/370165553.db2.gz WCPSXBQFDAFUCG-QGZVFWFLSA-N 1 1 287.359 3.176 20 10 CGCDMO CCc1nc(C[N@H+](C)Cc2ccccc2O)cs1 ZINC000111236457 370395029 /nfs/dbraw/zinc/39/50/29/370395029.db2.gz DDMNBWXBEZGPGD-UHFFFAOYSA-N 1 1 262.378 3.043 20 10 CGCDMO CCc1nc(C[N@@H+](C)Cc2ccccc2O)cs1 ZINC000111236457 370395032 /nfs/dbraw/zinc/39/50/32/370395032.db2.gz DDMNBWXBEZGPGD-UHFFFAOYSA-N 1 1 262.378 3.043 20 10 CGCDMO COCCc1cc[nH+]c(N[C@H](C)c2ccc(C)cc2O)c1 ZINC000287646749 371689746 /nfs/dbraw/zinc/68/97/46/371689746.db2.gz UUAINWGPEDHXTQ-CYBMUJFWSA-N 1 1 286.375 3.458 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccc(F)cc1O ZINC000287746010 371701028 /nfs/dbraw/zinc/70/10/28/371701028.db2.gz ZABKQDWDMLYPDU-GXFFZTMASA-N 1 1 269.385 3.325 20 10 CGCDMO C[C@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(F)cc1O ZINC000160722635 372271189 /nfs/dbraw/zinc/27/11/89/372271189.db2.gz WGQSPKIHSJSVAT-LBPRGKRZSA-N 1 1 280.387 3.056 20 10 CGCDMO C[C@H]([NH2+]CC1CC(F)(F)C1)c1ccc(F)cc1O ZINC000293785115 372481068 /nfs/dbraw/zinc/48/10/68/372481068.db2.gz UBRLYCAHJPMZRD-QMMMGPOBSA-N 1 1 259.271 3.227 20 10 CGCDMO C[C@H]1C[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000293660816 372440786 /nfs/dbraw/zinc/44/07/86/372440786.db2.gz PPJJWUGDMAGTIV-VHSXEESVSA-N 1 1 287.762 3.089 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC(C)(C)[C@@H]2c2ccncc2)c1 ZINC000293968539 372540100 /nfs/dbraw/zinc/54/01/00/372540100.db2.gz QKJZEKNRDSKNDY-KRWDZBQOSA-N 1 1 298.386 3.379 20 10 CGCDMO CCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccccc1O ZINC000170779095 372662055 /nfs/dbraw/zinc/66/20/55/372662055.db2.gz ORPKJUPVPBPXFV-UHFFFAOYSA-N 1 1 287.407 3.155 20 10 CGCDMO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2c(C)cc(C)cc2O)n[nH]1 ZINC000294678362 372666495 /nfs/dbraw/zinc/66/64/95/372666495.db2.gz HZLRMWRQXIBUPX-TZMCWYRMSA-N 1 1 287.407 3.322 20 10 CGCDMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000294719212 372668127 /nfs/dbraw/zinc/66/81/27/372668127.db2.gz VNFWZUPEJBSGDT-SFHVURJKSA-N 1 1 290.451 3.046 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)c1O ZINC000295167888 372696400 /nfs/dbraw/zinc/69/64/00/372696400.db2.gz FQSPUNTXVHLDCA-CQSZACIVSA-N 1 1 297.826 3.337 20 10 CGCDMO Cc1nocc1C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000295243650 372715512 /nfs/dbraw/zinc/71/55/12/372715512.db2.gz FDMUOXAIDDYGFT-UHFFFAOYSA-N 1 1 287.407 3.460 20 10 CGCDMO CC(F)(F)CC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000296069693 373013166 /nfs/dbraw/zinc/01/31/66/373013166.db2.gz PTLGCJFWHPBYGI-UHFFFAOYSA-N 1 1 267.678 3.320 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)CCCCO)c1ccc(F)cc1O ZINC000296272391 373074755 /nfs/dbraw/zinc/07/47/55/373074755.db2.gz DRPNKGHXGSZCIV-BXUZGUMPSA-N 1 1 269.360 3.123 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)C2CCN(C(C)C)CC2)cc1C ZINC000298151511 373289973 /nfs/dbraw/zinc/28/99/73/373289973.db2.gz AZDWPFNKQYNEGS-UHFFFAOYSA-N 1 1 290.451 3.314 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)C2CCN(C(C)C)CC2)cc1C ZINC000298151511 373289977 /nfs/dbraw/zinc/28/99/77/373289977.db2.gz AZDWPFNKQYNEGS-UHFFFAOYSA-N 1 1 290.451 3.314 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](CCc2ccncc2)C2CC2)cc1 ZINC000298708164 373388035 /nfs/dbraw/zinc/38/80/35/373388035.db2.gz JXJZJHUKAOHCHO-UHFFFAOYSA-N 1 1 295.430 3.355 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)Cc2ccc(F)c(F)c2)c1 ZINC000179680813 373902999 /nfs/dbraw/zinc/90/29/99/373902999.db2.gz WYKVWOAUWQRJFV-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO CC[N@@H+](Cc1cccs1)Cc1cc(OC)ccc1O ZINC000179604201 373893270 /nfs/dbraw/zinc/89/32/70/373893270.db2.gz XPMWBRBGGVYGRM-UHFFFAOYSA-N 1 1 277.389 3.484 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H]2C2CCC2)c1 ZINC000179954524 373946787 /nfs/dbraw/zinc/94/67/87/373946787.db2.gz KIPXGHWYXXFGMT-HNNXBMFYSA-N 1 1 261.365 3.165 20 10 CGCDMO C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc(Cl)ccc1[O-] ZINC000185356350 374645661 /nfs/dbraw/zinc/64/56/61/374645661.db2.gz JXZODEIXLTTZAU-GFCCVEGCSA-N 1 1 296.842 3.428 20 10 CGCDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2c(O)cccc2Cl)C1 ZINC000271198924 378479380 /nfs/dbraw/zinc/47/93/80/378479380.db2.gz VSRKLKJGKAUEGB-ZDUSSCGKSA-N 1 1 296.842 3.209 20 10 CGCDMO COC1CCC([N@@H+](C)Cc2cccc(C)c2O)CC1 ZINC000271780087 378505064 /nfs/dbraw/zinc/50/50/64/378505064.db2.gz HLFNNBIUICAIMW-UHFFFAOYSA-N 1 1 263.381 3.090 20 10 CGCDMO CCC[N@@H+](Cc1ccc(OC)cn1)Cc1ccccc1O ZINC000271897383 378511457 /nfs/dbraw/zinc/51/14/57/378511457.db2.gz GCVBCBMXUKXXOZ-UHFFFAOYSA-N 1 1 286.375 3.208 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc(F)cc1O ZINC000273530854 378751833 /nfs/dbraw/zinc/75/18/33/378751833.db2.gz WGVPTWIQTSGMPO-AAEUAGOBSA-N 1 1 279.355 3.284 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375320200 379490846 /nfs/dbraw/zinc/49/08/46/379490846.db2.gz MUHUCIPWNLEIET-HIFRSBDPSA-N 1 1 281.783 3.189 20 10 CGCDMO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H]1c1nccs1 ZINC000378492628 379832037 /nfs/dbraw/zinc/83/20/37/379832037.db2.gz HIELIZQSIDYXRH-LBPRGKRZSA-N 1 1 278.352 3.325 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@H]1c1nccs1 ZINC000378492628 379832042 /nfs/dbraw/zinc/83/20/42/379832042.db2.gz HIELIZQSIDYXRH-LBPRGKRZSA-N 1 1 278.352 3.325 20 10 CGCDMO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)c(O)c1 ZINC000283936448 380107280 /nfs/dbraw/zinc/10/72/80/380107280.db2.gz FFSQVAASHHQNOI-HUUCEWRRSA-N 1 1 288.435 3.144 20 10 CGCDMO CC[C@H]([NH2+]CCc1nccs1)c1ccc(F)cc1O ZINC000286217286 380177584 /nfs/dbraw/zinc/17/75/84/380177584.db2.gz SFDZUMKIAVHMGU-LBPRGKRZSA-N 1 1 280.368 3.271 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccc(F)cc1O ZINC000285518123 380150982 /nfs/dbraw/zinc/15/09/82/380150982.db2.gz BAYBGSMUGNCNBI-TZMCWYRMSA-N 1 1 267.344 3.141 20 10 CGCDMO COCC[C@H]1CCCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000364253220 382267517 /nfs/dbraw/zinc/26/75/17/382267517.db2.gz LGBDQGRWJHLBGR-OAHLLOKOSA-N 1 1 277.408 3.339 20 10 CGCDMO CCN1CC[C@H]([N@H+](C)Cc2cc(C)c(C)cc2O)[C@H](C)C1 ZINC000093638973 392239463 /nfs/dbraw/zinc/23/94/63/392239463.db2.gz CPRLMNAQQJONDA-WBVHZDCISA-N 1 1 290.451 3.171 20 10 CGCDMO CCN1CC[C@H]([N@@H+](C)Cc2cc(C)c(C)cc2O)[C@H](C)C1 ZINC000093638973 392239465 /nfs/dbraw/zinc/23/94/65/392239465.db2.gz CPRLMNAQQJONDA-WBVHZDCISA-N 1 1 290.451 3.171 20 10 CGCDMO CCSCC[C@@H](C)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000093871054 392241079 /nfs/dbraw/zinc/24/10/79/392241079.db2.gz NQIUSTUKTTYKAO-LLVKDONJSA-N 1 1 297.420 3.084 20 10 CGCDMO C[N@H+](Cc1c(O)cccc1Cl)C[C@@H]1CCCCO1 ZINC000132604171 392461603 /nfs/dbraw/zinc/46/16/03/392461603.db2.gz SGVMQTITSOJTCO-NSHDSACASA-N 1 1 269.772 3.047 20 10 CGCDMO CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1cccc(Cl)c1[O-] ZINC000287681911 392402935 /nfs/dbraw/zinc/40/29/35/392402935.db2.gz MROFXGIFVOEUDE-CQSZACIVSA-N 1 1 293.798 3.291 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)Cc2cnc(C)s2)c1O ZINC000179382089 392699505 /nfs/dbraw/zinc/69/95/05/392699505.db2.gz WSMOMZKYRLGPQF-UHFFFAOYSA-N 1 1 292.404 3.188 20 10 CGCDMO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccccc2O)C2CC2)c1 ZINC000179557507 392702466 /nfs/dbraw/zinc/70/24/66/392702466.db2.gz QBIYNEQDUVTOIF-UHFFFAOYSA-N 1 1 298.342 3.465 20 10 CGCDMO COc1cc(O)c(C[N@@H+](CC2CCC2)C(C)C)cc1OC ZINC000195077522 392955976 /nfs/dbraw/zinc/95/59/76/392955976.db2.gz PJXFBRJBMCRZPO-UHFFFAOYSA-N 1 1 293.407 3.420 20 10 CGCDMO C[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])C[NH+]1CCCCC1 ZINC000038041810 174043186 /nfs/dbraw/zinc/04/31/86/174043186.db2.gz BZGCDFPEMUBKQT-ZDUSSCGKSA-N 1 1 296.842 3.257 20 10 CGCDMO C[C@H](C[N@@H+](C)Cc1ccc(N(C)C)cc1)c1nccs1 ZINC000183255181 261968562 /nfs/dbraw/zinc/96/85/62/261968562.db2.gz RXPIEZWTZSHMEO-CYBMUJFWSA-N 1 1 289.448 3.445 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+](C)C2CCC2)c1O ZINC000184695212 262025562 /nfs/dbraw/zinc/02/55/62/262025562.db2.gz OIUZOXRCMXAGSS-UHFFFAOYSA-N 1 1 255.745 3.039 20 10 CGCDMO Cc1noc(C)c1CC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185395869 262052680 /nfs/dbraw/zinc/05/26/80/262052680.db2.gz SGVYUZCADPEBCW-VIFPVBQESA-N 1 1 278.327 3.029 20 10 CGCDMO Cc1noc(C)c1CC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185395888 262053143 /nfs/dbraw/zinc/05/31/43/262053143.db2.gz SGVYUZCADPEBCW-SECBINFHSA-N 1 1 278.327 3.029 20 10 CGCDMO CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185614752 262062375 /nfs/dbraw/zinc/06/23/75/262062375.db2.gz AMEVHZROEQVDNL-QWHCGFSZSA-N 1 1 283.387 3.227 20 10 CGCDMO CC[N@H+](Cc1ccncc1)Cc1c(O)cccc1Cl ZINC000289728023 263111670 /nfs/dbraw/zinc/11/16/70/263111670.db2.gz HRCQGRKTNJPNCR-UHFFFAOYSA-N 1 1 276.767 3.463 20 10 CGCDMO CC[N@@H+](Cc1ccncc1)Cc1c(O)cccc1Cl ZINC000289728023 263111671 /nfs/dbraw/zinc/11/16/71/263111671.db2.gz HRCQGRKTNJPNCR-UHFFFAOYSA-N 1 1 276.767 3.463 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2O)CC1 ZINC000370704656 267341093 /nfs/dbraw/zinc/34/10/93/267341093.db2.gz ALGIHHMKJUOGDZ-HNNXBMFYSA-N 1 1 263.381 3.010 20 10 CGCDMO COc1ccc(N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000120131493 267384966 /nfs/dbraw/zinc/38/49/66/267384966.db2.gz AYFKLWPUFPDROJ-UHFFFAOYSA-N 1 1 274.408 3.150 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)[C@@H](C)C2(C)CC2)c1O ZINC000091900545 327187415 /nfs/dbraw/zinc/18/74/15/327187415.db2.gz QIAJSIHORGXROR-LBPRGKRZSA-N 1 1 263.381 3.411 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000377827033 329030586 /nfs/dbraw/zinc/03/05/86/329030586.db2.gz SDCILQVHARRUAJ-KGLIPLIRSA-N 1 1 293.382 3.170 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000377827033 329030587 /nfs/dbraw/zinc/03/05/87/329030587.db2.gz SDCILQVHARRUAJ-KGLIPLIRSA-N 1 1 293.382 3.170 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@@H](C3CC3)C2)c1O ZINC000378349430 329047270 /nfs/dbraw/zinc/04/72/70/329047270.db2.gz OMADAVSIGLOFNE-CYBMUJFWSA-N 1 1 261.365 3.023 20 10 CGCDMO Oc1ccc(C2=CC[N@@H+](Cc3ccccc3O)CC2)cc1 ZINC000179558325 329209725 /nfs/dbraw/zinc/20/97/25/329209725.db2.gz NJYDVQRDUSTZRP-UHFFFAOYSA-N 1 1 281.355 3.387 20 10 CGCDMO CC[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc(F)cc1O ZINC000527922896 330295924 /nfs/dbraw/zinc/29/59/24/330295924.db2.gz BXHBOJJZKMHPDH-SWLSCSKDSA-N 1 1 281.371 3.389 20 10 CGCDMO C[C@H]([NH2+][C@@H](C)c1ncccc1F)c1ccc(F)cc1O ZINC000528036660 330302895 /nfs/dbraw/zinc/30/28/95/330302895.db2.gz WXUFRMKZUVTSOK-UWVGGRQHSA-N 1 1 278.302 3.477 20 10 CGCDMO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC000274906360 519284538 /nfs/dbraw/zinc/28/45/38/519284538.db2.gz IOMXHKVSCRCBKN-GJZGRUSLSA-N 1 1 281.371 3.215 20 10 CGCDMO CC[N@@H+](Cc1cccc(OC)c1O)[C@@H]1CCOC(C)(C)C1 ZINC000291583973 521354861 /nfs/dbraw/zinc/35/48/61/521354861.db2.gz PDHSIMGILBSSEN-CQSZACIVSA-N 1 1 293.407 3.180 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H](O)C(C)(C)C ZINC000290259887 521689930 /nfs/dbraw/zinc/68/99/30/521689930.db2.gz KPEWJNMLTJDRFM-HNNXBMFYSA-N 1 1 265.397 3.011 20 10 CGCDMO CC[C@]1(CO)CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000275132876 523617244 /nfs/dbraw/zinc/61/72/44/523617244.db2.gz LIMRYHJTKYUEGD-HNNXBMFYSA-N 1 1 283.799 3.030 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)c1O ZINC000290343740 524862382 /nfs/dbraw/zinc/86/23/82/524862382.db2.gz FQORHXONPRIIBE-DOMZBBRYSA-N 1 1 296.842 3.126 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](N3CCCCC3)C2)cc1C ZINC000264561895 525320049 /nfs/dbraw/zinc/32/00/49/525320049.db2.gz FSFDKAQPNZJTJW-KRWDZBQOSA-N 1 1 288.435 3.069 20 10 CGCDMO Cc1cc(O)c(CN2CC[C@H]([NH+]3CCCCC3)C2)cc1C ZINC000264561895 525320063 /nfs/dbraw/zinc/32/00/63/525320063.db2.gz FSFDKAQPNZJTJW-KRWDZBQOSA-N 1 1 288.435 3.069 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1 ZINC000290998902 525337770 /nfs/dbraw/zinc/33/77/70/525337770.db2.gz AQEWWBFVUOJFOZ-HOTGVXAUSA-N 1 1 275.392 3.090 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)c1 ZINC000289945231 525342001 /nfs/dbraw/zinc/34/20/01/525342001.db2.gz YMRVTEIYQWWVKT-GDBMZVCRSA-N 1 1 277.408 3.216 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(F)cc1O ZINC000062745158 525446641 /nfs/dbraw/zinc/44/66/41/525446641.db2.gz GKDISZPGCXYVEN-LBPRGKRZSA-N 1 1 288.366 3.448 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C1(C2CC2)CCOCC1 ZINC000365139950 526344788 /nfs/dbraw/zinc/34/47/88/526344788.db2.gz QNWVSIHGUIJLCT-UHFFFAOYSA-N 1 1 299.773 3.234 20 10 CGCDMO Cc1ncc(C[NH2+][C@H](C)c2ccc(F)cc2O)s1 ZINC000062748067 527277590 /nfs/dbraw/zinc/27/75/90/527277590.db2.gz ANUCDJHDPOYLGL-MRVPVSSYSA-N 1 1 266.341 3.147 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCOC2)cc1C(C)C ZINC000730260830 572333925 /nfs/dbraw/zinc/33/39/25/572333925.db2.gz VNPJTIVBXVGJQE-CQSZACIVSA-N 1 1 263.381 3.045 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCOCC2CC2)cc1 ZINC000741774399 572525217 /nfs/dbraw/zinc/52/52/17/572525217.db2.gz BGVXVIHUXUPZMF-UHFFFAOYSA-N 1 1 290.451 3.391 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846117137 618073947 /nfs/dbraw/zinc/07/39/47/618073947.db2.gz NFGNIVJRXQAMBG-GFCCVEGCSA-N 1 1 273.710 3.277 20 10 CGCDMO COC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160193840 617615551 /nfs/dbraw/zinc/61/55/51/617615551.db2.gz PGAOLWWMAMMAFC-CQSZACIVSA-N 1 1 289.419 3.129 20 10 CGCDMO C[N@@H+](Cc1cc2c(cc1O)CCCC2)[C@@H]1CCSC1 ZINC000160499505 618079326 /nfs/dbraw/zinc/07/93/26/618079326.db2.gz AEDMGCJGRZXNLF-OAHLLOKOSA-N 1 1 277.433 3.208 20 10 CGCDMO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccc(N(C)C)cc1 ZINC000093513455 618204709 /nfs/dbraw/zinc/20/47/09/618204709.db2.gz DTUSHTKYDGZMDX-WBVHZDCISA-N 1 1 289.467 3.153 20 10 CGCDMO C[N@@H+](Cc1cccc(-n2cccn2)c1)Cc1ccccc1O ZINC000091956495 618369616 /nfs/dbraw/zinc/36/96/16/618369616.db2.gz ZYNDDZFTNIYEGZ-UHFFFAOYSA-N 1 1 293.370 3.210 20 10 CGCDMO C[C@H]([NH2+]CCN(C)c1ccccc1)c1ccc(F)cc1O ZINC000184952016 625285045 /nfs/dbraw/zinc/28/50/45/625285045.db2.gz VUVWHVOXHYQMFT-ZDUSSCGKSA-N 1 1 288.366 3.318 20 10 CGCDMO C[C@H]([NH2+]CCOc1cccc(F)c1)c1ccc(F)cc1O ZINC000185106265 625302074 /nfs/dbraw/zinc/30/20/74/625302074.db2.gz DWRTYUBGLDQOJU-NSHDSACASA-N 1 1 293.313 3.400 20 10 CGCDMO Cc1cc(O)c(CN[C@@H]2CCC[C@H]([NH+](C)C)C2)c(Cl)c1 ZINC000840903245 619081367 /nfs/dbraw/zinc/08/13/67/619081367.db2.gz LCKURHHEAMQDRD-OLZOCXBDSA-N 1 1 296.842 3.316 20 10 CGCDMO C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc2ccccc2c1[O-] ZINC000925793692 619251120 /nfs/dbraw/zinc/25/11/20/619251120.db2.gz AGTBTNQIGYKSID-IJEWVQPXSA-N 1 1 298.430 3.442 20 10 CGCDMO COc1cc(C)cc(CNc2[nH+]cccc2C)c1O ZINC000894189909 619408474 /nfs/dbraw/zinc/40/84/74/619408474.db2.gz HONUQVCXHKKWDQ-UHFFFAOYSA-N 1 1 258.321 3.025 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)[C@H](C)c2ccncc2)c1O ZINC000894450376 619542536 /nfs/dbraw/zinc/54/25/36/619542536.db2.gz ZXLZDLYRXNGBLB-CYBMUJFWSA-N 1 1 286.375 3.297 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](OCC(C)C)C2)c1 ZINC000164492969 619704792 /nfs/dbraw/zinc/70/47/92/619704792.db2.gz SLVWGEXTFRSQOE-INIZCTEOSA-N 1 1 277.408 3.256 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000895185681 619772797 /nfs/dbraw/zinc/77/27/97/619772797.db2.gz CCWHWGQSDMWCJO-CQSZACIVSA-N 1 1 297.345 3.204 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000895185681 619772802 /nfs/dbraw/zinc/77/28/02/619772802.db2.gz CCWHWGQSDMWCJO-CQSZACIVSA-N 1 1 297.345 3.204 20 10 CGCDMO C[C@@H](CCNCc1ccc(N2CCCCC2)cc1)[NH+](C)C ZINC000895300362 619799822 /nfs/dbraw/zinc/79/98/22/619799822.db2.gz UYUJINZLHPYFDT-INIZCTEOSA-N 1 1 289.467 3.107 20 10 CGCDMO COCCCC1(C[N@H+]2Cc3cccc(O)c3C2)CCC1 ZINC000895786028 619885506 /nfs/dbraw/zinc/88/55/06/619885506.db2.gz WIHHXCXJHROGCD-UHFFFAOYSA-N 1 1 275.392 3.305 20 10 CGCDMO COc1cccc(C[N@H+]2CCSC[C@@H]2C2CCC2)c1O ZINC000841893194 619887312 /nfs/dbraw/zinc/88/73/12/619887312.db2.gz GJOCOCDWERSAOM-CQSZACIVSA-N 1 1 293.432 3.118 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@H+](C)CCCF)c1 ZINC000895895726 619905022 /nfs/dbraw/zinc/90/50/22/619905022.db2.gz DSGPMDDDEZPHCY-UHFFFAOYSA-N 1 1 290.176 3.255 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)CCCF)c1 ZINC000895895726 619905029 /nfs/dbraw/zinc/90/50/29/619905029.db2.gz DSGPMDDDEZPHCY-UHFFFAOYSA-N 1 1 290.176 3.255 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)CCCF)cc1 ZINC000895896112 619905159 /nfs/dbraw/zinc/90/51/59/619905159.db2.gz MTJCCTXEMXSRNC-XQRVVYSFSA-N 1 1 250.361 3.057 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896226716 619970088 /nfs/dbraw/zinc/97/00/88/619970088.db2.gz HZZCQRYIGHVXQH-LBPRGKRZSA-N 1 1 289.272 3.259 20 10 CGCDMO Cc1cccc(C[N@H+]2CCS[C@@H](C(F)(F)F)C2)c1O ZINC000896455956 620011513 /nfs/dbraw/zinc/01/15/13/620011513.db2.gz LYYOLUPRXPGZLL-LLVKDONJSA-N 1 1 291.338 3.180 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000897387017 620279811 /nfs/dbraw/zinc/27/98/11/620279811.db2.gz ALFDRLIIBMHWJU-AWEZNQCLSA-N 1 1 299.773 3.376 20 10 CGCDMO CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841743950 620345147 /nfs/dbraw/zinc/34/51/47/620345147.db2.gz DMJUEDDIKCGPQP-NEPJUHHUSA-N 1 1 282.815 3.038 20 10 CGCDMO CCC[C@@H]1C[N@@H+](Cc2cc(C)cc(C)c2O)CCO1 ZINC000152471577 620377603 /nfs/dbraw/zinc/37/76/03/620377603.db2.gz OQUYFTWTFYIKGH-OAHLLOKOSA-N 1 1 263.381 3.010 20 10 CGCDMO CO[C@H](C[NH2+][C@H](C)c1ccc(F)cc1O)CC(C)C ZINC000841755617 620398528 /nfs/dbraw/zinc/39/85/28/620398528.db2.gz KJLUZBBLHHKSHV-YPMHNXCESA-N 1 1 269.360 3.243 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CCOC12CCCCC2 ZINC000897727836 620421638 /nfs/dbraw/zinc/42/16/38/620421638.db2.gz SXRAXRKUSGEKGI-AWEZNQCLSA-N 1 1 297.345 3.252 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898318130 620511254 /nfs/dbraw/zinc/51/12/54/620511254.db2.gz OIUHJDYPVGXSDR-HNNXBMFYSA-N 1 1 290.313 3.306 20 10 CGCDMO CC[C@@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1cccc(Cl)c1[O-] ZINC000902447285 621328163 /nfs/dbraw/zinc/32/81/63/621328163.db2.gz YGBPEEAHZGPSHV-OLZOCXBDSA-N 1 1 282.815 3.084 20 10 CGCDMO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000902634657 621390045 /nfs/dbraw/zinc/39/00/45/621390045.db2.gz OUECROFMQIDGGV-WBVHZDCISA-N 1 1 271.360 3.155 20 10 CGCDMO C[C@@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1c(O)cccc1F ZINC000903281201 621661010 /nfs/dbraw/zinc/66/10/10/621661010.db2.gz YYHKRNKHCWUGJL-CIMLABBMSA-N 1 1 279.355 3.140 20 10 CGCDMO C[N@@H+](CCn1cccn1)Cc1ccc(N2CCCCC2)cc1 ZINC000058395871 622923831 /nfs/dbraw/zinc/92/38/31/622923831.db2.gz JFVCLSOISGSMOG-UHFFFAOYSA-N 1 1 298.434 3.005 20 10 CGCDMO C[C@@H]([NH2+]CCC(F)(F)F)c1ccc(F)cc1O ZINC000063099729 623296836 /nfs/dbraw/zinc/29/68/36/623296836.db2.gz BDGIUKNJYXSGTO-SSDOTTSWSA-N 1 1 251.223 3.134 20 10 CGCDMO CC(C)OCC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917074230 624233100 /nfs/dbraw/zinc/23/31/00/624233100.db2.gz VAGQOJDOYOPAEB-UHFFFAOYSA-N 1 1 276.424 3.142 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](CCC(C)C)C2CC2)c1 ZINC000179678268 624674888 /nfs/dbraw/zinc/67/48/88/624674888.db2.gz FNONQDSRXXOWMP-UHFFFAOYSA-N 1 1 263.381 3.411 20 10 CGCDMO CC[N@@H+](Cc1cc(OC)ccc1O)[C@H](C)C(C)C ZINC000179885700 624694814 /nfs/dbraw/zinc/69/48/14/624694814.db2.gz RGEDTBBVXBTCMI-GFCCVEGCSA-N 1 1 251.370 3.267 20 10 CGCDMO COc1cccc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)c1O ZINC000180765234 624771383 /nfs/dbraw/zinc/77/13/83/624771383.db2.gz IKNXBNLLDLGTSI-CFVMTHIKSA-N 1 1 275.392 3.411 20 10 CGCDMO CC(C)n1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)n1 ZINC000921761781 625866266 /nfs/dbraw/zinc/86/62/66/625866266.db2.gz BEKQQUFCNQXAEZ-UHFFFAOYSA-N 1 1 285.391 3.079 20 10 CGCDMO Oc1ccc(Cl)cc1C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000922578945 626015204 /nfs/dbraw/zinc/01/52/04/626015204.db2.gz FYDFNEZVVPVQQP-AWEZNQCLSA-N 1 1 289.766 3.077 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c1O ZINC000155094838 626025923 /nfs/dbraw/zinc/02/59/23/626025923.db2.gz QRKQOLOMXDIEGY-MRXNPFEDSA-N 1 1 297.398 3.465 20 10 CGCDMO CC1(C)C[C@@H](C[NH2+]Cc2cc(F)cc(F)c2O)C(C)(C)O1 ZINC000922949488 626106298 /nfs/dbraw/zinc/10/62/98/626106298.db2.gz ZWKVVWWSEQRPHI-NSHDSACASA-N 1 1 299.361 3.354 20 10 CGCDMO COc1ccc(N2CCC[N@@H+](CC3(C)CCC3)CC2)cc1 ZINC000774854510 626181325 /nfs/dbraw/zinc/18/13/25/626181325.db2.gz VVLZLHWIAZEWPI-UHFFFAOYSA-N 1 1 288.435 3.398 20 10 CGCDMO CCN(CC)c1ccc(C[NH2+]Cc2cnc(C)o2)cc1F ZINC000839170659 626325070 /nfs/dbraw/zinc/32/50/70/626325070.db2.gz QZLKUQPRQPOOHR-UHFFFAOYSA-N 1 1 291.370 3.258 20 10 CGCDMO CN1CCN(c2ccc(C[NH2+][C@@]3(C)CC=CCC3)cc2)CC1 ZINC000839191859 626328767 /nfs/dbraw/zinc/32/87/67/626328767.db2.gz KYSLVCGUYBSWMJ-IBGZPJMESA-N 1 1 299.462 3.027 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CC(C)(C)C1 ZINC000753576848 626456205 /nfs/dbraw/zinc/45/62/05/626456205.db2.gz VGOQTDJADNGHCS-LLVKDONJSA-N 1 1 251.345 3.399 20 10 CGCDMO C[C@@H]1CSCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000754157159 626561471 /nfs/dbraw/zinc/56/14/71/626561471.db2.gz ZYQXEZBGPFQEPX-LBPRGKRZSA-N 1 1 282.428 3.077 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CC[C@H](c3ccco3)C2)c1O ZINC000754725990 626585118 /nfs/dbraw/zinc/58/51/18/626585118.db2.gz IYLXHEWMRLNOSW-ZDUSSCGKSA-N 1 1 287.359 3.292 20 10 CGCDMO C[C@H]([NH2+]Cc1cn2ccsc2n1)c1ccc(F)cc1O ZINC000756455427 626707204 /nfs/dbraw/zinc/70/72/04/626707204.db2.gz KSJMITIBKOSGDW-VIFPVBQESA-N 1 1 291.351 3.091 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)C2)c1 ZINC000756467784 626707515 /nfs/dbraw/zinc/70/75/15/626707515.db2.gz YONSOJCQUCVOKF-MBNYWOFBSA-N 1 1 291.391 3.408 20 10 CGCDMO CC[C@@H]1CCCCN1CC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000756575922 626716719 /nfs/dbraw/zinc/71/67/19/626716719.db2.gz RIHRYLSJSMRCFS-DZGCQCFKSA-N 1 1 294.414 3.446 20 10 CGCDMO CCC[C@H](CC)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000756681175 626726221 /nfs/dbraw/zinc/72/62/21/626726221.db2.gz HSXXRAIITAKFLY-YPMHNXCESA-N 1 1 279.380 3.408 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000839634638 626768965 /nfs/dbraw/zinc/76/89/65/626768965.db2.gz DYRIBXGMUKXECD-MOPGFXCFSA-N 1 1 296.414 3.061 20 10 CGCDMO CCCN(CCC)c1ccc(C[N@@H+](C)[C@H](C)CO)cc1 ZINC000809745770 626980862 /nfs/dbraw/zinc/98/08/62/626980862.db2.gz MLOWXHNSMADAQK-OAHLLOKOSA-N 1 1 278.440 3.126 20 10 CGCDMO CCOc1cccc(C[N@@H+](CC)CCC2CC2)c1O ZINC000761226939 627026792 /nfs/dbraw/zinc/02/67/92/627026792.db2.gz XMJGJVZCUAIREH-UHFFFAOYSA-N 1 1 263.381 3.413 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CC3(CCC3)C[C@H]2C)c1O ZINC000762145045 627095283 /nfs/dbraw/zinc/09/52/83/627095283.db2.gz SFORZZPGMZKNNB-CYBMUJFWSA-N 1 1 275.392 3.474 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](C3CC3)C1)CCC2 ZINC000763332444 627152122 /nfs/dbraw/zinc/15/21/22/627152122.db2.gz MELJDABGIXAIBH-HNNXBMFYSA-N 1 1 257.377 3.113 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c1 ZINC000768183142 627466365 /nfs/dbraw/zinc/46/63/65/627466365.db2.gz MMPNGLFMJSLAGO-UHFFFAOYSA-N 1 1 299.370 3.104 20 10 CGCDMO CCC[C@@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000768439068 627479655 /nfs/dbraw/zinc/47/96/55/627479655.db2.gz GBKWWKRZMJEKOU-LLVKDONJSA-N 1 1 267.369 3.030 20 10 CGCDMO COc1cc(C[N@@H+](C)[C@@H](C)C(C)C)c(O)cc1C ZINC000768439856 627480133 /nfs/dbraw/zinc/48/01/33/627480133.db2.gz NWKBBQNNKSPCHG-LBPRGKRZSA-N 1 1 251.370 3.186 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@H]2C2CC2)c(O)cc1C ZINC000768453371 627480771 /nfs/dbraw/zinc/48/07/71/627480771.db2.gz WELFCKBOROHTCP-AWEZNQCLSA-N 1 1 261.365 3.084 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCc3ccc(O)cc3C2)c1O ZINC000768869202 627504808 /nfs/dbraw/zinc/50/48/08/627504808.db2.gz QYKXEHFXKBEECP-UHFFFAOYSA-N 1 1 299.370 3.055 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000769311670 627539556 /nfs/dbraw/zinc/53/95/56/627539556.db2.gz NWLMOHQTYYGZDS-AWEZNQCLSA-N 1 1 291.782 3.079 20 10 CGCDMO CCOc1ccc(C[N@@H+](CCCO)CC(C)(C)C)c(O)c1 ZINC000769344261 627544240 /nfs/dbraw/zinc/54/42/40/627544240.db2.gz WTBAOEZOUGTAOK-UHFFFAOYSA-N 1 1 295.423 3.021 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)C2CCC(OC)CC2)c(O)c1 ZINC000769424427 627550992 /nfs/dbraw/zinc/55/09/92/627550992.db2.gz AFYDQJOFDHJDBW-UHFFFAOYSA-N 1 1 293.407 3.180 20 10 CGCDMO C[C@H]1SCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000769446242 627552997 /nfs/dbraw/zinc/55/29/97/627552997.db2.gz LAZWJSBXBOLHCV-NWDGAFQWSA-N 1 1 282.428 3.218 20 10 CGCDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769448550 627553723 /nfs/dbraw/zinc/55/37/23/627553723.db2.gz ULERGGPDSMODHS-RDJZCZTQSA-N 1 1 288.435 3.144 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CCS1 ZINC000769447875 627553833 /nfs/dbraw/zinc/55/38/33/627553833.db2.gz ZGZXXXHETSCBLZ-ZDUSSCGKSA-N 1 1 282.428 3.219 20 10 CGCDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000769470726 627557580 /nfs/dbraw/zinc/55/75/80/627557580.db2.gz OGOOKDCQRZUCNG-NWDGAFQWSA-N 1 1 250.361 3.122 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC[C@@](C)(CC)C2)c(O)c1 ZINC000769519724 627562297 /nfs/dbraw/zinc/56/22/97/627562297.db2.gz ZZBDTYQGJQTPAP-MRXNPFEDSA-N 1 1 263.381 3.413 20 10 CGCDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000770329806 627613824 /nfs/dbraw/zinc/61/38/24/627613824.db2.gz SNWDPKNHFKBOLP-OAHLLOKOSA-N 1 1 294.414 3.139 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@@H]1O ZINC000770381254 627616391 /nfs/dbraw/zinc/61/63/91/627616391.db2.gz ORGSIGGZKGJXDE-KUHUBIRLSA-N 1 1 297.398 3.262 20 10 CGCDMO CC[C@H](CSC)[N@@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000773254329 627869961 /nfs/dbraw/zinc/86/99/61/627869961.db2.gz GOSPHNIYLVVRMK-OAHLLOKOSA-N 1 1 279.449 3.454 20 10 CGCDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(N(C)CC)cc1 ZINC000773730730 627908889 /nfs/dbraw/zinc/90/88/89/627908889.db2.gz PZJDMDSEUVNKMS-GOEBONIOSA-N 1 1 276.424 3.142 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](CCCO)CC(C)(C)C)cc1 ZINC000773755355 627911503 /nfs/dbraw/zinc/91/15/03/627911503.db2.gz HTXWJHSNQADXSQ-UHFFFAOYSA-N 1 1 292.467 3.373 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCN(C)C1)c1cc(Cl)c(Cl)cc1O ZINC000774160735 627954177 /nfs/dbraw/zinc/95/41/77/627954177.db2.gz APFBDNADLXHAMH-BDAKNGLRSA-N 1 1 289.206 3.054 20 10 CGCDMO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000775643033 628118520 /nfs/dbraw/zinc/11/85/20/628118520.db2.gz RPWOIFPHFJNXDQ-BXUZGUMPSA-N 1 1 283.799 3.353 20 10 CGCDMO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000775643033 628118522 /nfs/dbraw/zinc/11/85/22/628118522.db2.gz RPWOIFPHFJNXDQ-BXUZGUMPSA-N 1 1 283.799 3.353 20 10 CGCDMO CC(C)(C)[N@@H+]1CCCN(Cc2cccc(Cl)c2O)CC1 ZINC000775664826 628121947 /nfs/dbraw/zinc/12/19/47/628121947.db2.gz AZRDLYRDDFQGLG-UHFFFAOYSA-N 1 1 296.842 3.352 20 10 CGCDMO CC(C)(C)[N@H+]1CCCN(Cc2cccc(Cl)c2O)CC1 ZINC000775664826 628121948 /nfs/dbraw/zinc/12/19/48/628121948.db2.gz AZRDLYRDDFQGLG-UHFFFAOYSA-N 1 1 296.842 3.352 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCc3c(F)cccc3C2)c1 ZINC000775689445 628126400 /nfs/dbraw/zinc/12/64/00/628126400.db2.gz JAZMJTWROMDYOD-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)cc1 ZINC000777439491 628270311 /nfs/dbraw/zinc/27/03/11/628270311.db2.gz IJUKYRFYSXYDGN-GOSISDBHSA-N 1 1 288.435 3.144 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000777440153 628271017 /nfs/dbraw/zinc/27/10/17/628271017.db2.gz VPSNNQVXDANZBS-HNNXBMFYSA-N 1 1 295.810 3.437 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C[C@@H]1F ZINC000777970062 628317247 /nfs/dbraw/zinc/31/72/47/628317247.db2.gz VAHMDRQWQSBIFY-ABAIWWIYSA-N 1 1 263.356 3.061 20 10 CGCDMO C[C@@H]1COc2ccccc2C[N@H+]1Cc1ccccc1O ZINC000783596792 628730544 /nfs/dbraw/zinc/73/05/44/628730544.db2.gz IGQHEYYOKKRODX-CYBMUJFWSA-N 1 1 269.344 3.175 20 10 CGCDMO Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)CN(C)C)c(O)c1 ZINC000788498257 629059719 /nfs/dbraw/zinc/05/97/19/629059719.db2.gz MGXBSRMFSKXLCF-CQSZACIVSA-N 1 1 278.440 3.247 20 10 CGCDMO COCCCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788526660 629062434 /nfs/dbraw/zinc/06/24/34/629062434.db2.gz KHRMPLGCWUWNTG-SNVBAGLBSA-N 1 1 291.313 3.488 20 10 CGCDMO CC(C)[C@H](O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788662901 629070604 /nfs/dbraw/zinc/07/06/04/629070604.db2.gz DZWGOENGLBYNND-JOYOIKCWSA-N 1 1 291.313 3.079 20 10 CGCDMO CO[C@@H](C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788754259 629078843 /nfs/dbraw/zinc/07/88/43/629078843.db2.gz AWBXVWYWRXUZFC-IUCAKERBSA-N 1 1 277.286 3.097 20 10 CGCDMO C[C@H]1CCSCC[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000790476329 629212487 /nfs/dbraw/zinc/21/24/87/629212487.db2.gz DQESAEDJIRQGAL-LBPRGKRZSA-N 1 1 277.433 3.208 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1C ZINC000862473456 629383642 /nfs/dbraw/zinc/38/36/42/629383642.db2.gz RHJMQRKJPFWHCO-CABCVRRESA-N 1 1 277.433 3.479 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CC2(C)COC2)cc1F ZINC000862477639 629384317 /nfs/dbraw/zinc/38/43/17/629384317.db2.gz OYRZLBPPAYHOQZ-UHFFFAOYSA-N 1 1 294.414 3.140 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@@H](CCF)C2)cc1C(C)C ZINC000863316206 629531361 /nfs/dbraw/zinc/53/13/61/629531361.db2.gz LFKHNQAFTPVXHT-HNNXBMFYSA-N 1 1 295.398 3.384 20 10 CGCDMO Oc1ccccc1C[N@@H+](Cc1cnc[nH]1)C1CCCCC1 ZINC000796441695 629781315 /nfs/dbraw/zinc/78/13/15/629781315.db2.gz CMBYLOIHLJKHSR-UHFFFAOYSA-N 1 1 285.391 3.450 20 10 CGCDMO Oc1ccccc1C[N@H+](Cc1c[nH]cn1)C1CCCCC1 ZINC000796441695 629781320 /nfs/dbraw/zinc/78/13/20/629781320.db2.gz CMBYLOIHLJKHSR-UHFFFAOYSA-N 1 1 285.391 3.450 20 10 CGCDMO Oc1ccccc1C[N@@H+](Cc1c[nH]cn1)C1CCCCC1 ZINC000796441695 629781328 /nfs/dbraw/zinc/78/13/28/629781328.db2.gz CMBYLOIHLJKHSR-UHFFFAOYSA-N 1 1 285.391 3.450 20 10 CGCDMO CC[C@@H]([NH2+]CCOCC(F)(F)F)c1ccc(F)cc1O ZINC000796716679 629819165 /nfs/dbraw/zinc/81/91/65/629819165.db2.gz MQXDDPMOHOTDEX-LLVKDONJSA-N 1 1 295.276 3.151 20 10 CGCDMO CC[C@H]([NH2+]CC1(OC)CCC1)c1ccc(F)cc1O ZINC000796930786 629859621 /nfs/dbraw/zinc/85/96/21/629859621.db2.gz JBQVLEQUSJYBDT-ZDUSSCGKSA-N 1 1 267.344 3.141 20 10 CGCDMO CC[C@H]([NH2+]CCCOC(F)F)c1ccc(F)cc1O ZINC000796988066 629869189 /nfs/dbraw/zinc/86/91/89/629869189.db2.gz AXPBJRJERCQNIS-NSHDSACASA-N 1 1 277.286 3.201 20 10 CGCDMO CC[C@H]([NH2+]Cc1cnn2ccccc12)c1ccc(F)cc1O ZINC000797054693 629878461 /nfs/dbraw/zinc/87/84/61/629878461.db2.gz YQQBGCPMUUAUCW-HNNXBMFYSA-N 1 1 299.349 3.420 20 10 CGCDMO CCCC[N@@H+](CCCOCC)Cc1ccccc1O ZINC000801595124 630346318 /nfs/dbraw/zinc/34/63/18/630346318.db2.gz IRRMPLOLLCTFKD-UHFFFAOYSA-N 1 1 265.397 3.421 20 10 CGCDMO CCCC[N@@H+](Cc1cc(C)n(C)n1)Cc1ccccc1O ZINC000801596526 630346491 /nfs/dbraw/zinc/34/64/91/630346491.db2.gz DEEIJTCYRMHISB-UHFFFAOYSA-N 1 1 287.407 3.236 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H](C)OC ZINC000801595316 630346737 /nfs/dbraw/zinc/34/67/37/630346737.db2.gz LTQKBIXOGVLCRT-CYBMUJFWSA-N 1 1 251.370 3.029 20 10 CGCDMO CCCC[N@@H+](Cc1ccccc1O)CC1(F)CC1 ZINC000802657424 630403016 /nfs/dbraw/zinc/40/30/16/630403016.db2.gz CXNXPJKEWBYWDZ-UHFFFAOYSA-N 1 1 251.345 3.496 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](F)C2)cc1C(C)C ZINC000840105105 630595301 /nfs/dbraw/zinc/59/53/01/630595301.db2.gz OLKSNBKKGYTPFX-CYBMUJFWSA-N 1 1 251.345 3.368 20 10 CGCDMO C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1c(F)cncc1F ZINC000809717279 630790164 /nfs/dbraw/zinc/79/01/64/630790164.db2.gz ZFVQVNPMNYJXNT-MRVPVSSYSA-N 1 1 282.265 3.055 20 10 CGCDMO CCOc1cccc(C[N@@H+](CC)Cc2ccncc2)c1O ZINC000809726571 630793808 /nfs/dbraw/zinc/79/38/08/630793808.db2.gz LAAIHPOCLLKUQO-UHFFFAOYSA-N 1 1 286.375 3.208 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC[C@H](C3CC3)C2)c1O ZINC000809786890 630808891 /nfs/dbraw/zinc/80/88/91/630808891.db2.gz NVASPRDVEVUXPG-AWEZNQCLSA-N 1 1 275.392 3.413 20 10 CGCDMO CC1(C)C[N@@H+](Cc2c(O)cccc2Cl)[C@H]1[C@H]1CCCO1 ZINC000811511058 631080212 /nfs/dbraw/zinc/08/02/12/631080212.db2.gz SZEXZVHMRFKNJU-CABCVRRESA-N 1 1 295.810 3.435 20 10 CGCDMO CC[N@H+](Cc1cc(Cl)cc(C)c1O)C[C@H](C)OC ZINC000812807954 631316969 /nfs/dbraw/zinc/31/69/69/631316969.db2.gz ZXVVOEDPPXHBCM-NSHDSACASA-N 1 1 271.788 3.211 20 10 CGCDMO C[N@@H+](Cc1cncc(C(F)(F)F)c1)Cc1ccccc1O ZINC000812829460 631321808 /nfs/dbraw/zinc/32/18/08/631321808.db2.gz FDLAZAROHZWWGG-UHFFFAOYSA-N 1 1 296.292 3.438 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc(F)c2N)cc1 ZINC000876511934 634848994 /nfs/dbraw/zinc/84/89/94/634848994.db2.gz XFADPWJLIZDYCT-UHFFFAOYSA-N 1 1 287.382 3.106 20 10 CGCDMO CCc1cc(C[N@H+]2CCO[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000813170605 631376572 /nfs/dbraw/zinc/37/65/72/631376572.db2.gz IURQCJQOOJDSQX-ZDUSSCGKSA-N 1 1 291.435 3.473 20 10 CGCDMO CC[C@@H]1CC[N@@H+]1Cc1cccc(Br)c1O ZINC000814178826 631539366 /nfs/dbraw/zinc/53/93/66/631539366.db2.gz DWMSGCZRKLZDDR-SNVBAGLBSA-N 1 1 270.170 3.139 20 10 CGCDMO CC[C@@H]1CC[N@H+]1Cc1cccc(Br)c1O ZINC000814178826 631539376 /nfs/dbraw/zinc/53/93/76/631539376.db2.gz DWMSGCZRKLZDDR-SNVBAGLBSA-N 1 1 270.170 3.139 20 10 CGCDMO CCCCC[N@@H+](CCO)Cc1ccc(N(C)C)c(C)c1 ZINC000815049406 631707431 /nfs/dbraw/zinc/70/74/31/631707431.db2.gz WZANEOWXFBNNFZ-UHFFFAOYSA-N 1 1 278.440 3.046 20 10 CGCDMO Cc1cc(C[N@H+]2CCc3ccc(O)cc3C2)ccc1N(C)C ZINC000815070222 631711276 /nfs/dbraw/zinc/71/12/76/631711276.db2.gz RAWRKDZQZHAYQV-UHFFFAOYSA-N 1 1 296.414 3.325 20 10 CGCDMO CC(C)C1([NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000815151989 631732001 /nfs/dbraw/zinc/73/20/01/631732001.db2.gz XCVDDHWFJWOFHW-UHFFFAOYSA-N 1 1 257.736 3.463 20 10 CGCDMO [O-]c1cccc(Cl)c1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000815151119 631732026 /nfs/dbraw/zinc/73/20/26/631732026.db2.gz KKOREXLLLVPWHB-UHFFFAOYSA-N 1 1 296.842 3.401 20 10 CGCDMO CCOC[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815618927 631808042 /nfs/dbraw/zinc/80/80/42/631808042.db2.gz YCEUFINGJDHCKE-UWVGGRQHSA-N 1 1 291.313 3.487 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(F)cc1O ZINC000815642374 631810284 /nfs/dbraw/zinc/81/02/84/631810284.db2.gz AEQLMFJWLJYBIM-HZMBPMFUSA-N 1 1 290.338 3.434 20 10 CGCDMO C[N@H+](Cc1ccon1)Cc1ccc2ccccc2c1O ZINC000816514404 632000176 /nfs/dbraw/zinc/00/01/76/632000176.db2.gz WXAKUNNLMLSXIU-UHFFFAOYSA-N 1 1 268.316 3.165 20 10 CGCDMO CO[C@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CC[C@H]1C ZINC000816586421 632017623 /nfs/dbraw/zinc/01/76/23/632017623.db2.gz HMFZYTGAHDSWCQ-DYVFJYSZSA-N 1 1 285.387 3.402 20 10 CGCDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CCCO1 ZINC000816676216 632041519 /nfs/dbraw/zinc/04/15/19/632041519.db2.gz VWUAIGJUPQSACN-KRWDZBQOSA-N 1 1 294.414 3.139 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)C[C@@H]2CCCN2C)cc1C(C)C ZINC000817378669 632134943 /nfs/dbraw/zinc/13/49/43/632134943.db2.gz XUCPKCFANIWJJJ-INIZCTEOSA-N 1 1 290.451 3.350 20 10 CGCDMO Cc1cc(O)c(CN(C)C[C@@H]2CCC[N@@H+]2C)cc1C(C)C ZINC000817378669 632134948 /nfs/dbraw/zinc/13/49/48/632134948.db2.gz XUCPKCFANIWJJJ-INIZCTEOSA-N 1 1 290.451 3.350 20 10 CGCDMO Cc1cc(O)c(CN(C)C[C@@H]2CCC[N@H+]2C)cc1C(C)C ZINC000817378669 632134953 /nfs/dbraw/zinc/13/49/53/632134953.db2.gz XUCPKCFANIWJJJ-INIZCTEOSA-N 1 1 290.451 3.350 20 10 CGCDMO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccs1 ZINC000817938319 632238804 /nfs/dbraw/zinc/23/88/04/632238804.db2.gz IZHYFGBKTFLFFD-SWLSCSKDSA-N 1 1 289.448 3.165 20 10 CGCDMO C[C@@H]1C[C@@H](NCC2([NH3+])CCCCC2)c2c1c(F)ccc2O ZINC000817938372 632239734 /nfs/dbraw/zinc/23/97/34/632239734.db2.gz JOSBNNRYZREIDF-DGCLKSJQSA-N 1 1 292.398 3.331 20 10 CGCDMO C[NH2+]CCCN[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817942039 632241084 /nfs/dbraw/zinc/24/10/84/632241084.db2.gz XCEDDHSENKHNSW-MRXNPFEDSA-N 1 1 289.467 3.327 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCCCN1)c1cc2c(cc1O)CCCC2 ZINC000817949895 632246393 /nfs/dbraw/zinc/24/63/93/632246393.db2.gz OUWNPXKGBLDDKS-BBRMVZONSA-N 1 1 288.435 3.064 20 10 CGCDMO C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000817965604 632260230 /nfs/dbraw/zinc/26/02/30/632260230.db2.gz YDQLFZYUNSCTOG-NSHDSACASA-N 1 1 282.815 3.086 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000817972455 632266115 /nfs/dbraw/zinc/26/61/15/632266115.db2.gz XTIOCMDDYRPBGG-SWHYSGLUSA-N 1 1 282.815 3.084 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000817972453 632266694 /nfs/dbraw/zinc/26/66/94/632266694.db2.gz XTIOCMDDYRPBGG-DDTOSNHZSA-N 1 1 282.815 3.084 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cc(Cl)ccc1[O-] ZINC000817975423 632267570 /nfs/dbraw/zinc/26/75/70/632267570.db2.gz NLRIRGBZRMPEMC-AVGNSLFASA-N 1 1 296.842 3.461 20 10 CGCDMO Cc1cc(N)cc(C[NH2+][C@H](C)c2ccc(F)cc2O)c1 ZINC000817981352 632271194 /nfs/dbraw/zinc/27/11/94/632271194.db2.gz RISXVIBJDNGCEQ-LLVKDONJSA-N 1 1 274.339 3.273 20 10 CGCDMO [NH3+][C@@H]1CCCC[C@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000818431446 632317940 /nfs/dbraw/zinc/31/79/40/632317940.db2.gz MWVNSIWSEHEKNK-QZTJIDSGSA-N 1 1 287.451 3.036 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](C)C[C@@](C)(O)c2ccccc2)c1 ZINC000822517540 632960559 /nfs/dbraw/zinc/96/05/59/632960559.db2.gz ZCYQLAGTCZPIDL-GOSISDBHSA-N 1 1 285.387 3.040 20 10 CGCDMO CC[C@H](C[C@@H](C)O)[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000866633769 633222424 /nfs/dbraw/zinc/22/24/24/633222424.db2.gz LSXMDGQQZXFRKK-MPKXVKKWSA-N 1 1 269.360 3.122 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](F)C2)cc1 ZINC000824571959 633260430 /nfs/dbraw/zinc/26/04/30/633260430.db2.gz TVCLMRVBPHXKBH-AWEZNQCLSA-N 1 1 250.361 3.077 20 10 CGCDMO CC[C@H](C)[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)OC ZINC000824596995 633263242 /nfs/dbraw/zinc/26/32/42/633263242.db2.gz NCTGWRAACBONAG-TVQRCGJNSA-N 1 1 289.778 3.335 20 10 CGCDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(N(CC)CC)cc1 ZINC000824636864 633266592 /nfs/dbraw/zinc/26/65/92/633266592.db2.gz UNWGFVYIQJSVCP-SJLPKXTDSA-N 1 1 290.451 3.126 20 10 CGCDMO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(N(CC)CC)cc1 ZINC000824636863 633266610 /nfs/dbraw/zinc/26/66/10/633266610.db2.gz UNWGFVYIQJSVCP-FUHWJXTLSA-N 1 1 290.451 3.126 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)C[C@@H]1C ZINC000824815362 633295304 /nfs/dbraw/zinc/29/53/04/633295304.db2.gz MPLARILMGAUTQO-SMDDNHRTSA-N 1 1 283.799 3.211 20 10 CGCDMO Oc1cc(Br)ccc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000824894541 633302659 /nfs/dbraw/zinc/30/26/59/633302659.db2.gz HIPXNMBQXIANPW-NSHDSACASA-N 1 1 296.208 3.387 20 10 CGCDMO C[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)c2nccn21 ZINC000825017554 633318820 /nfs/dbraw/zinc/31/88/20/633318820.db2.gz ULSHAYKUZVPOCN-JOYOIKCWSA-N 1 1 277.755 3.038 20 10 CGCDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)CC1 ZINC000825321901 633345082 /nfs/dbraw/zinc/34/50/82/633345082.db2.gz QKXBKAOPRANHAZ-MRXNPFEDSA-N 1 1 276.424 3.001 20 10 CGCDMO COCC1=CC[N@@H+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000825548489 633364175 /nfs/dbraw/zinc/36/41/75/633364175.db2.gz HASJAKDLZQWBFF-UHFFFAOYSA-N 1 1 281.783 3.133 20 10 CGCDMO Cc1noc(C(C)(C)[NH2+]Cc2cc(Cl)c(C)cc2O)n1 ZINC000825833438 633383255 /nfs/dbraw/zinc/38/32/55/633383255.db2.gz CFQBYTILKZIWBV-UHFFFAOYSA-N 1 1 295.770 3.070 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1O ZINC000827506302 633495614 /nfs/dbraw/zinc/49/56/14/633495614.db2.gz GIRKTEMHDUXTBK-GHMZBOCLSA-N 1 1 251.757 3.196 20 10 CGCDMO C[N@@H+](CC1=CCCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000827719835 633512695 /nfs/dbraw/zinc/51/26/95/633512695.db2.gz QNSZLTBJSYVFMQ-UHFFFAOYSA-N 1 1 286.419 3.065 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)C[C@@H]2CC2(C)C)c1O ZINC000827941062 633538285 /nfs/dbraw/zinc/53/82/85/633538285.db2.gz BUVUAGLAKCWSQY-ZDUSSCGKSA-N 1 1 263.381 3.269 20 10 CGCDMO CO[C@@H](C)C[N@@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829767620 633778615 /nfs/dbraw/zinc/77/86/15/633778615.db2.gz AFORMGLPNAXBNX-INIZCTEOSA-N 1 1 290.451 3.452 20 10 CGCDMO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000872131831 634052209 /nfs/dbraw/zinc/05/22/09/634052209.db2.gz AHPXMJQKHBUEAW-PSASIEDQSA-N 1 1 293.317 3.181 20 10 CGCDMO CCC[C@@H](C[NH2+][C@@H](CC)c1ccc(F)cc1O)OC ZINC000834839948 634254200 /nfs/dbraw/zinc/25/42/00/634254200.db2.gz GCVIKEOTEHCEEB-JSGCOSHPSA-N 1 1 269.360 3.387 20 10 CGCDMO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000834890067 634270198 /nfs/dbraw/zinc/27/01/98/634270198.db2.gz BQIWQQMXGPPXAE-MJVIPROJSA-N 1 1 251.345 3.474 20 10 CGCDMO C[C@@H]([NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)C1CC[NH2+]CC1 ZINC000873269491 634312657 /nfs/dbraw/zinc/31/26/57/634312657.db2.gz QFMSDPLIWLAOIY-WDMOLILDSA-N 1 1 292.398 3.057 20 10 CGCDMO CC[N@H+](CCNC/C=C\c1ccc(N(C)C)cc1)C(C)C ZINC000835035251 634327381 /nfs/dbraw/zinc/32/73/81/634327381.db2.gz FCLKWSORHNFRAK-FPLPWBNLSA-N 1 1 289.467 3.086 20 10 CGCDMO CC[N@@H+](CCNC/C=C\c1ccc(N(C)C)cc1)C(C)C ZINC000835035251 634327387 /nfs/dbraw/zinc/32/73/87/634327387.db2.gz FCLKWSORHNFRAK-FPLPWBNLSA-N 1 1 289.467 3.086 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@H](OC(F)F)C2)cc1 ZINC000835050736 634336345 /nfs/dbraw/zinc/33/63/45/634336345.db2.gz WUCXJVYSTKSPKC-BWPKMQGJSA-N 1 1 296.361 3.079 20 10 CGCDMO COc1c(O)c(C[NH2+][C@H](C)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000835065467 634343295 /nfs/dbraw/zinc/34/32/95/634343295.db2.gz OJTXCKYTCVJZNQ-SNVBAGLBSA-N 1 1 296.367 3.223 20 10 CGCDMO CCc1nc(C[N@H+](C)Cc2c(C)cccc2O)cs1 ZINC000876641664 634873213 /nfs/dbraw/zinc/87/32/13/634873213.db2.gz MCJXOWKWTAUPMS-UHFFFAOYSA-N 1 1 276.405 3.352 20 10 CGCDMO CCc1nc(C[N@@H+](C)Cc2c(C)cccc2O)cs1 ZINC000876641664 634873217 /nfs/dbraw/zinc/87/32/17/634873217.db2.gz MCJXOWKWTAUPMS-UHFFFAOYSA-N 1 1 276.405 3.352 20 10 CGCDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(C)cc2O)C[C@H]1C ZINC000876761190 634894124 /nfs/dbraw/zinc/89/41/24/634894124.db2.gz ZSLXKSYYEGXGCP-ZBFHGGJFSA-N 1 1 276.424 3.005 20 10 CGCDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2O)C[C@H]1C ZINC000876761190 634894128 /nfs/dbraw/zinc/89/41/28/634894128.db2.gz ZSLXKSYYEGXGCP-ZBFHGGJFSA-N 1 1 276.424 3.005 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@]3(CCCOC3)C2)c(O)c1 ZINC000876763303 634895467 /nfs/dbraw/zinc/89/54/67/634895467.db2.gz JXTFCCJUDZAWJB-KRWDZBQOSA-N 1 1 275.392 3.093 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCSCC[C@@H]2C)c(O)c1 ZINC000877473562 635051368 /nfs/dbraw/zinc/05/13/68/635051368.db2.gz JTXFKEBNTJAGIB-LBPRGKRZSA-N 1 1 251.395 3.028 20 10 CGCDMO CC[C@H]([NH2+][C@@H](CC)[C@@H](O)C(C)C)c1ccc(F)cc1O ZINC000840881661 635072346 /nfs/dbraw/zinc/07/23/46/635072346.db2.gz IRNWRTOKDMTRIU-DZKIICNBSA-N 1 1 283.387 3.368 20 10 CGCDMO Cc1cc(O)c(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000840917891 635082948 /nfs/dbraw/zinc/08/29/48/635082948.db2.gz UYYBOCHBBLOOFP-QWHCGFSZSA-N 1 1 296.842 3.269 20 10 CGCDMO CSC[C@H]1CCC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000877547748 635083436 /nfs/dbraw/zinc/08/34/36/635083436.db2.gz IYLHBJIGXCKZJV-ZDUSSCGKSA-N 1 1 265.422 3.276 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC(C)(C)C[C@H]2C)c1O ZINC000840970211 635097433 /nfs/dbraw/zinc/09/74/33/635097433.db2.gz RLDBZTNKHCUEDE-GFCCVEGCSA-N 1 1 263.381 3.411 20 10 CGCDMO CCC1([NH+](C)C)CCN(Cc2c(C)cccc2O)CC1 ZINC000877690129 635147803 /nfs/dbraw/zinc/14/78/03/635147803.db2.gz NSPMVJYXJXDUMJ-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO Cc1ccc(F)cc1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877702911 635154333 /nfs/dbraw/zinc/15/43/33/635154333.db2.gz JMLUYFRBGCJNDC-UHFFFAOYSA-N 1 1 257.308 3.356 20 10 CGCDMO CSC(C)(C)CC[N@H+]1Cc2cccc(O)c2C1 ZINC000877703185 635155621 /nfs/dbraw/zinc/15/56/21/635155621.db2.gz VGZUKXLFCGYPCU-UHFFFAOYSA-N 1 1 251.395 3.240 20 10 CGCDMO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000877797000 635207668 /nfs/dbraw/zinc/20/76/68/635207668.db2.gz ONSUJMBWSSRLGZ-LLVKDONJSA-N 1 1 283.799 3.029 20 10 CGCDMO CCC(CC)(CO)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841751476 635225441 /nfs/dbraw/zinc/22/54/41/635225441.db2.gz NFLROJDDDDLEGW-LLVKDONJSA-N 1 1 285.815 3.495 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1ccc(Cl)cc1O ZINC000841753282 635226673 /nfs/dbraw/zinc/22/66/73/635226673.db2.gz GBPZQILZIFDBIR-SRVKXCTJSA-N 1 1 283.799 3.369 20 10 CGCDMO C[C@H](CO)CCC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841753258 635227372 /nfs/dbraw/zinc/22/73/72/635227372.db2.gz YGFVNVGBMHFMAU-QWRGUYRKSA-N 1 1 271.788 3.105 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1ccc(Cl)cc1O ZINC000841761231 635233118 /nfs/dbraw/zinc/23/31/18/635233118.db2.gz XIRPUGZUTJGZJE-JRPNMDOOSA-N 1 1 294.826 3.179 20 10 CGCDMO Cc1cc(C[N@@H+](Cc2ccccc2O)C2CCCC2)n(C)n1 ZINC000841844295 635242181 /nfs/dbraw/zinc/24/21/81/635242181.db2.gz WOOSFJGSJCPFSS-UHFFFAOYSA-N 1 1 299.418 3.379 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCSC[C@@H]2C2CCC2)c1 ZINC000841893035 635249017 /nfs/dbraw/zinc/24/90/17/635249017.db2.gz CEJVVMWRPLCWDW-OAHLLOKOSA-N 1 1 293.432 3.118 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)c1 ZINC000842637785 635425021 /nfs/dbraw/zinc/42/50/21/635425021.db2.gz RJFYUXOPEBJPNP-HNNXBMFYSA-N 1 1 289.419 3.400 20 10 CGCDMO Cc1cc(C)c(C[N@@H+](C)Cc2ccccc2O)c(C)n1 ZINC000878242308 635429071 /nfs/dbraw/zinc/42/90/71/635429071.db2.gz OIDHQVKWBURVSK-UHFFFAOYSA-N 1 1 270.376 3.344 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)CCc2cccs2)cc1 ZINC000104945258 635504615 /nfs/dbraw/zinc/50/46/15/635504615.db2.gz POKBOINMBXKGCX-UHFFFAOYSA-N 1 1 274.433 3.489 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000878876873 635648057 /nfs/dbraw/zinc/64/80/57/635648057.db2.gz WLIGYBFHPNWXHY-QGZVFWFLSA-N 1 1 284.407 3.203 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000843419537 635665270 /nfs/dbraw/zinc/66/52/70/635665270.db2.gz XDVCEVAMNIBHPJ-SFHVURJKSA-N 1 1 295.430 3.446 20 10 CGCDMO CN(C)c1ccc(C[NH+]2CC(C)(CC(F)F)C2)cc1F ZINC000843425248 635670248 /nfs/dbraw/zinc/67/02/48/635670248.db2.gz YZDIMBFWPKXIRO-UHFFFAOYSA-N 1 1 286.341 3.369 20 10 CGCDMO C[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CC2(CCC2)O1 ZINC000843434581 635674896 /nfs/dbraw/zinc/67/48/96/635674896.db2.gz BHOBWDKBAMJYQQ-ZDUSSCGKSA-N 1 1 292.398 3.035 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC2(CCC2)O1 ZINC000843434581 635674900 /nfs/dbraw/zinc/67/49/00/635674900.db2.gz BHOBWDKBAMJYQQ-ZDUSSCGKSA-N 1 1 292.398 3.035 20 10 CGCDMO C[C@H]([NH2+]Cc1csc(Cl)n1)c1ccccc1O ZINC000879650508 635827031 /nfs/dbraw/zinc/82/70/31/635827031.db2.gz FJUBKXKUYOGXHH-QMMMGPOBSA-N 1 1 268.769 3.353 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846116849 636146749 /nfs/dbraw/zinc/14/67/49/636146749.db2.gz LNHUUWVAEABUQU-LBPRGKRZSA-N 1 1 291.700 3.416 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846116849 636146751 /nfs/dbraw/zinc/14/67/51/636146751.db2.gz LNHUUWVAEABUQU-LBPRGKRZSA-N 1 1 291.700 3.416 20 10 CGCDMO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)C(=O)OC(C)(C)C ZINC000848562347 636607555 /nfs/dbraw/zinc/60/75/55/636607555.db2.gz IBHVEJPSBPPSIW-QWRGUYRKSA-N 1 1 297.370 3.160 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@H](N3CCCCC3)C2)c1O ZINC000848886036 636675067 /nfs/dbraw/zinc/67/50/67/636675067.db2.gz QRUYYOPBEAPDNY-KRWDZBQOSA-N 1 1 288.435 3.015 20 10 CGCDMO CCc1cccc(CN2CC[C@H]([NH+]3CCCCC3)C2)c1O ZINC000848886036 636675070 /nfs/dbraw/zinc/67/50/70/636675070.db2.gz QRUYYOPBEAPDNY-KRWDZBQOSA-N 1 1 288.435 3.015 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@@H](N3CCCCC3)C2)c1O ZINC000848886038 636675245 /nfs/dbraw/zinc/67/52/45/636675245.db2.gz QRUYYOPBEAPDNY-QGZVFWFLSA-N 1 1 288.435 3.015 20 10 CGCDMO CCc1cccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1O ZINC000848886038 636675251 /nfs/dbraw/zinc/67/52/51/636675251.db2.gz QRUYYOPBEAPDNY-QGZVFWFLSA-N 1 1 288.435 3.015 20 10 CGCDMO CCc1cccc(C[N@@H+](C)Cc2cnccc2C)c1O ZINC000848908600 636685371 /nfs/dbraw/zinc/68/53/71/636685371.db2.gz YNCOHZVOYVJDDD-UHFFFAOYSA-N 1 1 270.376 3.290 20 10 CGCDMO CCC[N@@H+](Cc1cc(OC)c(OC)cc1O)C(C)C ZINC000848924212 636696291 /nfs/dbraw/zinc/69/62/91/636696291.db2.gz XPDGMMDUYXVTOR-UHFFFAOYSA-N 1 1 267.369 3.030 20 10 CGCDMO COC[C@H](CC(C)(C)C)[NH2+]Cc1cccc(F)c1O ZINC000848926499 636699234 /nfs/dbraw/zinc/69/92/34/636699234.db2.gz RBTOZRWCLGFQFP-LBPRGKRZSA-N 1 1 269.360 3.072 20 10 CGCDMO COC1CC(CC[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000850341569 637020332 /nfs/dbraw/zinc/02/03/32/637020332.db2.gz LBXORFCWDSPZGP-UHFFFAOYSA-N 1 1 287.762 3.089 20 10 CGCDMO CC1(C)OCC[C@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000850409331 637051577 /nfs/dbraw/zinc/05/15/77/637051577.db2.gz RDBVQSNFXJZOPW-VIFPVBQESA-N 1 1 287.762 3.089 20 10 CGCDMO Cc1ccncc1CC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000850506164 637094412 /nfs/dbraw/zinc/09/44/12/637094412.db2.gz HTANVNAJZVHYEO-GFCCVEGCSA-N 1 1 274.339 3.128 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1cc(F)cc(F)c1O ZINC000850571073 637128735 /nfs/dbraw/zinc/12/87/35/637128735.db2.gz MBSFTEYGAIQDCW-VHSXEESVSA-N 1 1 285.334 3.136 20 10 CGCDMO CC(C)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000109761391 637265778 /nfs/dbraw/zinc/26/57/78/637265778.db2.gz RQSVSRPQEBYRLD-OAHLLOKOSA-N 1 1 263.381 3.029 20 10 CGCDMO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1c(O)cccc1F ZINC000886498908 637543038 /nfs/dbraw/zinc/54/30/38/637543038.db2.gz UPVFFRUWXFGNJU-BONVTDFDSA-N 1 1 293.313 3.055 20 10 CGCDMO C[C@H]([NH2+]CCc1ccc(O)cc1)c1c(O)cccc1F ZINC000886513098 637547936 /nfs/dbraw/zinc/54/79/36/637547936.db2.gz TXAKYRZQTMWUJJ-NSHDSACASA-N 1 1 275.323 3.130 20 10 CGCDMO CSCC[C@H](C)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886530249 637557113 /nfs/dbraw/zinc/55/71/13/637557113.db2.gz HASVMIZVKMUCCH-UWVGGRQHSA-N 1 1 257.374 3.324 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)C1CCOCC1 ZINC000886535248 637559913 /nfs/dbraw/zinc/55/99/13/637559913.db2.gz XBQKNKMAWSUTAY-SMDDNHRTSA-N 1 1 281.371 3.387 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1c(O)cccc1F ZINC000886536733 637561491 /nfs/dbraw/zinc/56/14/91/637561491.db2.gz NVDZGEVPDUOVSJ-VXGBXAGGSA-N 1 1 274.339 3.381 20 10 CGCDMO C[C@H]([NH2+][C@@H](CO)C1CCCCC1)c1c(O)cccc1F ZINC000886550062 637575896 /nfs/dbraw/zinc/57/58/96/637575896.db2.gz RUZFGMSOZXSZNC-FZMZJTMJSA-N 1 1 281.371 3.123 20 10 CGCDMO Cc1cncc(C[NH2+][C@H](C)c2c(O)cccc2F)c1 ZINC000886558504 637581796 /nfs/dbraw/zinc/58/17/96/637581796.db2.gz LXYSMSRJCOWDNO-LLVKDONJSA-N 1 1 260.312 3.086 20 10 CGCDMO CC[C@@H](CSC)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886561915 637583466 /nfs/dbraw/zinc/58/34/66/637583466.db2.gz MLVSNRKTZPFLPQ-UWVGGRQHSA-N 1 1 257.374 3.324 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCCSC1)c1c(O)cccc1F ZINC000886611140 637604963 /nfs/dbraw/zinc/60/49/63/637604963.db2.gz UMOOTUOMJVBGNW-MNOVXSKESA-N 1 1 269.385 3.325 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCO[C@](C)(C3CC3)C2)cc1 ZINC000852322431 637634647 /nfs/dbraw/zinc/63/46/47/637634647.db2.gz JEVNDBIYKGXALQ-SFHVURJKSA-N 1 1 288.435 3.144 20 10 CGCDMO Cc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)CO)ccc1N(C)C ZINC000852428749 637652395 /nfs/dbraw/zinc/65/23/95/637652395.db2.gz WCUBNTJTTRLQOS-QAPCUYQASA-N 1 1 290.451 3.044 20 10 CGCDMO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ncc[nH]2)cc1 ZINC000138919481 637683837 /nfs/dbraw/zinc/68/38/37/637683837.db2.gz GQRDNQBNPTTXOP-ZDUSSCGKSA-N 1 1 272.396 3.107 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)cc1[O-] ZINC000858491662 638742773 /nfs/dbraw/zinc/74/27/73/638742773.db2.gz MTIKUDJLTKDUFD-STQMWFEESA-N 1 1 296.842 3.428 20 10 CGCDMO COC[C@H](C[NH2+][C@H](C)c1ccc(F)cc1O)C(C)C ZINC000927096031 638841217 /nfs/dbraw/zinc/84/12/17/638841217.db2.gz IUYFBHVJMNTOIG-NEPJUHHUSA-N 1 1 269.360 3.101 20 10 CGCDMO C[C@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1ccc(F)cc1O ZINC000927165201 638849563 /nfs/dbraw/zinc/84/95/63/638849563.db2.gz ZYYYLOBNJNPRCW-XHDPSFHLSA-N 1 1 279.355 3.284 20 10 CGCDMO CO[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000858584522 638998222 /nfs/dbraw/zinc/99/82/22/638998222.db2.gz SEDALFVYVAJPPI-GUBZILKMSA-N 1 1 289.297 3.239 20 10 CGCDMO CC(C)c1nsc(C[NH2+][C@@H](C)c2ccccc2O)n1 ZINC000931557957 639170606 /nfs/dbraw/zinc/17/06/06/639170606.db2.gz MPZWLNBCXJBZBZ-JTQLQIEISA-N 1 1 277.393 3.218 20 10 CGCDMO Cc1nc(C[NH2+]Cc2cc(Cl)ccc2O)cs1 ZINC000041010365 639898414 /nfs/dbraw/zinc/89/84/14/639898414.db2.gz ZSMSQJKAQFZVSW-UHFFFAOYSA-N 1 1 268.769 3.100 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2CC(C)C)cc1OC ZINC000160058200 640088533 /nfs/dbraw/zinc/08/85/33/640088533.db2.gz BZLCWYDBCNJMTO-AWEZNQCLSA-N 1 1 293.407 3.420 20 10 CGCDMO Oc1ccccc1C[N@@H+](Cc1cocn1)C1CCCC1 ZINC000191942241 640340438 /nfs/dbraw/zinc/34/04/38/640340438.db2.gz NZJMPPXMXZNVOS-UHFFFAOYSA-N 1 1 272.348 3.325 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000246091920 640656999 /nfs/dbraw/zinc/65/69/99/640656999.db2.gz CLMPPNWQURMGDB-YOEHRIQHSA-N 1 1 299.418 3.289 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@H](C)C1 ZINC000092762395 640744109 /nfs/dbraw/zinc/74/41/09/640744109.db2.gz MXMMBFKBLDODAJ-HZPDHXFCSA-N 1 1 288.435 3.144 20 10 CGCDMO CCCC[N@@H+](CCOC)Cc1ccc(N(C)C)cc1 ZINC000093322961 640768218 /nfs/dbraw/zinc/76/82/18/640768218.db2.gz IPMPURLLTMANEK-UHFFFAOYSA-N 1 1 264.413 3.001 20 10 CGCDMO C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1ccc(N(C)C)cc1 ZINC000093513457 640774116 /nfs/dbraw/zinc/77/41/16/640774116.db2.gz DTUSHTKYDGZMDX-NVXWUHKLSA-N 1 1 289.467 3.153 20 10 CGCDMO CCCCC[C@@H](O)C[N@@H+](CC)Cc1ccccc1O ZINC001253538607 806241630 /nfs/dbraw/zinc/24/16/30/806241630.db2.gz QXBNDJAVNGDDTJ-OAHLLOKOSA-N 1 1 265.397 3.155 20 10 CGCDMO COc1cc(C[N@@H+](C)[C@H]2CC[C@@H](SC)C2)c(O)cc1C ZINC001253980998 806325429 /nfs/dbraw/zinc/32/54/29/806325429.db2.gz KOMUHQGLYCEWLH-UONOGXRCSA-N 1 1 295.448 3.425 20 10 CGCDMO COc1cc(C[N@@H+](C)[C@@H]2CC[C@H](SC)C2)c(O)cc1C ZINC001253980997 806325296 /nfs/dbraw/zinc/32/52/96/806325296.db2.gz KOMUHQGLYCEWLH-KGLIPLIRSA-N 1 1 295.448 3.425 20 10 CGCDMO Cc1c([C@@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2O)cnn1C ZINC001254721674 806487108 /nfs/dbraw/zinc/48/71/08/806487108.db2.gz UGUGLBJWKCMLSS-RKDXNWHRSA-N 1 1 295.333 3.124 20 10 CGCDMO Oc1cc2c(cc1O)C[N@H+](C1Cc3ccccc3C1)CCC2 ZINC001255025494 806527903 /nfs/dbraw/zinc/52/79/03/806527903.db2.gz DMKQGSYWJWQGIJ-UHFFFAOYSA-N 1 1 295.382 3.013 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)C2CCCCC2)c1O ZINC000037322733 798866603 /nfs/dbraw/zinc/86/66/03/798866603.db2.gz ZTUIYKJHRGVPQG-UHFFFAOYSA-N 1 1 279.355 3.498 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)C2CCCCC2)c1O ZINC000037322733 798866604 /nfs/dbraw/zinc/86/66/04/798866604.db2.gz ZTUIYKJHRGVPQG-UHFFFAOYSA-N 1 1 279.355 3.498 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H]2C)c1O ZINC000037322558 798866707 /nfs/dbraw/zinc/86/67/07/798866707.db2.gz RIWLYPNQWWCUBX-JTQLQIEISA-N 1 1 265.328 3.108 20 10 CGCDMO C[C@@H](CC(F)(F)F)[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001255663085 806699052 /nfs/dbraw/zinc/69/90/52/806699052.db2.gz XVXFQKLPKCEDQB-VIFPVBQESA-N 1 1 289.297 3.187 20 10 CGCDMO COc1cccc(C[N@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)c1O ZINC000168237006 799085508 /nfs/dbraw/zinc/08/55/08/799085508.db2.gz CZVWNIIBPMGVNP-AGIUHOORSA-N 1 1 263.381 3.267 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000310725014 799222617 /nfs/dbraw/zinc/22/26/17/799222617.db2.gz SXRBZSAPWFQQEF-MRVPVSSYSA-N 1 1 279.689 3.430 20 10 CGCDMO C[N@@H+](Cc1cc(Br)ccc1O)C(C)(C)C ZINC000381906489 799389784 /nfs/dbraw/zinc/38/97/84/799389784.db2.gz FCRQCEDOWOEEOH-UHFFFAOYSA-N 1 1 272.186 3.385 20 10 CGCDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000384314623 799415288 /nfs/dbraw/zinc/41/52/88/799415288.db2.gz RVNPQZGFRNDZOB-ZUZCIYMTSA-N 1 1 279.355 3.354 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000385550188 799427327 /nfs/dbraw/zinc/42/73/27/799427327.db2.gz PRQWYQYICDZBDR-NSHDSACASA-N 1 1 259.271 3.085 20 10 CGCDMO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCC2(F)F)c1 ZINC000397990412 799524465 /nfs/dbraw/zinc/52/44/65/799524465.db2.gz IGWQQZJSSWBCSK-NOZJJQNGSA-N 1 1 271.307 3.239 20 10 CGCDMO CCOc1cccc(C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c1O ZINC000399625465 799539830 /nfs/dbraw/zinc/53/98/30/799539830.db2.gz SOEAILJQPCQSSJ-XQQFMLRXSA-N 1 1 263.381 3.267 20 10 CGCDMO CC[N@@H+](Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCCOC1 ZINC000402731569 799564252 /nfs/dbraw/zinc/56/42/52/799564252.db2.gz KNWDQQFLBJVDBR-CYBMUJFWSA-N 1 1 299.798 3.055 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](C(C)C)C2)c1 ZINC000694455041 799822075 /nfs/dbraw/zinc/82/20/75/799822075.db2.gz MVBFIRMMIGJMNV-ZDUSSCGKSA-N 1 1 263.381 3.269 20 10 CGCDMO CC(C)O[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000701717408 799892650 /nfs/dbraw/zinc/89/26/50/799892650.db2.gz AGFDNTLGKGUUHI-CYBMUJFWSA-N 1 1 269.772 3.045 20 10 CGCDMO C[C@H]([NH2+]CCC1(F)CCC1)c1ccc(F)cc1O ZINC000702441426 799909974 /nfs/dbraw/zinc/90/99/74/799909974.db2.gz WUUIAEPJGKMFEN-JTQLQIEISA-N 1 1 255.308 3.464 20 10 CGCDMO CC[C@]1(C)COCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000707688667 799978594 /nfs/dbraw/zinc/97/85/94/799978594.db2.gz FVHTWNUWWINEAK-OAHLLOKOSA-N 1 1 299.798 3.055 20 10 CGCDMO CC[C@]1(C)COCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000707688667 799978596 /nfs/dbraw/zinc/97/85/96/799978596.db2.gz FVHTWNUWWINEAK-OAHLLOKOSA-N 1 1 299.798 3.055 20 10 CGCDMO [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000708440932 799988312 /nfs/dbraw/zinc/98/83/12/799988312.db2.gz FXVWZLPEISJKOP-JTQLQIEISA-N 1 1 273.298 3.242 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000708440932 799988316 /nfs/dbraw/zinc/98/83/16/799988316.db2.gz FXVWZLPEISJKOP-JTQLQIEISA-N 1 1 273.298 3.242 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000708440932 799988323 /nfs/dbraw/zinc/98/83/23/799988323.db2.gz FXVWZLPEISJKOP-JTQLQIEISA-N 1 1 273.298 3.242 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]Cc1ccsc1 ZINC000708487419 799990952 /nfs/dbraw/zinc/99/09/52/799990952.db2.gz WXNJUZDTRYCWOG-UHFFFAOYSA-N 1 1 255.289 3.022 20 10 CGCDMO Oc1ccc2ccccc2c1C[NH+]1C[C@@H](F)[C@H](F)C1 ZINC000714559725 800125649 /nfs/dbraw/zinc/12/56/49/800125649.db2.gz YVIFFXROAAJZNW-ZIAGYGMSSA-N 1 1 263.287 3.037 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@@H](C3CCC3)C2)cc1C ZINC000840175663 800497358 /nfs/dbraw/zinc/49/73/58/800497358.db2.gz LZFKSWPICWBPLZ-QGZVFWFLSA-N 1 1 275.392 3.010 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1c(O)cccc1F ZINC000886643449 800545571 /nfs/dbraw/zinc/54/55/71/800545571.db2.gz VSRIQHVPUFCLTK-TZMCWYRMSA-N 1 1 292.398 3.199 20 10 CGCDMO CS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2O)C1 ZINC001119237385 802636876 /nfs/dbraw/zinc/63/68/76/802636876.db2.gz UVTRQKRBCDGHSI-KBPBESRZSA-N 1 1 265.422 3.417 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N)cc2)C[C@@H](c2ccccc2)O1 ZINC001120370841 802742686 /nfs/dbraw/zinc/74/26/86/802742686.db2.gz HFCZNANCPHISME-KDOFPFPSSA-N 1 1 282.387 3.231 20 10 CGCDMO CC[N@@H+](Cc1ccnc(C)c1)Cc1ccccc1O ZINC001137417078 803731875 /nfs/dbraw/zinc/73/18/75/803731875.db2.gz XUQSNZUVFSTLOT-UHFFFAOYSA-N 1 1 256.349 3.118 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccc(F)nc1 ZINC001137741198 803766098 /nfs/dbraw/zinc/76/60/98/803766098.db2.gz QGWBDDGRZDVIBO-UHFFFAOYSA-N 1 1 299.393 3.453 20 10 CGCDMO CC1(C)C[N@H+](Cc2c(O)cccc2F)CCC1(F)F ZINC001137832832 803777475 /nfs/dbraw/zinc/77/74/75/803777475.db2.gz JOAHKDROEFDUEJ-UHFFFAOYSA-N 1 1 273.298 3.399 20 10 CGCDMO CC1(C)C[N@@H+](Cc2c(O)cccc2F)CCC1(F)F ZINC001137832832 803777479 /nfs/dbraw/zinc/77/74/79/803777479.db2.gz JOAHKDROEFDUEJ-UHFFFAOYSA-N 1 1 273.298 3.399 20 10 CGCDMO COc1cccc(CC[N@@H+](C)Cc2c([O-])cccc2F)c1 ZINC001137839148 803781250 /nfs/dbraw/zinc/78/12/50/803781250.db2.gz TUCZLBBJMAUGQJ-UHFFFAOYSA-N 1 1 289.350 3.214 20 10 CGCDMO COc1cccc(CC[N@H+](C)Cc2c(O)cccc2F)c1 ZINC001137839148 803781258 /nfs/dbraw/zinc/78/12/58/803781258.db2.gz TUCZLBBJMAUGQJ-UHFFFAOYSA-N 1 1 289.350 3.214 20 10 CGCDMO COc1cccc(CC[N@@H+](C)Cc2c(O)cccc2F)c1 ZINC001137839148 803781265 /nfs/dbraw/zinc/78/12/65/803781265.db2.gz TUCZLBBJMAUGQJ-UHFFFAOYSA-N 1 1 289.350 3.214 20 10 CGCDMO Cc1cc(C[N@@H+]2CCO[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC001137856150 803786364 /nfs/dbraw/zinc/78/63/64/803786364.db2.gz RWVUGIQPUYVXNX-HNNXBMFYSA-N 1 1 284.403 3.315 20 10 CGCDMO Cc1cc(C[N@H+]2CCO[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC001137856150 803786367 /nfs/dbraw/zinc/78/63/67/803786367.db2.gz RWVUGIQPUYVXNX-HNNXBMFYSA-N 1 1 284.403 3.315 20 10 CGCDMO [O-]c1c(F)cccc1C[N@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001138123801 803862684 /nfs/dbraw/zinc/86/26/84/803862684.db2.gz MBZAFEHRLWKENK-GFCCVEGCSA-N 1 1 295.251 3.255 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001138123801 803862692 /nfs/dbraw/zinc/86/26/92/803862692.db2.gz MBZAFEHRLWKENK-GFCCVEGCSA-N 1 1 295.251 3.255 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001138123801 803862696 /nfs/dbraw/zinc/86/26/96/803862696.db2.gz MBZAFEHRLWKENK-GFCCVEGCSA-N 1 1 295.251 3.255 20 10 CGCDMO F[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]2C[C@@H]21 ZINC001138215593 803875135 /nfs/dbraw/zinc/87/51/35/803875135.db2.gz KOUWWOKVBLKZEN-RYQLBKOJSA-N 1 1 288.410 3.467 20 10 CGCDMO Cc1c(C[N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c2ccccc2n1C ZINC001138260624 803884106 /nfs/dbraw/zinc/88/41/06/803884106.db2.gz NCJHGNQWZFLGSW-PBHICJAKSA-N 1 1 296.414 3.288 20 10 CGCDMO Cc1c(C[N@H+]2CCC[C@H]3C[C@H]32)c2ccccc2n1C ZINC001138260145 803885704 /nfs/dbraw/zinc/88/57/04/803885704.db2.gz WMODVHBVYRILLK-SUMWQHHRSA-N 1 1 254.377 3.471 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)ccc1N(C)C ZINC001139671152 804247914 /nfs/dbraw/zinc/24/79/14/804247914.db2.gz SQGNYUVBBQQDOL-QILLFSRXSA-N 1 1 288.435 3.060 20 10 CGCDMO C[N@@H+](Cc1cc(C(F)(F)F)ccn1)Cc1ccccc1O ZINC001140108705 804380457 /nfs/dbraw/zinc/38/04/57/804380457.db2.gz KTCSANFRXDQCRD-UHFFFAOYSA-N 1 1 296.292 3.438 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001140341715 804419796 /nfs/dbraw/zinc/41/97/96/804419796.db2.gz DLJHYGYJJAEKBV-ZDUSSCGKSA-N 1 1 295.810 3.294 20 10 CGCDMO CC(C)[N@H+](CCCCCO)Cc1ccc(Cl)cc1O ZINC001140464280 804442305 /nfs/dbraw/zinc/44/23/05/804442305.db2.gz JLIHACJEIZYPHM-UHFFFAOYSA-N 1 1 285.815 3.419 20 10 CGCDMO CC(C)[N@@H+](CCCCCO)Cc1ccc(Cl)cc1O ZINC001140464280 804442309 /nfs/dbraw/zinc/44/23/09/804442309.db2.gz JLIHACJEIZYPHM-UHFFFAOYSA-N 1 1 285.815 3.419 20 10 CGCDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001140466265 804444330 /nfs/dbraw/zinc/44/43/30/804444330.db2.gz DLMXASVCYVCOSD-AWEZNQCLSA-N 1 1 283.799 3.435 20 10 CGCDMO COC(=O)c1cccc(C[N@@H+](C)Cc2cc(C)ccc2O)c1 ZINC001140623940 804477820 /nfs/dbraw/zinc/47/78/20/804477820.db2.gz XVUATRQTDMNTPV-UHFFFAOYSA-N 1 1 299.370 3.119 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)c1 ZINC001140624129 804477908 /nfs/dbraw/zinc/47/79/08/804477908.db2.gz HJTYXBNMHVLULX-MRXNPFEDSA-N 1 1 283.371 3.136 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C2CCC2)C2CCOCC2)c1 ZINC001140624431 804477923 /nfs/dbraw/zinc/47/79/23/804477923.db2.gz WGKMIHWWDIXVSJ-UHFFFAOYSA-N 1 1 275.392 3.234 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CCCC[C@](C)(F)C2)c1O ZINC001140744342 804502578 /nfs/dbraw/zinc/50/25/78/804502578.db2.gz ULNHSPHAEYYOFY-HNNXBMFYSA-N 1 1 267.344 3.120 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CCCC(F)(F)CC2)c1O ZINC001140742738 804503575 /nfs/dbraw/zinc/50/35/75/804503575.db2.gz XIXBFQRKYFVAQV-UHFFFAOYSA-N 1 1 271.307 3.027 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@@](C)(F)CC2)c(O)c1 ZINC001140948158 804556507 /nfs/dbraw/zinc/55/65/07/804556507.db2.gz VWUZMYUMZRHZLX-OAHLLOKOSA-N 1 1 251.345 3.415 20 10 CGCDMO CCC(CC)[N@@H+](C)Cc1ccc2c(c1)OCCN2C ZINC001141143694 804596317 /nfs/dbraw/zinc/59/63/17/804596317.db2.gz GBLAJBJZBKLQED-UHFFFAOYSA-N 1 1 262.397 3.136 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2ccc3c(c2)OCCN3C)[C@@H](C)C1 ZINC001141143543 804596629 /nfs/dbraw/zinc/59/66/29/804596629.db2.gz DAGVYEHAACNLDC-KBPBESRZSA-N 1 1 274.408 3.136 20 10 CGCDMO CN1CCOc2cc(C[N@H+]3CCCC(F)(F)CC3)ccc21 ZINC001141139974 804596660 /nfs/dbraw/zinc/59/66/60/804596660.db2.gz GIPMSJLDXQEQCH-UHFFFAOYSA-N 1 1 296.361 3.136 20 10 CGCDMO COc1cccc([C@H]2CCC[N@H+]2Cc2cc(O)ccc2O)c1 ZINC001141161241 804601196 /nfs/dbraw/zinc/60/11/96/804601196.db2.gz PVEGFXDICOKRBD-QGZVFWFLSA-N 1 1 299.370 3.444 20 10 CGCDMO CC[N@@H+](Cc1ccc(C)cc1)Cc1cc(O)ccc1O ZINC001141162480 804601392 /nfs/dbraw/zinc/60/13/92/804601392.db2.gz TZROTCGHWAMULL-UHFFFAOYSA-N 1 1 271.360 3.428 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH+]1CCC(OC2CCC2)CC1 ZINC001142509046 804727718 /nfs/dbraw/zinc/72/77/18/804727718.db2.gz VKERZRXUFQDPIE-UHFFFAOYSA-N 1 1 297.345 3.204 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH+]1CCC2(CCC2)CC1 ZINC001142509080 804728992 /nfs/dbraw/zinc/72/89/92/804728992.db2.gz WKRDTZHJGBCOEZ-UHFFFAOYSA-N 1 1 267.319 3.437 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)C[C@H](C)N1C ZINC001143112282 804803430 /nfs/dbraw/zinc/80/34/30/804803430.db2.gz OBMQXPYXOTZLLX-OKILXGFUSA-N 1 1 290.451 3.214 20 10 CGCDMO 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KVSRZAXSWWYHQU-UHFFFAOYSA-N 1 1 299.370 3.054 20 10 CGCDMO C[N@H+](CCC[NH3+])Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001235443387 819100370 /nfs/dbraw/zinc/10/03/70/819100370.db2.gz NCAWDSOOMIITMH-UHFFFAOYSA-N 1 1 284.831 3.124 20 10 CGCDMO C[N@@H+](CCC[NH3+])Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001235443387 819100373 /nfs/dbraw/zinc/10/03/73/819100373.db2.gz NCAWDSOOMIITMH-UHFFFAOYSA-N 1 1 284.831 3.124 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CC[C@]3(CCOC3)C2)c(O)c1 ZINC001235682245 819139916 /nfs/dbraw/zinc/13/99/16/819139916.db2.gz PVBBUORKUPPKDV-SFHVURJKSA-N 1 1 289.419 3.302 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC[C@H]2CN)cc1 ZINC001235724865 819153823 /nfs/dbraw/zinc/15/38/23/819153823.db2.gz KEFVEAHWTIXIGN-SFHVURJKSA-N 1 1 283.419 3.017 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@H]2CN)cc1 ZINC001235724865 819153824 /nfs/dbraw/zinc/15/38/24/819153824.db2.gz KEFVEAHWTIXIGN-SFHVURJKSA-N 1 1 283.419 3.017 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCN[C@@H](c3ccccc3)C2)c(O)c1 ZINC001235857484 819187976 /nfs/dbraw/zinc/18/79/76/819187976.db2.gz URGQSZCBRIGUIJ-GOSISDBHSA-N 1 1 296.414 3.156 20 10 CGCDMO CC(C)C[C@H]1C[N@H+](Cc2cc3ccccc3cc2O)CCN1 ZINC001235881970 819195094 /nfs/dbraw/zinc/19/50/94/819195094.db2.gz MOYMPQUHIQGIBR-SFHVURJKSA-N 1 1 298.430 3.365 20 10 CGCDMO CC(C)C[C@H]1C[N@@H+](Cc2cc3ccccc3cc2O)CCN1 ZINC001235881970 819195095 /nfs/dbraw/zinc/19/50/95/819195095.db2.gz MOYMPQUHIQGIBR-SFHVURJKSA-N 1 1 298.430 3.365 20 10 CGCDMO CCC[C@@H]1CNCC[N@H+]1Cc1ccc2ccccc2c1O ZINC001236132416 819334663 /nfs/dbraw/zinc/33/46/63/819334663.db2.gz JPBWULFYVWOWCX-MRXNPFEDSA-N 1 1 284.403 3.119 20 10 CGCDMO CCC[C@@H]1C[NH2+]CCN1Cc1ccc2ccccc2c1O ZINC001236132416 819334671 /nfs/dbraw/zinc/33/46/71/819334671.db2.gz JPBWULFYVWOWCX-MRXNPFEDSA-N 1 1 284.403 3.119 20 10 CGCDMO Cc1cccnc1O[C@H]1CCC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001236537343 819527950 /nfs/dbraw/zinc/52/79/50/819527950.db2.gz VXYSCHOFETWHGU-KRWDZBQOSA-N 1 1 297.402 3.016 20 10 CGCDMO CCC[N@@H+](CC)Cc1cc(O)c(Br)cc1O ZINC001236772726 819592121 /nfs/dbraw/zinc/59/21/21/819592121.db2.gz IZKKDJCNWZDKDR-UHFFFAOYSA-N 1 1 288.185 3.092 20 10 CGCDMO C[C@H]1CC[C@@H](CO)[N@H+]1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236793610 819596746 /nfs/dbraw/zinc/59/67/46/819596746.db2.gz MGENNCXAMMMZOV-WPRPVWTQSA-N 1 1 290.190 3.044 20 10 CGCDMO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1cc(Cl)c(Cl)cc1O ZINC001236793610 819596751 /nfs/dbraw/zinc/59/67/51/819596751.db2.gz MGENNCXAMMMZOV-WPRPVWTQSA-N 1 1 290.190 3.044 20 10 CGCDMO C[C@H]1CC[C@@H](CO)[N@H+]1Cc1cc(Cl)c(Cl)cc1O ZINC001236793610 819596754 /nfs/dbraw/zinc/59/67/54/819596754.db2.gz MGENNCXAMMMZOV-WPRPVWTQSA-N 1 1 290.190 3.044 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CC[C@H](C)C[C@H]2C)c(O)c1 ZINC001236810213 819603664 /nfs/dbraw/zinc/60/36/64/819603664.db2.gz DHQNYKFKLBVZJJ-WCQYABFASA-N 1 1 263.381 3.330 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@H](O)CC2)c(O)c1 ZINC001237044814 819650789 /nfs/dbraw/zinc/65/07/89/819650789.db2.gz DSMJAPIKXUXXRC-CZUORRHYSA-N 1 1 277.408 3.108 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCN3CCCC[C@@H]3C2)c(O)c1 ZINC001237052886 819651733 /nfs/dbraw/zinc/65/17/33/819651733.db2.gz DXPDLGAQIROSHT-QGZVFWFLSA-N 1 1 288.435 3.186 20 10 CGCDMO CC(C)c1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c(O)c1 ZINC001237052886 819651738 /nfs/dbraw/zinc/65/17/38/819651738.db2.gz DXPDLGAQIROSHT-QGZVFWFLSA-N 1 1 288.435 3.186 20 10 CGCDMO CC(C)c1ccc(CN2CC[N@H+]3CCCC[C@@H]3C2)c(O)c1 ZINC001237052886 819651743 /nfs/dbraw/zinc/65/17/43/819651743.db2.gz DXPDLGAQIROSHT-QGZVFWFLSA-N 1 1 288.435 3.186 20 10 CGCDMO CC[N@@H+](Cc1ccc(C(C)C)cc1O)C1CCN(C)CC1 ZINC001237054358 819654452 /nfs/dbraw/zinc/65/44/52/819654452.db2.gz WNXMBUMPLJPMSQ-UHFFFAOYSA-N 1 1 290.451 3.432 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237138799 819675599 /nfs/dbraw/zinc/67/55/99/819675599.db2.gz YXQOXIHXSZINIL-GFCCVEGCSA-N 1 1 289.297 3.022 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1ccncc1C(F)(F)F ZINC001237291863 819719297 /nfs/dbraw/zinc/71/92/97/819719297.db2.gz GPBWDIRUPOHQRZ-UHFFFAOYSA-N 1 1 296.292 3.438 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001237489440 819762429 /nfs/dbraw/zinc/76/24/29/819762429.db2.gz HPRNEXVZAGLPAP-INIZCTEOSA-N 1 1 282.387 3.303 20 10 CGCDMO COc1c(C)cccc1C[N@@H+](C)Cc1ccccc1O ZINC001237507093 819766836 /nfs/dbraw/zinc/76/68/36/819766836.db2.gz JXITWHNHFIMNFE-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@@H]2C(C)C)c(O)c(OC)c1 ZINC001237680482 819805633 /nfs/dbraw/zinc/80/56/33/819805633.db2.gz KIJJISXVZDJVIJ-CQSZACIVSA-N 1 1 279.380 3.030 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+](C)CCc2cccnc2)c1O ZINC001237687374 819806238 /nfs/dbraw/zinc/80/62/38/819806238.db2.gz ZBCHJARSXSYNIG-UHFFFAOYSA-N 1 1 290.794 3.424 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1O ZINC001237680883 819807125 /nfs/dbraw/zinc/80/71/25/819807125.db2.gz VNUGGBAMBVUMHW-XDTLVQLUSA-N 1 1 269.747 3.144 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1O ZINC001237680883 819807134 /nfs/dbraw/zinc/80/71/34/819807134.db2.gz VNUGGBAMBVUMHW-XDTLVQLUSA-N 1 1 269.747 3.144 20 10 CGCDMO C[N@@H+](Cc1cc(F)c(Cl)cc1O)C[C@H]1CCCCO1 ZINC001237937639 819887872 /nfs/dbraw/zinc/88/78/72/819887872.db2.gz SMWRZTKSRRBWNF-LLVKDONJSA-N 1 1 287.762 3.186 20 10 CGCDMO C[N@H+](Cc1cc(F)c(Cl)cc1O)C[C@H]1CCCCO1 ZINC001237937639 819887882 /nfs/dbraw/zinc/88/78/82/819887882.db2.gz SMWRZTKSRRBWNF-LLVKDONJSA-N 1 1 287.762 3.186 20 10 CGCDMO Cc1cc(F)cc(C[N@@H+]2CCCC[C@@H](C)C2)c1O ZINC001238057797 819920502 /nfs/dbraw/zinc/92/05/02/819920502.db2.gz NNZAVJGRZSCLNU-LLVKDONJSA-N 1 1 251.345 3.462 20 10 CGCDMO Cc1cc(F)cc(C[N@@H+]2CC[C@H](C)C[C@H]2C)c1O ZINC001238062882 819920656 /nfs/dbraw/zinc/92/06/56/819920656.db2.gz UDHHPHUALBVKHT-CMPLNLGQSA-N 1 1 251.345 3.460 20 10 CGCDMO CC[C@H]1CCC[N@@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238070570 819925020 /nfs/dbraw/zinc/92/50/20/819925020.db2.gz NKCKBEGYTSRDEY-LBPRGKRZSA-N 1 1 251.345 3.462 20 10 CGCDMO CCOC1CC([N@@H+](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001474553606 937866751 /nfs/dbraw/zinc/86/67/51/937866751.db2.gz RELAHCLQQYOOJU-UHFFFAOYSA-N 1 1 276.424 3.060 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)CC1(OC)CCC1 ZINC001352824619 937050507 /nfs/dbraw/zinc/05/05/07/937050507.db2.gz CNOLZXBDHCQYES-UHFFFAOYSA-N 1 1 263.381 3.173 20 10 CGCDMO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(N)cc1 ZINC001356083738 937152433 /nfs/dbraw/zinc/15/24/33/937152433.db2.gz ZOCFERIOBCSISK-GFCCVEGCSA-N 1 1 256.349 3.167 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001474393366 937205459 /nfs/dbraw/zinc/20/54/59/937205459.db2.gz OWLSWPOPJBNKGB-MLGOLLRUSA-N 1 1 264.388 3.241 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@@H](N3CCCCC3)C2)c1O ZINC001140178949 931957201 /nfs/dbraw/zinc/95/72/01/931957201.db2.gz DMEUEBRTGIRZAW-MRXNPFEDSA-N 1 1 288.435 3.069 20 10 CGCDMO Cc1ccc(C)c(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1O ZINC001140178949 931957207 /nfs/dbraw/zinc/95/72/07/931957207.db2.gz DMEUEBRTGIRZAW-MRXNPFEDSA-N 1 1 288.435 3.069 20 10 CGCDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C)cc2O)C1(C)C ZINC001308567783 933135444 /nfs/dbraw/zinc/13/54/44/933135444.db2.gz OUZUUQNDYBJGAB-HOTGVXAUSA-N 1 1 277.408 3.336 20 10 CGCDMO CCC[C@H](C[N@@H+](CCC)Cc1ccccc1O)OC ZINC001308617084 933143554 /nfs/dbraw/zinc/14/35/54/933143554.db2.gz IKPNCDVTXSGTBG-OAHLLOKOSA-N 1 1 265.397 3.419 20 10 CGCDMO Cc1n[nH]c(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)c1C ZINC001308748844 933170591 /nfs/dbraw/zinc/17/05/91/933170591.db2.gz UHFVXESSYUOUIT-UHFFFAOYSA-N 1 1 298.434 3.259 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)c(Cl)c1 ZINC001308847980 933189593 /nfs/dbraw/zinc/18/95/93/933189593.db2.gz HNQWNYANSPHSPI-LBPRGKRZSA-N 1 1 295.810 3.497 20 10 CGCDMO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC001320130162 934006069 /nfs/dbraw/zinc/00/60/69/934006069.db2.gz JBLCIHQLBMJSAY-MNOVXSKESA-N 1 1 297.370 3.302 20 10 CGCDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C1(C)C ZINC001473187884 937796504 /nfs/dbraw/zinc/79/65/04/937796504.db2.gz UFAXMPKWVSCCNR-AEFFLSMTSA-N 1 1 290.451 3.388 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)c1ccc(F)cc1O ZINC001328400494 935134602 /nfs/dbraw/zinc/13/46/02/935134602.db2.gz RMADHZNADDBKST-UMNHJUIQSA-N 1 1 255.308 3.463 20 10 CGCDMO Cc1ccc(O)c(CNc2nc(C)[nH+]c(C)c2C)c1 ZINC001331313076 935368098 /nfs/dbraw/zinc/36/80/98/935368098.db2.gz RIEZIRFSOXHZPG-UHFFFAOYSA-N 1 1 257.337 3.028 20 10 CGCDMO COC1(C[NH2+]Cc2cc(F)cc(F)c2O)CCC(C)CC1 ZINC001474135840 937841699 /nfs/dbraw/zinc/84/16/99/937841699.db2.gz LDLDZPRQDONYJW-UHFFFAOYSA-N 1 1 299.361 3.355 20 10 CGCDMO Cc1ccc(C[N@@H+](C)Cc2cc(F)c(F)cc2O)o1 ZINC001474412705 937858307 /nfs/dbraw/zinc/85/83/07/937858307.db2.gz CMGCTZCGNYKOOU-UHFFFAOYSA-N 1 1 267.275 3.204 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2cc(F)c(F)cc2O)o1 ZINC001474412705 937858309 /nfs/dbraw/zinc/85/83/09/937858309.db2.gz CMGCTZCGNYKOOU-UHFFFAOYSA-N 1 1 267.275 3.204 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@@H+](C)CCCn2ccnc2)c1 ZINC001474500612 937863423 /nfs/dbraw/zinc/86/34/23/937863423.db2.gz GIYYIAJTBXRSRL-UHFFFAOYSA-N 1 1 287.407 3.234 20 10 CGCDMO COc1ccc(C[NH2+]Cc2cc(C(C)C)no2)cc1C ZINC001560330588 938253725 /nfs/dbraw/zinc/25/37/25/938253725.db2.gz TZBMKNXPRXUWCK-UHFFFAOYSA-N 1 1 274.364 3.405 20 10 CGCDMO C[C@]1(CC[NH2+]Cc2cc(F)c(F)cc2O)CC1(F)F ZINC001560936415 938284999 /nfs/dbraw/zinc/28/49/99/938284999.db2.gz YNMJREODTBIKRW-LBPRGKRZSA-N 1 1 277.261 3.195 20 10 CGCDMO COc1cccc(CNc2cc[nH+]cc2Cl)c1O ZINC000091479314 345815618 /nfs/dbraw/zinc/81/56/18/345815618.db2.gz BLWMTAXYCGMFCR-UHFFFAOYSA-N 1 1 264.712 3.061 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2ccoc2C)c1 ZINC000092451849 370098610 /nfs/dbraw/zinc/09/86/10/370098610.db2.gz DVEXGELGEKKJLE-UHFFFAOYSA-N 1 1 275.348 3.324 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)C2CCC2)c1O ZINC000135822176 371450535 /nfs/dbraw/zinc/45/05/35/371450535.db2.gz NBOIKOIUDWIEMR-UHFFFAOYSA-N 1 1 267.756 3.233 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)C2CCC2)c1O ZINC000135822176 371450542 /nfs/dbraw/zinc/45/05/42/371450542.db2.gz NBOIKOIUDWIEMR-UHFFFAOYSA-N 1 1 267.756 3.233 20 10 CGCDMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@@H]1CCCCO1 ZINC000293556835 372411455 /nfs/dbraw/zinc/41/14/55/372411455.db2.gz HQXAPLZKCSXXPE-OTYXRUKQSA-N 1 1 287.762 3.232 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)ccc1N(C)C ZINC000296179991 373045280 /nfs/dbraw/zinc/04/52/80/373045280.db2.gz UKFARLMZQUAWCT-MRXNPFEDSA-N 1 1 290.451 3.044 20 10 CGCDMO COC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000180199403 373977065 /nfs/dbraw/zinc/97/70/65/373977065.db2.gz NUNCKWFWRZXOCK-GFCCVEGCSA-N 1 1 283.799 3.212 20 10 CGCDMO C[C@H](C[N@@H+](C)Cc1cc(F)ccc1O)c1nccs1 ZINC000183257082 374392440 /nfs/dbraw/zinc/39/24/40/374392440.db2.gz SRTXDYVAODKPNA-SNVBAGLBSA-N 1 1 280.368 3.223 20 10 CGCDMO C[C@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccccc1O ZINC000183517323 374423070 /nfs/dbraw/zinc/42/30/70/374423070.db2.gz YHDFCLDRRQQZLB-XJKSGUPXSA-N 1 1 278.440 3.409 20 10 CGCDMO C[C@@H]([NH2+]CC[C@H](C)O)c1cc(Cl)c(Cl)cc1O ZINC000192866912 375795412 /nfs/dbraw/zinc/79/54/12/375795412.db2.gz SDIXGEGARDYZAY-JGVFFNPUSA-N 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C[N@@H+](CCc1ccc(F)cc1)Cc1cc(F)ccc1O ZINC000179948618 624699477 /nfs/dbraw/zinc/69/94/77/624699477.db2.gz ZXHWXVXPXMDDDU-UHFFFAOYSA-N 1 1 277.314 3.345 20 10 CGCDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)ccc1O ZINC000179928988 624699817 /nfs/dbraw/zinc/69/98/17/624699817.db2.gz DPQHCETTZOKHIH-UHFFFAOYSA-N 1 1 270.307 3.035 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc2cncn2c1)c1ccc(N(C)C)cc1 ZINC000840781901 625871642 /nfs/dbraw/zinc/87/16/42/625871642.db2.gz ZGDMSYUFQFXWQY-CQSZACIVSA-N 1 1 294.402 3.251 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cscn1 ZINC000922240301 625988604 /nfs/dbraw/zinc/98/86/04/625988604.db2.gz FDFPGKNQCRQWPC-LLVKDONJSA-N 1 1 274.389 3.319 20 10 CGCDMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CCCCC2)cc1 ZINC000839131471 626321372 /nfs/dbraw/zinc/32/13/72/626321372.db2.gz LDRINKDLLAMZBK-HDICACEKSA-N 1 1 298.430 3.373 20 10 CGCDMO CO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C12CCC2 ZINC000839180765 626326308 /nfs/dbraw/zinc/32/63/08/626326308.db2.gz WIGRSAWDPJOVIG-UONOGXRCSA-N 1 1 299.773 3.232 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000753576214 626456192 /nfs/dbraw/zinc/45/61/92/626456192.db2.gz PLIBWSWQQLEVNB-GFCCVEGCSA-N 1 1 263.381 3.269 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000753589573 626457267 /nfs/dbraw/zinc/45/72/67/626457267.db2.gz JSUAVRFGGRFHPA-GFCCVEGCSA-N 1 1 263.381 3.269 20 10 CGCDMO C[N@@H+](CCc1nccs1)Cc1c(O)ccc2ccncc21 ZINC000753811962 626466590 /nfs/dbraw/zinc/46/65/90/626466590.db2.gz PVTZQWIKNBVPDV-UHFFFAOYSA-N 1 1 299.399 3.071 20 10 CGCDMO C[C@@H]1CSCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000754155924 626561098 /nfs/dbraw/zinc/56/10/98/626561098.db2.gz LTYAZZDEXXOUTK-JTQLQIEISA-N 1 1 271.813 3.231 20 10 CGCDMO C[C@H]1CSCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000754157158 626561763 /nfs/dbraw/zinc/56/17/63/626561763.db2.gz ZYQXEZBGPFQEPX-GFCCVEGCSA-N 1 1 282.428 3.077 20 10 CGCDMO Cc1nc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)sc1C ZINC000756043097 626671722 /nfs/dbraw/zinc/67/17/22/626671722.db2.gz YTLLEESLEOREBL-UHFFFAOYSA-N 1 1 289.448 3.458 20 10 CGCDMO Cc1nc(C[N@H+](C)Cc2ccc(N(C)C)cc2)sc1C ZINC000756043097 626671724 /nfs/dbraw/zinc/67/17/24/626671724.db2.gz YTLLEESLEOREBL-UHFFFAOYSA-N 1 1 289.448 3.458 20 10 CGCDMO COCC(C)(C)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000756075548 626675134 /nfs/dbraw/zinc/67/51/34/626675134.db2.gz GATMKGUZGFDOLA-UHFFFAOYSA-N 1 1 290.451 3.390 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)CCS1 ZINC000756147810 626681269 /nfs/dbraw/zinc/68/12/69/626681269.db2.gz VRVYUSSTWBKMCA-SNVBAGLBSA-N 1 1 271.813 3.373 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2CCCCC2)c1 ZINC000756344811 626693781 /nfs/dbraw/zinc/69/37/81/626693781.db2.gz VXGISUGZEARJFV-GFCCVEGCSA-N 1 1 291.391 3.410 20 10 CGCDMO Cc1ccnc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000756486023 626709005 /nfs/dbraw/zinc/70/90/05/626709005.db2.gz DQOKGAFIYAGJFP-UHFFFAOYSA-N 1 1 298.434 3.262 20 10 CGCDMO Cc1ccnc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000756486023 626709011 /nfs/dbraw/zinc/70/90/11/626709011.db2.gz DQOKGAFIYAGJFP-UHFFFAOYSA-N 1 1 298.434 3.262 20 10 CGCDMO C[C@@H]([NH2+]CCN1[C@H](C)CCC[C@@H]1C)c1ccc(F)cc1O ZINC000756556984 626714386 /nfs/dbraw/zinc/71/43/86/626714386.db2.gz ZAJPOHGPRSBOEQ-HZSPNIEDSA-N 1 1 294.414 3.445 20 10 CGCDMO CO[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1O)C(C)(C)C ZINC000756625690 626721281 /nfs/dbraw/zinc/72/12/81/626721281.db2.gz KPHUKIAZFRUUEN-RNCFNFMXSA-N 1 1 287.350 3.382 20 10 CGCDMO C[C@H]([NH2+]Cc1ccon1)c1cc2c(cc1O)CCCC2 ZINC000756635318 626722905 /nfs/dbraw/zinc/72/29/05/626722905.db2.gz FQUJAKSXNYMAQV-NSHDSACASA-N 1 1 272.348 3.110 20 10 CGCDMO CCC[C@@H](CC)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000756681173 626726610 /nfs/dbraw/zinc/72/66/10/626726610.db2.gz HSXXRAIITAKFLY-DGCLKSJQSA-N 1 1 279.380 3.408 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000756817541 626734327 /nfs/dbraw/zinc/73/43/27/626734327.db2.gz KNIDTAQTPZVZOP-MNOVXSKESA-N 1 1 277.364 3.018 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCC(F)(F)C2)c1 ZINC000756851254 626737740 /nfs/dbraw/zinc/73/77/40/626737740.db2.gz QXWHIPBREFWSOY-MWLCHTKSSA-N 1 1 299.317 3.017 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+](C)Cc2cc3c(cc2O)OCO3)c1 ZINC000762049619 627083610 /nfs/dbraw/zinc/08/36/10/627083610.db2.gz ATPLKEXZBPVCII-UHFFFAOYSA-N 1 1 299.370 3.370 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)Cc1ccsc1 ZINC000768204400 627468601 /nfs/dbraw/zinc/46/86/01/627468601.db2.gz XAOVRALYXRHSNS-UHFFFAOYSA-N 1 1 263.362 3.094 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000768262164 627471901 /nfs/dbraw/zinc/47/19/01/627471901.db2.gz HDSLRHRZGPUULF-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO C[C@@H]1[N@@H+](Cc2cc3c(cc2O)CCCC3)CCOC1(C)C ZINC000768463831 627481351 /nfs/dbraw/zinc/48/13/51/627481351.db2.gz XOCBILRZCKJAAZ-ZDUSSCGKSA-N 1 1 289.419 3.270 20 10 CGCDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000768464951 627481383 /nfs/dbraw/zinc/48/13/83/627481383.db2.gz CWPYOVNPOXOQGR-WCQYABFASA-N 1 1 279.380 3.030 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)c(O)cc1C ZINC000768465010 627481439 /nfs/dbraw/zinc/48/14/39/627481439.db2.gz JAJTUVAKTDWWJI-DGCLKSJQSA-N 1 1 263.381 3.187 20 10 CGCDMO CC(C)C[C@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000768543414 627485864 /nfs/dbraw/zinc/48/58/64/627485864.db2.gz JEZSXKMPLAJKQP-INIZCTEOSA-N 1 1 290.451 3.390 20 10 CGCDMO COC(=O)CC[N@H+](Cc1c(O)cccc1Cl)CC(C)C ZINC000768853012 627504178 /nfs/dbraw/zinc/50/41/78/627504178.db2.gz ILIOJYGAHAONLC-UHFFFAOYSA-N 1 1 299.798 3.067 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccoc2)cc1F ZINC000769007341 627516420 /nfs/dbraw/zinc/51/64/20/627516420.db2.gz ZQMRBMWUORBSMW-UHFFFAOYSA-N 1 1 262.328 3.117 20 10 CGCDMO Cn1ccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000769382907 627546962 /nfs/dbraw/zinc/54/69/62/627546962.db2.gz CUBYARLOUQOAFS-UHFFFAOYSA-N 1 1 285.391 3.071 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@H](C)C2)c1 ZINC000769451552 627554265 /nfs/dbraw/zinc/55/42/65/627554265.db2.gz MXTYEQGCNISLNE-CHWSQXEVSA-N 1 1 263.381 3.269 20 10 CGCDMO CCN1CC[C@H]([N@H+](C)Cc2cc(C)c(C)cc2O)C[C@@H]1C ZINC000769469928 627557593 /nfs/dbraw/zinc/55/75/93/627557593.db2.gz HSHABHOMDALFDV-RDJZCZTQSA-N 1 1 290.451 3.314 20 10 CGCDMO CCN1CC[C@H]([N@@H+](C)Cc2cc(C)c(C)cc2O)C[C@@H]1C ZINC000769469928 627557595 /nfs/dbraw/zinc/55/75/95/627557595.db2.gz HSHABHOMDALFDV-RDJZCZTQSA-N 1 1 290.451 3.314 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@@H]2Cc2ccccc2)c1O ZINC000769505955 627561301 /nfs/dbraw/zinc/56/13/01/627561301.db2.gz LMVLNAJPAWMJFJ-MRXNPFEDSA-N 1 1 283.371 3.218 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)cc1 ZINC000769534967 627563602 /nfs/dbraw/zinc/56/36/02/627563602.db2.gz ZYIVTFNRNMLRHR-KRWDZBQOSA-N 1 1 292.467 3.372 20 10 CGCDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000770309971 627612576 /nfs/dbraw/zinc/61/25/76/627612576.db2.gz BJCCCTQJKNJVMZ-TXEJJXNPSA-N 1 1 250.361 3.265 20 10 CGCDMO C[C@H](Nc1[nH+]cnc2[nH]ccc21)c1ccc(N(C)C)cc1 ZINC000772300920 627782694 /nfs/dbraw/zinc/78/26/94/627782694.db2.gz RALQRXYIGZKGAU-NSHDSACASA-N 1 1 281.363 3.197 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000772597859 627805727 /nfs/dbraw/zinc/80/57/27/627805727.db2.gz CRPVBKSBVBLELC-GASCZTMLSA-N 1 1 276.424 3.142 20 10 CGCDMO CC[C@@H](CSC)[N@@H+](C)Cc1cc(C)cc(OC)c1O ZINC000773259553 627869851 /nfs/dbraw/zinc/86/98/51/627869851.db2.gz WCLAHUOVPJUISO-ZDUSSCGKSA-N 1 1 283.437 3.283 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](CCOC)CC(C)C)cc1 ZINC000773729307 627908523 /nfs/dbraw/zinc/90/85/23/627908523.db2.gz IRTJRSDIAJZOBW-UHFFFAOYSA-N 1 1 278.440 3.247 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)cc1 ZINC000773888884 627924841 /nfs/dbraw/zinc/92/48/41/627924841.db2.gz RVAYNOSHKBVUNE-RLFYNMQTSA-N 1 1 290.451 3.124 20 10 CGCDMO C[C@@H]([NH2+]Cc1coc(C2CC2)n1)c1ccc(N(C)C)cc1 ZINC000775363986 628086354 /nfs/dbraw/zinc/08/63/54/628086354.db2.gz ONLKGGAKQHAXNZ-GFCCVEGCSA-N 1 1 285.391 3.469 20 10 CGCDMO CCCC[N@H+](CC)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775639081 628118116 /nfs/dbraw/zinc/11/81/16/628118116.db2.gz NSIWSAFFYSQTFQ-UHFFFAOYSA-N 1 1 289.467 3.060 20 10 CGCDMO CCCC[N@@H+](CC)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775639081 628118118 /nfs/dbraw/zinc/11/81/18/628118118.db2.gz NSIWSAFFYSQTFQ-UHFFFAOYSA-N 1 1 289.467 3.060 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](C)CCC[C@H]2C)c1 ZINC000775710018 628128593 /nfs/dbraw/zinc/12/85/93/628128593.db2.gz ZVKQBWLNKOXGDN-QWHCGFSZSA-N 1 1 263.381 3.411 20 10 CGCDMO CCCN(CCC)c1ccc(C[N@@H+](C)C[C@H](C)O)cc1 ZINC000776520612 628216600 /nfs/dbraw/zinc/21/66/00/628216600.db2.gz CLAGOTGMMFKRRX-HNNXBMFYSA-N 1 1 278.440 3.126 20 10 CGCDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)ccc2O)C12CCC2 ZINC000779034847 628384944 /nfs/dbraw/zinc/38/49/44/628384944.db2.gz VGJFSVYNZDEQIS-JKSUJKDBSA-N 1 1 293.382 3.311 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@H]1F ZINC000779151515 628391181 /nfs/dbraw/zinc/39/11/81/628391181.db2.gz ZLKSRUSEQWRQDO-BXKDBHETSA-N 1 1 257.736 3.226 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C[C@H]1F ZINC000779151515 628391182 /nfs/dbraw/zinc/39/11/82/628391182.db2.gz ZLKSRUSEQWRQDO-BXKDBHETSA-N 1 1 257.736 3.226 20 10 CGCDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C[C@@H]1O ZINC000779432255 628413382 /nfs/dbraw/zinc/41/33/82/628413382.db2.gz QDERGUVXKVBSGT-DOMZBBRYSA-N 1 1 297.826 3.275 20 10 CGCDMO CC[C@H]1C[C@@H](C[N@@H+](C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000780755465 628514778 /nfs/dbraw/zinc/51/47/78/628514778.db2.gz VJNIEXAUAFHHHX-WMZOPIPTSA-N 1 1 290.451 3.390 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000781149968 628541182 /nfs/dbraw/zinc/54/11/82/628541182.db2.gz ANAVLDHXUXSOEM-CYBMUJFWSA-N 1 1 285.334 3.213 20 10 CGCDMO C[C@]1(CO)CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000789558526 629145299 /nfs/dbraw/zinc/14/52/99/629145299.db2.gz XOYRRUMBPPOQOV-GOSISDBHSA-N 1 1 288.435 3.024 20 10 CGCDMO CC1(C)CC[N@@H+](Cc2cc(F)ccc2O)CCS1 ZINC000789763147 629166558 /nfs/dbraw/zinc/16/65/58/629166558.db2.gz FNGFCJRIMUYCNB-UHFFFAOYSA-N 1 1 269.385 3.249 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCC(F)(F)F ZINC000790970698 629244146 /nfs/dbraw/zinc/24/41/46/629244146.db2.gz NOPUNGVIQFMNLL-UHFFFAOYSA-N 1 1 271.641 3.227 20 10 CGCDMO CC1=CC[N@@H+](Cc2c(O)cccc2Br)CC1 ZINC000862246925 629330048 /nfs/dbraw/zinc/33/00/48/629330048.db2.gz PEMKIHPDBURZJL-UHFFFAOYSA-N 1 1 282.181 3.307 20 10 CGCDMO C[C@H]1CSCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000792720930 629376786 /nfs/dbraw/zinc/37/67/86/629376786.db2.gz VAECUSKGLSSQEN-CYBMUJFWSA-N 1 1 291.460 3.456 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCCC3(CC3)CC2)cc1OC ZINC000862539250 629394795 /nfs/dbraw/zinc/39/47/95/629394795.db2.gz KUUVEDDYWBGSAZ-UHFFFAOYSA-N 1 1 291.391 3.176 20 10 CGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000793216555 629429389 /nfs/dbraw/zinc/42/93/89/629429389.db2.gz IMBXOGDKAAVOKB-HNNXBMFYSA-N 1 1 283.799 3.355 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+]2[C@H](C)C[C@@H]2C)c1O ZINC000793220847 629430419 /nfs/dbraw/zinc/43/04/19/629430419.db2.gz RXLIPOTWBULHCX-DTORHVGOSA-N 1 1 255.745 3.037 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000793230684 629433446 /nfs/dbraw/zinc/43/34/46/629433446.db2.gz IAVXKYYEJZDNMP-GXSJLCMTSA-N 1 1 289.297 3.174 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c(O)cc1C ZINC000793543180 629480158 /nfs/dbraw/zinc/48/01/58/629480158.db2.gz GAWZEAPXOMVVFI-LSDHHAIUSA-N 1 1 297.345 3.186 20 10 CGCDMO CCc1cc(C[N@@H+]2CCO[C@H]3C[C@H]32)c(O)c(C(C)(C)C)c1 ZINC000793618346 629490989 /nfs/dbraw/zinc/49/09/89/629490989.db2.gz LHXKIWZLELLBGX-CVEARBPZSA-N 1 1 289.419 3.225 20 10 CGCDMO CCc1cc(C[N@H+]2CCO[C@H]3C[C@H]32)c(O)c(C(C)(C)C)c1 ZINC000793618346 629490990 /nfs/dbraw/zinc/49/09/90/629490990.db2.gz LHXKIWZLELLBGX-CVEARBPZSA-N 1 1 289.419 3.225 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)NC1)c1cc2c(cc1O)CCCC2 ZINC000863546685 629603796 /nfs/dbraw/zinc/60/37/96/629603796.db2.gz MVRVIHNMCHEBDS-XJKCOSOUSA-N 1 1 288.435 3.062 20 10 CGCDMO Cc1nccc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000796459976 629784310 /nfs/dbraw/zinc/78/43/10/629784310.db2.gz ZDCUZRXPYXQRSI-UHFFFAOYSA-N 1 1 296.418 3.016 20 10 CGCDMO CC[C@@H]([NH2+]CCc1ccco1)c1ccc(F)cc1O ZINC000796673612 629814040 /nfs/dbraw/zinc/81/40/40/629814040.db2.gz SPMLVRPMHNIOBH-CQSZACIVSA-N 1 1 263.312 3.408 20 10 CGCDMO CC[C@H](C)N(C)CC[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000796745969 629824317 /nfs/dbraw/zinc/82/43/17/629824317.db2.gz UJEGUIHKGXAGIN-WFASDCNBSA-N 1 1 282.403 3.302 20 10 CGCDMO CC[C@@H]([NH2+]CCN(CC)C(C)C)c1ccc(F)cc1O ZINC000796746258 629824981 /nfs/dbraw/zinc/82/49/81/629824981.db2.gz RACOYUMUKLMFSC-OAHLLOKOSA-N 1 1 282.403 3.302 20 10 CGCDMO CC[C@H](O)CCC[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000796827568 629842016 /nfs/dbraw/zinc/84/20/16/629842016.db2.gz OCOBJMSFSNOZBU-JSGCOSHPSA-N 1 1 269.360 3.123 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC000798965610 630131653 /nfs/dbraw/zinc/13/16/53/630131653.db2.gz VJSGHRNLOMHNPD-CQSZACIVSA-N 1 1 298.386 3.175 20 10 CGCDMO CCCN(CCC)c1ccc(C[N@@H+](C)CCCO)cc1 ZINC000799739533 630229203 /nfs/dbraw/zinc/22/92/03/630229203.db2.gz JDWPIIBKPRLSEB-UHFFFAOYSA-N 1 1 278.440 3.127 20 10 CGCDMO Cc1cc(F)cc2c1C[N@@H+](Cc1ccccc1O)CC2 ZINC000800535695 630291430 /nfs/dbraw/zinc/29/14/30/630291430.db2.gz GDCBGMOXFOZZEH-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000802656420 630403068 /nfs/dbraw/zinc/40/30/68/630403068.db2.gz LDXMNFGGWAKROD-QGZVFWFLSA-N 1 1 271.335 3.463 20 10 CGCDMO CCCC[C@@](C)(CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000842746410 635457527 /nfs/dbraw/zinc/45/75/27/635457527.db2.gz KUSRMXDQNQEZDO-AWEZNQCLSA-N 1 1 289.778 3.216 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CC(C)(C)C[C@H]2C)c1O ZINC000840184447 630802172 /nfs/dbraw/zinc/80/21/72/630802172.db2.gz RYPSYCAYQPTZCX-GFCCVEGCSA-N 1 1 263.381 3.330 20 10 CGCDMO CCC(CC)[N@@H+](CC)Cc1cc(OC)c(OC)cc1O ZINC000809787445 630808258 /nfs/dbraw/zinc/80/82/58/630808258.db2.gz CSTMMRYLVFLYPX-UHFFFAOYSA-N 1 1 281.396 3.420 20 10 CGCDMO CCC[N@@H+](CC)C[C@@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000810179767 630850825 /nfs/dbraw/zinc/85/08/25/630850825.db2.gz FOXYFMLHVQVGKA-CQSZACIVSA-N 1 1 295.446 3.102 20 10 CGCDMO CCCN(CC)C[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000810179767 630850829 /nfs/dbraw/zinc/85/08/29/630850829.db2.gz FOXYFMLHVQVGKA-CQSZACIVSA-N 1 1 295.446 3.102 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000811512498 631080157 /nfs/dbraw/zinc/08/01/57/631080157.db2.gz MOFDMWNOYZHRPC-LJQANCHMSA-N 1 1 295.382 3.362 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)c1O ZINC000811513601 631081234 /nfs/dbraw/zinc/08/12/34/631081234.db2.gz LCLQFGDQIWOVJX-INIZCTEOSA-N 1 1 275.392 3.411 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](CC)[C@@H]2CCOC2)cc1F ZINC000812780723 631307193 /nfs/dbraw/zinc/30/71/93/631307193.db2.gz PNMCQMJLJFOARC-OAHLLOKOSA-N 1 1 294.414 3.283 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](CC)C[C@@H](C)OC)cc1 ZINC000812808186 631317315 /nfs/dbraw/zinc/31/73/15/631317315.db2.gz ATMUECLRMSYORI-OAHLLOKOSA-N 1 1 278.440 3.390 20 10 CGCDMO CSC[C@H]1CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000814179636 631540206 /nfs/dbraw/zinc/54/02/06/631540206.db2.gz WXNGEVVXANWNSU-ZDUSSCGKSA-N 1 1 265.422 3.276 20 10 CGCDMO Cn1c2cc(F)ccc2[nH+]c1NCc1ccccc1O ZINC000814255753 631564357 /nfs/dbraw/zinc/56/43/57/631564357.db2.gz CGIWPRXZBKWXSQ-UHFFFAOYSA-N 1 1 271.295 3.030 20 10 CGCDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815017118 631703590 /nfs/dbraw/zinc/70/35/90/631703590.db2.gz GJZCJFVYBDHYGL-GOEBONIOSA-N 1 1 276.424 3.060 20 10 CGCDMO Cc1cc(C[N@H+]2CCOCC3(CCC3)C2)ccc1N(C)C ZINC000815092481 631714754 /nfs/dbraw/zinc/71/47/54/631714754.db2.gz IINKAQULZGLFPP-UHFFFAOYSA-N 1 1 288.435 3.064 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C(C)C)[C@@H]2CCOC2)cc1 ZINC000815117744 631721289 /nfs/dbraw/zinc/72/12/89/631721289.db2.gz BUCUSNDJDZCRHQ-QGZVFWFLSA-N 1 1 276.424 3.142 20 10 CGCDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000815121234 631721414 /nfs/dbraw/zinc/72/14/14/631721414.db2.gz XZEHPQZJVXAHSZ-SFHVURJKSA-N 1 1 290.451 3.127 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000816484838 631990101 /nfs/dbraw/zinc/99/01/01/631990101.db2.gz QCOXLFYMWDUDBS-SNVBAGLBSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000816484838 631990105 /nfs/dbraw/zinc/99/01/05/631990105.db2.gz QCOXLFYMWDUDBS-SNVBAGLBSA-N 1 1 299.773 3.186 20 10 CGCDMO CCCCC[N@H+](CCO)Cc1cc(Cl)c(F)cc1O ZINC000816484204 631990281 /nfs/dbraw/zinc/99/02/81/631990281.db2.gz TWQOVGQYOBCUPQ-UHFFFAOYSA-N 1 1 289.778 3.169 20 10 CGCDMO CCCCC[N@@H+](CCO)Cc1cc(Cl)c(F)cc1O ZINC000816484204 631990296 /nfs/dbraw/zinc/99/02/96/631990296.db2.gz TWQOVGQYOBCUPQ-UHFFFAOYSA-N 1 1 289.778 3.169 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000816516419 632002209 /nfs/dbraw/zinc/00/22/09/632002209.db2.gz FHGAGTGPJIIQAH-GHMZBOCLSA-N 1 1 299.773 3.043 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000816516419 632002218 /nfs/dbraw/zinc/00/22/18/632002218.db2.gz FHGAGTGPJIIQAH-GHMZBOCLSA-N 1 1 299.773 3.043 20 10 CGCDMO C[N@H+](Cc1cc(Cl)c(F)cc1O)[C@H](CO)C(C)(C)C ZINC000816518863 632002236 /nfs/dbraw/zinc/00/22/36/632002236.db2.gz PRXZSIWBFXMTLE-CYBMUJFWSA-N 1 1 289.778 3.024 20 10 CGCDMO C[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@H](CO)C(C)(C)C ZINC000816518863 632002242 /nfs/dbraw/zinc/00/22/42/632002242.db2.gz PRXZSIWBFXMTLE-CYBMUJFWSA-N 1 1 289.778 3.024 20 10 CGCDMO CC(C)(C)C[C@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816558162 632011905 /nfs/dbraw/zinc/01/19/05/632011905.db2.gz OYCITFMWCQVEEK-SNVBAGLBSA-N 1 1 289.778 3.071 20 10 CGCDMO CO[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CC[C@H]1C ZINC000816586420 632018238 /nfs/dbraw/zinc/01/82/38/632018238.db2.gz HMFZYTGAHDSWCQ-CXAGYDPISA-N 1 1 285.387 3.402 20 10 CGCDMO CC1(CC[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816594679 632019302 /nfs/dbraw/zinc/01/93/02/632019302.db2.gz MGFYVKYHWNGKEI-UHFFFAOYSA-N 1 1 257.736 3.465 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000816666665 632040715 /nfs/dbraw/zinc/04/07/15/632040715.db2.gz SROANKNXTXHFIH-HOTGVXAUSA-N 1 1 293.794 3.189 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000816666665 632040719 /nfs/dbraw/zinc/04/07/19/632040719.db2.gz SROANKNXTXHFIH-HOTGVXAUSA-N 1 1 293.794 3.189 20 10 CGCDMO CC[C@H]([NH2+]C[C@H](N)c1ccccc1)c1ccc(F)cc1O ZINC000817955545 632250292 /nfs/dbraw/zinc/25/02/92/632250292.db2.gz YMDUPGNNKUQHRB-HOTGVXAUSA-N 1 1 288.366 3.272 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc2ccccc2c1[O-] ZINC000817971673 632265187 /nfs/dbraw/zinc/26/51/87/632265187.db2.gz OVPGKUBBVWQQME-IIYDPXPESA-N 1 1 284.403 3.194 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)c1ccc(F)cc1O ZINC000866446537 633135908 /nfs/dbraw/zinc/13/59/08/633135908.db2.gz FOJHCVDJZPVQKT-XYHOJCAOSA-N 1 1 267.344 3.138 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1ccc(F)cc1O ZINC000866449531 633139000 /nfs/dbraw/zinc/13/90/00/633139000.db2.gz CTKXBJNGVBEBIH-TVYUQYBPSA-N 1 1 255.308 3.463 20 10 CGCDMO CC(F)(F)CC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000824483222 633250238 /nfs/dbraw/zinc/25/02/38/633250238.db2.gz JDFWBLQUENRSLB-UHFFFAOYSA-N 1 1 267.678 3.320 20 10 CGCDMO CC[C@@H](C)[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)OC ZINC000824596994 633262926 /nfs/dbraw/zinc/26/29/26/633262926.db2.gz NCTGWRAACBONAG-RNCFNFMXSA-N 1 1 289.778 3.335 20 10 CGCDMO Cc1ccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)c(O)c1 ZINC000876562412 634858704 /nfs/dbraw/zinc/85/87/04/634858704.db2.gz QCIBFGAKQOBRJD-SFHVURJKSA-N 1 1 283.371 3.274 20 10 CGCDMO COC(C)(C)C[N@@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000824928733 633306663 /nfs/dbraw/zinc/30/66/63/633306663.db2.gz YUDKHEUKAXTKJZ-UHFFFAOYSA-N 1 1 271.788 3.211 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000824942088 633309041 /nfs/dbraw/zinc/30/90/41/633309041.db2.gz VYOZGIBFWYDXSF-GUYCJALGSA-N 1 1 273.376 3.021 20 10 CGCDMO Cc1cc([O-])c(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000825325534 633345792 /nfs/dbraw/zinc/34/57/92/633345792.db2.gz GZDVIARCLVAYAI-ZIAGYGMSSA-N 1 1 296.842 3.316 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1Cl ZINC000825904001 633388112 /nfs/dbraw/zinc/38/81/12/633388112.db2.gz ZYDRMWAZCGHZAW-CYBMUJFWSA-N 1 1 296.842 3.174 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1Cl ZINC000825904001 633388115 /nfs/dbraw/zinc/38/81/15/633388115.db2.gz ZYDRMWAZCGHZAW-CYBMUJFWSA-N 1 1 296.842 3.174 20 10 CGCDMO COCC(C)(C)[N@@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000825986750 633394688 /nfs/dbraw/zinc/39/46/88/633394688.db2.gz OOGKUWOWJFPDIT-UHFFFAOYSA-N 1 1 271.788 3.211 20 10 CGCDMO C[C@]1(C2CC2)CN(Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000826878437 633440162 /nfs/dbraw/zinc/44/01/62/633440162.db2.gz ZALZMZBWFBOCTN-OAHLLOKOSA-N 1 1 299.773 3.186 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000827506210 633495396 /nfs/dbraw/zinc/49/53/96/633495396.db2.gz DVANOELVJOIKNU-JGPFYOFESA-N 1 1 256.393 3.108 20 10 CGCDMO Cc1cnc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000122895821 633528130 /nfs/dbraw/zinc/52/81/30/633528130.db2.gz MRKMFJFNJBAYKE-GFCCVEGCSA-N 1 1 275.421 3.368 20 10 CGCDMO CCOCC[N@@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000828619231 633635653 /nfs/dbraw/zinc/63/56/53/633635653.db2.gz CUYDUDYOMAVICW-UHFFFAOYSA-N 1 1 290.451 3.454 20 10 CGCDMO C[C@@H]1CC2(C[N@H+]1Cc1ccc(N(C)C)cc1)CCOCC2 ZINC000830602987 633873984 /nfs/dbraw/zinc/87/39/84/633873984.db2.gz CRROANBXHIWXQC-OAHLLOKOSA-N 1 1 288.435 3.144 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000846118257 636147622 /nfs/dbraw/zinc/14/76/22/636147622.db2.gz WISIJZRRCRHKKH-MJSXRHKHSA-N 1 1 292.373 3.497 20 10 CGCDMO Cc1cc(CNC(C)(C)C[NH+]2CCCC2)ccc1N(C)C ZINC000832761632 634092438 /nfs/dbraw/zinc/09/24/38/634092438.db2.gz NDFIYQNSYLHKCG-UHFFFAOYSA-N 1 1 289.467 3.025 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2=CCCCC2)c1 ZINC000834834567 634252755 /nfs/dbraw/zinc/25/27/55/634252755.db2.gz CNAHEFWOHJGEEU-GFCCVEGCSA-N 1 1 289.375 3.330 20 10 CGCDMO Cc1cc(C)c([C@@H](C)[NH2+]Cc2nn(C)cc2Cl)c(O)c1 ZINC000834883666 634265614 /nfs/dbraw/zinc/26/56/14/634265614.db2.gz SZTZAADZGMAGSW-LLVKDONJSA-N 1 1 293.798 3.247 20 10 CGCDMO CCc1nc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)co1 ZINC000834896512 634273355 /nfs/dbraw/zinc/27/33/55/634273355.db2.gz CRPHAWBYCKSRGB-CABZTGNLSA-N 1 1 290.338 3.420 20 10 CGCDMO CCc1nc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)co1 ZINC000834898161 634274526 /nfs/dbraw/zinc/27/45/26/634274526.db2.gz JSCVAQJCZJJHOE-VIFPVBQESA-N 1 1 280.755 3.447 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1ccc(F)cc1O ZINC000834909541 634284551 /nfs/dbraw/zinc/28/45/51/634284551.db2.gz LNPTVOMKRQVBSC-RYUDHWBXSA-N 1 1 281.371 3.387 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000873268830 634311905 /nfs/dbraw/zinc/31/19/05/634311905.db2.gz HWTYPRLQHKVPTF-IAQYHMDHSA-N 1 1 296.842 3.474 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000873271492 634313845 /nfs/dbraw/zinc/31/38/45/634313845.db2.gz HWTYPRLQHKVPTF-NHYWBVRUSA-N 1 1 296.842 3.474 20 10 CGCDMO CN(C)c1ccc(/C=C\C[NH2+]Cc2nccs2)cc1 ZINC000835034572 634326971 /nfs/dbraw/zinc/32/69/71/634326971.db2.gz BPRIFDUBCDVBCE-ARJAWSKDSA-N 1 1 273.405 3.012 20 10 CGCDMO CN(C)c1ccc(/C=C/C[NH2+]Cc2nccs2)cc1 ZINC000835034573 634327503 /nfs/dbraw/zinc/32/75/03/634327503.db2.gz BPRIFDUBCDVBCE-ONEGZZNKSA-N 1 1 273.405 3.012 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H]2C(C)(C)O)cc1 ZINC000835048211 634334657 /nfs/dbraw/zinc/33/46/57/634334657.db2.gz NUGVKHCNGVWUIQ-QQOXCAACSA-N 1 1 288.435 3.001 20 10 CGCDMO CSCCC[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835050415 634336144 /nfs/dbraw/zinc/33/61/44/634336144.db2.gz AXCXNMGJWZMXDJ-ALCCZGGFSA-N 1 1 278.465 3.451 20 10 CGCDMO CS[C@@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835053910 634337985 /nfs/dbraw/zinc/33/79/85/634337985.db2.gz FWZMIZYOIKEIDV-DWTRPJMMSA-N 1 1 276.449 3.203 20 10 CGCDMO CO[C@@H]1CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000835053792 634337998 /nfs/dbraw/zinc/33/79/98/634337998.db2.gz YLHBRDDUBJKVHJ-CPHMMYSSSA-N 1 1 288.435 3.265 20 10 CGCDMO COc1c(O)c(C[NH2+][C@@H](C)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000835065465 634342860 /nfs/dbraw/zinc/34/28/60/634342860.db2.gz OJTXCKYTCVJZNQ-JTQLQIEISA-N 1 1 296.367 3.223 20 10 CGCDMO Cc1ccc(C[N@H+](C)[C@@H](CCO)c2ccccc2)c(O)c1 ZINC000876739914 634889576 /nfs/dbraw/zinc/88/95/76/634889576.db2.gz KRUPAHBZILCPPF-KRWDZBQOSA-N 1 1 285.387 3.256 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCS[C@H](C)[C@H]2C)c(O)c1 ZINC000876750137 634892852 /nfs/dbraw/zinc/89/28/52/634892852.db2.gz OGQQYQNWQKHIEW-VXGBXAGGSA-N 1 1 251.395 3.026 20 10 CGCDMO CO[C@@H](C)c1nc(C[NH2+]Cc2ccc(C)cc2O)cs1 ZINC000877074441 634972498 /nfs/dbraw/zinc/97/24/98/634972498.db2.gz KLMGXZQCWWFZNT-NSHDSACASA-N 1 1 292.404 3.154 20 10 CGCDMO CO[C@@](C)([C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1O)C1CC1 ZINC000840860579 635067416 /nfs/dbraw/zinc/06/74/16/635067416.db2.gz VXIRKCTVHAKDEB-UVWXRNBGSA-N 1 1 281.371 3.386 20 10 CGCDMO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2csnn2)c(O)c1C ZINC000840886534 635075815 /nfs/dbraw/zinc/07/58/15/635075815.db2.gz ZBSXCTWSDPEKSS-GHMZBOCLSA-N 1 1 277.393 3.272 20 10 CGCDMO CCO[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840907303 635080371 /nfs/dbraw/zinc/08/03/71/635080371.db2.gz CKLJZUOHUOWGJS-KRWDZBQOSA-N 1 1 276.424 3.062 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)[C@@H]2CCSC2)c(Cl)c1 ZINC000840911277 635081673 /nfs/dbraw/zinc/08/16/73/635081673.db2.gz ZWMBAQSILQQMAT-SNVBAGLBSA-N 1 1 271.813 3.291 20 10 CGCDMO Cc1cc(O)c(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000840917889 635082404 /nfs/dbraw/zinc/08/24/04/635082404.db2.gz UYYBOCHBBLOOFP-CHWSQXEVSA-N 1 1 296.842 3.269 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c(Cl)c1 ZINC000840937931 635085670 /nfs/dbraw/zinc/08/56/70/635085670.db2.gz AMHVWTCJYTZQAD-HAQNSBGRSA-N 1 1 283.799 3.089 20 10 CGCDMO Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)c(O)c1 ZINC000877552871 635086451 /nfs/dbraw/zinc/08/64/51/635086451.db2.gz HOZNOXFJNIHQNP-QGZVFWFLSA-N 1 1 287.403 3.092 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@]3(C2)CCCOC3)c(Cl)c1 ZINC000840943398 635088171 /nfs/dbraw/zinc/08/81/71/635088171.db2.gz QBDVWTZIEBZTRH-MRXNPFEDSA-N 1 1 295.810 3.357 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]2C2CC2)c(Cl)c1 ZINC000840950789 635091455 /nfs/dbraw/zinc/09/14/55/635091455.db2.gz NTZQIYQYXMLGAT-CYBMUJFWSA-N 1 1 251.757 3.338 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000840955587 635093302 /nfs/dbraw/zinc/09/33/02/635093302.db2.gz WGFCLRIMDNCCSY-HNNXBMFYSA-N 1 1 281.783 3.047 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000840955587 635093305 /nfs/dbraw/zinc/09/33/05/635093305.db2.gz WGFCLRIMDNCCSY-HNNXBMFYSA-N 1 1 281.783 3.047 20 10 CGCDMO C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000841029206 635108977 /nfs/dbraw/zinc/10/89/77/635108977.db2.gz LVFKIIKCHIYBEM-LLVKDONJSA-N 1 1 290.794 3.355 20 10 CGCDMO CC(C)N(C)c1ccc(C[N@@H+]2Cc3cccc(O)c3C2)cn1 ZINC000877703137 635155507 /nfs/dbraw/zinc/15/55/07/635155507.db2.gz SQUWAASFNNUHFY-UHFFFAOYSA-N 1 1 297.402 3.148 20 10 CGCDMO CC(C)N(C)c1ccc(C[N@H+]2Cc3cccc(O)c3C2)cn1 ZINC000877703137 635155510 /nfs/dbraw/zinc/15/55/10/635155510.db2.gz SQUWAASFNNUHFY-UHFFFAOYSA-N 1 1 297.402 3.148 20 10 CGCDMO C[C@H](Cc1cnccn1)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841748652 635223920 /nfs/dbraw/zinc/22/39/20/635223920.db2.gz XYIAAYIIDSGEBO-MNOVXSKESA-N 1 1 291.782 3.117 20 10 CGCDMO C[C@H]([NH2+]Cc1cscn1)c1ccc(Cl)cc1O ZINC000841746624 635224002 /nfs/dbraw/zinc/22/40/02/635224002.db2.gz JJNLOCYAGUHLLC-QMMMGPOBSA-N 1 1 268.769 3.353 20 10 CGCDMO C[C@@H]([NH2+]CC(C)(C)CCO)c1ccc(Cl)cc1O ZINC000841754001 635227264 /nfs/dbraw/zinc/22/72/64/635227264.db2.gz GYKZUGRAZDMTFR-SNVBAGLBSA-N 1 1 271.788 3.105 20 10 CGCDMO CCC1(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)COC1 ZINC000841753317 635227557 /nfs/dbraw/zinc/22/75/57/635227557.db2.gz GQFHEUHJESFNQE-JTQLQIEISA-N 1 1 269.772 3.123 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1ccc(Cl)cc1O ZINC000841755492 635229951 /nfs/dbraw/zinc/22/99/51/635229951.db2.gz QFPYAVZWLLBHOP-GVXVVHGQSA-N 1 1 283.799 3.247 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H]1C[C@@H](OC)C1 ZINC000878152803 635381400 /nfs/dbraw/zinc/38/14/00/635381400.db2.gz YSTIKQBNMKDSGC-OTVXOJSOSA-N 1 1 263.381 3.029 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+](C)C[C@](C)(O)c2ccccc2)c1 ZINC000842628535 635420907 /nfs/dbraw/zinc/42/09/07/635420907.db2.gz WXFKKEOKUMVBLB-IBGZPJMESA-N 1 1 299.414 3.349 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](c3cccnc3)C1)CCC2 ZINC000842623131 635421306 /nfs/dbraw/zinc/42/13/06/635421306.db2.gz UBEKTIFFZCTYKO-QGZVFWFLSA-N 1 1 294.398 3.265 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cc2n(n1)CCCC2 ZINC000842826131 635484408 /nfs/dbraw/zinc/48/44/08/635484408.db2.gz FQXCLYYMWZGKHO-CQSZACIVSA-N 1 1 298.434 3.136 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000843416956 635663128 /nfs/dbraw/zinc/66/31/28/635663128.db2.gz MMADHYDVZHUTMD-ZBFHGGJFSA-N 1 1 275.392 3.092 20 10 CGCDMO C[C@@H]1SCC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000843434933 635675448 /nfs/dbraw/zinc/67/54/48/635675448.db2.gz OJGLSAODHRPJQL-WRWORJQWSA-N 1 1 275.776 3.168 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(C)cc2O)[C@H](CC)CO1 ZINC000844722938 635957304 /nfs/dbraw/zinc/95/73/04/635957304.db2.gz JQWMSDQVIYINBI-HUUCEWRRSA-N 1 1 293.407 3.099 20 10 CGCDMO COc1ccc(O)c([C@H](C)NCCC[N@H+](C)CC(C)C)c1 ZINC000845997149 636127699 /nfs/dbraw/zinc/12/76/99/636127699.db2.gz VMMLXNCZSRVZSP-AWEZNQCLSA-N 1 1 294.439 3.029 20 10 CGCDMO COc1ccc(O)c([C@H](C)NCCC[N@@H+](C)CC(C)C)c1 ZINC000845997149 636127701 /nfs/dbraw/zinc/12/77/01/636127701.db2.gz VMMLXNCZSRVZSP-AWEZNQCLSA-N 1 1 294.439 3.029 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H](OC(C)C)C2)c(O)c1 ZINC000846016628 636129840 /nfs/dbraw/zinc/12/98/40/636129840.db2.gz WFJUHGUZBNYLPW-MRXNPFEDSA-N 1 1 293.407 3.180 20 10 CGCDMO CC[N@@H+](Cc1cc(Cl)cc(C)c1O)[C@H]1CCCOC1 ZINC000846051119 636138509 /nfs/dbraw/zinc/13/85/09/636138509.db2.gz BIQUGKNQISAFOK-AWEZNQCLSA-N 1 1 283.799 3.355 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c(Cl)c1 ZINC000846114331 636146111 /nfs/dbraw/zinc/14/61/11/636146111.db2.gz UIADVQWQIUUQCG-AOOOYVTPSA-N 1 1 273.710 3.051 20 10 CGCDMO Cc1ccsc1CC[NH2+]Cc1cc(F)cc(F)c1O ZINC000883083082 636534065 /nfs/dbraw/zinc/53/40/65/636534065.db2.gz ZIYYJNMJRYMCJJ-UHFFFAOYSA-N 1 1 283.343 3.373 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000883133646 636551357 /nfs/dbraw/zinc/55/13/57/636551357.db2.gz FKWISPAKVWMWBV-NSHDSACASA-N 1 1 297.345 3.109 20 10 CGCDMO COCC1(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)CC1 ZINC000848561017 636606613 /nfs/dbraw/zinc/60/66/13/636606613.db2.gz NVHOLISUAXNFFI-JTQLQIEISA-N 1 1 269.772 3.123 20 10 CGCDMO CO[C@H]1C[C@H](C[NH2+][C@H](C)c2ccc(Cl)cc2O)C1 ZINC000883273216 636644814 /nfs/dbraw/zinc/64/48/14/636644814.db2.gz GJPJMWJWDIWENQ-CKYFFXLPSA-N 1 1 269.772 3.121 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)c1O ZINC000848900105 636681298 /nfs/dbraw/zinc/68/12/98/636681298.db2.gz AYMCVLIUMPDRNO-BXUZGUMPSA-N 1 1 251.345 3.135 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000848925100 636697981 /nfs/dbraw/zinc/69/79/81/636697981.db2.gz NLQRTBCSKJCUPK-OAHLLOKOSA-N 1 1 279.355 3.065 20 10 CGCDMO CCOc1cccc(CNc2ccc(CC)c[nH+]2)c1O ZINC000883385214 636727723 /nfs/dbraw/zinc/72/77/23/636727723.db2.gz HKYQNBJTBIDOHN-UHFFFAOYSA-N 1 1 272.348 3.360 20 10 CGCDMO CCN(CC)c1ccc(C[NH2+]Cc2nc(C)c(C)[nH]2)cc1 ZINC000850034223 636930316 /nfs/dbraw/zinc/93/03/16/636930316.db2.gz ILFCPHUDLOIIEA-UHFFFAOYSA-N 1 1 286.423 3.163 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000850392853 637045209 /nfs/dbraw/zinc/04/52/09/637045209.db2.gz NBXGITADVBBDQI-NVLNSXGDSA-N 1 1 255.720 3.073 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(F)cc1O ZINC000850482622 637086240 /nfs/dbraw/zinc/08/62/40/637086240.db2.gz QFKOEFGGSNHSLN-AAEUAGOBSA-N 1 1 267.344 3.140 20 10 CGCDMO CC[C@@H]([NH2+]CC1CCC(O)CC1)c1ccc(F)cc1O ZINC000850550848 637117728 /nfs/dbraw/zinc/11/77/28/637117728.db2.gz CXCWQXXHFJQXHS-ABIUDSBCSA-N 1 1 281.371 3.123 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1ccc(F)cc1O ZINC000850552553 637118682 /nfs/dbraw/zinc/11/86/82/637118682.db2.gz NVRLWXRICPDCKO-PRHODGIISA-N 1 1 273.298 3.473 20 10 CGCDMO C[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1c(O)cccc1F ZINC000886512641 637547450 /nfs/dbraw/zinc/54/74/50/637547450.db2.gz JYDCSFKGNGSZMX-BMIGLBTASA-N 1 1 293.313 3.055 20 10 CGCDMO C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886536413 637562507 /nfs/dbraw/zinc/56/25/07/637562507.db2.gz HBJWSDVPLVJELG-RYUDHWBXSA-N 1 1 274.339 3.208 20 10 CGCDMO C[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)c1c(O)cccc1F ZINC000886536652 637562542 /nfs/dbraw/zinc/56/25/42/637562542.db2.gz MKXVZVBIIOWVLH-SGIREYDYSA-N 1 1 281.371 3.123 20 10 CGCDMO CSc1cc(C[NH2+][C@@H](C)c2c(O)cccc2F)ccn1 ZINC000886543578 637570293 /nfs/dbraw/zinc/57/02/93/637570293.db2.gz QTSYPAKSUZCZNB-JTQLQIEISA-N 1 1 292.379 3.499 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc2c(c1)COC2)c1c(O)cccc1F ZINC000886553901 637577222 /nfs/dbraw/zinc/57/72/22/637577222.db2.gz XTGINKYNGUGZGK-NSHDSACASA-N 1 1 287.334 3.412 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1c(O)cccc1F ZINC000886610483 637603893 /nfs/dbraw/zinc/60/38/93/637603893.db2.gz BYTQTGALUNTKGC-VXGBXAGGSA-N 1 1 287.334 3.358 20 10 CGCDMO Cc1ccc(C[NH2+][C@H](C)c2c(O)cccc2F)nc1C ZINC000886623482 637614809 /nfs/dbraw/zinc/61/48/09/637614809.db2.gz FFWDSZZXRIMOFP-GFCCVEGCSA-N 1 1 274.339 3.394 20 10 CGCDMO COC1([C@H](C)[NH2+][C@@H](C)c2c(O)cccc2F)CCC1 ZINC000886627055 637616903 /nfs/dbraw/zinc/61/69/03/637616903.db2.gz RPRLEVDQCJFSSC-QWRGUYRKSA-N 1 1 267.344 3.140 20 10 CGCDMO Cc1cnc(CC[NH2+][C@H](C)c2c(O)cccc2F)c(C)c1 ZINC000886633611 637619430 /nfs/dbraw/zinc/61/94/30/637619430.db2.gz ZIICIHDDWMXQNJ-CYBMUJFWSA-N 1 1 288.366 3.436 20 10 CGCDMO C[C@H]([NH2+]CC[C@H]1CCCS1)c1c(O)cccc1F ZINC000886646563 637626430 /nfs/dbraw/zinc/62/64/30/637626430.db2.gz MUBQIJYFCLPINQ-WDEREUQCSA-N 1 1 269.385 3.468 20 10 CGCDMO C[C@H]([NH2+]CC[C@@H]1CCSC1)c1c(O)cccc1F ZINC000886645110 637627288 /nfs/dbraw/zinc/62/72/88/637627288.db2.gz RJBGDYLZSYSOFP-WDEREUQCSA-N 1 1 269.385 3.325 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)c1c(O)cccc1F)[C@H]1CCCOC1 ZINC000886651972 637631276 /nfs/dbraw/zinc/63/12/76/637631276.db2.gz WEVLTKGXRCZGHF-OBJOEFQTSA-N 1 1 281.371 3.387 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)c1c(O)cccc1F)[C@@H]1CCCOC1 ZINC000886651973 637631851 /nfs/dbraw/zinc/63/18/51/637631851.db2.gz WEVLTKGXRCZGHF-SCRDCRAPSA-N 1 1 281.371 3.387 20 10 CGCDMO C[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1ccc(F)cc1O ZINC000886684500 637650278 /nfs/dbraw/zinc/65/02/78/637650278.db2.gz MPRMFGILZONHQA-SECBINFHSA-N 1 1 276.311 3.248 20 10 CGCDMO Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCO)ccc1N(C)C ZINC000852461405 637654269 /nfs/dbraw/zinc/65/42/69/637654269.db2.gz IQSASNBODIXUGB-RDTXWAMCSA-N 1 1 290.451 3.044 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC3(CCC3)OC[C@H]2C)cc1C ZINC000853543071 637865741 /nfs/dbraw/zinc/86/57/41/637865741.db2.gz ZPYUJIXVQIGXEG-CQSZACIVSA-N 1 1 275.392 3.152 20 10 CGCDMO CCCC[N@@H+](Cc1ccccc1O)Cc1nccnc1C ZINC000857044886 638440293 /nfs/dbraw/zinc/44/02/93/638440293.db2.gz SRSIWIDGPIVSRT-UHFFFAOYSA-N 1 1 285.391 3.293 20 10 CGCDMO Cc1ccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)cn1 ZINC000858099231 638626949 /nfs/dbraw/zinc/62/69/49/638626949.db2.gz VAMWYARLEFJKKM-UHFFFAOYSA-N 1 1 291.345 3.024 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000858138649 638640965 /nfs/dbraw/zinc/64/09/65/638640965.db2.gz GZRFCHCZXOGEFS-INIZCTEOSA-N 1 1 289.467 3.023 20 10 CGCDMO Cc1cc(N(C)C)ccc1CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858138649 638640969 /nfs/dbraw/zinc/64/09/69/638640969.db2.gz GZRFCHCZXOGEFS-INIZCTEOSA-N 1 1 289.467 3.023 20 10 CGCDMO Cc1cc(N(C)C)ccc1CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858138649 638640971 /nfs/dbraw/zinc/64/09/71/638640971.db2.gz GZRFCHCZXOGEFS-INIZCTEOSA-N 1 1 289.467 3.023 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1ccc(F)cc1O ZINC000926946636 638828264 /nfs/dbraw/zinc/82/82/64/638828264.db2.gz CHIFYZFTHSUILP-VHSKPIJISA-N 1 1 277.261 3.380 20 10 CGCDMO CC(C)[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1cnn(C)c1 ZINC000927066969 638837180 /nfs/dbraw/zinc/83/71/80/638837180.db2.gz PLUDLPCVKUXTMK-MEDUHNTESA-N 1 1 291.370 3.313 20 10 CGCDMO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1cnn(C)c1 ZINC000927071410 638838491 /nfs/dbraw/zinc/83/84/91/638838491.db2.gz SIWDGWUHOJZEPT-ZBEGNZNMSA-N 1 1 291.370 3.313 20 10 CGCDMO C[C@H]([NH2+]Cc1cccc2c1OCC2)c1c(O)cccc1F ZINC000927089348 638840273 /nfs/dbraw/zinc/84/02/73/638840273.db2.gz ADUYOQIAVCEFLJ-NSHDSACASA-N 1 1 287.334 3.317 20 10 CGCDMO CCC[N@@H+](Cc1[nH]c(C)nc1C)Cc1ccccc1O ZINC000929753143 638947169 /nfs/dbraw/zinc/94/71/69/638947169.db2.gz MJWNGWGMTSRXCS-UHFFFAOYSA-N 1 1 273.380 3.144 20 10 CGCDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCOC1 ZINC000047703677 640023901 /nfs/dbraw/zinc/02/39/01/640023901.db2.gz FRVNAYJBLGZRNF-KRWDZBQOSA-N 1 1 288.435 3.145 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)CCS1 ZINC000191659415 640325821 /nfs/dbraw/zinc/32/58/21/640325821.db2.gz HTARTDYWTIAYSW-GFCCVEGCSA-N 1 1 277.433 3.208 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2ccccc2O)c1 ZINC000091974613 640728375 /nfs/dbraw/zinc/72/83/75/640728375.db2.gz XYIBOLHKPIYRMJ-UHFFFAOYSA-N 1 1 287.359 3.129 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@@H](OCCC(C)C)C2)c1O ZINC000093476200 640772931 /nfs/dbraw/zinc/77/29/31/640772931.db2.gz QJGXZGQVRMXGOE-OAHLLOKOSA-N 1 1 293.407 3.038 20 10 CGCDMO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(C)ccc1O ZINC000093688121 640780044 /nfs/dbraw/zinc/78/00/44/640780044.db2.gz DPBRASALQDRHRQ-SFHVURJKSA-N 1 1 299.414 3.474 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCS[C@H](C(C)C)C2)c1 ZINC000093869291 640784156 /nfs/dbraw/zinc/78/41/56/640784156.db2.gz NIGDZPMLCQDJLA-HNNXBMFYSA-N 1 1 265.422 3.274 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCS[C@@H](C(C)C)C2)c1O ZINC000093869198 640784174 /nfs/dbraw/zinc/78/41/74/640784174.db2.gz KIEGPSJYLBEIFU-OAHLLOKOSA-N 1 1 295.448 3.364 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@@H](C)C[C@H]2C)c1O ZINC000250503299 640813675 /nfs/dbraw/zinc/81/36/75/640813675.db2.gz BBHFOQMIUFKIKP-CHWSQXEVSA-N 1 1 263.381 3.411 20 10 CGCDMO Oc1ccc(CNc2[nH+]ccc3c4c([nH]c32)CCC4)cc1O ZINC001159005454 806029924 /nfs/dbraw/zinc/02/99/24/806029924.db2.gz LLZZTBGSPGWGAX-UHFFFAOYSA-N 1 1 295.342 3.075 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)[C@H](C)C1 ZINC000305919625 799212963 /nfs/dbraw/zinc/21/29/63/799212963.db2.gz GWLMSQZFKRWJNH-GHMZBOCLSA-N 1 1 269.772 3.045 20 10 CGCDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(N)cc1 ZINC000311661879 799225735 /nfs/dbraw/zinc/22/57/35/799225735.db2.gz XFCPOPKBQQCYKW-GFCCVEGCSA-N 1 1 272.314 3.432 20 10 CGCDMO CC(C)[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCCO1 ZINC000381146706 799373529 /nfs/dbraw/zinc/37/35/29/799373529.db2.gz RORKTNLUNAFVLK-OAHLLOKOSA-N 1 1 283.799 3.293 20 10 CGCDMO Cc1cc(C[NH2+][C@H](C)c2ccc(F)cc2O)ccn1 ZINC000391111316 799477027 /nfs/dbraw/zinc/47/70/27/799477027.db2.gz CFNLDWFXJXBKNM-LLVKDONJSA-N 1 1 260.312 3.086 20 10 CGCDMO CCOc1cccc(C[NH2+][C@H]2CCCC2(F)F)c1O ZINC000398008627 799524647 /nfs/dbraw/zinc/52/46/47/799524647.db2.gz RNKUVTTTXPMZLG-LBPRGKRZSA-N 1 1 271.307 3.068 20 10 CGCDMO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1cc[nH+]c(N)n1 ZINC001163488877 806770109 /nfs/dbraw/zinc/77/01/09/806770109.db2.gz ZCUXFMDRRAGECA-HNNXBMFYSA-N 1 1 298.390 3.117 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@H](OC(C)C)C2)c1O ZINC000692113492 799791485 /nfs/dbraw/zinc/79/14/85/799791485.db2.gz DDYSTOYRGVLNBH-INIZCTEOSA-N 1 1 277.408 3.344 20 10 CGCDMO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC000700818080 799879632 /nfs/dbraw/zinc/87/96/32/799879632.db2.gz JJJNAWABHYASGL-LSDHHAIUSA-N 1 1 276.424 3.083 20 10 CGCDMO CS[C@H]1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708466984 799989062 /nfs/dbraw/zinc/98/90/62/799989062.db2.gz WWFDGIXHPUWXRI-MNOVXSKESA-N 1 1 273.348 3.044 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C[C@H]1C ZINC000708424650 799989087 /nfs/dbraw/zinc/98/90/87/799989087.db2.gz ZBLQKABDBNZXQY-VHSXEESVSA-N 1 1 255.308 3.148 20 10 CGCDMO C[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C[C@H]1C ZINC000708424650 799989091 /nfs/dbraw/zinc/98/90/91/799989091.db2.gz ZBLQKABDBNZXQY-VHSXEESVSA-N 1 1 255.308 3.148 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C[C@H]1C ZINC000708424650 799989094 /nfs/dbraw/zinc/98/90/94/799989094.db2.gz ZBLQKABDBNZXQY-VHSXEESVSA-N 1 1 255.308 3.148 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)c1O ZINC000708615805 799991434 /nfs/dbraw/zinc/99/14/34/799991434.db2.gz ANCCGXBABROMSJ-CYBMUJFWSA-N 1 1 289.297 3.175 20 10 CGCDMO C[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708548461 799992844 /nfs/dbraw/zinc/99/28/44/799992844.db2.gz FUTLILOKGBVNJR-SKDRFNHKSA-N 1 1 255.308 3.339 20 10 CGCDMO C[N@H+](C[C@H]1CC(C)(C)OC1(C)C)c1ccc(N)cc1 ZINC000709703428 800014173 /nfs/dbraw/zinc/01/41/73/800014173.db2.gz UAZLEETWYLDYNV-GFCCVEGCSA-N 1 1 262.397 3.299 20 10 CGCDMO C[N@@H+](C[C@H]1CC(C)(C)OC1(C)C)c1ccc(N)cc1 ZINC000709703428 800014180 /nfs/dbraw/zinc/01/41/80/800014180.db2.gz UAZLEETWYLDYNV-GFCCVEGCSA-N 1 1 262.397 3.299 20 10 CGCDMO OCC1([NH2+]Cc2cccc(F)c2O)CCCCCCC1 ZINC000713497977 800112387 /nfs/dbraw/zinc/11/23/87/800112387.db2.gz YICWHFJMAWFZIS-UHFFFAOYSA-N 1 1 281.371 3.096 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)c1ccc(F)cc1O ZINC000722337583 800315768 /nfs/dbraw/zinc/31/57/68/800315768.db2.gz NINYMTXAOXKBKC-NKFCBESUSA-N 1 1 279.355 3.140 20 10 CGCDMO C[C@@H]([NH2+][C@@H](CCO)C1CCCC1)c1ccc(F)cc1O ZINC000725086473 800372068 /nfs/dbraw/zinc/37/20/68/800372068.db2.gz SEPYGQQOYMBZLE-ABAIWWIYSA-N 1 1 281.371 3.123 20 10 CGCDMO CC[N@@H+](Cc1nc2ccccn2c1C)Cc1ccccc1O ZINC001137274076 803706672 /nfs/dbraw/zinc/70/66/72/803706672.db2.gz FNGOACVRPYREAW-UHFFFAOYSA-N 1 1 295.386 3.370 20 10 CGCDMO COc1ccc2c(c1)C[N@@H+](Cc1c(O)cccc1F)CC2 ZINC001137832075 803777435 /nfs/dbraw/zinc/77/74/35/803777435.db2.gz ZVUXHRCTKMPLGJ-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO COc1ccc2c(c1)C[N@H+](Cc1c(O)cccc1F)CC2 ZINC001137832075 803777441 /nfs/dbraw/zinc/77/74/41/803777441.db2.gz ZVUXHRCTKMPLGJ-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2c(O)cccc2F)c1 ZINC001137837615 803780390 /nfs/dbraw/zinc/78/03/90/803780390.db2.gz NUORWULMMFMPDA-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO COc1cccc(C[N@H+](C)Cc2c(O)cccc2F)c1 ZINC001137837615 803780386 /nfs/dbraw/zinc/78/03/86/803780386.db2.gz NUORWULMMFMPDA-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO C[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)C[C@@H]1C ZINC001138122582 803862339 /nfs/dbraw/zinc/86/23/39/803862339.db2.gz ONJWDXDVPDNHMH-NEPJUHHUSA-N 1 1 251.345 3.399 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)C[C@@H]1C ZINC001138122582 803862348 /nfs/dbraw/zinc/86/23/48/803862348.db2.gz ONJWDXDVPDNHMH-NEPJUHHUSA-N 1 1 251.345 3.399 20 10 CGCDMO F[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]2C[C@@H]21 ZINC001138215594 803873824 /nfs/dbraw/zinc/87/38/24/803873824.db2.gz KOUWWOKVBLKZEN-SZMVWBNQSA-N 1 1 288.410 3.467 20 10 CGCDMO Cc1c(C[N@@H+]2CC[C@H](OC(C)C)C2)c2ccccc2n1C ZINC001138258715 803883424 /nfs/dbraw/zinc/88/34/24/803883424.db2.gz ZHAJLHXVYJKTKX-HNNXBMFYSA-N 1 1 286.419 3.486 20 10 CGCDMO CC(=O)[C@H]1CCC[N@H+](Cc2c(C)n(C)c3ccccc32)C1 ZINC001138258630 803884991 /nfs/dbraw/zinc/88/49/91/803884991.db2.gz XGCRMGOVVIFAOT-HNNXBMFYSA-N 1 1 284.403 3.288 20 10 CGCDMO CC[N@@H+](Cc1ccc2c(c1)CCCN2C)Cc1ccccn1 ZINC001138356355 803900572 /nfs/dbraw/zinc/90/05/72/803900572.db2.gz MBXNFXPPGLHMSS-UHFFFAOYSA-N 1 1 295.430 3.486 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@](C)(F)[C@H](F)C2)ccc1N(C)C ZINC001139669614 804245138 /nfs/dbraw/zinc/24/51/38/804245138.db2.gz DLUNKFJSEUKREA-CVEARBPZSA-N 1 1 282.378 3.333 20 10 CGCDMO Cc1cc(C[N@H+]2CCc3occc3C2)ccc1N(C)C ZINC001139674414 804248062 /nfs/dbraw/zinc/24/80/62/804248062.db2.gz YVLSDWNXLFUDMY-UHFFFAOYSA-N 1 1 270.376 3.212 20 10 CGCDMO Cc1nc2c(s1)C[N@@H+](Cc1c(C)ccc(C)c1O)CC2 ZINC001140182366 804396392 /nfs/dbraw/zinc/39/63/92/804396392.db2.gz QSGDKUVKTLMWDP-UHFFFAOYSA-N 1 1 288.416 3.332 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+](C)Cc2cccnc2)c1O ZINC001140181609 804396512 /nfs/dbraw/zinc/39/65/12/804396512.db2.gz XUJGKIRUDYLNBN-UHFFFAOYSA-N 1 1 256.349 3.036 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+](C)Cc2cccnc2C)c1O ZINC001140184904 804398032 /nfs/dbraw/zinc/39/80/32/804398032.db2.gz KKSOLNXBMVDJEN-UHFFFAOYSA-N 1 1 270.376 3.344 20 10 CGCDMO Cc1ccc(C)c(C[N@H+](C(C)C)C2CCN(C)CC2)c1O ZINC001140185545 804398619 /nfs/dbraw/zinc/39/86/19/804398619.db2.gz YADVSCQAKBHVTC-UHFFFAOYSA-N 1 1 290.451 3.314 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccncc1O ZINC001140277636 804407539 /nfs/dbraw/zinc/40/75/39/804407539.db2.gz IGLARWJRTPXWTG-UHFFFAOYSA-N 1 1 297.402 3.019 20 10 CGCDMO O=C1CC[N@@H+](Cc2c(O)cccc2Cl)[C@H]2CCCC[C@H]12 ZINC001140337909 804418352 /nfs/dbraw/zinc/41/83/52/804418352.db2.gz MHVBGUDKYYMHPE-FZMZJTMJSA-N 1 1 293.794 3.379 20 10 CGCDMO O=C1CC[N@H+](Cc2c(O)cccc2Cl)[C@H]2CCCC[C@H]12 ZINC001140337909 804418355 /nfs/dbraw/zinc/41/83/55/804418355.db2.gz MHVBGUDKYYMHPE-FZMZJTMJSA-N 1 1 293.794 3.379 20 10 CGCDMO C[N@@H+](C1CC1)C1CCN(Cc2c(O)cccc2Cl)CC1 ZINC001140342049 804419993 /nfs/dbraw/zinc/41/99/93/804419993.db2.gz QQBPOEWKKODFQL-UHFFFAOYSA-N 1 1 294.826 3.104 20 10 CGCDMO C[C@@]1(CF)CC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140463280 804442342 /nfs/dbraw/zinc/44/23/42/804442342.db2.gz YNTNTRCCYLDRGW-ZDUSSCGKSA-N 1 1 257.736 3.227 20 10 CGCDMO CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140466160 804443730 /nfs/dbraw/zinc/44/37/30/804443730.db2.gz ZJSXBDNFLNXERG-CYBMUJFWSA-N 1 1 269.772 3.045 20 10 CGCDMO Cc1cc(C[N@H+]2CCc3cccc(O)c3C2)cc(C)c1O ZINC001140659170 804486057 /nfs/dbraw/zinc/48/60/57/804486057.db2.gz QYCKLRWTTOXSKO-UHFFFAOYSA-N 1 1 283.371 3.273 20 10 CGCDMO C[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1Cl ZINC001140921356 804549516 /nfs/dbraw/zinc/54/95/16/804549516.db2.gz BXUHMNXNDLQWGN-LLVKDONJSA-N 1 1 252.789 3.390 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2C(C)(C)O)c(Cl)c1 ZINC001140925134 804551004 /nfs/dbraw/zinc/55/10/04/804551004.db2.gz OMBMOUAKKLFOER-HNNXBMFYSA-N 1 1 296.842 3.141 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c(O)c1 ZINC001140949464 804555371 /nfs/dbraw/zinc/55/53/71/804555371.db2.gz BOPILAXCKLYCND-KRWDZBQOSA-N 1 1 283.371 3.354 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)c(O)c1 ZINC001140948687 804555594 /nfs/dbraw/zinc/55/55/94/804555594.db2.gz VSAHRZPKCDXNCT-CABCVRRESA-N 1 1 273.376 3.034 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1ccc(C)cc1O ZINC001140957496 804557811 /nfs/dbraw/zinc/55/78/11/804557811.db2.gz BJNXBWDHNWDEKU-UHFFFAOYSA-N 1 1 271.360 3.428 20 10 CGCDMO CCCC[N@@H+](CC)Cc1ccc2c(c1)OCCN2C ZINC001141139508 804597351 /nfs/dbraw/zinc/59/73/51/804597351.db2.gz VVFRKPVMNPCZFD-UHFFFAOYSA-N 1 1 262.397 3.137 20 10 CGCDMO CC[N@@H+](Cc1cccs1)Cc1cc(O)ccc1O ZINC001141161533 804601575 /nfs/dbraw/zinc/60/15/75/804601575.db2.gz UIYNHAWOEKBNEE-UHFFFAOYSA-N 1 1 263.362 3.181 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH+]1CC(c2ccccc2)C1 ZINC001142527490 804733024 /nfs/dbraw/zinc/73/30/24/804733024.db2.gz WSBMBSRLBIOEGH-UHFFFAOYSA-N 1 1 275.298 3.270 20 10 CGCDMO CC(C)[N@@H+](CCCCCO)Cc1cc(F)c(F)cc1[O-] ZINC001142531403 804733209 /nfs/dbraw/zinc/73/32/09/804733209.db2.gz WLHSVPQAEYLKJX-UHFFFAOYSA-N 1 1 287.350 3.043 20 10 CGCDMO CC(C)[N@H+](CCCCCO)Cc1cc(F)c(F)cc1O ZINC001142531403 804733213 /nfs/dbraw/zinc/73/32/13/804733213.db2.gz WLHSVPQAEYLKJX-UHFFFAOYSA-N 1 1 287.350 3.043 20 10 CGCDMO CC(C)[N@@H+](CCCCCO)Cc1cc(F)c(F)cc1O ZINC001142531403 804733219 /nfs/dbraw/zinc/73/32/19/804733219.db2.gz WLHSVPQAEYLKJX-UHFFFAOYSA-N 1 1 287.350 3.043 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CCCC3(COC3)C2)c1O ZINC001143103696 804802461 /nfs/dbraw/zinc/80/24/61/804802461.db2.gz IYRPQDCFQUJCOR-UHFFFAOYSA-N 1 1 289.419 3.302 20 10 CGCDMO CC(C)(C)c1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1O ZINC001143104561 804802477 /nfs/dbraw/zinc/80/24/77/804802477.db2.gz VHOCUWBZWAIFLZ-OKILXGFUSA-N 1 1 275.392 3.053 20 10 CGCDMO CC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143111563 804803713 /nfs/dbraw/zinc/80/37/13/804803713.db2.gz CTSDIUPIGBQNTM-CQSZACIVSA-N 1 1 289.419 3.491 20 10 CGCDMO CCOC(=O)C[N@H+](CC)Cc1cccc(C(C)(C)C)c1O ZINC001143112363 804804295 /nfs/dbraw/zinc/80/42/95/804804295.db2.gz RCJNYFCLMPOQIT-UHFFFAOYSA-N 1 1 293.407 3.075 20 10 CGCDMO CCOC(=O)C[N@@H+](CC)Cc1cccc(C(C)(C)C)c1O ZINC001143112363 804804304 /nfs/dbraw/zinc/80/43/04/804804304.db2.gz RCJNYFCLMPOQIT-UHFFFAOYSA-N 1 1 293.407 3.075 20 10 CGCDMO CC[C@H](c1ccccc1)[N@@H+](C)Cc1c(O)cc(O)cc1O ZINC001144514550 804997908 /nfs/dbraw/zinc/99/79/08/804997908.db2.gz KHFCMPYMWSEJPJ-OAHLLOKOSA-N 1 1 287.359 3.387 20 10 CGCDMO Cc1cc(C[N@H+]2CCC3(CC3)C2)c(O)cc1Br ZINC001250120875 805427995 /nfs/dbraw/zinc/42/79/95/805427995.db2.gz SVARDRAWNGHQGP-UHFFFAOYSA-N 1 1 296.208 3.449 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@]3(CCCN(C)C3)C2)c1 ZINC001275311598 808928317 /nfs/dbraw/zinc/92/83/17/808928317.db2.gz 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/nfs/dbraw/zinc/56/79/43/819567943.db2.gz XVACNRZQWGAJIE-MFKMUULPSA-N 1 1 296.208 3.447 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H]3C[C@@H]32)c1 ZINC001236671752 819567952 /nfs/dbraw/zinc/56/79/52/819567952.db2.gz XVACNRZQWGAJIE-MFKMUULPSA-N 1 1 296.208 3.447 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC[C@H]3CCC[C@H]3C2)cc1OC ZINC001236750594 819590077 /nfs/dbraw/zinc/59/00/77/819590077.db2.gz TYFJZTHZUGCAIQ-OLZOCXBDSA-N 1 1 291.391 3.031 20 10 CGCDMO CCc1ccc(C[N@@H+](C2CCC2)C2CCOCC2)c(O)c1 ZINC001236787195 819595183 /nfs/dbraw/zinc/59/51/83/819595183.db2.gz HHVFYIFPIVARAV-UHFFFAOYSA-N 1 1 289.419 3.488 20 10 CGCDMO CCc1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c(O)c1 ZINC001236794248 819596613 /nfs/dbraw/zinc/59/66/13/819596613.db2.gz JZPZWVGQGPAFJZ-CQSZACIVSA-N 1 1 267.319 3.186 20 10 CGCDMO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(Cl)c(Cl)cc1O ZINC001236798108 819599087 /nfs/dbraw/zinc/59/90/87/819599087.db2.gz GSPICCIJOZJITJ-SCZZXKLOSA-N 1 1 290.190 3.044 20 10 CGCDMO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1cc(Cl)c(Cl)cc1O ZINC001236798108 819599089 /nfs/dbraw/zinc/59/90/89/819599089.db2.gz GSPICCIJOZJITJ-SCZZXKLOSA-N 1 1 290.190 3.044 20 10 CGCDMO COc1ccc(C[N@@H+]2CCC[C@@H](F)CC2)c(O)c1Cl ZINC001236802499 819599745 /nfs/dbraw/zinc/59/97/45/819599745.db2.gz QZUIDDMSLDVYQE-LLVKDONJSA-N 1 1 287.762 3.378 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@@H](F)CC2)c(O)c1Cl ZINC001236802499 819599749 /nfs/dbraw/zinc/59/97/49/819599749.db2.gz QZUIDDMSLDVYQE-LLVKDONJSA-N 1 1 287.762 3.378 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC3(CCC3)C2)c(Cl)c1 ZINC001236800604 819600480 /nfs/dbraw/zinc/60/04/80/819600480.db2.gz ALGRSINJOHSUEV-UHFFFAOYSA-N 1 1 281.783 3.430 20 10 CGCDMO COc1ccc(C[N@@H+]2CC[C@@](C)(CF)C2)c(O)c1Cl ZINC001236802531 819600825 /nfs/dbraw/zinc/60/08/25/819600825.db2.gz RZHNXKKLZCEOFQ-AWEZNQCLSA-N 1 1 287.762 3.236 20 10 CGCDMO COc1ccc(C[N@H+]2CC[C@@](C)(CF)C2)c(O)c1Cl ZINC001236802531 819600830 /nfs/dbraw/zinc/60/08/30/819600830.db2.gz RZHNXKKLZCEOFQ-AWEZNQCLSA-N 1 1 287.762 3.236 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CC3CCC2CC3)c(O)c1 ZINC001236810816 819603901 /nfs/dbraw/zinc/60/39/01/819603901.db2.gz JXFRCSOAEAUIKQ-UHFFFAOYSA-N 1 1 261.365 3.084 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)CC2CC(F)(F)C2)c(O)c1 ZINC001236811651 819604037 /nfs/dbraw/zinc/60/40/37/819604037.db2.gz UTTUUMYDZYQGPU-UHFFFAOYSA-N 1 1 285.334 3.186 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CC[C@@H](c3ccccn3)C2)c(O)c1 ZINC001236813407 819604598 /nfs/dbraw/zinc/60/45/98/819604598.db2.gz KELLATPBSWTORI-CQSZACIVSA-N 1 1 298.386 3.094 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc3ccccc3cc2O)CC[C@@H]1O ZINC001236826734 819609693 /nfs/dbraw/zinc/60/96/93/819609693.db2.gz MBDWBMOJZGLSBQ-DYVFJYSZSA-N 1 1 285.387 3.138 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2O)[C@@H](C)CO1 ZINC001236837613 819616975 /nfs/dbraw/zinc/61/69/75/819616975.db2.gz REBHQOMGQCIVKL-QWHCGFSZSA-N 1 1 271.360 3.155 20 10 CGCDMO CCN1CCC([N@@H+](C)Cc2cc3ccccc3cc2O)CC1 ZINC001236839090 819617027 /nfs/dbraw/zinc/61/70/27/819617027.db2.gz DQMMPIWTWGGJDE-UHFFFAOYSA-N 1 1 298.430 3.462 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@](C)(O)C2)c(O)c1 ZINC001237046928 819650772 /nfs/dbraw/zinc/65/07/72/819650772.db2.gz WWJAVZFNTFPOIP-CXAGYDPISA-N 1 1 277.408 3.108 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CC[C@@](C)(O)[C@@H](C)C2)c(O)c1 ZINC001237046746 819651203 /nfs/dbraw/zinc/65/12/03/819651203.db2.gz WTDNFSZASYNVLD-SUMWQHHRSA-N 1 1 277.408 3.108 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2C[C@@H](CO)CC[C@H]2C)c(O)c1 ZINC001237044418 819651234 /nfs/dbraw/zinc/65/12/34/819651234.db2.gz CSPWCAVZNIYEHS-KGLIPLIRSA-N 1 1 277.408 3.108 20 10 CGCDMO Cc1ncc(C[N@H+](C)Cc2ccc(C(C)C)cc2O)cn1 ZINC001237054618 819654666 /nfs/dbraw/zinc/65/46/66/819654666.db2.gz DGQJXHHFGMMHQA-UHFFFAOYSA-N 1 1 285.391 3.246 20 10 CGCDMO Oc1ccc(F)c(Cl)c1C[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001237123687 819672534 /nfs/dbraw/zinc/67/25/34/819672534.db2.gz KNYIUUAGCGONJF-APPZFPTMSA-N 1 1 291.700 3.272 20 10 CGCDMO CCCO[C@H]1CC[N@@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237125019 819672600 /nfs/dbraw/zinc/67/26/00/819672600.db2.gz QLKFJXZGQWPMQO-JTQLQIEISA-N 1 1 287.762 3.186 20 10 CGCDMO Oc1ccc(F)c(Cl)c1C[N@H+]1CCC[C@@H](CF)C1 ZINC001237126387 819673649 /nfs/dbraw/zinc/67/36/49/819673649.db2.gz JVVLKMSVULBPFD-VIFPVBQESA-N 1 1 275.726 3.366 20 10 CGCDMO Oc1c(F)cc(Cl)cc1CN1CC[NH2+]C2=CCCC[C@@H]21 ZINC001237228591 819707114 /nfs/dbraw/zinc/70/71/14/819707114.db2.gz KNTVOPZUQYYHBU-AWEZNQCLSA-N 1 1 296.773 3.026 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+]1CCCCC(F)(F)C1 ZINC001237482000 819760044 /nfs/dbraw/zinc/76/00/44/819760044.db2.gz IRQPFLSCSVJTNU-UHFFFAOYSA-N 1 1 255.308 3.322 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCCCC(F)(F)C1 ZINC001237482000 819760052 /nfs/dbraw/zinc/76/00/52/819760052.db2.gz IRQPFLSCSVJTNU-UHFFFAOYSA-N 1 1 255.308 3.322 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+](C)Cc1cccc2c1OCO2 ZINC001237496461 819764578 /nfs/dbraw/zinc/76/45/78/819764578.db2.gz YRZPPYQKLUYDKL-UHFFFAOYSA-N 1 1 285.343 3.061 20 10 CGCDMO CCC[N@@H+](Cc1cc(OC)cc(OC)c1O)[C@H](C)CC ZINC001237674923 819804507 /nfs/dbraw/zinc/80/45/07/819804507.db2.gz NHZAHQFCUVXFJF-GFCCVEGCSA-N 1 1 281.396 3.420 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2C)c(O)c(OC)c1 ZINC001237676542 819804921 /nfs/dbraw/zinc/80/49/21/819804921.db2.gz PQABHDJFJFGXCW-VXGBXAGGSA-N 1 1 279.380 3.030 20 10 CGCDMO Cc1cc(F)cc(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)c1O ZINC001238064792 819921006 /nfs/dbraw/zinc/92/10/06/819921006.db2.gz QNVKBGZZZZUYPZ-TZMCWYRMSA-N 1 1 273.298 3.112 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CC[C@@](C)(F)[C@H](F)C2)c1O ZINC001238064792 819921008 /nfs/dbraw/zinc/92/10/08/819921008.db2.gz QNVKBGZZZZUYPZ-TZMCWYRMSA-N 1 1 273.298 3.112 20 10 CGCDMO CC(C)CCn1cc(-c2[nH+]ccc3c2ccn3C)cn1 ZINC001240419125 821040610 /nfs/dbraw/zinc/04/06/10/821040610.db2.gz VXQOMSHQQBHDEA-UHFFFAOYSA-N 1 1 268.364 3.483 20 10 CGCDMO Cc1cc(N(C)C)[nH+]cc1-c1ccnc2c1ccn2C ZINC001241251432 821672772 /nfs/dbraw/zinc/67/27/72/821672772.db2.gz WAFDXGSNIMOUGB-UHFFFAOYSA-N 1 1 266.348 3.010 20 10 CGCDMO C[N@@H+]1CC=C(c2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001241327463 821733963 /nfs/dbraw/zinc/73/39/63/821733963.db2.gz MJZUCURKOYXVOM-UHFFFAOYSA-N 1 1 268.404 3.104 20 10 CGCDMO Cn1ccc2c1cc[nH+]c2-c1cnc(N)cc1C(F)(F)F ZINC001241678227 822061625 /nfs/dbraw/zinc/06/16/25/822061625.db2.gz DUMLRFFLQRHODQ-UHFFFAOYSA-N 1 1 292.264 3.236 20 10 CGCDMO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001341567842 936442755 /nfs/dbraw/zinc/44/27/55/936442755.db2.gz OOBHPZBSWLLBNE-CRAIPNDOSA-N 1 1 288.435 3.022 20 10 CGCDMO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(N)cc1 ZINC001345159775 936804674 /nfs/dbraw/zinc/80/46/74/936804674.db2.gz LDBGUTZVILXSJB-SFHVURJKSA-N 1 1 284.403 3.042 20 10 CGCDMO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2O)C1 ZINC001325314355 928244219 /nfs/dbraw/zinc/24/42/19/928244219.db2.gz WPIKSCBDICKTID-ZMLRMANQSA-N 1 1 269.772 3.264 20 10 CGCDMO CC[C@@H]([NH2+]Cc1c(O)cccc1F)[C@H]1CC1(C)C ZINC001462595591 928793090 /nfs/dbraw/zinc/79/30/90/928793090.db2.gz VTUQEDHSTIOFBG-DGCLKSJQSA-N 1 1 251.345 3.446 20 10 CGCDMO C[C@H]([NH2+]Cc1cocn1)c1ccc2ccccc2c1O ZINC000397801958 928805304 /nfs/dbraw/zinc/80/53/04/928805304.db2.gz CBKFZBKBHRVGOC-NSHDSACASA-N 1 1 268.316 3.384 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCOCC12CCCC2 ZINC001461965111 937609378 /nfs/dbraw/zinc/60/93/78/937609378.db2.gz DUZHTTFHUAXBCJ-UHFFFAOYSA-N 1 1 281.783 3.191 20 10 CGCDMO COC[C@@H](C)C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001462205698 937625121 /nfs/dbraw/zinc/62/51/21/937625121.db2.gz INFPIHILGDXTNY-HNNXBMFYSA-N 1 1 276.424 3.001 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)CC1(C)C ZINC001462254765 937628002 /nfs/dbraw/zinc/62/80/02/937628002.db2.gz JLJCKFVGXZBXOA-CQSZACIVSA-N 1 1 283.799 3.293 20 10 CGCDMO Cc1ccc(CN2CC([N@@H+](C)Cc3ccccc3)C2)c(O)c1 ZINC001462322116 937632315 /nfs/dbraw/zinc/63/23/15/937632315.db2.gz PEXDPRPJJUIDPK-UHFFFAOYSA-N 1 1 296.414 3.017 20 10 CGCDMO Cc1ccc(C[NH+]2CC(N(C)Cc3ccccc3)C2)c(O)c1 ZINC001462322116 937632318 /nfs/dbraw/zinc/63/23/18/937632318.db2.gz PEXDPRPJJUIDPK-UHFFFAOYSA-N 1 1 296.414 3.017 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC001308600176 933139948 /nfs/dbraw/zinc/13/99/48/933139948.db2.gz XWGCIPHOYLWPIB-ZDUSSCGKSA-N 1 1 295.810 3.294 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)[C@H](C)C(C)C)c(O)c1 ZINC001308613883 933143487 /nfs/dbraw/zinc/14/34/87/933143487.db2.gz KWTWVMFHRZSSNF-GFCCVEGCSA-N 1 1 251.370 3.186 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC001308951778 933211151 /nfs/dbraw/zinc/21/11/51/933211151.db2.gz FLWJVTHVNSXHQE-LBPRGKRZSA-N 1 1 297.345 3.252 20 10 CGCDMO CC(C)(C[NH2+]Cc1cc(F)c(F)cc1O)C1CC1 ZINC001308958367 933212671 /nfs/dbraw/zinc/21/26/71/933212671.db2.gz KYNGFEYZJJISHL-UHFFFAOYSA-N 1 1 255.308 3.196 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CC(C)(C)O1 ZINC001319706065 933919056 /nfs/dbraw/zinc/91/90/56/933919056.db2.gz TWXWBAICIHAVGN-OAHLLOKOSA-N 1 1 288.435 3.286 20 10 CGCDMO C[NH2+][C@H](C)CCN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC001325743625 934925947 /nfs/dbraw/zinc/92/59/47/934925947.db2.gz PYTXECJKWXIACF-CVEARBPZSA-N 1 1 289.467 3.326 20 10 CGCDMO CCCO[C@@H]1CCC[N@@H+](Cc2ccc(N)cc2)CC1 ZINC001335286398 936137456 /nfs/dbraw/zinc/13/74/56/936137456.db2.gz YPBRHRUUHHXLQV-MRXNPFEDSA-N 1 1 262.397 3.050 20 10 CGCDMO CCn1ccc(C[N@@H+](C)Cc2c(C)cc(OC)cc2O)c1 ZINC001474443285 937859851 /nfs/dbraw/zinc/85/98/51/937859851.db2.gz XSXGIEQACYGYJK-UHFFFAOYSA-N 1 1 288.391 3.163 20 10 CGCDMO CC[C@@]1(C)C[N@@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC001474448884 937860376 /nfs/dbraw/zinc/86/03/76/937860376.db2.gz NMEKDOMLRSLLOT-KRWDZBQOSA-N 1 1 276.424 3.062 20 10 CGCDMO COCC1=CC[N@@H+](Cc2cc(C(C)C)ccc2O)CC1 ZINC001474466917 937861609 /nfs/dbraw/zinc/86/16/09/937861609.db2.gz OCMHMICBSALOER-UHFFFAOYSA-N 1 1 275.392 3.294 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC001474707516 937876108 /nfs/dbraw/zinc/87/61/08/937876108.db2.gz YPGWNCXVWXYBRF-CLYYMRHHSA-N 1 1 299.386 3.434 20 10 CGCDMO CCC1(CC)[C@@H]([NH2+]Cc2c(O)cccc2F)C[C@@H]1OC ZINC001474716231 937876868 /nfs/dbraw/zinc/87/68/68/937876868.db2.gz FYZWBKIDTXVCMO-GJZGRUSLSA-N 1 1 281.371 3.215 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+][C@H]1CCOC12CCCCC2 ZINC001474730184 937877338 /nfs/dbraw/zinc/87/73/38/937877338.db2.gz PPVYGIOPENSJQA-HNNXBMFYSA-N 1 1 297.345 3.252 20 10 CGCDMO Cn1c(-c2ccccc2)cnc1SC[C@@H]1CCC[N@H+]1C ZINC001559341967 938225434 /nfs/dbraw/zinc/22/54/34/938225434.db2.gz JNSIROLEMQZRET-AWEZNQCLSA-N 1 1 287.432 3.273 20 10 CGCDMO Cc1cccc(NCc2c(O)cccc2Br)[nH+]1 ZINC001560278741 938250783 /nfs/dbraw/zinc/25/07/83/938250783.db2.gz XRVSFCPKRCGAES-UHFFFAOYSA-N 1 1 293.164 3.470 20 10 CGCDMO CCc1cccc(C[N@H+]2CCN(C)c3ccccc3C2)c1O ZINC001560688527 938270432 /nfs/dbraw/zinc/27/04/32/938270432.db2.gz KDDAJNWKNXBKEI-UHFFFAOYSA-N 1 1 296.414 3.407 20 10 CGCDMO C[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092874799 345860745 /nfs/dbraw/zinc/86/07/45/345860745.db2.gz URMXDUFBTRNPFG-QAPCUYQASA-N 1 1 288.435 3.144 20 10 CGCDMO COc1ccsc1C[N@@H+](C)Cc1ccccc1O ZINC000091956615 345826439 /nfs/dbraw/zinc/82/64/39/345826439.db2.gz HIMAMCNLHMFQRM-UHFFFAOYSA-N 1 1 263.362 3.094 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000092072383 345830189 /nfs/dbraw/zinc/83/01/89/345830189.db2.gz BMKSKCIMTDKTEQ-NSHDSACASA-N 1 1 291.782 3.148 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCc2cccc(F)c2C1 ZINC000271347340 346411524 /nfs/dbraw/zinc/41/15/24/346411524.db2.gz KNLNMPNTBVQXDR-UHFFFAOYSA-N 1 1 257.308 3.090 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)cc1C ZINC000293985997 346431962 /nfs/dbraw/zinc/43/19/62/346431962.db2.gz LIPQXFNDFCCRHO-GOSISDBHSA-N 1 1 291.435 3.240 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1ccc(F)cc1O ZINC000278447614 299317938 /nfs/dbraw/zinc/31/79/38/299317938.db2.gz LDZCGPPVSLPZDR-SWLSCSKDSA-N 1 1 292.398 3.199 20 10 CGCDMO CCOC[C@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000113922578 370487573 /nfs/dbraw/zinc/48/75/73/370487573.db2.gz MIOJTKCAMIEBKK-HNNXBMFYSA-N 1 1 277.408 3.258 20 10 CGCDMO COc1cccc(C[N@H+]2CCC=C(c3ccncc3)C2)c1O ZINC000289195631 371752127 /nfs/dbraw/zinc/75/21/27/371752127.db2.gz BBAZXZCQOKPXLE-UHFFFAOYSA-N 1 1 296.370 3.085 20 10 CGCDMO COC1(CC[NH2+][C@H](C)c2ccc(F)cc2O)CCC1 ZINC000293747536 372468271 /nfs/dbraw/zinc/46/82/71/372468271.db2.gz PYDCMRZGGCQAMO-LLVKDONJSA-N 1 1 267.344 3.141 20 10 CGCDMO CC1(C)C[N@@H+](Cc2ccccc2O)[C@@H]1c1ccncc1 ZINC000293970638 372541057 /nfs/dbraw/zinc/54/10/57/372541057.db2.gz QOPNTDLXYQHIJN-MRXNPFEDSA-N 1 1 268.360 3.370 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000294745504 372669721 /nfs/dbraw/zinc/66/97/21/372669721.db2.gz RBJIMLVPYSYPCG-UKRRQHHQSA-N 1 1 299.773 3.328 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000294745504 372669727 /nfs/dbraw/zinc/66/97/27/372669727.db2.gz RBJIMLVPYSYPCG-UKRRQHHQSA-N 1 1 299.773 3.328 20 10 CGCDMO CS[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000295099674 372692142 /nfs/dbraw/zinc/69/21/42/372692142.db2.gz SOBGAQAXVFWGLN-ZDUSSCGKSA-N 1 1 273.401 3.483 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000179954508 373946645 /nfs/dbraw/zinc/94/66/45/373946645.db2.gz KIPXGHWYXXFGMT-OAHLLOKOSA-N 1 1 261.365 3.165 20 10 CGCDMO COCCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000192592654 375768219 /nfs/dbraw/zinc/76/82/19/375768219.db2.gz XKYKOPTXZNAKRL-QMMMGPOBSA-N 1 1 278.179 3.386 20 10 CGCDMO CCN(CC)c1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)cc1 ZINC000268832806 378125665 /nfs/dbraw/zinc/12/56/65/378125665.db2.gz KXKBWTKZXDBWAH-KRWDZBQOSA-N 1 1 298.434 3.423 20 10 CGCDMO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000269795163 378267851 /nfs/dbraw/zinc/26/78/51/378267851.db2.gz BFMBOQOFVDHSKY-ZFWWWQNUSA-N 1 1 285.387 3.281 20 10 CGCDMO C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCOC1 ZINC000271158064 378464798 /nfs/dbraw/zinc/46/47/98/378464798.db2.gz ISBXVZRUENDPKT-KRWDZBQOSA-N 1 1 283.371 3.280 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)CCCOC(C)C)c1O ZINC000271186680 378476870 /nfs/dbraw/zinc/47/68/70/378476870.db2.gz JTRZAKHKASWHCM-UHFFFAOYSA-N 1 1 281.396 3.038 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](CCCn2ccnc2)C2CC2)cc1 ZINC000271885489 378510682 /nfs/dbraw/zinc/51/06/82/378510682.db2.gz CXPIXQAFXDPQPV-UHFFFAOYSA-N 1 1 298.434 3.004 20 10 CGCDMO C[C@@H]([NH2+]CC1(CCO)CCCC1)c1ccc(F)cc1O ZINC000273362129 378742216 /nfs/dbraw/zinc/74/22/16/378742216.db2.gz ASOPMUTWCXTVDP-GFCCVEGCSA-N 1 1 281.371 3.125 20 10 CGCDMO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2O)n[nH]1 ZINC000273354494 378742349 /nfs/dbraw/zinc/74/23/49/378742349.db2.gz CJILGRNWOCHUDT-SMDDNHRTSA-N 1 1 287.407 3.322 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2C2CC2)c1O ZINC000371859770 379179526 /nfs/dbraw/zinc/17/95/26/379179526.db2.gz YDPQFDSTXWYCDH-OAHLLOKOSA-N 1 1 277.339 3.108 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)c1 ZINC000281265804 379826361 /nfs/dbraw/zinc/82/63/61/379826361.db2.gz NMLWFBQBRYONOF-MRXNPFEDSA-N 1 1 285.391 3.161 20 10 CGCDMO CCc1cc(NCc2c(C)c3ccccc3n2C)nc(C)[nH+]1 ZINC000359842473 542581889 /nfs/dbraw/zinc/58/18/89/542581889.db2.gz LHAGWWBFKHUZIJ-UHFFFAOYSA-N 1 1 294.402 3.182 20 10 CGCDMO C[N@H+](Cc1cc[nH]n1)Cc1ccc(N2CCCCC2)cc1 ZINC000155243800 261100071 /nfs/dbraw/zinc/10/00/71/261100071.db2.gz IXXFZZDDAOWYQR-UHFFFAOYSA-N 1 1 284.407 3.032 20 10 CGCDMO C[N@@H+](Cc1cc[nH]n1)Cc1ccc(N2CCCCC2)cc1 ZINC000155243800 261100072 /nfs/dbraw/zinc/10/00/72/261100072.db2.gz IXXFZZDDAOWYQR-UHFFFAOYSA-N 1 1 284.407 3.032 20 10 CGCDMO COc1cc(O)c(C[N@@H+]([C@H](C)C2CC2)C2CC2)cc1OC ZINC000159792781 261194014 /nfs/dbraw/zinc/19/40/14/261194014.db2.gz ZOOXLNFFIHNCRO-LLVKDONJSA-N 1 1 291.391 3.172 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2ccco2)c1 ZINC000162176801 261272928 /nfs/dbraw/zinc/27/29/28/261272928.db2.gz YGYIRFKOHHRFGA-UHFFFAOYSA-N 1 1 261.321 3.016 20 10 CGCDMO COCC[N@@H+](Cc1ccc(C)o1)Cc1cccc(C)c1O ZINC000180498273 261862794 /nfs/dbraw/zinc/86/27/94/261862794.db2.gz NWDKRUNJLKEULS-UHFFFAOYSA-N 1 1 289.375 3.251 20 10 CGCDMO C[C@H]([NH2+]CCCNc1ccccn1)c1ccc(F)cc1O ZINC000185659560 262064950 /nfs/dbraw/zinc/06/49/50/262064950.db2.gz MURZKTPZBLCFFW-LBPRGKRZSA-N 1 1 289.354 3.079 20 10 CGCDMO Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2O)n1 ZINC000367541887 267098612 /nfs/dbraw/zinc/09/86/12/267098612.db2.gz LJGQBAQRKYWNPG-INIZCTEOSA-N 1 1 297.402 3.172 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000375320199 267847709 /nfs/dbraw/zinc/84/77/09/267847709.db2.gz MUHUCIPWNLEIET-DZGCQCFKSA-N 1 1 281.783 3.189 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC23CCOCC3)cc1 ZINC000375734164 267894957 /nfs/dbraw/zinc/89/49/57/267894957.db2.gz VUWLAEQBNMTPMH-UHFFFAOYSA-N 1 1 288.435 3.288 20 10 CGCDMO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000183512625 329248245 /nfs/dbraw/zinc/24/82/45/329248245.db2.gz DJFPOXGGTYNKEU-LLVKDONJSA-N 1 1 276.767 3.424 20 10 CGCDMO CCOc1ccc(C[NH+]2CC(OC(C)(C)CC)C2)c(O)c1 ZINC000529639414 333502878 /nfs/dbraw/zinc/50/28/78/333502878.db2.gz CTSZUWXOXXVRMD-UHFFFAOYSA-N 1 1 293.407 3.180 20 10 CGCDMO CC(C)COCCC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000062745207 519754122 /nfs/dbraw/zinc/75/41/22/519754122.db2.gz PBPWQDIMOGTRBY-GFCCVEGCSA-N 1 1 269.360 3.245 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)c1O ZINC000280454389 521340904 /nfs/dbraw/zinc/34/09/04/521340904.db2.gz LOEDBUWLIRJWTA-OAHLLOKOSA-N 1 1 293.407 3.038 20 10 CGCDMO CCOC1CC2(C1)CC[N@@H+](Cc1cc(C)ccc1O)C2 ZINC000289623709 521653663 /nfs/dbraw/zinc/65/36/63/521653663.db2.gz LQXOLXSDKCABHI-UHFFFAOYSA-N 1 1 275.392 3.092 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CCC1(F)F ZINC000289759933 524996943 /nfs/dbraw/zinc/99/69/43/524996943.db2.gz KPPXRVPJLPIUEG-GFCCVEGCSA-N 1 1 268.351 3.230 20 10 CGCDMO C[C@]1(CCCO)CCC[N@H+]1Cc1c(O)cccc1Cl ZINC000290540266 525241482 /nfs/dbraw/zinc/24/14/82/525241482.db2.gz RGLGWBRKJACPNU-OAHLLOKOSA-N 1 1 283.799 3.173 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@]2(C)CCCO)cc1C ZINC000290546825 525313660 /nfs/dbraw/zinc/31/36/60/525313660.db2.gz RNLMGWQYLXVYJR-QGZVFWFLSA-N 1 1 277.408 3.136 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCOC1)c1cc(Cl)c(Cl)cc1O ZINC000278336700 525484230 /nfs/dbraw/zinc/48/42/30/525484230.db2.gz XADDQEQNGAXICI-BDAKNGLRSA-N 1 1 290.190 3.386 20 10 CGCDMO COC[C@H]1CC[N@@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000739874432 572425880 /nfs/dbraw/zinc/42/58/80/572425880.db2.gz WUAULPCBDIDSNK-AWEZNQCLSA-N 1 1 277.408 3.292 20 10 CGCDMO C[N@H+](Cc1ccon1)Cc1c(O)ccc2ccccc21 ZINC000739879258 572426136 /nfs/dbraw/zinc/42/61/36/572426136.db2.gz JCGNGIGEQVAZIV-UHFFFAOYSA-N 1 1 268.316 3.165 20 10 CGCDMO C[N@@H+](Cc1ccon1)Cc1c(O)ccc2ccccc21 ZINC000739879258 572426137 /nfs/dbraw/zinc/42/61/37/572426137.db2.gz JCGNGIGEQVAZIV-UHFFFAOYSA-N 1 1 268.316 3.165 20 10 CGCDMO C[N@@H+](CCC1CC1)Cc1c(O)ccc2ccncc21 ZINC000746626175 572886283 /nfs/dbraw/zinc/88/62/83/572886283.db2.gz BJXVSFXXZQTCLV-UHFFFAOYSA-N 1 1 256.349 3.172 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H]2CCCOC2)cc1 ZINC000750791322 573180364 /nfs/dbraw/zinc/18/03/64/573180364.db2.gz NUMOFKWTWJJDEE-KRWDZBQOSA-N 1 1 276.424 3.144 20 10 CGCDMO COc1ccc(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)c(O)c1OC ZINC000891601401 618241098 /nfs/dbraw/zinc/24/10/98/618241098.db2.gz HIWDBYOAAYPQLG-GXTWGEPZSA-N 1 1 293.407 3.420 20 10 CGCDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1O)[C@H](C)C(C)C ZINC000891823131 618321164 /nfs/dbraw/zinc/32/11/64/618321164.db2.gz KMYNPAMRDARQSS-GFCCVEGCSA-N 1 1 281.396 3.276 20 10 CGCDMO CCC[N@@H+](Cc1ccc(OC)o1)Cc1ccccc1O ZINC000891853183 618342286 /nfs/dbraw/zinc/34/22/86/618342286.db2.gz DPCCTQUZRQXLHH-UHFFFAOYSA-N 1 1 275.348 3.406 20 10 CGCDMO C[N@H+](Cc1ccco1)Cc1cccc(Br)c1O ZINC000162163840 618741283 /nfs/dbraw/zinc/74/12/83/618741283.db2.gz FCHXYRQNBRIYQD-UHFFFAOYSA-N 1 1 296.164 3.380 20 10 CGCDMO C[N@@H+](Cc1ccco1)Cc1cccc(Br)c1O ZINC000162163840 618741285 /nfs/dbraw/zinc/74/12/85/618741285.db2.gz FCHXYRQNBRIYQD-UHFFFAOYSA-N 1 1 296.164 3.380 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2F)c1 ZINC000840875932 618748872 /nfs/dbraw/zinc/74/88/72/618748872.db2.gz LAHBUEIQGBIFOH-LERXQTSPSA-N 1 1 295.354 3.110 20 10 CGCDMO Cc1cccc(CC[NH2+][C@H](C)c2ccc(F)cc2O)n1 ZINC000279957370 618761105 /nfs/dbraw/zinc/76/11/05/618761105.db2.gz CDGICRTWZNEKOQ-GFCCVEGCSA-N 1 1 274.339 3.128 20 10 CGCDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccccc2O)C1 ZINC000179584698 618796279 /nfs/dbraw/zinc/79/62/79/618796279.db2.gz NHUOJDGWVPCWOP-UONOGXRCSA-N 1 1 265.422 3.498 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2C=CCC2)c1 ZINC000850359010 618862897 /nfs/dbraw/zinc/86/28/97/618862897.db2.gz RVVUGXOPPGRJEG-NSHDSACASA-N 1 1 282.181 3.271 20 10 CGCDMO Oc1ccccc1CNc1cc[nH+]cc1Br ZINC000162976781 619244013 /nfs/dbraw/zinc/24/40/13/619244013.db2.gz ODESERQVDLEWBY-UHFFFAOYSA-N 1 1 279.137 3.162 20 10 CGCDMO COc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2C)c(O)c1OC ZINC000894314599 619487192 /nfs/dbraw/zinc/48/71/92/619487192.db2.gz AFQOHJSUBCPKJJ-OCCSQVGLSA-N 1 1 293.407 3.420 20 10 CGCDMO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894600703 619583995 /nfs/dbraw/zinc/58/39/95/619583995.db2.gz KTRUIVLYUFTVMT-OIBJUYFYSA-N 1 1 295.251 3.443 20 10 CGCDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894600703 619583997 /nfs/dbraw/zinc/58/39/97/619583997.db2.gz KTRUIVLYUFTVMT-OIBJUYFYSA-N 1 1 295.251 3.443 20 10 CGCDMO CCCC[C@@H](COC)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185494510 625363370 /nfs/dbraw/zinc/36/33/70/625363370.db2.gz TYSLEJPGSADLLY-YPMHNXCESA-N 1 1 269.360 3.387 20 10 CGCDMO CCOC[C@H]1CCCC[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000894984165 619692525 /nfs/dbraw/zinc/69/25/25/619692525.db2.gz ISCCHTRFHFWZFA-OAHLLOKOSA-N 1 1 293.407 3.100 20 10 CGCDMO COc1cc(C)cc(C[NH2+][C@H](C)c2cscn2)c1O ZINC000895253439 619791930 /nfs/dbraw/zinc/79/19/30/619791930.db2.gz FSFDCGARFHTIGQ-SNVBAGLBSA-N 1 1 278.377 3.017 20 10 CGCDMO CCC1(CC)CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000147855072 619961507 /nfs/dbraw/zinc/96/15/07/619961507.db2.gz OGIKQWRVPCXOCH-UHFFFAOYSA-N 1 1 277.364 3.133 20 10 CGCDMO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2F)CCO1 ZINC000896644035 620040009 /nfs/dbraw/zinc/04/00/09/620040009.db2.gz VYXWKINQSSTYKN-NHYWBVRUSA-N 1 1 281.371 3.215 20 10 CGCDMO C[C@@H]([NH2+]Cc1c(O)cccc1F)C1CC(F)(F)C1 ZINC000896644853 620040685 /nfs/dbraw/zinc/04/06/85/620040685.db2.gz ZNFCYMHYLBPRCX-MRVPVSSYSA-N 1 1 259.271 3.055 20 10 CGCDMO C[C@@H]1Cc2cc(C[NH2+]Cc3c(O)cccc3F)ccc2O1 ZINC000896641823 620042187 /nfs/dbraw/zinc/04/21/87/620042187.db2.gz WBFWYEMHRSEEGH-LLVKDONJSA-N 1 1 287.334 3.145 20 10 CGCDMO CC(C)=CC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000072952784 625391863 /nfs/dbraw/zinc/39/18/63/625391863.db2.gz IBJKOMVWYPJVQN-INIZCTEOSA-N 1 1 275.392 3.339 20 10 CGCDMO COCc1cccc(C[N@@H+](C)Cc2ccccc2O)c1 ZINC000179236475 620373825 /nfs/dbraw/zinc/37/38/25/620373825.db2.gz PLXNZEDIOVOZMT-UHFFFAOYSA-N 1 1 271.360 3.171 20 10 CGCDMO C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1cncs1 ZINC000897930077 620450458 /nfs/dbraw/zinc/45/04/58/620450458.db2.gz IJNGVLNNZXSMBT-SECBINFHSA-N 1 1 297.374 3.338 20 10 CGCDMO CC(C)C[C@@H](C[NH3+])NCc1ccc(N2CCCCC2)cc1 ZINC000841039014 620516209 /nfs/dbraw/zinc/51/62/09/620516209.db2.gz XEUJGKCZZBMWIM-KRWDZBQOSA-N 1 1 289.467 3.140 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H](C)OC[C@H]2C)cc1C(C)C ZINC000249049610 620535450 /nfs/dbraw/zinc/53/54/50/620535450.db2.gz IOTYHAKAFMYRJL-ZIAGYGMSSA-N 1 1 277.408 3.433 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000898515899 620595382 /nfs/dbraw/zinc/59/53/82/620595382.db2.gz HKEQCUOIBPCOSM-KGLIPLIRSA-N 1 1 293.382 3.170 20 10 CGCDMO C[C@]12CSC[C@H]1C[N@@H+](Cc1cc3c(cc1O)CCC3)C2 ZINC000902674298 621394643 /nfs/dbraw/zinc/39/46/43/621394643.db2.gz QHWRFARJGCXCEN-WBVHZDCISA-N 1 1 289.444 3.066 20 10 CGCDMO CC[C@H]([NH2+]C[C@]1(OC)CCSC1)c1ccc(F)cc1O ZINC000903313966 621684888 /nfs/dbraw/zinc/68/48/88/621684888.db2.gz DSGJZEOFLSGZHC-DZGCQCFKSA-N 1 1 299.411 3.094 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCN1C)c1cc(Cl)c(Cl)cc1O ZINC000903316770 621687313 /nfs/dbraw/zinc/68/73/13/621687313.db2.gz HKUGTNOTMIRPFQ-RKDXNWHRSA-N 1 1 289.206 3.054 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@H](C)C(C)C)c1 ZINC000768267479 625532753 /nfs/dbraw/zinc/53/27/53/625532753.db2.gz ABIBQLHSOUNXQW-GFCCVEGCSA-N 1 1 251.370 3.267 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccnn2C)cc1C ZINC000905742618 622103822 /nfs/dbraw/zinc/10/38/22/622103822.db2.gz SKIDQJOQEPTJKJ-INIZCTEOSA-N 1 1 285.391 3.080 20 10 CGCDMO Cc1cc(C)c(O)c(C[NH+]2CCN(C3CCCC3)CC2)c1 ZINC000163923769 622806088 /nfs/dbraw/zinc/80/60/88/622806088.db2.gz DZRLWTYWZAJXPF-UHFFFAOYSA-N 1 1 288.435 3.069 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000164046574 622813583 /nfs/dbraw/zinc/81/35/83/622813583.db2.gz SCTLJKDWKYBFBW-CQSZACIVSA-N 1 1 275.392 3.010 20 10 CGCDMO COc1ccc2ccc(O)c(C[N@@H+](C)C3CC3)c2c1 ZINC000046477753 622974876 /nfs/dbraw/zinc/97/48/76/622974876.db2.gz KZXHYPIQAMCCCT-UHFFFAOYSA-N 1 1 257.333 3.148 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(N(C)C)cc1 ZINC000158180194 623011374 /nfs/dbraw/zinc/01/13/74/623011374.db2.gz LHADGTQBCDQMAF-QAPCUYQASA-N 1 1 289.467 3.135 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]2CN2CCCC2)cc1C ZINC000172484433 623251444 /nfs/dbraw/zinc/25/14/44/623251444.db2.gz QFHLNJDZZVOEEK-KRWDZBQOSA-N 1 1 288.435 3.069 20 10 CGCDMO Cc1cc(O)c(CN2CCC[C@H]2C[NH+]2CCCC2)cc1C ZINC000172484433 623251450 /nfs/dbraw/zinc/25/14/50/623251450.db2.gz QFHLNJDZZVOEEK-KRWDZBQOSA-N 1 1 288.435 3.069 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)o1 ZINC000155192931 624452134 /nfs/dbraw/zinc/45/21/34/624452134.db2.gz XOEUCFHOIKMESP-UHFFFAOYSA-N 1 1 258.365 3.286 20 10 CGCDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2ccccc2O)C1(C)C ZINC000179584890 624665984 /nfs/dbraw/zinc/66/59/84/624665984.db2.gz VYNSKRFNWRMCRQ-GOEBONIOSA-N 1 1 263.381 3.028 20 10 CGCDMO CCC[N@@H+](Cc1cn(C)nc1CC)Cc1ccccc1O ZINC000179929411 624699440 /nfs/dbraw/zinc/69/94/40/624699440.db2.gz CFVRFVCVWKZTKH-UHFFFAOYSA-N 1 1 287.407 3.100 20 10 CGCDMO Cc1ncsc1C[N@H+](C)Cc1cccc(C)c1O ZINC000180038438 624711373 /nfs/dbraw/zinc/71/13/73/624711373.db2.gz JBIUNVZOMOXCCP-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO C[C@@H]1C[C@H]([NH2+]CC(C)(C)CN(C)C)c2c1c(F)ccc2O ZINC000756340796 625876246 /nfs/dbraw/zinc/87/62/46/625876246.db2.gz JRCBRHDEXNVJHM-YPMHNXCESA-N 1 1 294.414 3.257 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CCO[C@H]1CC)c1ccc(F)cc1O ZINC000840821962 626353881 /nfs/dbraw/zinc/35/38/81/626353881.db2.gz QGAHROUGJQQOTM-GUTXKFCHSA-N 1 1 267.344 3.140 20 10 CGCDMO COC[C@@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)C(C)C ZINC000754382694 626570328 /nfs/dbraw/zinc/57/03/28/626570328.db2.gz FPJJTNGHHZTIBQ-CQSZACIVSA-N 1 1 299.798 3.009 20 10 CGCDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000754735858 626585340 /nfs/dbraw/zinc/58/53/40/626585340.db2.gz FOSCZYBKXPABHA-GXTWGEPZSA-N 1 1 263.381 3.330 20 10 CGCDMO CCC[C@@H](C)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000756340682 626693263 /nfs/dbraw/zinc/69/32/63/626693263.db2.gz LILBMFYLUVDCEL-GHMZBOCLSA-N 1 1 265.353 3.018 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC2CCCC2)c1 ZINC000756371892 626697719 /nfs/dbraw/zinc/69/77/19/626697719.db2.gz PDYWQYSIEWRWAT-LBPRGKRZSA-N 1 1 291.391 3.410 20 10 CGCDMO C[C@@H]1C[C@H]([NH2+]Cc2cscn2)c2c1c(F)ccc2O ZINC000756511701 626711105 /nfs/dbraw/zinc/71/11/05/626711105.db2.gz ZXWZIFUTDWPXJB-KCJUWKMLSA-N 1 1 278.352 3.326 20 10 CGCDMO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)c1ccncc1 ZINC000756636371 626722902 /nfs/dbraw/zinc/72/29/02/626722902.db2.gz XDBNYXZEVPHQRN-NEPJUHHUSA-N 1 1 274.339 3.381 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC2CCC2)c1 ZINC000756744215 626729521 /nfs/dbraw/zinc/72/95/21/626729521.db2.gz ZRYBMHGHMQUJID-NSHDSACASA-N 1 1 277.364 3.020 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]3COCC[C@H]32)cc1C ZINC000756880026 626739091 /nfs/dbraw/zinc/73/90/91/626739091.db2.gz DXYUYZLPXJVVIZ-GOEBONIOSA-N 1 1 275.392 3.010 20 10 CGCDMO COc1cc(C)nc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC000757086013 626753648 /nfs/dbraw/zinc/75/36/48/626753648.db2.gz DNISNZDLSILUQQ-UHFFFAOYSA-N 1 1 299.418 3.097 20 10 CGCDMO CCC(C)(C)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000760016206 626936414 /nfs/dbraw/zinc/93/64/14/626936414.db2.gz IPTNQCYBELAMJK-NSHDSACASA-N 1 1 279.380 3.266 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@H](C)C(C)(C)C2)c1O ZINC000761225006 627026980 /nfs/dbraw/zinc/02/69/80/627026980.db2.gz FCHWAXNZIQDZST-LBPRGKRZSA-N 1 1 263.381 3.269 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000761227079 627027169 /nfs/dbraw/zinc/02/71/69/627027169.db2.gz XLNKLLMBYIXFMX-GFCCVEGCSA-N 1 1 263.381 3.269 20 10 CGCDMO CCC[C@@H](C)[N@@H+](C)Cc1ccc(OCC)cc1O ZINC000768337767 627474310 /nfs/dbraw/zinc/47/43/10/627474310.db2.gz GLXMYEVEVDHLFU-GFCCVEGCSA-N 1 1 251.370 3.411 20 10 CGCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)CCCC3)CCCO1 ZINC000768449663 627480444 /nfs/dbraw/zinc/48/04/44/627480444.db2.gz XQRZNCSGMGTORG-UHFFFAOYSA-N 1 1 289.419 3.272 20 10 CGCDMO CCOc1cccc(C[N@@H+](CC2CC2)C(C)C)c1O ZINC000768674156 627492416 /nfs/dbraw/zinc/49/24/16/627492416.db2.gz MPLJUNVHLJCEMR-UHFFFAOYSA-N 1 1 263.381 3.411 20 10 CGCDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCCOCC1 ZINC000768889738 627506514 /nfs/dbraw/zinc/50/65/14/627506514.db2.gz QEPZGYIZWQNATC-UHFFFAOYSA-N 1 1 283.371 3.282 20 10 CGCDMO CC(C)C[C@@H]1COCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000769398848 627548466 /nfs/dbraw/zinc/54/84/66/627548466.db2.gz KHILEIKWUFEXNW-CQSZACIVSA-N 1 1 283.799 3.293 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC3(CCC3)C2)c(O)c1 ZINC000769445966 627552531 /nfs/dbraw/zinc/55/25/31/627552531.db2.gz IZJLONXSEAVITK-UHFFFAOYSA-N 1 1 261.365 3.167 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC(C)(C)OCC2(C)C)c1 ZINC000769446071 627552615 /nfs/dbraw/zinc/55/26/15/627552615.db2.gz LQQQQTSOUDBPOU-UHFFFAOYSA-N 1 1 293.407 3.180 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)Cc2cccc(C)n2)c(O)c1 ZINC000769481619 627558354 /nfs/dbraw/zinc/55/83/54/627558354.db2.gz WSMSDKRYEVYTCY-UHFFFAOYSA-N 1 1 286.375 3.126 20 10 CGCDMO CC1(C)[C@@H]2C[N@H+](Cc3cc(Br)ccc3O)C[C@@H]21 ZINC000769487194 627559388 /nfs/dbraw/zinc/55/93/88/627559388.db2.gz JPIAVQITDWNADW-TXEJJXNPSA-N 1 1 296.208 3.243 20 10 CGCDMO Oc1ccc(Br)cc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000769513817 627561553 /nfs/dbraw/zinc/56/15/53/627561553.db2.gz FEWSROMDVADLMR-LLVKDONJSA-N 1 1 296.208 3.387 20 10 CGCDMO C[C@H]([NH2+]CCN1CCC1)c1cc(Cl)c(Cl)cc1O ZINC000774269976 627970620 /nfs/dbraw/zinc/97/06/20/627970620.db2.gz MIIBUDAEYPTRIO-VIFPVBQESA-N 1 1 289.206 3.055 20 10 CGCDMO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000775643036 628118090 /nfs/dbraw/zinc/11/80/90/628118090.db2.gz RPWOIFPHFJNXDQ-RISCZKNCSA-N 1 1 283.799 3.353 20 10 CGCDMO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000775643036 628118093 /nfs/dbraw/zinc/11/80/93/628118093.db2.gz RPWOIFPHFJNXDQ-RISCZKNCSA-N 1 1 283.799 3.353 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCc3cccc(F)c3C2)c1 ZINC000775701256 628127279 /nfs/dbraw/zinc/12/72/79/628127279.db2.gz PULDDVUQOMYGQU-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)c1O ZINC000775724152 628129236 /nfs/dbraw/zinc/12/92/36/628129236.db2.gz KCPINZHHISDRCD-CQSZACIVSA-N 1 1 291.391 3.007 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)cc1 ZINC000777222415 628256808 /nfs/dbraw/zinc/25/68/08/628256808.db2.gz SCQICZZHITVPEK-SFHVURJKSA-N 1 1 288.435 3.144 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H]1CCO[C@@H](C)C1 ZINC000779002056 628382890 /nfs/dbraw/zinc/38/28/90/628382890.db2.gz JQILVDSTYLZBBT-GJZGRUSLSA-N 1 1 277.408 3.419 20 10 CGCDMO Oc1ccccc1C[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000779031921 628384464 /nfs/dbraw/zinc/38/44/64/628384464.db2.gz BVMJTQNLWOZXLT-UHFFFAOYSA-N 1 1 275.298 3.229 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000779031921 628384467 /nfs/dbraw/zinc/38/44/67/628384467.db2.gz BVMJTQNLWOZXLT-UHFFFAOYSA-N 1 1 275.298 3.229 20 10 CGCDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2cc(F)ccc2O)C1(C)C ZINC000779032541 628385023 /nfs/dbraw/zinc/38/50/23/628385023.db2.gz JVILBRPSSQGUIA-GOEBONIOSA-N 1 1 281.371 3.167 20 10 CGCDMO CC[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000780755461 628514689 /nfs/dbraw/zinc/51/46/89/628514689.db2.gz VJNIEXAUAFHHHX-FUHWJXTLSA-N 1 1 290.451 3.390 20 10 CGCDMO CO[C@H](C)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000782476218 628649366 /nfs/dbraw/zinc/64/93/66/628649366.db2.gz SRUIFCJWTBJVGA-CYBMUJFWSA-N 1 1 263.381 3.172 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)[C@H](C)[C@@H](C)O1 ZINC000783736973 628743708 /nfs/dbraw/zinc/74/37/08/628743708.db2.gz GTRPNNIQGPATMV-GMTAPVOTSA-N 1 1 269.772 3.043 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)[C@H](C)[C@@H](C)O1 ZINC000783736973 628743718 /nfs/dbraw/zinc/74/37/18/628743718.db2.gz GTRPNNIQGPATMV-GMTAPVOTSA-N 1 1 269.772 3.043 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)[C@H](C)[C@H](C)O1 ZINC000783736974 628743785 /nfs/dbraw/zinc/74/37/85/628743785.db2.gz GTRPNNIQGPATMV-MXWKQRLJSA-N 1 1 269.772 3.043 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)[C@H](C)[C@H](C)O1 ZINC000783736974 628743787 /nfs/dbraw/zinc/74/37/87/628743787.db2.gz GTRPNNIQGPATMV-MXWKQRLJSA-N 1 1 269.772 3.043 20 10 CGCDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000788269387 629043759 /nfs/dbraw/zinc/04/37/59/629043759.db2.gz MACHPQVMLMQHJR-GUYCJALGSA-N 1 1 283.371 3.014 20 10 CGCDMO CC[C@@H](CCO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788604584 629068334 /nfs/dbraw/zinc/06/83/34/629068334.db2.gz UNQHKIFHGCVUCH-ZJUUUORDSA-N 1 1 291.313 3.223 20 10 CGCDMO C[C@H]1CC[C@H](C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)O1 ZINC000789310333 629123124 /nfs/dbraw/zinc/12/31/24/629123124.db2.gz QQANSLVRCLYVTH-KBXCAEBGSA-N 1 1 288.435 3.285 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCSC(C)(C)CC2)c1 ZINC000789763467 629166830 /nfs/dbraw/zinc/16/68/30/629166830.db2.gz LGPKDGBCBSXLNB-UHFFFAOYSA-N 1 1 265.422 3.418 20 10 CGCDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000790934288 629242211 /nfs/dbraw/zinc/24/22/11/629242211.db2.gz JTRNMIXARRXQNA-DZGCQCFKSA-N 1 1 294.414 3.017 20 10 CGCDMO CCOC[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C(C)C ZINC000790990607 629247492 /nfs/dbraw/zinc/24/74/92/629247492.db2.gz HFOGODQCHOYRPG-LBPRGKRZSA-N 1 1 289.778 3.335 20 10 CGCDMO COC1(C[N@@H+](C)Cc2ccc(N(C)C)cc2)CCCC1 ZINC000792162477 629342911 /nfs/dbraw/zinc/34/29/11/629342911.db2.gz RRNJFVFTTWNSNS-UHFFFAOYSA-N 1 1 276.424 3.144 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCc3c(O)cccc3C2)c1 ZINC000862529832 629392173 /nfs/dbraw/zinc/39/21/73/629392173.db2.gz OVFIAROAZTUIHW-UHFFFAOYSA-N 1 1 299.370 3.055 20 10 CGCDMO CC(C)C1C[NH+](Cc2cccc(Br)c2O)C1 ZINC000793193195 629426932 /nfs/dbraw/zinc/42/69/32/629426932.db2.gz SDYVVJUOSVKNHF-UHFFFAOYSA-N 1 1 284.197 3.243 20 10 CGCDMO Cc1cccc(CC[NH2+]Cc2c(O)ccc(Cl)c2F)n1 ZINC000793202305 629427657 /nfs/dbraw/zinc/42/76/57/629427657.db2.gz GDPHPKBHMCXQEC-UHFFFAOYSA-N 1 1 294.757 3.220 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c1O ZINC000793214793 629429270 /nfs/dbraw/zinc/42/92/70/629429270.db2.gz RGJVOSSYDDCOBZ-NHYWBVRUSA-N 1 1 295.810 3.353 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1O ZINC000793232566 629433120 /nfs/dbraw/zinc/43/31/20/629433120.db2.gz YMWJDZHSDNMNBM-MWLCHTKSSA-N 1 1 289.297 3.174 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000793230686 629433132 /nfs/dbraw/zinc/43/31/32/629433132.db2.gz IAVXKYYEJZDNMP-KOLCDFICSA-N 1 1 289.297 3.174 20 10 CGCDMO Cc1ccncc1C[N@H+](C)Cc1cc(Cl)ccc1O ZINC000793338310 629444848 /nfs/dbraw/zinc/44/48/48/629444848.db2.gz UHCNJJWXIFBIAG-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCCC[C@@H]2CCO)cc1F ZINC000793607712 629489749 /nfs/dbraw/zinc/48/97/49/629489749.db2.gz CAFUIXYGHKOCMM-OAHLLOKOSA-N 1 1 294.414 3.019 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCCCC[C@H]2CCO)c1O ZINC000793610775 629490293 /nfs/dbraw/zinc/49/02/93/629490293.db2.gz YFLPYNYNBNNMJU-HNNXBMFYSA-N 1 1 297.826 3.481 20 10 CGCDMO C[C@H]1CSC[C@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000796482027 629788724 /nfs/dbraw/zinc/78/87/24/629788724.db2.gz JXOLVIYQZRHKIH-OIBJUYFYSA-N 1 1 275.776 3.026 20 10 CGCDMO CC[C@H]([NH2+]Cc1cscn1)c1ccc(F)cc1O ZINC000796736265 629823697 /nfs/dbraw/zinc/82/36/97/629823697.db2.gz CRNKPKHFEGBARK-LBPRGKRZSA-N 1 1 266.341 3.229 20 10 CGCDMO CC[C@H]([NH2+]CCN1CCC[C@@H]1C)c1ccc(F)cc1O ZINC000796785845 629834296 /nfs/dbraw/zinc/83/42/96/629834296.db2.gz ZLEWJDGMAYUFII-WFASDCNBSA-N 1 1 280.387 3.056 20 10 CGCDMO CC[C@@H]([NH2+][C@H](COC)C(C)C)c1ccc(F)cc1O ZINC000796789536 629835085 /nfs/dbraw/zinc/83/50/85/629835085.db2.gz VFKJXQOGAKPLBE-ZIAGYGMSSA-N 1 1 269.360 3.243 20 10 CGCDMO CC[C@@H]([NH2+]Cc1ccc(F)cn1)c1ccc(F)cc1O ZINC000796799435 629836310 /nfs/dbraw/zinc/83/63/10/629836310.db2.gz UIRIASIYXKPVEV-CQSZACIVSA-N 1 1 278.302 3.306 20 10 CGCDMO CC[C@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(F)cc1O ZINC000796793263 629836477 /nfs/dbraw/zinc/83/64/77/629836477.db2.gz REDXWLCEPZTOLT-DZGCQCFKSA-N 1 1 267.344 3.141 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000802658826 630403703 /nfs/dbraw/zinc/40/37/03/630403703.db2.gz RFXMXIDNIIZFRL-LBPRGKRZSA-N 1 1 293.313 3.359 20 10 CGCDMO COC[C@@H]1CC[N@H+]1Cc1cc(C(C)C)c(C)cc1O ZINC000840083995 630583828 /nfs/dbraw/zinc/58/38/28/630583828.db2.gz SQCPKPBJCCSCFC-AWEZNQCLSA-N 1 1 263.381 3.045 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@@H](F)C2)c(O)c(C(C)(C)C)c1 ZINC000840107828 630596804 /nfs/dbraw/zinc/59/68/04/630596804.db2.gz ZCIPPPKLAQLTFD-GFCCVEGCSA-N 1 1 281.371 3.242 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000809688229 630783489 /nfs/dbraw/zinc/78/34/89/630783489.db2.gz FHMJPNJOOABGBW-UHFFFAOYSA-N 1 1 285.343 3.283 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000809728770 630794086 /nfs/dbraw/zinc/79/40/86/630794086.db2.gz HKHDJHMVMXPSNA-HNNXBMFYSA-N 1 1 272.323 3.263 20 10 CGCDMO COc1cc(C[N@H+]2CCC(F)(F)[C@H](C)C2)c(O)cc1C ZINC000811778215 631119715 /nfs/dbraw/zinc/11/97/15/631119715.db2.gz BZSZNTRBSGBJAU-LLVKDONJSA-N 1 1 285.334 3.186 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c(O)c1 ZINC000876513052 634849999 /nfs/dbraw/zinc/84/99/99/634849999.db2.gz GOXWUNHJIYKNBP-OAHLLOKOSA-N 1 1 256.349 3.366 20 10 CGCDMO Cc1ccoc1C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000813882569 631476480 /nfs/dbraw/zinc/47/64/80/631476480.db2.gz CPERANXIGIWIQO-SECBINFHSA-N 1 1 267.275 3.423 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(O)c1 ZINC000814169323 631536445 /nfs/dbraw/zinc/53/64/45/631536445.db2.gz GRIUYCQTTJNSIB-CABCVRRESA-N 1 1 297.345 3.268 20 10 CGCDMO Cc1cc(C[N@H+]2CCCOC(C)(C)C2)ccc1N(C)C ZINC000815050837 631707492 /nfs/dbraw/zinc/70/74/92/631707492.db2.gz GJXBQJLWFUCUNJ-UHFFFAOYSA-N 1 1 276.424 3.062 20 10 CGCDMO Cc1cc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)ccc1N(C)C ZINC000815050643 631707985 /nfs/dbraw/zinc/70/79/85/631707985.db2.gz DKDKCNBTPMEGIM-UONOGXRCSA-N 1 1 278.465 3.387 20 10 CGCDMO Cc1cc(C[N@H+]2CCC3(CCC3)C2)ccc1N(C)C ZINC000815061419 631708782 /nfs/dbraw/zinc/70/87/82/631708782.db2.gz UMURUKQJGDBRRG-UHFFFAOYSA-N 1 1 258.409 3.437 20 10 CGCDMO CCc1noc(C)c1C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000815640639 631810334 /nfs/dbraw/zinc/81/03/34/631810334.db2.gz CIDRVHVRRRUEHX-QMMMGPOBSA-N 1 1 296.317 3.380 20 10 CGCDMO CCN1CC[N@@H+](Cc2ccc3ccccc3c2O)C[C@@H]1C ZINC000816506707 631998455 /nfs/dbraw/zinc/99/84/55/631998455.db2.gz KQDCFUFZTCWFNK-AWEZNQCLSA-N 1 1 284.403 3.071 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000816516745 632001635 /nfs/dbraw/zinc/00/16/35/632001635.db2.gz ORFQMTARLAOKPU-JTQLQIEISA-N 1 1 269.747 3.417 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000816516745 632001641 /nfs/dbraw/zinc/00/16/41/632001641.db2.gz ORFQMTARLAOKPU-JTQLQIEISA-N 1 1 269.747 3.417 20 10 CGCDMO [O-]c1c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc2ccccc21 ZINC000816536338 632005662 /nfs/dbraw/zinc/00/56/62/632005662.db2.gz SJUWZUBIGZVWNV-IRXDYDNUSA-N 1 1 296.414 3.262 20 10 CGCDMO [O-]c1c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc2ccccc21 ZINC000816536338 632005664 /nfs/dbraw/zinc/00/56/64/632005664.db2.gz SJUWZUBIGZVWNV-IRXDYDNUSA-N 1 1 296.414 3.262 20 10 CGCDMO COC(C)(C)C[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816554281 632010325 /nfs/dbraw/zinc/01/03/25/632010325.db2.gz UBBPOUAAZNGNPV-SECBINFHSA-N 1 1 289.778 3.478 20 10 CGCDMO CC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@@H]1CCCO1 ZINC000816559939 632013501 /nfs/dbraw/zinc/01/35/01/632013501.db2.gz ZTEKAAIYBAMIGA-JSGCOSHPSA-N 1 1 287.762 3.232 20 10 CGCDMO C[C@H]1C[C@@H](NCC2([NH3+])CCCCC2)c2c1c(F)ccc2O ZINC000817938373 632238929 /nfs/dbraw/zinc/23/89/29/632238929.db2.gz JOSBNNRYZREIDF-WCQYABFASA-N 1 1 292.398 3.331 20 10 CGCDMO C[C@H](NCC1([NH3+])CCCCCC1)c1cc(F)ccc1O ZINC000817943934 632242631 /nfs/dbraw/zinc/24/26/31/632242631.db2.gz SOULLRVTWWPEGK-LBPRGKRZSA-N 1 1 280.387 3.234 20 10 CGCDMO CC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817954087 632248971 /nfs/dbraw/zinc/24/89/71/632248971.db2.gz BKSQIUKDYXTVJX-SMDDNHRTSA-N 1 1 282.815 3.086 20 10 CGCDMO CCCC[C@H](C[NH3+])N[C@H](C)c1ccc(N(C)CC)cc1 ZINC000817962829 632259025 /nfs/dbraw/zinc/25/90/25/632259025.db2.gz LJGMYAHEBUVQOO-GDBMZVCRSA-N 1 1 277.456 3.311 20 10 CGCDMO C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc2ccccc2c1[O-] ZINC000817970802 632264594 /nfs/dbraw/zinc/26/45/94/632264594.db2.gz FKIUEDDLNNXRER-IPYPFGDCSA-N 1 1 284.403 3.337 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000817972454 632266662 /nfs/dbraw/zinc/26/66/62/632266662.db2.gz XTIOCMDDYRPBGG-LEWSCRJBSA-N 1 1 282.815 3.084 20 10 CGCDMO C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000817977233 632268724 /nfs/dbraw/zinc/26/87/24/632268724.db2.gz FICUFZMBSDZUML-OLZOCXBDSA-N 1 1 272.392 3.323 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCCCNC1)c1cc2c(cc1O)CCCC2 ZINC000817983904 632272895 /nfs/dbraw/zinc/27/28/95/632272895.db2.gz LCJIODJEOKTCJO-CJNGLKHVSA-N 1 1 288.435 3.064 20 10 CGCDMO Cc1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)o1 ZINC000866478970 633152064 /nfs/dbraw/zinc/15/20/64/633152064.db2.gz OKBBZJCGUQHDKS-VIFPVBQESA-N 1 1 267.275 3.423 20 10 CGCDMO C[C@@H]([NH2+]CC[C@@H](O)C1CCCC1)c1ccc(F)cc1O ZINC000866637818 633226422 /nfs/dbraw/zinc/22/64/22/633226422.db2.gz LPIAYFYWACJPBY-IAQYHMDHSA-N 1 1 281.371 3.123 20 10 CGCDMO C[C@@H]([NH2+]CC[C@H](O)C1CCCC1)c1ccc(F)cc1O ZINC000866637816 633226711 /nfs/dbraw/zinc/22/67/11/633226711.db2.gz LPIAYFYWACJPBY-ABAIWWIYSA-N 1 1 281.371 3.123 20 10 CGCDMO Cc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1O ZINC000824695714 633274742 /nfs/dbraw/zinc/27/47/42/633274742.db2.gz BKUGWDCMHZQVIK-ZACQAIPSSA-N 1 1 289.419 3.216 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCCOC(C)(C)C2)cc1Cl ZINC000824836190 633299433 /nfs/dbraw/zinc/29/94/33/633299433.db2.gz JOFFPOOLXUSIML-UHFFFAOYSA-N 1 1 283.799 3.355 20 10 CGCDMO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000825005403 633316737 /nfs/dbraw/zinc/31/67/37/633316737.db2.gz JTKZIMZRDBGSHF-CYBMUJFWSA-N 1 1 273.380 3.071 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@H](CO)CC(C)(C)C)c1 ZINC000825041003 633321140 /nfs/dbraw/zinc/32/11/40/633321140.db2.gz YDNSTEJWTUJUNG-AWEZNQCLSA-N 1 1 295.423 3.020 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000825134068 633331306 /nfs/dbraw/zinc/33/13/06/633331306.db2.gz ULJQRQYMEWSZSU-HNNXBMFYSA-N 1 1 299.773 3.187 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000825134068 633331313 /nfs/dbraw/zinc/33/13/13/633331313.db2.gz ULJQRQYMEWSZSU-HNNXBMFYSA-N 1 1 299.773 3.187 20 10 CGCDMO OCCC[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000825339079 633347103 /nfs/dbraw/zinc/34/71/03/633347103.db2.gz ZWVPPZPCHJRGLU-CQSZACIVSA-N 1 1 285.387 3.140 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](O)C23CCCC3)cc1Cl ZINC000826011814 633396547 /nfs/dbraw/zinc/39/65/47/633396547.db2.gz IXOZUJCVGVDTDI-HNNXBMFYSA-N 1 1 295.810 3.233 20 10 CGCDMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1ccc3ccccc3c1O)C2 ZINC000827017393 633448788 /nfs/dbraw/zinc/44/87/88/633448788.db2.gz BXOZJZINUQCVFV-KDURUIRLSA-N 1 1 297.398 3.404 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](CCF)C2)c1 ZINC000827271591 633477360 /nfs/dbraw/zinc/47/73/60/633477360.db2.gz RUMUSHPTURIGLK-CYBMUJFWSA-N 1 1 281.371 3.363 20 10 CGCDMO CCC(=O)CCC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000827441982 633491370 /nfs/dbraw/zinc/49/13/70/633491370.db2.gz IAUAZCBIZXXGME-UHFFFAOYSA-N 1 1 288.435 3.476 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC000827849131 633525582 /nfs/dbraw/zinc/52/55/82/633525582.db2.gz AJKYLUIPJBVNSW-HDICACEKSA-N 1 1 287.403 3.093 20 10 CGCDMO CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)c1ccccc1O ZINC000827978484 633544180 /nfs/dbraw/zinc/54/41/80/633544180.db2.gz VDLVLUKQUCCIRP-AWEZNQCLSA-N 1 1 292.423 3.082 20 10 CGCDMO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000872131834 634052523 /nfs/dbraw/zinc/05/25/23/634052523.db2.gz AHPXMJQKHBUEAW-WPRPVWTQSA-N 1 1 293.317 3.181 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H]3CSC[C@@H]3C1)CCC2 ZINC000872722112 634196297 /nfs/dbraw/zinc/19/62/97/634196297.db2.gz NRRWUJPOLHFDRJ-HOCLYGCPSA-N 1 1 289.444 3.066 20 10 CGCDMO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1ccc(F)cc1O ZINC000834894950 634271722 /nfs/dbraw/zinc/27/17/22/634271722.db2.gz NEFDFPHMKSCKSZ-OUJBWJOFSA-N 1 1 275.327 3.084 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)c1ccc(F)cc1O ZINC000834914485 634286664 /nfs/dbraw/zinc/28/66/64/634286664.db2.gz FUGURGVMLUHWRW-JKOKRWQUSA-N 1 1 267.344 3.140 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000835029077 634326280 /nfs/dbraw/zinc/32/62/80/634326280.db2.gz UUTXCOQQPMADEP-DKFQHHCZSA-N 1 1 288.435 3.267 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000835029093 634326335 /nfs/dbraw/zinc/32/63/35/634326335.db2.gz UUTXCOQQPMADEP-MJRGOJFPSA-N 1 1 288.435 3.267 20 10 CGCDMO CO[C@@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CC[C@@H]1C ZINC000835045142 634332281 /nfs/dbraw/zinc/33/22/81/634332281.db2.gz JQEQOYQVTNSJEI-HLJKATFASA-N 1 1 288.435 3.123 20 10 CGCDMO CO[C@@]1(C)CCC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835054520 634338222 /nfs/dbraw/zinc/33/82/22/634338222.db2.gz QRQMNCCZRHVFLF-YEODSOHDSA-N 1 1 288.435 3.267 20 10 CGCDMO CC(C)[N@@H+](C/C=C/c1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000835056661 634340310 /nfs/dbraw/zinc/34/03/10/634340310.db2.gz WNXAXMVEZKHLJW-QWNKOJSDSA-N 1 1 288.435 3.265 20 10 CGCDMO CCCCN1CCC([NH2+]Cc2ccc(C)cc2O)CC1 ZINC000876976035 634941834 /nfs/dbraw/zinc/94/18/34/634941834.db2.gz LUWYHBLBPAWQMB-UHFFFAOYSA-N 1 1 276.424 3.055 20 10 CGCDMO Cc1cccc(O)c1C[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000877470129 635049604 /nfs/dbraw/zinc/04/96/04/635049604.db2.gz DCTRFSHKPIVKAT-NSHDSACASA-N 1 1 289.379 3.232 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c(O)c1 ZINC000877500027 635062853 /nfs/dbraw/zinc/06/28/53/635062853.db2.gz AECXSPANVRNFND-CQSZACIVSA-N 1 1 268.360 3.085 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)c(O)c1 ZINC000877517346 635067288 /nfs/dbraw/zinc/06/72/88/635067288.db2.gz NGBYVTOKWDTZST-HOCLYGCPSA-N 1 1 277.408 3.216 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCOC3(CCC3)C2)c(Cl)c1 ZINC000840915490 635080991 /nfs/dbraw/zinc/08/09/91/635080991.db2.gz BQOVHNXNLFLRQQ-UHFFFAOYSA-N 1 1 281.783 3.109 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCOC3(CCC3)C2)c(Cl)c1 ZINC000840915490 635080995 /nfs/dbraw/zinc/08/09/95/635080995.db2.gz BQOVHNXNLFLRQQ-UHFFFAOYSA-N 1 1 281.783 3.109 20 10 CGCDMO CS[C@H]1CC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840951178 635091440 /nfs/dbraw/zinc/09/14/40/635091440.db2.gz TVKGQBNIYCLVAD-JTQLQIEISA-N 1 1 271.813 3.291 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2c(O)cc(C)cc2Cl)CCCO1 ZINC000840942507 635088288 /nfs/dbraw/zinc/08/82/88/635088288.db2.gz YIJUCEVAFSZUFU-GFCCVEGCSA-N 1 1 283.799 3.355 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000840942665 635088591 /nfs/dbraw/zinc/08/85/91/635088591.db2.gz RXHAYJUSMQDOCD-KRWDZBQOSA-N 1 1 295.430 3.446 20 10 CGCDMO COC[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1C ZINC000840953319 635091906 /nfs/dbraw/zinc/09/19/06/635091906.db2.gz PPKZVEUKQBCVDH-QGZVFWFLSA-N 1 1 276.424 3.062 20 10 CGCDMO C[C@@H]1C[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2O)[C@@H](C)O1 ZINC000840964932 635095331 /nfs/dbraw/zinc/09/53/31/635095331.db2.gz YHGZVLLDJAEAPW-OPRDCNLKSA-N 1 1 287.762 3.088 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@@H](C3CCC3)C2)c1O ZINC000840979018 635098811 /nfs/dbraw/zinc/09/88/11/635098811.db2.gz UROIBVGMZVHPPC-CYBMUJFWSA-N 1 1 261.365 3.023 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000877633624 635123740 /nfs/dbraw/zinc/12/37/40/635123740.db2.gz OAZJOGPMKWZVIQ-YJBOKZPZSA-N 1 1 289.419 3.482 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)c1O ZINC000877740507 635174994 /nfs/dbraw/zinc/17/49/94/635174994.db2.gz VUHCHMPTISFJQB-HUUCEWRRSA-N 1 1 277.433 3.140 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877740740 635175834 /nfs/dbraw/zinc/17/58/34/635175834.db2.gz TUXNPMZQXBOZBR-WDEREUQCSA-N 1 1 283.824 3.231 20 10 CGCDMO CC1(C)C[C@H](O)C[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000877753374 635182888 /nfs/dbraw/zinc/18/28/88/635182888.db2.gz YHZNLIGADCPYML-HNNXBMFYSA-N 1 1 285.387 3.138 20 10 CGCDMO Cc1csc([C@H]2CC[N@@H+](Cc3cc(C)ccc3O)C2)n1 ZINC000877812960 635218394 /nfs/dbraw/zinc/21/83/94/635218394.db2.gz GYLOYFQGKNYDDB-ZDUSSCGKSA-N 1 1 288.416 3.455 20 10 CGCDMO Cc1csc([C@@H]2CC[N@@H+](Cc3ccccc3O)C2)n1 ZINC000877812969 635218680 /nfs/dbraw/zinc/21/86/80/635218680.db2.gz HEBMWRHMCVDCDY-CYBMUJFWSA-N 1 1 274.389 3.147 20 10 CGCDMO C[C@@H]([NH2+]CCCc1cnn(C)c1)c1ccc(Cl)cc1O ZINC000841746398 635222378 /nfs/dbraw/zinc/22/23/78/635222378.db2.gz GEIWCRFEVJSKFD-LLVKDONJSA-N 1 1 293.798 3.063 20 10 CGCDMO CC(C)[C@@H](CCO)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841755412 635228219 /nfs/dbraw/zinc/22/82/19/635228219.db2.gz PENOAKFDSMLSCQ-ZWNOBZJWSA-N 1 1 271.788 3.103 20 10 CGCDMO CCN(CC)[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841754118 635229121 /nfs/dbraw/zinc/22/91/21/635229121.db2.gz ZEQSTLSOZHTJBO-VXGBXAGGSA-N 1 1 284.831 3.427 20 10 CGCDMO C[C@@H](CCO)CC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841755564 635230324 /nfs/dbraw/zinc/23/03/24/635230324.db2.gz JHRAPQRTCKCWRW-GHMZBOCLSA-N 1 1 271.788 3.105 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@H](c3cccnc3)C2)c(O)cc1C ZINC000842629640 635419964 /nfs/dbraw/zinc/41/99/64/635419964.db2.gz WRWCRVQJEDIQFQ-HNNXBMFYSA-N 1 1 298.386 3.094 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1C(C)C ZINC000842625607 635420187 /nfs/dbraw/zinc/42/01/87/635420187.db2.gz PYTXLYLMTCPMOT-KDOFPFPSSA-N 1 1 289.419 3.435 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+](C)C[C@@](C)(O)c2ccccc2)c1 ZINC000842628537 635420757 /nfs/dbraw/zinc/42/07/57/635420757.db2.gz WXFKKEOKUMVBLB-LJQANCHMSA-N 1 1 299.414 3.349 20 10 CGCDMO CC[C@H](C)C[C@H](CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000842755616 635461865 /nfs/dbraw/zinc/46/18/65/635461865.db2.gz HNFOKYHBSKPTHS-VHSXEESVSA-N 1 1 289.778 3.071 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccc(N)nc2)cc1 ZINC000843060107 635555211 /nfs/dbraw/zinc/55/52/11/635555211.db2.gz CVMPGOOGCIXXPM-UHFFFAOYSA-N 1 1 298.434 3.142 20 10 CGCDMO C[C@H]([NH2+]CCCCCC[NH3+])c1cc(Cl)ccc1[O-] ZINC000843341628 635650085 /nfs/dbraw/zinc/65/00/85/635650085.db2.gz KPVZCLLWBJWZBQ-NSHDSACASA-N 1 1 270.804 3.215 20 10 CGCDMO C[C@@H]([NH2+]CCCCCC[NH3+])c1cc(Cl)ccc1[O-] ZINC000843341626 635650227 /nfs/dbraw/zinc/65/02/27/635650227.db2.gz KPVZCLLWBJWZBQ-LLVKDONJSA-N 1 1 270.804 3.215 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@]3(CC3(F)F)C1)CCC2 ZINC000844760345 635959503 /nfs/dbraw/zinc/95/95/03/635959503.db2.gz QGUDTHHNBXKXDL-HNNXBMFYSA-N 1 1 279.330 3.112 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC(C)(C)OC[C@@H]2CC)c(O)c1 ZINC000846028057 636132143 /nfs/dbraw/zinc/13/21/43/636132143.db2.gz VMUAJHBWLLFWGY-AWEZNQCLSA-N 1 1 293.407 3.180 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c1O ZINC000846107114 636143932 /nfs/dbraw/zinc/14/39/32/636143932.db2.gz FNFKMWJIYCNZFA-AWEZNQCLSA-N 1 1 283.318 3.022 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)C(F)F ZINC000846170461 636152886 /nfs/dbraw/zinc/15/28/86/636152886.db2.gz OCEUAIMTUZJYAV-SCZZXKLOSA-N 1 1 259.296 3.095 20 10 CGCDMO CCOc1cccc(C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000882893816 636450595 /nfs/dbraw/zinc/45/05/95/636450595.db2.gz CPYDGUZMHZUEBX-UHFFFAOYSA-N 1 1 293.313 3.359 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1CC12CCSCC2 ZINC000883147263 636556200 /nfs/dbraw/zinc/55/62/00/636556200.db2.gz QDGNXZKZTKMDIT-LLVKDONJSA-N 1 1 299.386 3.293 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@H](C1CCC1)[C@H]1CCCO1 ZINC000883195920 636578899 /nfs/dbraw/zinc/57/88/99/636578899.db2.gz FZZUXGLUXJFIDR-HUUCEWRRSA-N 1 1 297.345 3.108 20 10 CGCDMO CC(C)OC1(C[NH2+]Cc2cc(F)cc(F)c2O)CCC1 ZINC000883203325 636582462 /nfs/dbraw/zinc/58/24/62/636582462.db2.gz YZDNEZWSPMQVPV-UHFFFAOYSA-N 1 1 285.334 3.108 20 10 CGCDMO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000131482549 636666682 /nfs/dbraw/zinc/66/66/82/636666682.db2.gz MEBLWDZYHGNHGP-GXFFZTMASA-N 1 1 269.772 3.045 20 10 CGCDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(Cl)ccc1O ZINC000131482549 636666685 /nfs/dbraw/zinc/66/66/85/636666685.db2.gz MEBLWDZYHGNHGP-GXFFZTMASA-N 1 1 269.772 3.045 20 10 CGCDMO CC(C)C[N@H+](CCN(C)C)Cc1c(O)cccc1Cl ZINC000132549387 636817774 /nfs/dbraw/zinc/81/77/74/636817774.db2.gz JTBCPYKJQGVYHJ-UHFFFAOYSA-N 1 1 284.831 3.065 20 10 CGCDMO CC(C)C[N@@H+](CCN(C)C)Cc1c(O)cccc1Cl ZINC000132549387 636817777 /nfs/dbraw/zinc/81/77/77/636817777.db2.gz JTBCPYKJQGVYHJ-UHFFFAOYSA-N 1 1 284.831 3.065 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2(CC(C)C)CC2)c1 ZINC000850567276 637126776 /nfs/dbraw/zinc/12/67/76/637126776.db2.gz ZOEFAKGPDXFKBT-GFCCVEGCSA-N 1 1 291.391 3.408 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCS[C@H](C)[C@@H]2C)c1O ZINC000135834731 637190903 /nfs/dbraw/zinc/19/09/03/637190903.db2.gz NVWHNTOZZWVDEJ-GXSJLCMTSA-N 1 1 297.395 3.060 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)c1O ZINC000135834731 637190906 /nfs/dbraw/zinc/19/09/06/637190906.db2.gz NVWHNTOZZWVDEJ-GXSJLCMTSA-N 1 1 297.395 3.060 20 10 CGCDMO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2O)cc1C ZINC000109768927 637266313 /nfs/dbraw/zinc/26/63/13/637266313.db2.gz FXSYVZYLYQKYPG-UHFFFAOYSA-N 1 1 298.386 3.080 20 10 CGCDMO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2O)cc1C ZINC000109768927 637266320 /nfs/dbraw/zinc/26/63/20/637266320.db2.gz FXSYVZYLYQKYPG-UHFFFAOYSA-N 1 1 298.386 3.080 20 10 CGCDMO CCC[N@@H+](CC[C@H]1COC(C)(C)O1)Cc1ccccc1O ZINC000851792962 637504661 /nfs/dbraw/zinc/50/46/61/637504661.db2.gz VJPWMMTWQHJQOY-HNNXBMFYSA-N 1 1 293.407 3.146 20 10 CGCDMO C[C@H]([NH2+]Cc1cccc2c1OCO2)c1c(O)cccc1F ZINC000886508564 637544498 /nfs/dbraw/zinc/54/44/98/637544498.db2.gz FMPCUPIADIHCIF-JTQLQIEISA-N 1 1 289.306 3.111 20 10 CGCDMO C[C@H]([NH2+]CCSC(F)(F)F)c1c(O)cccc1F ZINC000886508619 637544977 /nfs/dbraw/zinc/54/49/77/637544977.db2.gz HNSMSOBCFUBGOM-ZETCQYMHSA-N 1 1 283.290 3.435 20 10 CGCDMO CCC1(C[NH2+][C@H](C)c2c(O)cccc2F)CCOCC1 ZINC000886534798 637560060 /nfs/dbraw/zinc/56/00/60/637560060.db2.gz OSDJNJADMVULOW-GFCCVEGCSA-N 1 1 281.371 3.389 20 10 CGCDMO C[C@H]([NH2+]C[C@@]1(C)CCCS1)c1c(O)cccc1F ZINC000886538505 637564355 /nfs/dbraw/zinc/56/43/55/637564355.db2.gz JFEHGOZDGFKVCD-IINYFYTJSA-N 1 1 269.385 3.468 20 10 CGCDMO C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1c(O)cccc1F ZINC000886547281 637575149 /nfs/dbraw/zinc/57/51/49/637575149.db2.gz IMWMFDXNLYQMAU-IINYFYTJSA-N 1 1 293.313 3.055 20 10 CGCDMO C[C@@H]([NH2+]CCSCC(F)(F)F)c1c(O)cccc1F ZINC000886560421 637581908 /nfs/dbraw/zinc/58/19/08/637581908.db2.gz YYHZOQJZDMKYSY-MRVPVSSYSA-N 1 1 297.317 3.477 20 10 CGCDMO COC1(C[NH2+][C@@H](C)c2c(O)cccc2F)CCCC1 ZINC000886615824 637608746 /nfs/dbraw/zinc/60/87/46/637608746.db2.gz ORMLHLRNGPXMFK-NSHDSACASA-N 1 1 267.344 3.141 20 10 CGCDMO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2c(O)cccc2F)cn1 ZINC000886621873 637613052 /nfs/dbraw/zinc/61/30/52/637613052.db2.gz DULSIIOYWVLIFE-MNOVXSKESA-N 1 1 277.343 3.160 20 10 CGCDMO C[C@@H]([NH2+]CC(C)(C)OCC1CC1)c1c(O)cccc1F ZINC000886625530 637616487 /nfs/dbraw/zinc/61/64/87/637616487.db2.gz UEPSMBAMZJPEHB-LLVKDONJSA-N 1 1 281.371 3.387 20 10 CGCDMO C[C@@H](C[NH2+][C@H](C)c1c(O)cccc1F)CC(F)F ZINC000886629657 637617996 /nfs/dbraw/zinc/61/79/96/637617996.db2.gz KSZUAROZKUJAMH-RKDXNWHRSA-N 1 1 261.287 3.473 20 10 CGCDMO CC[C@@H](COCC1CC1)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886636112 637621821 /nfs/dbraw/zinc/62/18/21/637621821.db2.gz GKMPGFYQVGARAK-AAEUAGOBSA-N 1 1 281.371 3.387 20 10 CGCDMO C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1ccccc1 ZINC000886640328 637624847 /nfs/dbraw/zinc/62/48/47/637624847.db2.gz WTTKSDSQPLJBBI-XWCIJXRUSA-N 1 1 289.350 3.304 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CCO)cc1 ZINC000852460102 637654923 /nfs/dbraw/zinc/65/49/23/637654923.db2.gz ANGLHBCHFITHHR-MAUKXSAKSA-N 1 1 290.451 3.126 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC3(CCC3)OC[C@@H]2C)cc1C ZINC000853543070 637865251 /nfs/dbraw/zinc/86/52/51/637865251.db2.gz ZPYUJIXVQIGXEG-AWEZNQCLSA-N 1 1 275.392 3.152 20 10 CGCDMO C[C@@]12COC[C@@H]1C[N@@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000853565974 637868208 /nfs/dbraw/zinc/86/82/08/637868208.db2.gz LGJMPWCOBGGRNS-KBXCAEBGSA-N 1 1 283.371 3.014 20 10 CGCDMO Cc1ccc([C@H](C)[N@H+]2CCOc3ccc(N)cc3C2)c(O)c1 ZINC000925755145 638597899 /nfs/dbraw/zinc/59/78/99/638597899.db2.gz SJLYRRXAWLFNPX-ZDUSSCGKSA-N 1 1 298.386 3.238 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)c1ncccn1 ZINC000929753130 638947116 /nfs/dbraw/zinc/94/71/16/638947116.db2.gz LYVIMWGZJVZPJT-ZDUSSCGKSA-N 1 1 271.364 3.155 20 10 CGCDMO C[C@H](C[N@@H+](C)Cc1ccccc1O)C(=O)c1ccc(O)cc1 ZINC000929974766 638965512 /nfs/dbraw/zinc/96/55/12/638965512.db2.gz APIMCTOROJTQKI-CYBMUJFWSA-N 1 1 299.370 3.049 20 10 CGCDMO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2ccc(Cl)cc2O)C1 ZINC000858592579 638999044 /nfs/dbraw/zinc/99/90/44/638999044.db2.gz GJPJMWJWDIWENQ-FOGDFJRCSA-N 1 1 269.772 3.121 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)CC(O)(CC)CC)cc1 ZINC000860064946 639277649 /nfs/dbraw/zinc/27/76/49/639277649.db2.gz FGIYZNCWFKBEIY-UHFFFAOYSA-N 1 1 278.440 3.126 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@@H]2c2ccnn2C)ccc1N(C)C ZINC000932261378 639305002 /nfs/dbraw/zinc/30/50/02/639305002.db2.gz OVCLITNGWAKEGE-GOSISDBHSA-N 1 1 298.434 3.132 20 10 CGCDMO C[C@@H]1CCCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000187514272 639692688 /nfs/dbraw/zinc/69/26/88/639692688.db2.gz XXWJXHKKVKLQGP-MRXNPFEDSA-N 1 1 288.435 3.145 20 10 CGCDMO CS[C@H](C)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000191466828 640312811 /nfs/dbraw/zinc/31/28/11/640312811.db2.gz BFIFMQFBAFTAMY-SSDOTTSWSA-N 1 1 263.765 3.026 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCS[C@H](C)CC2)c1 ZINC000191662682 640325911 /nfs/dbraw/zinc/32/59/11/640325911.db2.gz YFOZNDSVEWDWIR-CYBMUJFWSA-N 1 1 265.422 3.336 20 10 CGCDMO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000248527071 640766984 /nfs/dbraw/zinc/76/69/84/640766984.db2.gz VJKNOLVADFGLAO-UEKVPHQBSA-N 1 1 293.338 3.287 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)C[C@H](O)c1ccc(F)cc1 ZINC001252850021 806130840 /nfs/dbraw/zinc/13/08/40/806130840.db2.gz OQOAUJJRMHRANU-KRWDZBQOSA-N 1 1 289.350 3.087 20 10 CGCDMO Cc1c([C@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2O)cnn1C ZINC001254721673 806487215 /nfs/dbraw/zinc/48/72/15/806487215.db2.gz UGUGLBJWKCMLSS-IUCAKERBSA-N 1 1 295.333 3.124 20 10 CGCDMO CCCN1CCC([NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000037236863 798864037 /nfs/dbraw/zinc/86/40/37/798864037.db2.gz JEGGUDAIMAZDTE-OAHLLOKOSA-N 1 1 289.467 3.278 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](C)C[C@H](C)C2)c1O ZINC000037322460 798866627 /nfs/dbraw/zinc/86/66/27/798866627.db2.gz GQLIHQRCBJGGJZ-PHIMTYICSA-N 1 1 279.355 3.212 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1O ZINC000037322460 798866630 /nfs/dbraw/zinc/86/66/30/798866630.db2.gz GQLIHQRCBJGGJZ-PHIMTYICSA-N 1 1 279.355 3.212 20 10 CGCDMO COc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c(O)c1 ZINC000093442223 798964326 /nfs/dbraw/zinc/96/43/26/798964326.db2.gz VUAWNKBGWRGSMK-BETUJISGSA-N 1 1 261.365 3.023 20 10 CGCDMO Cc1ncccc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000155190726 799062060 /nfs/dbraw/zinc/06/20/60/799062060.db2.gz QVYVPECSMWWATO-UHFFFAOYSA-N 1 1 269.392 3.088 20 10 CGCDMO Cc1cccc(C[N@@H+](C)CC2CC(F)(F)C2)c1O ZINC000383466405 799402949 /nfs/dbraw/zinc/40/29/49/799402949.db2.gz BRVLRFQPFRRQGZ-UHFFFAOYSA-N 1 1 255.308 3.178 20 10 CGCDMO [NH3+]C[C@H]1CCCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000387441873 799447080 /nfs/dbraw/zinc/44/70/80/799447080.db2.gz KCSROJAFEDMNIK-CQSZACIVSA-N 1 1 284.403 3.106 20 10 CGCDMO [NH3+]C[C@H]1CCCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000387441873 799447084 /nfs/dbraw/zinc/44/70/84/799447084.db2.gz KCSROJAFEDMNIK-CQSZACIVSA-N 1 1 284.403 3.106 20 10 CGCDMO CC(C)O[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000404505616 799577444 /nfs/dbraw/zinc/57/74/44/799577444.db2.gz BGELRWJSQXOGQY-AWEZNQCLSA-N 1 1 283.799 3.435 20 10 CGCDMO Cc1ccc(CC[NH2+][C@H](C)c2ccc(F)cc2O)o1 ZINC000689803909 799768963 /nfs/dbraw/zinc/76/89/63/799768963.db2.gz AYYQUWLLMBCJRZ-LLVKDONJSA-N 1 1 263.312 3.326 20 10 CGCDMO COc1ccc2c(c1)C[N@H+](Cc1cccc(C)c1O)C2 ZINC000692920450 799803031 /nfs/dbraw/zinc/80/30/31/799803031.db2.gz ASSLQEWGJUGAEB-UHFFFAOYSA-N 1 1 269.344 3.225 20 10 CGCDMO C[C@H]([NH2+]CCC1SCCS1)c1ccc(F)cc1O ZINC000693780764 799814852 /nfs/dbraw/zinc/81/48/52/799814852.db2.gz STBRQSJPTJRIRD-VIFPVBQESA-N 1 1 287.425 3.378 20 10 CGCDMO CCOC[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708422293 799988100 /nfs/dbraw/zinc/98/81/00/799988100.db2.gz LYNFSKRMEPYIFV-ZDUSSCGKSA-N 1 1 285.334 3.061 20 10 CGCDMO CCOC[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000708422293 799988106 /nfs/dbraw/zinc/98/81/06/799988106.db2.gz LYNFSKRMEPYIFV-ZDUSSCGKSA-N 1 1 285.334 3.061 20 10 CGCDMO CCOC[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000708422293 799988111 /nfs/dbraw/zinc/98/81/11/799988111.db2.gz LYNFSKRMEPYIFV-ZDUSSCGKSA-N 1 1 285.334 3.061 20 10 CGCDMO CC(C)O[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708423137 799989354 /nfs/dbraw/zinc/98/93/54/799989354.db2.gz PMFGAAKUDYSDEJ-ZDUSSCGKSA-N 1 1 285.334 3.060 20 10 CGCDMO CC(C)O[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708423137 799989361 /nfs/dbraw/zinc/98/93/61/799989361.db2.gz PMFGAAKUDYSDEJ-ZDUSSCGKSA-N 1 1 285.334 3.060 20 10 CGCDMO CC(C)O[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708423137 799989367 /nfs/dbraw/zinc/98/93/67/799989367.db2.gz PMFGAAKUDYSDEJ-ZDUSSCGKSA-N 1 1 285.334 3.060 20 10 CGCDMO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708481245 799990308 /nfs/dbraw/zinc/99/03/08/799990308.db2.gz PKCPOTVSZDYYTJ-SSDOTTSWSA-N 1 1 282.290 3.126 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@](C)(C(F)(F)F)C2)c1 ZINC000708603386 799991495 /nfs/dbraw/zinc/99/14/95/799991495.db2.gz YZGMASPXRRZNMI-ZDUSSCGKSA-N 1 1 273.298 3.475 20 10 CGCDMO CCSC1(C[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000708553291 799991870 /nfs/dbraw/zinc/99/18/70/799991870.db2.gz BAAQVWREXPPAGE-UHFFFAOYSA-N 1 1 273.348 3.046 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](C3CCCC3)C2)c1 ZINC000708871963 799998885 /nfs/dbraw/zinc/99/88/85/799998885.db2.gz WRPZJAZAGGXEGS-AWEZNQCLSA-N 1 1 275.392 3.413 20 10 CGCDMO CC[N@@H+](Cc1c(O)cccc1Cl)C1CCOCC1 ZINC000716475676 800171960 /nfs/dbraw/zinc/17/19/60/800171960.db2.gz BPGPUISDPYYWOF-UHFFFAOYSA-N 1 1 269.772 3.047 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1ccns1 ZINC000886643276 800545563 /nfs/dbraw/zinc/54/55/63/800545563.db2.gz PXHBGOJQTHTYGK-BDAKNGLRSA-N 1 1 266.341 3.400 20 10 CGCDMO COc1cccc(C[C@@H](C)[N@H+]2CCc3cccc(O)c3C2)c1 ZINC001256169856 806842493 /nfs/dbraw/zinc/84/24/93/806842493.db2.gz OFLWMBLPBRSLKX-CQSZACIVSA-N 1 1 297.398 3.390 20 10 CGCDMO C[C@H]([NH2+]C1CC2(CC2(F)F)C1)c1ccc(F)cc1O ZINC001118493759 802576721 /nfs/dbraw/zinc/57/67/21/802576721.db2.gz VOWDHNJFSLVIDY-LUHBLDKBSA-N 1 1 271.282 3.370 20 10 CGCDMO CC[N@@H+](Cc1cnc2ccc(C)cn12)Cc1ccccc1O ZINC001137310862 803712328 /nfs/dbraw/zinc/71/23/28/803712328.db2.gz VFGQROBHQIWWTP-UHFFFAOYSA-N 1 1 295.386 3.370 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2cccc(F)c2O)CCC1(F)F ZINC001138122602 803860690 /nfs/dbraw/zinc/86/06/90/803860690.db2.gz PJMNTCJQMLQJIB-SNVBAGLBSA-N 1 1 273.298 3.399 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)CCC1(F)F ZINC001138122602 803860698 /nfs/dbraw/zinc/86/06/98/803860698.db2.gz PJMNTCJQMLQJIB-SNVBAGLBSA-N 1 1 273.298 3.399 20 10 CGCDMO C[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)C[C@H]1C ZINC001138122585 803860885 /nfs/dbraw/zinc/86/08/85/803860885.db2.gz ONJWDXDVPDNHMH-VXGBXAGGSA-N 1 1 251.345 3.399 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)C[C@H]1C ZINC001138122585 803860893 /nfs/dbraw/zinc/86/08/93/803860893.db2.gz ONJWDXDVPDNHMH-VXGBXAGGSA-N 1 1 251.345 3.399 20 10 CGCDMO Cc1c(C[N@@H+]2CC[C@@H](C)[C@H](O)CC2)c2ccccc2n1C ZINC001138252278 803880104 /nfs/dbraw/zinc/88/01/04/803880104.db2.gz AKPLSGHEHSBRTR-FZKQIMNGSA-N 1 1 286.419 3.080 20 10 CGCDMO Cc1c(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)c2ccccc2n1C ZINC001138252644 803881712 /nfs/dbraw/zinc/88/17/12/803881712.db2.gz OHKHUYAOKVBJOH-ACJLOTCBSA-N 1 1 286.419 3.080 20 10 CGCDMO CC[N@H+](CCN1CCCC1)Cc1c(C)n(C)c2ccccc21 ZINC001138256645 803882526 /nfs/dbraw/zinc/88/25/26/803882526.db2.gz FDKOCGLJDXXDER-UHFFFAOYSA-N 1 1 299.462 3.404 20 10 CGCDMO CC[N@@H+](CCN1CCCC1)Cc1c(C)n(C)c2ccccc21 ZINC001138256645 803882531 /nfs/dbraw/zinc/88/25/31/803882531.db2.gz FDKOCGLJDXXDER-UHFFFAOYSA-N 1 1 299.462 3.404 20 10 CGCDMO Cc1c(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)c2ccccc2n1C ZINC001138253712 803882698 /nfs/dbraw/zinc/88/26/98/803882698.db2.gz DKTOPCGHHSAZLC-BEFAXECRSA-N 1 1 298.430 3.488 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138356441 803901027 /nfs/dbraw/zinc/90/10/27/803901027.db2.gz OIXNADUQGTUDCZ-KRWDZBQOSA-N 1 1 288.435 3.070 20 10 CGCDMO CN1CCCc2cc(C[N@@H+](C)CCc3cccnc3)ccc21 ZINC001138356557 803901102 /nfs/dbraw/zinc/90/11/02/803901102.db2.gz RALOCXZBWONCSE-UHFFFAOYSA-N 1 1 295.430 3.139 20 10 CGCDMO CN1CCCc2cc(C[N@@H+]3C[C@@H]4[C@H](C3)C4(C)C)ccc21 ZINC001138355866 803901113 /nfs/dbraw/zinc/90/11/13/803901113.db2.gz FFZHPNWUWQUDNQ-IYBDPMFKSA-N 1 1 270.420 3.157 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCSC)c(OC)c1 ZINC001138392176 803912742 /nfs/dbraw/zinc/91/27/42/803912742.db2.gz SXMSEYYRAMGUNH-UHFFFAOYSA-N 1 1 296.480 3.336 20 10 CGCDMO CCN(CC)c1ccc(C[NH+]2CC(C(F)F)C2)c(OC)c1 ZINC001138392091 803913051 /nfs/dbraw/zinc/91/30/51/803913051.db2.gz PVKGLYFMQVWUDT-UHFFFAOYSA-N 1 1 298.377 3.238 20 10 CGCDMO CC[N@@H+](Cc1c[nH]nc1C(C)(C)C)Cc1ccccc1O ZINC001138579110 803972631 /nfs/dbraw/zinc/97/26/31/803972631.db2.gz BTNVGRJZOFGMRH-UHFFFAOYSA-N 1 1 287.407 3.435 20 10 CGCDMO Cc1cccc2c1C[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001140058369 804364572 /nfs/dbraw/zinc/36/45/72/804364572.db2.gz XVXKPZRSFNXDLI-UHFFFAOYSA-N 1 1 257.308 3.356 20 10 CGCDMO Oc1ccc(F)cc1C[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001140063135 804369000 /nfs/dbraw/zinc/36/90/00/804369000.db2.gz LLIFHZWFTKCUAX-SKDRFNHKSA-N 1 1 271.282 3.008 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)c1O ZINC001140179491 804396271 /nfs/dbraw/zinc/39/62/71/804396271.db2.gz FGRRCYCLRSHMQF-HOCLYGCPSA-N 1 1 275.392 3.010 20 10 CGCDMO C[C@@]1(CF)CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC001140337730 804417501 /nfs/dbraw/zinc/41/75/01/804417501.db2.gz BFCMKZHTZHVQQR-ZDUSSCGKSA-N 1 1 257.736 3.227 20 10 CGCDMO C[N@H+]1CCN(Cc2ccc(Cl)cc2O)C2(CCCC2)C1 ZINC001140468446 804443978 /nfs/dbraw/zinc/44/39/78/804443978.db2.gz LGLHWUBOJKTWEJ-UHFFFAOYSA-N 1 1 294.826 3.106 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](Oc3cccnc3)C2)c1 ZINC001140621356 804476415 /nfs/dbraw/zinc/47/64/15/804476415.db2.gz YPDRHOVSKLDYIN-QGZVFWFLSA-N 1 1 298.386 3.139 20 10 CGCDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1cc(C)ccc1O ZINC001140621331 804476737 /nfs/dbraw/zinc/47/67/37/804476737.db2.gz WIFMBTVTPNEXCP-OAHLLOKOSA-N 1 1 263.381 3.090 20 10 CGCDMO Cc1nc2c(s1)C[N@@H+](Cc1cc(C)ccc1O)CC2 ZINC001140621123 804476926 /nfs/dbraw/zinc/47/69/26/804476926.db2.gz PVYLDANLBMBKQU-UHFFFAOYSA-N 1 1 274.389 3.024 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)Cc2cccc3c2OCO3)c1 ZINC001140624162 804477663 /nfs/dbraw/zinc/47/76/63/804477663.db2.gz JCWUEJAZGRLPLL-UHFFFAOYSA-N 1 1 285.343 3.061 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1O ZINC001140747673 804505131 /nfs/dbraw/zinc/50/51/31/804505131.db2.gz IGPMAYNXESLOTE-GASCZTMLSA-N 1 1 295.382 3.493 20 10 CGCDMO Cc1c(O)ccc(C[N@H+](C)[C@H]2CC[C@H](C)CC2)c1O ZINC001140751307 804505302 /nfs/dbraw/zinc/50/53/02/804505302.db2.gz RETLSWDXGWDFHC-YEORSEQZSA-N 1 1 263.381 3.417 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c(O)c1 ZINC001140850695 804533595 /nfs/dbraw/zinc/53/35/95/804533595.db2.gz REDBWUNHABDPPT-GASCZTMLSA-N 1 1 288.435 3.470 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1cnccc1C(F)(F)F ZINC001140920230 804548573 /nfs/dbraw/zinc/54/85/73/804548573.db2.gz MUYFBMOBBYWAFU-UHFFFAOYSA-N 1 1 296.292 3.438 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c(Cl)c1 ZINC001140922385 804549656 /nfs/dbraw/zinc/54/96/56/804549656.db2.gz PHZFUQLOQFCOFS-OKILXGFUSA-N 1 1 292.810 3.102 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c(OC)c1 ZINC001141029176 804574778 /nfs/dbraw/zinc/57/47/78/804574778.db2.gz LEOWCPZCJWFOKC-WFASDCNBSA-N 1 1 291.391 3.174 20 10 CGCDMO Cc1cccc(CC[N@H+](C)Cc2cc(O)ccc2O)c1 ZINC001141160026 804599604 /nfs/dbraw/zinc/59/96/04/804599604.db2.gz PJVBFSWERVUDIO-UHFFFAOYSA-N 1 1 271.360 3.081 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(O)ccc2O)Cc2ccccc21 ZINC001141156905 804599724 /nfs/dbraw/zinc/59/97/24/804599724.db2.gz XFFJTDKTPHMTHJ-LBPRGKRZSA-N 1 1 269.344 3.217 20 10 CGCDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2cc(O)ccc2O)cn1 ZINC001141161522 804601305 /nfs/dbraw/zinc/60/13/05/804601305.db2.gz TXOTYOJPGPVVHF-MRXNPFEDSA-N 1 1 284.359 3.138 20 10 CGCDMO C[N@@H+](Cc1[nH]cnc1C(C)(C)C)Cc1ccccc1O ZINC001142235207 804705365 /nfs/dbraw/zinc/70/53/65/804705365.db2.gz QYRYNKNHPNFXHC-UHFFFAOYSA-N 1 1 273.380 3.045 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CC[C@]3(CCOC3)C2)c1O ZINC001143104384 804802037 /nfs/dbraw/zinc/80/20/37/804802037.db2.gz SMAWAFQXZPQUSG-SFHVURJKSA-N 1 1 289.419 3.302 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)CC[C@H]1O ZINC001143103391 804802418 /nfs/dbraw/zinc/80/24/18/804802418.db2.gz BSQRAHGWGDFDSR-CZUORRHYSA-N 1 1 291.435 3.283 20 10 CGCDMO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143111481 804802878 /nfs/dbraw/zinc/80/28/78/804802878.db2.gz BYOBOSKMLLTJMT-TZMCWYRMSA-N 1 1 277.408 3.035 20 10 CGCDMO Cc1c(O)cccc1C[N@H+](C)Cc1ccccc1O ZINC001144117531 804937748 /nfs/dbraw/zinc/93/77/48/804937748.db2.gz FXUUVOUTNNLMSM-UHFFFAOYSA-N 1 1 257.333 3.038 20 10 CGCDMO CC[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)CCO1 ZINC001170237213 807799586 /nfs/dbraw/zinc/79/95/86/807799586.db2.gz HRVKBJVAYCSSIQ-DLBZAZTESA-N 1 1 276.424 3.142 20 10 CGCDMO CC[C@H](C)OCC[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC001172352762 808249067 /nfs/dbraw/zinc/24/90/67/808249067.db2.gz JEROFASBMYNGSV-KGLIPLIRSA-N 1 1 265.397 3.418 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@@H]1CCC[C@@H](OC)C1 ZINC001172946189 808492797 /nfs/dbraw/zinc/49/27/97/808492797.db2.gz SMOODFKUHVVXPN-HUUCEWRRSA-N 1 1 263.381 3.172 20 10 CGCDMO CCCOc1ccc(CN[C@@H]2CC[N@H+](CCC)C2)cc1C ZINC001179238442 809910647 /nfs/dbraw/zinc/91/06/47/809910647.db2.gz NQWJYONOWKOYSN-QGZVFWFLSA-N 1 1 290.451 3.358 20 10 CGCDMO CCCOc1ccc(CN[C@@H]2CC[N@@H+](CCC)C2)cc1C ZINC001179238442 809910649 /nfs/dbraw/zinc/91/06/49/809910649.db2.gz NQWJYONOWKOYSN-QGZVFWFLSA-N 1 1 290.451 3.358 20 10 CGCDMO COc1ccc(F)c(C[NH2+]Cc2cc(F)c(F)cc2O)c1 ZINC001183001239 810134751 /nfs/dbraw/zinc/13/47/51/810134751.db2.gz SISIPQPGUYSTPY-UHFFFAOYSA-N 1 1 297.276 3.108 20 10 CGCDMO CC(C)(C[NH2+]Cc1c(O)cccc1F)Oc1ccccc1 ZINC001183918946 810169515 /nfs/dbraw/zinc/16/95/15/810169515.db2.gz DGDGJZXKEYJPOV-UHFFFAOYSA-N 1 1 289.350 3.479 20 10 CGCDMO CCC[N@@H+](Cc1cccc(OC)c1O)[C@H](C)CC ZINC001203586098 812400094 /nfs/dbraw/zinc/40/00/94/812400094.db2.gz YJIDCQFEEKNGRI-GFCCVEGCSA-N 1 1 251.370 3.411 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)c(O)c1 ZINC001203620851 812409642 /nfs/dbraw/zinc/40/96/42/812409642.db2.gz JYTXZFGMVLXZFA-INIZCTEOSA-N 1 1 284.359 3.133 20 10 CGCDMO C[C@H]1C[C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CC[C@H]2O1 ZINC001203656340 812417723 /nfs/dbraw/zinc/41/77/23/812417723.db2.gz NLJPHRZXTLHOLD-ITDIGPHOSA-N 1 1 281.783 3.045 20 10 CGCDMO Cc1nc2c(s1)C[N@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001203657139 812419298 /nfs/dbraw/zinc/41/92/98/812419298.db2.gz FYYWRWYIOWSSKU-UHFFFAOYSA-N 1 1 294.807 3.369 20 10 CGCDMO Cc1nc2c(s1)C[N@@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001203657139 812419300 /nfs/dbraw/zinc/41/93/00/812419300.db2.gz FYYWRWYIOWSSKU-UHFFFAOYSA-N 1 1 294.807 3.369 20 10 CGCDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC001203663943 812422889 /nfs/dbraw/zinc/42/28/89/812422889.db2.gz HGQOKTAIACTRDW-CQSZACIVSA-N 1 1 283.799 3.435 20 10 CGCDMO CCCC[N@H+](CC(=O)OCC)Cc1cc(Cl)ccc1O ZINC001203664487 812422974 /nfs/dbraw/zinc/42/29/74/812422974.db2.gz GUVLVMRVOGIBNK-UHFFFAOYSA-N 1 1 299.798 3.211 20 10 CGCDMO CCCC[N@@H+](CC(=O)OCC)Cc1cc(Cl)ccc1O ZINC001203664487 812422978 /nfs/dbraw/zinc/42/29/78/812422978.db2.gz GUVLVMRVOGIBNK-UHFFFAOYSA-N 1 1 299.798 3.211 20 10 CGCDMO Oc1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)cc1O ZINC001203878636 812478246 /nfs/dbraw/zinc/47/82/46/812478246.db2.gz IZDYNZXTOAJOOZ-MRXNPFEDSA-N 1 1 283.371 3.477 20 10 CGCDMO CN(C)c1ccc(C[NH+]2CC(Oc3ccccc3)C2)cc1 ZINC001203933725 812495902 /nfs/dbraw/zinc/49/59/02/812495902.db2.gz GZOYMJHTXYCXGF-UHFFFAOYSA-N 1 1 282.387 3.016 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)cc1 ZINC001203942450 812498098 /nfs/dbraw/zinc/49/80/98/812498098.db2.gz QUPIAMOJUHJKDR-OSYLJGHBSA-N 1 1 276.399 3.180 20 10 CGCDMO Cc1ccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)s1 ZINC001204033707 812525971 /nfs/dbraw/zinc/52/59/71/812525971.db2.gz QQYFWJYUSCFSQE-UHFFFAOYSA-N 1 1 289.400 3.416 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)CC[C@H]1O ZINC001204234146 812581180 /nfs/dbraw/zinc/58/11/80/812581180.db2.gz XRHWZGRCYOEVFM-AUUYWEPGSA-N 1 1 298.430 3.109 20 10 CGCDMO C[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(O)cc1O ZINC001204274753 812592870 /nfs/dbraw/zinc/59/28/70/812592870.db2.gz IKRRPWAAUXGNMA-UHFFFAOYSA-N 1 1 277.751 3.383 20 10 CGCDMO CCCO[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204327448 812614211 /nfs/dbraw/zinc/61/42/11/812614211.db2.gz UQKJDUZDIUVBII-SFHVURJKSA-N 1 1 288.435 3.288 20 10 CGCDMO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001204328792 812614660 /nfs/dbraw/zinc/61/46/60/812614660.db2.gz NQQTZSQNBDUFMF-ROUUACIJSA-N 1 1 286.419 3.040 20 10 CGCDMO CC[N@@H+](Cc1ccccc1)Cc1cc(O)c(O)c(OC)c1 ZINC001204340536 812616212 /nfs/dbraw/zinc/61/62/12/812616212.db2.gz WEPXZBUXSHOHNI-UHFFFAOYSA-N 1 1 287.359 3.129 20 10 CGCDMO CC(C)[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC001204974782 812803967 /nfs/dbraw/zinc/80/39/67/812803967.db2.gz BOEKOQPGYWUPLV-QWNKOJSDSA-N 1 1 288.435 3.123 20 10 CGCDMO CC(C)[C@@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC001204974782 812803975 /nfs/dbraw/zinc/80/39/75/812803975.db2.gz BOEKOQPGYWUPLV-QWNKOJSDSA-N 1 1 288.435 3.123 20 10 CGCDMO C[C@]1(C[NH3+])CCCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001206563481 813355654 /nfs/dbraw/zinc/35/56/54/813355654.db2.gz DJYZASBYXQLDKY-LJQANCHMSA-N 1 1 298.430 3.496 20 10 CGCDMO C[C@]1(C[NH3+])CCCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001206563481 813355662 /nfs/dbraw/zinc/35/56/62/813355662.db2.gz DJYZASBYXQLDKY-LJQANCHMSA-N 1 1 298.430 3.496 20 10 CGCDMO CC(C)[N@@H+](Cc1cc(Cl)ccc1[O-])[C@H]1CCC[NH2+]CC1 ZINC001206579931 813361304 /nfs/dbraw/zinc/36/13/04/813361304.db2.gz BGPAVOPDRABHSS-HNNXBMFYSA-N 1 1 296.842 3.398 20 10 CGCDMO [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001206633611 813381545 /nfs/dbraw/zinc/38/15/45/813381545.db2.gz ZCWLQFBNMOVWLJ-AWEZNQCLSA-N 1 1 284.403 3.106 20 10 CGCDMO [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001206633611 813381553 /nfs/dbraw/zinc/38/15/53/813381553.db2.gz ZCWLQFBNMOVWLJ-AWEZNQCLSA-N 1 1 284.403 3.106 20 10 CGCDMO [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001206633611 813381558 /nfs/dbraw/zinc/38/15/58/813381558.db2.gz ZCWLQFBNMOVWLJ-AWEZNQCLSA-N 1 1 284.403 3.106 20 10 CGCDMO C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccccc2O)C[C@H](C)O1 ZINC001209397028 814013951 /nfs/dbraw/zinc/01/39/51/814013951.db2.gz IMZVRYCOTUHMEH-BTTYYORXSA-N 1 1 263.381 3.028 20 10 CGCDMO C[C@H]1CC(C[N@@H+](C)Cc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC001209399850 814014021 /nfs/dbraw/zinc/01/40/21/814014021.db2.gz VBLDWUVODFUFCI-GJZGRUSLSA-N 1 1 290.451 3.388 20 10 CGCDMO C[C@H]1CC(C[N@@H+](C)Cc2ccccc2O)C[C@H](C)O1 ZINC001209397034 814014825 /nfs/dbraw/zinc/01/48/25/814014825.db2.gz IMZVRYCOTUHMEH-STQMWFEESA-N 1 1 263.381 3.028 20 10 CGCDMO COc1ccc2c(c1)c1c(n2C)CC[N@H+](C[C@H]2C[C@@H]2C)C1 ZINC001209421828 814024152 /nfs/dbraw/zinc/02/41/52/814024152.db2.gz PMTWTESFOWOBJE-QWHCGFSZSA-N 1 1 284.403 3.201 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCCOCC2)cc1 ZINC001209517167 814071720 /nfs/dbraw/zinc/07/17/20/814071720.db2.gz AAMKYYXBVGZHNB-UHFFFAOYSA-N 1 1 284.403 3.316 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+]2CCNC[C@H]2c2ccccc2)c1O ZINC001210215382 814345618 /nfs/dbraw/zinc/34/56/18/814345618.db2.gz HOBYYZGNNDJTRC-SFHVURJKSA-N 1 1 296.414 3.156 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCNC[C@H]2c2ccccc2)c1O ZINC001210215382 814345624 /nfs/dbraw/zinc/34/56/24/814345624.db2.gz HOBYYZGNNDJTRC-SFHVURJKSA-N 1 1 296.414 3.156 20 10 CGCDMO CC(C)Oc1ccc(C[N@@H+](C)Cc2ccccc2O)cn1 ZINC001231539074 818122416 /nfs/dbraw/zinc/12/24/16/818122416.db2.gz VSPGQRLCCZKVSL-UHFFFAOYSA-N 1 1 286.375 3.206 20 10 CGCDMO COc1ccc(Br)c(C[N@@H+](C)C(C)C)c1O ZINC001231548319 818124819 /nfs/dbraw/zinc/12/48/19/818124819.db2.gz RVJUDSZQKMZDBH-UHFFFAOYSA-N 1 1 288.185 3.004 20 10 CGCDMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(O)ccc2ccccc21 ZINC001231587717 818130170 /nfs/dbraw/zinc/13/01/70/818130170.db2.gz YHHWZLOZBMBYAQ-OKILXGFUSA-N 1 1 281.355 3.241 20 10 CGCDMO CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc(C)c1O)C2 ZINC001231592043 818132282 /nfs/dbraw/zinc/13/22/82/818132282.db2.gz KCNNOCHCSPIZAO-AEFFLSMTSA-N 1 1 289.419 3.339 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c(O)cc1O ZINC001231636325 818143977 /nfs/dbraw/zinc/14/39/77/818143977.db2.gz SOHCQAOGQYJIEA-GXTWGEPZSA-N 1 1 291.391 3.261 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCC[C@H](F)CC2)c(O)c1 ZINC001231841862 818186141 /nfs/dbraw/zinc/18/61/41/818186141.db2.gz FDRJRAHBVUCIOM-ZDUSSCGKSA-N 1 1 251.345 3.333 20 10 CGCDMO CCCO[C@H]1CC[N@@H+](Cc2c(C)cc(C)cc2O)C1 ZINC001231844017 818186213 /nfs/dbraw/zinc/18/62/13/818186213.db2.gz DVGKLDXPJOBEGO-AWEZNQCLSA-N 1 1 263.381 3.010 20 10 CGCDMO CC[N@@H+](Cc1c(C)cc(C)cc1O)C1CCOCC1 ZINC001231845669 818187489 /nfs/dbraw/zinc/18/74/89/818187489.db2.gz PRVMSYXWFDOSFG-UHFFFAOYSA-N 1 1 263.381 3.010 20 10 CGCDMO Cc1cc(C)c(C[N@H+](CCCCCO)C(C)C)c(O)c1 ZINC001231848573 818187795 /nfs/dbraw/zinc/18/77/95/818187795.db2.gz JFQFEAPQRPNMAF-UHFFFAOYSA-N 1 1 279.424 3.382 20 10 CGCDMO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)Cc1c(C)cc(C)cc1O ZINC001231849155 818188495 /nfs/dbraw/zinc/18/84/95/818188495.db2.gz OWTGIWUKNKDGBK-LRDDRELGSA-N 1 1 293.407 3.029 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@@H+](C)CC1CCCC1 ZINC001231854580 818189078 /nfs/dbraw/zinc/18/90/78/818189078.db2.gz IUJJHZSQRRPTAQ-UHFFFAOYSA-N 1 1 276.424 3.383 20 10 CGCDMO CCN1CC[N@@H+](Cc2ccc3ccccc3c2O)[C@H](C)C1 ZINC001231883002 818201624 /nfs/dbraw/zinc/20/16/24/818201624.db2.gz FXJHLOKKIKVLMR-CQSZACIVSA-N 1 1 284.403 3.071 20 10 CGCDMO CC[N@@H+]1CCN(Cc2ccc3ccccc3c2O)[C@H](C)C1 ZINC001231883002 818201627 /nfs/dbraw/zinc/20/16/27/818201627.db2.gz FXJHLOKKIKVLMR-CQSZACIVSA-N 1 1 284.403 3.071 20 10 CGCDMO CC[N@H+]1CCN(Cc2ccc3ccccc3c2O)[C@H](C)C1 ZINC001231883002 818201631 /nfs/dbraw/zinc/20/16/31/818201631.db2.gz FXJHLOKKIKVLMR-CQSZACIVSA-N 1 1 284.403 3.071 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CCC[C@@H](F)CC2)cc1Cl ZINC001232258617 818294945 /nfs/dbraw/zinc/29/49/45/818294945.db2.gz AZSHCHFVAVEBJZ-SNVBAGLBSA-N 1 1 273.735 3.075 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2cc(Cl)c(O)cc2O)[C@H]1C ZINC001232267539 818296937 /nfs/dbraw/zinc/29/69/37/818296937.db2.gz ISZOZXBIWWBROT-UWVGGRQHSA-N 1 1 269.772 3.372 20 10 CGCDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232268282 818298377 /nfs/dbraw/zinc/29/83/77/818298377.db2.gz NTAQPFXVFBUVLA-CQSZACIVSA-N 1 1 299.798 3.141 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC(F)(F)C(C)(C)C2)c(O)c1 ZINC001232835959 818452305 /nfs/dbraw/zinc/45/23/05/818452305.db2.gz IWISQKPUCBXJGQ-UHFFFAOYSA-N 1 1 298.377 3.325 20 10 CGCDMO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)CCC[C@@H]1C ZINC001232834853 818452403 /nfs/dbraw/zinc/45/24/03/818452403.db2.gz OSTUFCNUHJBBGJ-KBPBESRZSA-N 1 1 276.424 3.326 20 10 CGCDMO CCC(CC)[N@@H+](CC)Cc1ccc(N(C)C)cc1O ZINC001232840567 818453582 /nfs/dbraw/zinc/45/35/82/818453582.db2.gz ZSCVOPUJACMFJC-UHFFFAOYSA-N 1 1 264.413 3.469 20 10 CGCDMO CC1(C)C[N@H+](Cc2cc(O)c(O)c(O)c2)Cc2ccccc21 ZINC001233015417 818502819 /nfs/dbraw/zinc/50/28/19/818502819.db2.gz MYTBGFRHCARRFK-UHFFFAOYSA-N 1 1 299.370 3.097 20 10 CGCDMO CC1(C)C[N@@H+](Cc2cc(O)c(O)c(O)c2)Cc2ccccc21 ZINC001233015417 818502822 /nfs/dbraw/zinc/50/28/22/818502822.db2.gz MYTBGFRHCARRFK-UHFFFAOYSA-N 1 1 299.370 3.097 20 10 CGCDMO CC[N@@H+](Cc1[nH]nc2cc(F)ccc21)Cc1ccccc1O ZINC001233127658 818528914 /nfs/dbraw/zinc/52/89/14/818528914.db2.gz ZWJDCPBCRDYWBU-UHFFFAOYSA-N 1 1 299.349 3.430 20 10 CGCDMO [O-]c1ccc(F)c(F)c1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001233335272 818584183 /nfs/dbraw/zinc/58/41/83/818584183.db2.gz OHXXXMLWDBNOGD-ZWNOBZJWSA-N 1 1 267.319 3.435 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC001233335272 818584191 /nfs/dbraw/zinc/58/41/91/818584191.db2.gz OHXXXMLWDBNOGD-ZWNOBZJWSA-N 1 1 267.319 3.435 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001233335272 818584200 /nfs/dbraw/zinc/58/42/00/818584200.db2.gz OHXXXMLWDBNOGD-ZWNOBZJWSA-N 1 1 267.319 3.435 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2c([O-])ccc(F)c2F)C2(CC2)C1 ZINC001233336094 818588663 /nfs/dbraw/zinc/58/86/63/818588663.db2.gz YGEDKWMMQDKHNW-VIFPVBQESA-N 1 1 253.292 3.045 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2c(O)ccc(F)c2F)C2(CC2)C1 ZINC001233336094 818588667 /nfs/dbraw/zinc/58/86/67/818588667.db2.gz YGEDKWMMQDKHNW-VIFPVBQESA-N 1 1 253.292 3.045 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2c(O)ccc(F)c2F)C2(CC2)C1 ZINC001233336094 818588669 /nfs/dbraw/zinc/58/86/69/818588669.db2.gz YGEDKWMMQDKHNW-VIFPVBQESA-N 1 1 253.292 3.045 20 10 CGCDMO Oc1c(C[NH+]2CCCCC2)cccc1C(F)(F)F ZINC001233415856 818613155 /nfs/dbraw/zinc/61/31/55/818613155.db2.gz LAFFLJFBMCBYDO-UHFFFAOYSA-N 1 1 259.271 3.397 20 10 CGCDMO C[C@H]1CCC[N@@H+]1Cc1cccc(C(F)(F)F)c1O ZINC001233415656 818613864 /nfs/dbraw/zinc/61/38/64/818613864.db2.gz DKRFOINRISLMBB-VIFPVBQESA-N 1 1 259.271 3.395 20 10 CGCDMO C[C@H]1CCC[N@H+]1Cc1cccc(C(F)(F)F)c1O ZINC001233415656 818613869 /nfs/dbraw/zinc/61/38/69/818613869.db2.gz DKRFOINRISLMBB-VIFPVBQESA-N 1 1 259.271 3.395 20 10 CGCDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc(O)c(O)cc2O)c1 ZINC001233482200 818625468 /nfs/dbraw/zinc/62/54/68/818625468.db2.gz DVQPWKQMILZFMJ-HNNXBMFYSA-N 1 1 299.370 3.449 20 10 CGCDMO CC[C@H](c1ccccc1)[N@@H+](C)Cc1cc(O)c(O)cc1O ZINC001233486460 818625692 /nfs/dbraw/zinc/62/56/92/818625692.db2.gz NRFKGJZJKKWLRF-CQSZACIVSA-N 1 1 287.359 3.387 20 10 CGCDMO Oc1c(C[N@H+]2CCC3(CC3)C2)cccc1OC(F)(F)F ZINC001233736307 818694455 /nfs/dbraw/zinc/69/44/55/818694455.db2.gz HBXZTGPIJAKAPZ-UHFFFAOYSA-N 1 1 287.281 3.277 20 10 CGCDMO CN(CCC[NH+](C)C)Cc1ccc(C(C)(C)C)cc1O ZINC001235676772 819136255 /nfs/dbraw/zinc/13/62/55/819136255.db2.gz UGICERGVWBBGLD-UHFFFAOYSA-N 1 1 278.440 3.073 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)c(O)c1 ZINC001235684456 819141982 /nfs/dbraw/zinc/14/19/82/819141982.db2.gz XQMYASLGLGVMJK-DYVFJYSZSA-N 1 1 289.419 3.301 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+](CCN)C(C)C)cc1 ZINC001235947912 819238541 /nfs/dbraw/zinc/23/85/41/819238541.db2.gz HSQBLSLKXAWMAC-UHFFFAOYSA-N 1 1 285.435 3.263 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+](CCN)C(C)C)cc1 ZINC001235947912 819238547 /nfs/dbraw/zinc/23/85/47/819238547.db2.gz HSQBLSLKXAWMAC-UHFFFAOYSA-N 1 1 285.435 3.263 20 10 CGCDMO CCC[C@@H]1CNCC[N@@H+]1Cc1ccc(N(CC)CC)cc1 ZINC001236132962 819336766 /nfs/dbraw/zinc/33/67/66/819336766.db2.gz SUJRTHHYMVNENA-GOSISDBHSA-N 1 1 289.467 3.107 20 10 CGCDMO CCC[C@@H]1CNCC[N@H+]1Cc1ccc(N(CC)CC)cc1 ZINC001236132962 819336772 /nfs/dbraw/zinc/33/67/72/819336772.db2.gz SUJRTHHYMVNENA-GOSISDBHSA-N 1 1 289.467 3.107 20 10 CGCDMO CN(Cc1cc(C(C)(C)C)ccc1O)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217874 819384787 /nfs/dbraw/zinc/38/47/87/819384787.db2.gz QQSFYDILULPRSR-CVEARBPZSA-N 1 1 290.451 3.391 20 10 CGCDMO COc1ccc2c(c1)C[N@H+](Cc1ccc(N)cc1)CCC2 ZINC001236432869 819477069 /nfs/dbraw/zinc/47/70/69/819477069.db2.gz DURYTZGVIOWTKE-UHFFFAOYSA-N 1 1 282.387 3.226 20 10 CGCDMO CCc1ccc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c(O)c1 ZINC001236788831 819595060 /nfs/dbraw/zinc/59/50/60/819595060.db2.gz RCCVGYYAOXCHQU-QGZVFWFLSA-N 1 1 298.386 3.003 20 10 CGCDMO CCc1ccc(C[N@@H+](C)Cc2cccc3c2OCO3)c(O)c1 ZINC001236788586 819595808 /nfs/dbraw/zinc/59/58/08/819595808.db2.gz PKLOSPVATKFXPR-UHFFFAOYSA-N 1 1 299.370 3.315 20 10 CGCDMO C[C@]1(O)CCC[N@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236795545 819596844 /nfs/dbraw/zinc/59/68/44/819596844.db2.gz GFSSQSYTSODUCL-ZDUSSCGKSA-N 1 1 290.190 3.046 20 10 CGCDMO C[C@]1(O)CCC[N@@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236795545 819596847 /nfs/dbraw/zinc/59/68/47/819596847.db2.gz GFSSQSYTSODUCL-ZDUSSCGKSA-N 1 1 290.190 3.046 20 10 CGCDMO COc1cc(O)c(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c(Cl)c1 ZINC001236796505 819597389 /nfs/dbraw/zinc/59/73/89/819597389.db2.gz WNAJPNSLJNMIFR-PHIMTYICSA-N 1 1 281.783 3.286 20 10 CGCDMO CC[N@H+](Cc1cc(Cl)c(Cl)cc1O)CC(C)(C)O ZINC001236800512 819599821 /nfs/dbraw/zinc/59/98/21/819599821.db2.gz VDNVSBXWHLQGDA-UHFFFAOYSA-N 1 1 292.206 3.292 20 10 CGCDMO CC[N@@H+](Cc1cc(Cl)c(Cl)cc1O)CC(C)(C)O ZINC001236800512 819599827 /nfs/dbraw/zinc/59/98/27/819599827.db2.gz VDNVSBXWHLQGDA-UHFFFAOYSA-N 1 1 292.206 3.292 20 10 CGCDMO CC[N@@H+](Cc1c(O)cc(OC)cc1Cl)C1CC1 ZINC001236799677 819599970 /nfs/dbraw/zinc/59/99/70/819599970.db2.gz VMUWBFYLGKXUQT-UHFFFAOYSA-N 1 1 255.745 3.039 20 10 CGCDMO COc1ccc(C[NH+]2CCC(C)CC2)c(O)c1Cl ZINC001236800843 819600153 /nfs/dbraw/zinc/60/01/53/819600153.db2.gz AHSCZYUUAUQTRL-UHFFFAOYSA-N 1 1 269.772 3.286 20 10 CGCDMO COc1ccc(C[N@@H+]2CC[C@@H](OC(C)C)C2)c(O)c1Cl ZINC001236807090 819601967 /nfs/dbraw/zinc/60/19/67/819601967.db2.gz MKHIQBZCGXMELL-GFCCVEGCSA-N 1 1 299.798 3.054 20 10 CGCDMO COc1ccc(C[N@H+]2CC[C@@H](OC(C)C)C2)c(O)c1Cl ZINC001236807090 819601971 /nfs/dbraw/zinc/60/19/71/819601971.db2.gz MKHIQBZCGXMELL-GFCCVEGCSA-N 1 1 299.798 3.054 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCCC[C@H](F)C2)c(O)c1 ZINC001236808063 819603061 /nfs/dbraw/zinc/60/30/61/819603061.db2.gz LHLBYOWYUYOWJP-LBPRGKRZSA-N 1 1 267.344 3.033 20 10 CGCDMO O=C1CCC[C@@H]2C[N@H+](Cc3cc4ccccc4cc3O)C[C@H]12 ZINC001236835768 819614634 /nfs/dbraw/zinc/61/46/34/819614634.db2.gz RVFHIMUZXCIYLC-WBVHZDCISA-N 1 1 295.382 3.346 20 10 CGCDMO CC[N@@H+](Cc1cc2ccccc2cc1O)C1CCN(C)CC1 ZINC001236838758 819616913 /nfs/dbraw/zinc/61/69/13/819616913.db2.gz BVGRDAIUBOZVFQ-UHFFFAOYSA-N 1 1 298.430 3.462 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC001236836599 819617058 /nfs/dbraw/zinc/61/70/58/819617058.db2.gz LHPAIOYQRDHYDN-KRWDZBQOSA-N 1 1 283.371 3.156 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCOCC23CCC3)c(O)c1 ZINC001237047953 819649912 /nfs/dbraw/zinc/64/99/12/819649912.db2.gz BBWFGQAVAXLRJA-UHFFFAOYSA-N 1 1 275.392 3.271 20 10 CGCDMO CCN(CC)CC[N@H+](C)Cc1ccc(C(C)C)cc1O ZINC001237047020 819650008 /nfs/dbraw/zinc/65/00/08/819650008.db2.gz JQSSUDQHMQNYEN-UHFFFAOYSA-N 1 1 278.440 3.289 20 10 CGCDMO CCN(CC)CC[N@@H+](C)Cc1ccc(C(C)C)cc1O ZINC001237047020 819650013 /nfs/dbraw/zinc/65/00/13/819650013.db2.gz JQSSUDQHMQNYEN-UHFFFAOYSA-N 1 1 278.440 3.289 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](O)[C@@H](C)C2)c(O)c1 ZINC001237044415 819651021 /nfs/dbraw/zinc/65/10/21/819651021.db2.gz CSGMBDXZFOBRSB-XJKSGUPXSA-N 1 1 277.408 3.108 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)c(O)c1 ZINC001237056264 819654016 /nfs/dbraw/zinc/65/40/16/819654016.db2.gz VXGVGABQGOGUHK-CHWSQXEVSA-N 1 1 263.381 3.125 20 10 CGCDMO OC[C@@H]1CCCC[N@@H+]1Cc1c(O)ccc(Cl)c1Cl ZINC001237077487 819660206 /nfs/dbraw/zinc/66/02/06/819660206.db2.gz ICXBPUDCJKQUDV-VIFPVBQESA-N 1 1 290.190 3.046 20 10 CGCDMO OC[C@@H]1CCCC[N@H+]1Cc1c(O)ccc(Cl)c1Cl ZINC001237077487 819660212 /nfs/dbraw/zinc/66/02/12/819660212.db2.gz ICXBPUDCJKQUDV-VIFPVBQESA-N 1 1 290.190 3.046 20 10 CGCDMO Oc1cccc(OC(F)(F)F)c1C[N@H+]1CCC2(CC2)C1 ZINC001237115831 819671515 /nfs/dbraw/zinc/67/15/15/819671515.db2.gz IUNPXMPNRRWIFG-UHFFFAOYSA-N 1 1 287.281 3.277 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237119041 819671980 /nfs/dbraw/zinc/67/19/80/819671980.db2.gz ADBIHQGPEJNWPD-VIFPVBQESA-N 1 1 257.736 3.417 20 10 CGCDMO Oc1ccc(F)c(Cl)c1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001237125977 819672949 /nfs/dbraw/zinc/67/29/49/819672949.db2.gz XMSNIHYVFBTVAU-DKCNOQQISA-N 1 1 273.710 3.117 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCNC3=CCCC[C@H]32)c1O ZINC001237229912 819707319 /nfs/dbraw/zinc/70/73/19/819707319.db2.gz QUEZXNQAEQQONY-OAHLLOKOSA-N 1 1 292.810 3.196 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCNC3=CCCC[C@H]32)c1O ZINC001237229912 819707324 /nfs/dbraw/zinc/70/73/24/819707324.db2.gz QUEZXNQAEQQONY-OAHLLOKOSA-N 1 1 292.810 3.196 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001237485771 819761734 /nfs/dbraw/zinc/76/17/34/819761734.db2.gz SHFCTIUURSMIEK-CYBMUJFWSA-N 1 1 291.288 3.425 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c(O)c(OC)c1 ZINC001237670229 819803329 /nfs/dbraw/zinc/80/33/29/819803329.db2.gz QYLZWFWGYDIISW-OLZOCXBDSA-N 1 1 291.391 3.031 20 10 CGCDMO CCC[N@@H+](CCOC)Cc1cc(Cl)cc(C)c1O ZINC001237680501 819805470 /nfs/dbraw/zinc/80/54/70/819805470.db2.gz CGHXCAZUQGBSMS-UHFFFAOYSA-N 1 1 271.788 3.212 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(CCCO3)C2)c1O ZINC001237680486 819806129 /nfs/dbraw/zinc/80/61/29/819806129.db2.gz CAWGZSVSPCVBDK-OAHLLOKOSA-N 1 1 281.783 3.109 20 10 CGCDMO CC[N@@H+](CCn1ccnc1)Cc1cc(Cl)cc(C)c1O ZINC001237688302 819808911 /nfs/dbraw/zinc/80/89/11/819808911.db2.gz HNXWSWOKIKZMET-UHFFFAOYSA-N 1 1 293.798 3.073 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@@H+]1CCC2(CC2)C1 ZINC001237933569 819886080 /nfs/dbraw/zinc/88/60/80/819886080.db2.gz CYEOFZOXXRPTCJ-UHFFFAOYSA-N 1 1 255.720 3.171 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@H+]1CCC2(CC2)C1 ZINC001237933569 819886092 /nfs/dbraw/zinc/88/60/92/819886092.db2.gz CYEOFZOXXRPTCJ-UHFFFAOYSA-N 1 1 255.720 3.171 20 10 CGCDMO CCC[N@H+](CCCN(C)C)Cc1cc(F)cc(C)c1O ZINC001238067370 819922797 /nfs/dbraw/zinc/92/27/97/819922797.db2.gz OQRYVARLCOJLJX-UHFFFAOYSA-N 1 1 282.403 3.003 20 10 CGCDMO CCC[N@@H+](CCCN(C)C)Cc1cc(F)cc(C)c1O ZINC001238067370 819922799 /nfs/dbraw/zinc/92/27/99/819922799.db2.gz OQRYVARLCOJLJX-UHFFFAOYSA-N 1 1 282.403 3.003 20 10 CGCDMO Cc1ccc(O)cc1C[N@H+](C)Cc1ccccc1O ZINC001238102849 819933375 /nfs/dbraw/zinc/93/33/75/819933375.db2.gz KEYWNZJJNFZDBM-UHFFFAOYSA-N 1 1 257.333 3.038 20 10 CGCDMO CC(C)Oc1cncc(C[N@@H+](C)Cc2ccccc2O)c1 ZINC001238472050 820013116 /nfs/dbraw/zinc/01/31/16/820013116.db2.gz SQBPRHNRNPRRNN-UHFFFAOYSA-N 1 1 286.375 3.206 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@@H](CO)C(C)(C)C ZINC001341569692 936442875 /nfs/dbraw/zinc/44/28/75/936442875.db2.gz TVUDCDSFNCQYJM-KRWDZBQOSA-N 1 1 290.451 3.126 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)cc1C ZINC001347237386 936874963 /nfs/dbraw/zinc/87/49/63/936874963.db2.gz JQVGLCIGQOWEGX-KGLIPLIRSA-N 1 1 263.381 3.008 20 10 CGCDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ccc(N)cc1 ZINC001352791097 937049793 /nfs/dbraw/zinc/04/97/93/937049793.db2.gz UXXBPOZBDMQDEM-ZDUSSCGKSA-N 1 1 272.367 3.471 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001345957107 926696719 /nfs/dbraw/zinc/69/67/19/926696719.db2.gz SFSQZWBYKLSCRX-UHFFFAOYSA-N 1 1 294.826 3.011 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@@](C)(F)[C@H](F)C2)c1O ZINC001140178341 931956985 /nfs/dbraw/zinc/95/69/85/931956985.db2.gz ISKHDSQWGAPTPB-UKRRQHHQSA-N 1 1 269.335 3.281 20 10 CGCDMO COc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C)c(O)c1 ZINC000179911348 932015883 /nfs/dbraw/zinc/01/58/83/932015883.db2.gz BWWFJEKZZQXZCD-CYBMUJFWSA-N 1 1 283.371 3.348 20 10 CGCDMO C[C@@](CO)([NH2+]Cc1cc(F)cc(F)c1O)C1CCCCC1 ZINC001461235613 937571349 /nfs/dbraw/zinc/57/13/49/937571349.db2.gz PUSUKOAQAXFUDM-INIZCTEOSA-N 1 1 299.361 3.091 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@H]1C1CC1 ZINC001461896279 937604724 /nfs/dbraw/zinc/60/47/24/937604724.db2.gz DDWGUGUORZUNLW-ZDUSSCGKSA-N 1 1 251.757 3.420 20 10 CGCDMO Cc1cccc(CCC[NH2+]Cc2cc(F)c(F)cc2O)n1 ZINC001462220401 937626000 /nfs/dbraw/zinc/62/60/00/937626000.db2.gz KGHKXLWBQHFNSG-UHFFFAOYSA-N 1 1 292.329 3.096 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC(C)(C)CC[C@@H]2CO)cc1Cl ZINC001462531194 937648067 /nfs/dbraw/zinc/64/80/67/937648067.db2.gz CXXOLQJLKABBIH-CYBMUJFWSA-N 1 1 297.826 3.337 20 10 CGCDMO CCC[C@]1(CO)CCC[N@H+]1Cc1ccc(N(C)C)cc1C ZINC001308729282 933165444 /nfs/dbraw/zinc/16/54/44/933165444.db2.gz SRNFICCVIABELG-GOSISDBHSA-N 1 1 290.451 3.188 20 10 CGCDMO CC(C)O[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001308851625 933190661 /nfs/dbraw/zinc/19/06/61/933190661.db2.gz SMCJOKIQPVTLQN-AWEZNQCLSA-N 1 1 283.799 3.435 20 10 CGCDMO CC[C@]1(CO)CCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001320677359 934084851 /nfs/dbraw/zinc/08/48/51/934084851.db2.gz SZZNYVPQYSZBMB-GOSISDBHSA-N 1 1 288.435 3.024 20 10 CGCDMO CC(C)[C@@]1(CO)CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001324555894 934523868 /nfs/dbraw/zinc/52/38/68/934523868.db2.gz YBYQUUAYKCLKLR-IBGZPJMESA-N 1 1 299.414 3.386 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCCC[C@H]1N(C)C)c1c(O)cccc1F ZINC001331251129 935361294 /nfs/dbraw/zinc/36/12/94/935361294.db2.gz CAFBOKVWNPEHOA-FPMFFAJLSA-N 1 1 280.387 3.055 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CCC[C@@H](F)C1 ZINC001331287851 935365168 /nfs/dbraw/zinc/36/51/68/935365168.db2.gz CHLMJDONDMKZGR-KOLCDFICSA-N 1 1 259.271 3.041 20 10 CGCDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(N)cc2)C1 ZINC001334774274 936113009 /nfs/dbraw/zinc/11/30/09/936113009.db2.gz HRGYGCVPBHSAMJ-GJZGRUSLSA-N 1 1 264.438 3.375 20 10 CGCDMO Nc1ccc(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)cc1 ZINC001336118905 936176936 /nfs/dbraw/zinc/17/69/36/936176936.db2.gz MEMBZFAIMLSJQE-AWEZNQCLSA-N 1 1 287.432 3.180 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)cc1Cl ZINC001474390558 937856445 /nfs/dbraw/zinc/85/64/45/937856445.db2.gz HLGNVYQBIGVNBK-DOMZBBRYSA-N 1 1 297.826 3.337 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC001474632105 937871447 /nfs/dbraw/zinc/87/14/47/937871447.db2.gz JAJPECJWUNEFLP-MNOVXSKESA-N 1 1 285.359 3.140 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC001474632105 937871449 /nfs/dbraw/zinc/87/14/49/937871449.db2.gz JAJPECJWUNEFLP-MNOVXSKESA-N 1 1 285.359 3.140 20 10 CGCDMO Cn1c(C[N@H+]2Cc3cccc(O)c3C2)cc2ccccc21 ZINC001474677576 937874389 /nfs/dbraw/zinc/87/43/89/937874389.db2.gz QAQITMHSTPDQSU-UHFFFAOYSA-N 1 1 278.355 3.400 20 10 CGCDMO Cc1cc(C[N@@H+]2C[C@@H](C)OCC[C@H]2C)ccc1N(C)C ZINC001560233146 938248585 /nfs/dbraw/zinc/24/85/85/938248585.db2.gz SIRPULIPIXXUNF-HUUCEWRRSA-N 1 1 276.424 3.060 20 10 CGCDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001560692088 938270575 /nfs/dbraw/zinc/27/05/75/938270575.db2.gz FMUMPRAODFJBHC-GFCCVEGCSA-N 1 1 283.799 3.294 20 10 CGCDMO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(F)c(F)cc1O ZINC001560778509 938275437 /nfs/dbraw/zinc/27/54/37/938275437.db2.gz DCJDIJWKMOTHBR-GOEBONIOSA-N 1 1 299.361 3.354 20 10 CGCDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1O ZINC000290627181 346425410 /nfs/dbraw/zinc/42/54/10/346425410.db2.gz XRMNKWXZVPJQMR-AWEZNQCLSA-N 1 1 289.354 3.208 20 10 CGCDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cccc(F)c1O ZINC000290627181 346425412 /nfs/dbraw/zinc/42/54/12/346425412.db2.gz XRMNKWXZVPJQMR-AWEZNQCLSA-N 1 1 289.354 3.208 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)CC1CCC(=O)CC1 ZINC000295103938 283297472 /nfs/dbraw/zinc/29/74/72/283297472.db2.gz UNFFBRRFPBVYCJ-UHFFFAOYSA-N 1 1 275.392 3.364 20 10 CGCDMO C[N@@H+](Cc1c(O)ccc2ccccc21)[C@@H]1CCSC1 ZINC000125027979 370928904 /nfs/dbraw/zinc/92/89/04/370928904.db2.gz OMKZSKLBNAFNER-CYBMUJFWSA-N 1 1 273.401 3.483 20 10 CGCDMO CCOC(C)(C)C[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000287311898 371638597 /nfs/dbraw/zinc/63/85/97/371638597.db2.gz FBONOTQDWPRNEQ-ZDUSSCGKSA-N 1 1 269.360 3.387 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000289354085 371755434 /nfs/dbraw/zinc/75/54/34/371755434.db2.gz JMUWHHSSHNBNFU-HNNXBMFYSA-N 1 1 271.364 3.151 20 10 CGCDMO CCCOc1ccc(C[N@H+]2CCC[C@H]2CF)c(O)c1 ZINC000293955819 372536285 /nfs/dbraw/zinc/53/62/85/372536285.db2.gz JCEHHPSKSURYSK-ZDUSSCGKSA-N 1 1 267.344 3.115 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000295166177 372696618 /nfs/dbraw/zinc/69/66/18/372696618.db2.gz FMXKFMOTRVGCIL-UHFFFAOYSA-N 1 1 293.414 3.437 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2nccn2CC)cc1 ZINC000296599549 373191271 /nfs/dbraw/zinc/19/12/71/373191271.db2.gz VLPHTTYZCGIMCB-CQSZACIVSA-N 1 1 286.423 3.210 20 10 CGCDMO Oc1ccccc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000179586064 373890152 /nfs/dbraw/zinc/89/01/52/373890152.db2.gz JMVBIJNOGTVQCN-ZBFHGGJFSA-N 1 1 287.359 3.073 20 10 CGCDMO Cc1cccc(C[N@@H+](C)Cc2ccc(Cl)nc2)c1O ZINC000179664145 373900402 /nfs/dbraw/zinc/90/04/02/373900402.db2.gz PECZKZZEVBBFGB-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)CCc2cccs2)c1 ZINC000180476649 374013263 /nfs/dbraw/zinc/01/32/63/374013263.db2.gz FTCGWSBDFSFGBP-UHFFFAOYSA-N 1 1 277.389 3.137 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCCC[C@H](C)C2)cc1OC ZINC000187517844 375033898 /nfs/dbraw/zinc/03/38/98/375033898.db2.gz VSLOWJUUDNAVEO-LBPRGKRZSA-N 1 1 279.380 3.031 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCS[C@H](C)CC2)c1 ZINC000190700394 375532676 /nfs/dbraw/zinc/53/26/76/375532676.db2.gz XOYSLEBYXGSNSC-GFCCVEGCSA-N 1 1 251.395 3.028 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC000228172662 376430673 /nfs/dbraw/zinc/43/06/73/376430673.db2.gz FXFVEVNCMHOBHV-IUODEOHRSA-N 1 1 261.365 3.165 20 10 CGCDMO COC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)c1ccco1 ZINC000266977396 378029205 /nfs/dbraw/zinc/02/92/05/378029205.db2.gz RJKRDJNFPPZBBO-CQSZACIVSA-N 1 1 275.348 3.074 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cscn1 ZINC000271027846 378432595 /nfs/dbraw/zinc/43/25/95/378432595.db2.gz BHCUYTKOGRKYHE-JTQLQIEISA-N 1 1 279.384 3.199 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cccs2)c1 ZINC000273389113 378744161 /nfs/dbraw/zinc/74/41/61/378744161.db2.gz KHIOBMBUIWULBW-JTQLQIEISA-N 1 1 291.372 3.091 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC=C(c3ccnn3C)CC2)cc1C ZINC000285178512 380144979 /nfs/dbraw/zinc/14/49/79/380144979.db2.gz UMJRZBSFXSCXEM-UHFFFAOYSA-N 1 1 297.402 3.032 20 10 CGCDMO CC[C@H]([NH2+]Cc1ccn(C)c1)c1ccc(F)cc1O ZINC000286176425 380170645 /nfs/dbraw/zinc/17/06/45/380170645.db2.gz QPIOTUFAXTZVKS-AWEZNQCLSA-N 1 1 262.328 3.111 20 10 CGCDMO CC[C@H]([NH2+]CCCCCOC)c1ccc(F)cc1O ZINC000285924978 380153127 /nfs/dbraw/zinc/15/31/27/380153127.db2.gz DXZBCEXXGSOOLM-AWEZNQCLSA-N 1 1 269.360 3.389 20 10 CGCDMO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3c[nH]nc32)c(O)c1C ZINC000363865387 382259566 /nfs/dbraw/zinc/25/95/66/382259566.db2.gz NDIWTQCLLHPRQC-DOMZBBRYSA-N 1 1 285.391 3.460 20 10 CGCDMO CCCO[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2O)CC1 ZINC000093317406 392237583 /nfs/dbraw/zinc/23/75/83/392237583.db2.gz UJNNKYCRPJHEIA-OAHLLOKOSA-N 1 1 293.407 3.182 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H]1CCCN1CC)c1ccc(F)cc1O ZINC000285685518 392328553 /nfs/dbraw/zinc/32/85/53/392328553.db2.gz OESWJATWTAELAV-UKRRQHHQSA-N 1 1 280.387 3.056 20 10 CGCDMO Cc1c(C[N@@H+](C)Cc2ccccc2O)cccc1[N+](=O)[O-] ZINC000109769067 392372675 /nfs/dbraw/zinc/37/26/75/392372675.db2.gz WGVSFCKHQVBSRV-UHFFFAOYSA-N 1 1 286.331 3.241 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1ccc(N(C)C)cc1 ZINC000374469359 392679813 /nfs/dbraw/zinc/67/98/13/392679813.db2.gz QBLAWPILYOAXHH-WBVHZDCISA-N 1 1 298.434 3.074 20 10 CGCDMO CCCOc1ccc(C[N@H+]2CCC[C@@H](COC)C2)c(O)c1 ZINC000093337932 260275128 /nfs/dbraw/zinc/27/51/28/260275128.db2.gz FTXWEIMZILYLOZ-CQSZACIVSA-N 1 1 293.407 3.039 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccc(F)cc1O ZINC000157930416 261155602 /nfs/dbraw/zinc/15/56/02/261155602.db2.gz IITNXTGYAYSKEY-HICWGWBUSA-N 1 1 279.355 3.140 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)Cc2ccccc2F)c1 ZINC000179565976 261797252 /nfs/dbraw/zinc/79/72/52/261797252.db2.gz JHINEWBVLMUJNM-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO CC[N@@H+](Cc1cc(Cl)cc(OC)c1O)C1CC1 ZINC000184679162 262025997 /nfs/dbraw/zinc/02/59/97/262025997.db2.gz XRTCEZAJANAURC-UHFFFAOYSA-N 1 1 255.745 3.039 20 10 CGCDMO Cc1ccc([C@H](C)[NH2+]C2CCN(CC3CC3)CC2)c(O)c1 ZINC000185075185 262040532 /nfs/dbraw/zinc/04/05/32/262040532.db2.gz MPHSYLPPBDUOLT-AWEZNQCLSA-N 1 1 288.435 3.226 20 10 CGCDMO C[C@@H]([NH2+]CC[C@H]1CCCCO1)c1ccc(F)cc1O ZINC000186515311 262316242 /nfs/dbraw/zinc/31/62/42/262316242.db2.gz UTKJYFJVAOLOJN-DGCLKSJQSA-N 1 1 267.344 3.141 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000291504590 275061633 /nfs/dbraw/zinc/06/16/33/275061633.db2.gz HQZVCTKSJLKSOQ-KRWDZBQOSA-N 1 1 294.398 3.029 20 10 CGCDMO CC[C@@H]([NH2+]CC[C@H]1CCCOC1)c1ccc(F)cc1O ZINC000527922893 330296002 /nfs/dbraw/zinc/29/60/02/330296002.db2.gz BXHBOJJZKMHPDH-IUODEOHRSA-N 1 1 281.371 3.389 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H]2CCSC2)c1O ZINC000050133447 518278808 /nfs/dbraw/zinc/27/88/08/518278808.db2.gz UTUVWFVLOUFVRU-LBPRGKRZSA-N 1 1 299.823 3.186 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H]2CCSC2)c1O ZINC000050133447 518278812 /nfs/dbraw/zinc/27/88/12/518278812.db2.gz UTUVWFVLOUFVRU-LBPRGKRZSA-N 1 1 299.823 3.186 20 10 CGCDMO CC[N@@H+](Cc1cc(-c2ccccc2)ccc1O)[C@H](C)CO ZINC000292807175 521283754 /nfs/dbraw/zinc/28/37/54/521283754.db2.gz OHEYGTGIXWPNAN-CQSZACIVSA-N 1 1 285.387 3.262 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@@H](C)c1cccnc1 ZINC000290661607 521386339 /nfs/dbraw/zinc/38/63/39/521386339.db2.gz ZSHGEIMQAYZIEX-ZDUSSCGKSA-N 1 1 256.349 3.370 20 10 CGCDMO COC1CCC([N@@H+](C)Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293065537 522687109 /nfs/dbraw/zinc/68/71/09/522687109.db2.gz LJLCBEUWNRECCO-UHFFFAOYSA-N 1 1 290.451 3.450 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)Cc1cc(C)[nH]n1)c1ccc(C)cc1O ZINC000280026490 522908686 /nfs/dbraw/zinc/90/86/86/522908686.db2.gz HSRKRSAUEHVYMP-BLLLJJGKSA-N 1 1 287.407 3.404 20 10 CGCDMO COCCCC[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000265411354 523141826 /nfs/dbraw/zinc/14/18/26/523141826.db2.gz UMCBGZMSFWEOBV-UHFFFAOYSA-N 1 1 278.440 3.390 20 10 CGCDMO CN1CC[C@]2(CC[N@H+](Cc3c(O)ccc4ccccc43)C2)C1 ZINC000291856119 523994944 /nfs/dbraw/zinc/99/49/44/523994944.db2.gz IGKAFAAROGUVGI-IBGZPJMESA-N 1 1 296.414 3.073 20 10 CGCDMO CN1CC[C@]2(CC[N@@H+](Cc3c(O)ccc4ccccc43)C2)C1 ZINC000291856119 523994946 /nfs/dbraw/zinc/99/49/46/523994946.db2.gz IGKAFAAROGUVGI-IBGZPJMESA-N 1 1 296.414 3.073 20 10 CGCDMO Cc1cccc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1O ZINC000290947594 524385883 /nfs/dbraw/zinc/38/58/83/524385883.db2.gz QJAOXEGVLKMTRQ-DOTOQJQBSA-N 1 1 287.403 3.234 20 10 CGCDMO c1cc2c(nc[nH+]c2NCc2ccc(N3CCCC3)cc2)[nH]1 ZINC000299691784 526443142 /nfs/dbraw/zinc/44/31/42/526443142.db2.gz USHZKHHZKCHIBM-UHFFFAOYSA-N 1 1 293.374 3.170 20 10 CGCDMO Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000290354548 527408496 /nfs/dbraw/zinc/40/84/96/527408496.db2.gz GJUGKHHBMCTKMY-UHFFFAOYSA-N 1 1 293.798 3.073 20 10 CGCDMO Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000290354548 527408499 /nfs/dbraw/zinc/40/84/99/527408499.db2.gz GJUGKHHBMCTKMY-UHFFFAOYSA-N 1 1 293.798 3.073 20 10 CGCDMO CCOCCC[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000741804966 572531575 /nfs/dbraw/zinc/53/15/75/572531575.db2.gz KFMKQAPFMTXRRN-UHFFFAOYSA-N 1 1 278.440 3.390 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CC2(C)COC2)cc1 ZINC000743839680 572687037 /nfs/dbraw/zinc/68/70/37/572687037.db2.gz RPPMHLPMTFMVHA-UHFFFAOYSA-N 1 1 276.424 3.001 20 10 CGCDMO CCC[C@@H](C(=O)OCC)[N@@H+](CCC)Cc1ccccc1O ZINC000743870687 572694635 /nfs/dbraw/zinc/69/46/35/572694635.db2.gz ZUDZOBBHNHQWCB-HNNXBMFYSA-N 1 1 293.407 3.336 20 10 CGCDMO CC[N@H+](Cc1nccn1C1CC1)Cc1ccc(N(C)C)cc1 ZINC000891437223 618205072 /nfs/dbraw/zinc/20/50/72/618205072.db2.gz UFSZXNKLIFISDL-UHFFFAOYSA-N 1 1 298.434 3.306 20 10 CGCDMO CC[N@@H+](Cc1nccn1C1CC1)Cc1ccc(N(C)C)cc1 ZINC000891437223 618205075 /nfs/dbraw/zinc/20/50/75/618205075.db2.gz UFSZXNKLIFISDL-UHFFFAOYSA-N 1 1 298.434 3.306 20 10 CGCDMO CCC(C)(C)OCC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000308688400 618342206 /nfs/dbraw/zinc/34/22/06/618342206.db2.gz CZMOHCOTSIEKBV-NSHDSACASA-N 1 1 269.360 3.387 20 10 CGCDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000184984857 625286873 /nfs/dbraw/zinc/28/68/73/625286873.db2.gz AJPGVFLRTNNSHX-JSGCOSHPSA-N 1 1 263.381 3.330 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c1O ZINC000161842225 618722786 /nfs/dbraw/zinc/72/27/86/618722786.db2.gz VMMWPODUQLXCPK-MNOVXSKESA-N 1 1 279.355 3.212 20 10 CGCDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2O)C1(C)C ZINC000179560816 618794862 /nfs/dbraw/zinc/79/48/62/618794862.db2.gz KECXUVKSZMOZSY-GJZGRUSLSA-N 1 1 263.381 3.028 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)[C@@H](C)C1 ZINC000310601833 618813450 /nfs/dbraw/zinc/81/34/50/618813450.db2.gz BPYCOEZNGJWADE-GWCFXTLKSA-N 1 1 269.772 3.045 20 10 CGCDMO COC1([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2O)CCC1 ZINC000840884436 618871950 /nfs/dbraw/zinc/87/19/50/618871950.db2.gz MRAFXCOROQAORO-GHMZBOCLSA-N 1 1 267.344 3.140 20 10 CGCDMO CCC[N@@H+](CCc1c(C)noc1C)Cc1ccccc1O ZINC000166204466 618902822 /nfs/dbraw/zinc/90/28/22/618902822.db2.gz NVOCMLZLFGOPCV-UHFFFAOYSA-N 1 1 288.391 3.452 20 10 CGCDMO CC(C)[N@@H+](CCc1nccs1)Cc1cc(F)ccc1O ZINC000180221685 619014023 /nfs/dbraw/zinc/01/40/23/619014023.db2.gz FIVXQDQFBJKZCC-UHFFFAOYSA-N 1 1 294.395 3.441 20 10 CGCDMO CC[N@@H+](Cc1ccoc1)Cc1cc(OC)ccc1O ZINC000775674622 619091129 /nfs/dbraw/zinc/09/11/29/619091129.db2.gz GPCUTFRZGASADW-UHFFFAOYSA-N 1 1 261.321 3.016 20 10 CGCDMO COc1ccc(C[N@H+]2CC[C@@H](C(C)(C)C)C2)c(O)c1OC ZINC000893531003 619206290 /nfs/dbraw/zinc/20/62/90/619206290.db2.gz GGGXVNSQKYSNBS-CYBMUJFWSA-N 1 1 293.407 3.277 20 10 CGCDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC000893677099 619277518 /nfs/dbraw/zinc/27/75/18/619277518.db2.gz QBGHNVXQDYIDQP-AAEUAGOBSA-N 1 1 279.380 3.030 20 10 CGCDMO COc1ccc(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)c(O)c1OC ZINC000894178407 619407180 /nfs/dbraw/zinc/40/71/80/619407180.db2.gz NIKZXMRRZBVSCR-CYBMUJFWSA-N 1 1 293.407 3.420 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(F)cc1O ZINC000185377874 625354157 /nfs/dbraw/zinc/35/41/57/625354157.db2.gz VPNOHNXAZJZLDJ-SNVBAGLBSA-N 1 1 288.297 3.393 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@H+](C)Cc2ccns2)cc1 ZINC000895452351 619832394 /nfs/dbraw/zinc/83/23/94/619832394.db2.gz JYHDQPHOWOBWCZ-SNAWJCMRSA-N 1 1 287.432 3.354 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)Cc2ccns2)cc1 ZINC000895452351 619832396 /nfs/dbraw/zinc/83/23/96/619832396.db2.gz JYHDQPHOWOBWCZ-SNAWJCMRSA-N 1 1 287.432 3.354 20 10 CGCDMO CC(C)Cn1ccnc1C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185545894 625374744 /nfs/dbraw/zinc/37/47/44/625374744.db2.gz ZLBDOFIPKGNMJO-GFCCVEGCSA-N 1 1 291.370 3.235 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](c3nccs3)C2)c1 ZINC000895581598 619856450 /nfs/dbraw/zinc/85/64/50/619856450.db2.gz CDJHIXPGCPLIOG-LBPRGKRZSA-N 1 1 274.389 3.147 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000895581602 619856477 /nfs/dbraw/zinc/85/64/77/619856477.db2.gz CDQDQCLULGNUAX-SNVBAGLBSA-N 1 1 294.807 3.492 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000895680522 619872201 /nfs/dbraw/zinc/87/22/01/619872201.db2.gz MTUCLQWZXWWYFS-CABCVRRESA-N 1 1 299.773 3.376 20 10 CGCDMO [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895847216 619895921 /nfs/dbraw/zinc/89/59/21/619895921.db2.gz NBISRYUNVZUYJN-HZMBPMFUSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895847216 619895923 /nfs/dbraw/zinc/89/59/23/619895923.db2.gz NBISRYUNVZUYJN-HZMBPMFUSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895847216 619895924 /nfs/dbraw/zinc/89/59/24/619895924.db2.gz NBISRYUNVZUYJN-HZMBPMFUSA-N 1 1 299.773 3.186 20 10 CGCDMO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1c(O)cccc1F ZINC000896644478 620040439 /nfs/dbraw/zinc/04/04/39/620040439.db2.gz WPLGVUGZGRURNF-SJKOYZFVSA-N 1 1 289.350 3.397 20 10 CGCDMO COc1ccc(CNCC2([NH+](C)C)CCCCC2)cc1C ZINC000035052658 620265570 /nfs/dbraw/zinc/26/55/70/620265570.db2.gz QUVVIMFJANBAID-UHFFFAOYSA-N 1 1 290.451 3.358 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1[O-] ZINC000841744136 620345851 /nfs/dbraw/zinc/34/58/51/620345851.db2.gz FIIYFVBTWHLNMT-YUTCNCBUSA-N 1 1 294.826 3.323 20 10 CGCDMO COc1cccc(O)c1CNc1ccc(C2CC2)c[nH+]1 ZINC000897712117 620422391 /nfs/dbraw/zinc/42/23/91/620422391.db2.gz KMYKFGVCMFOXOG-UHFFFAOYSA-N 1 1 270.332 3.285 20 10 CGCDMO C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cncs1 ZINC000897933546 620448577 /nfs/dbraw/zinc/44/85/77/620448577.db2.gz ZNHPMQQCNOSAHO-ZETCQYMHSA-N 1 1 286.759 3.492 20 10 CGCDMO C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1c(O)cccc1F ZINC000927068645 620569843 /nfs/dbraw/zinc/56/98/43/620569843.db2.gz TZBPFPUYWYMAQR-XTQGRXLLSA-N 1 1 293.382 3.387 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1cncs1)c1c(O)cccc1F ZINC000903305376 621679246 /nfs/dbraw/zinc/67/92/46/621679246.db2.gz LKUGVBMVONEQSS-DTWKUNHWSA-N 1 1 266.341 3.400 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCSC(C)(C)C2)c1O ZINC000083417760 625517064 /nfs/dbraw/zinc/51/70/64/625517064.db2.gz LVFTYHHYACUMHA-UHFFFAOYSA-N 1 1 297.395 3.061 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCSC(C)(C)C2)c1O ZINC000083417760 625517069 /nfs/dbraw/zinc/51/70/69/625517069.db2.gz LVFTYHHYACUMHA-UHFFFAOYSA-N 1 1 297.395 3.061 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000905743050 622104048 /nfs/dbraw/zinc/10/40/48/622104048.db2.gz YRVFLFYXZNMLQJ-LBPRGKRZSA-N 1 1 293.407 3.006 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@H]2C(C)(C)C)c1O ZINC000769312393 625564592 /nfs/dbraw/zinc/56/45/92/625564592.db2.gz LWQLOOWXTMDCGL-AWEZNQCLSA-N 1 1 263.381 3.411 20 10 CGCDMO CCC[N@H+](CC)CCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000156785047 622843977 /nfs/dbraw/zinc/84/39/77/622843977.db2.gz UWLXPBOCIKROOG-OAHLLOKOSA-N 1 1 277.456 3.135 20 10 CGCDMO CCC[N@@H+](CC)CCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000156785047 622843979 /nfs/dbraw/zinc/84/39/79/622843979.db2.gz UWLXPBOCIKROOG-OAHLLOKOSA-N 1 1 277.456 3.135 20 10 CGCDMO CC[N@@H+](Cc1ccn(C)c1)Cc1ccc(N(C)C)cc1 ZINC000156840593 622848801 /nfs/dbraw/zinc/84/88/01/622848801.db2.gz VNPXJHDMDJGWEG-UHFFFAOYSA-N 1 1 271.408 3.113 20 10 CGCDMO C[C@@H]([NH2+]CC1(O)CCCCCC1)c1ccc(F)cc1O ZINC000087088661 623021802 /nfs/dbraw/zinc/02/18/02/623021802.db2.gz MPCLJYVTJCQDHV-GFCCVEGCSA-N 1 1 281.371 3.267 20 10 CGCDMO COc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000188797641 623268441 /nfs/dbraw/zinc/26/84/41/623268441.db2.gz ZGVRIAZHHXIWDE-WDEREUQCSA-N 1 1 290.338 3.347 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cnc3ccccn23)cc1 ZINC000152861707 623725667 /nfs/dbraw/zinc/72/56/67/623725667.db2.gz OVGRVRTVNLZNQX-UHFFFAOYSA-N 1 1 294.402 3.032 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cn1 ZINC000153681050 624021423 /nfs/dbraw/zinc/02/14/23/624021423.db2.gz MDLBBCNRUFJBMD-UHFFFAOYSA-N 1 1 269.392 3.088 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2C(C)(C)O)cc1 ZINC000154476600 624301514 /nfs/dbraw/zinc/30/15/14/624301514.db2.gz ATBLUOTXEJQBIS-KRWDZBQOSA-N 1 1 290.451 3.268 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000179705383 624678434 /nfs/dbraw/zinc/67/84/34/624678434.db2.gz QCHNKUPKTVABED-MRXNPFEDSA-N 1 1 297.398 3.465 20 10 CGCDMO Cc1cccc(C[N@H+]2CCS[C@H](C(C)C)C2)c1O ZINC000180668838 624766697 /nfs/dbraw/zinc/76/66/97/624766697.db2.gz OMAFBKRKPCRJEK-AWEZNQCLSA-N 1 1 265.422 3.274 20 10 CGCDMO Cc1ccc(O)c([C@H](C)[NH2+]CC2(CN(C)C)CCCC2)c1 ZINC000183950023 625179978 /nfs/dbraw/zinc/17/99/78/625179978.db2.gz WIVDBQRRWXBRDN-HNNXBMFYSA-N 1 1 290.451 3.473 20 10 CGCDMO Oc1ccccc1C[N@@H+](CC1=CCCOC1)C1CCCC1 ZINC000093319323 626016997 /nfs/dbraw/zinc/01/69/97/626016997.db2.gz AHGLMRWRVPXDRM-UHFFFAOYSA-N 1 1 287.403 3.484 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000839190843 626327887 /nfs/dbraw/zinc/32/78/87/626327887.db2.gz DUDYYXWUVPTOHE-FUHWJXTLSA-N 1 1 289.419 3.074 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1[O-] ZINC000806138896 626360700 /nfs/dbraw/zinc/36/07/00/626360700.db2.gz DLVQAEUKKQEJCB-WFASDCNBSA-N 1 1 296.842 3.428 20 10 CGCDMO CCCN1CCC([NH2+][C@H](CC)c2ccccc2O)CC1 ZINC000020189866 634503665 /nfs/dbraw/zinc/50/36/65/634503665.db2.gz CSHZDGBLXPHYFV-MRXNPFEDSA-N 1 1 276.424 3.307 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H]2C2CC2)c1O ZINC000754727481 626584859 /nfs/dbraw/zinc/58/48/59/626584859.db2.gz YKOBUMUGVPELPE-AWEZNQCLSA-N 1 1 261.365 3.084 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)c1 ZINC000756342181 626693871 /nfs/dbraw/zinc/69/38/71/626693871.db2.gz OUFNZBRTVOGPHX-SLEUVZQESA-N 1 1 291.391 3.408 20 10 CGCDMO C[C@@H]([NH2+]CCOc1ccccc1F)c1ccc(F)cc1O ZINC000756373172 626697747 /nfs/dbraw/zinc/69/77/47/626697747.db2.gz UOTYLLBMSLOZAB-LLVKDONJSA-N 1 1 293.313 3.400 20 10 CGCDMO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C)C2)c(O)c1C ZINC000756554046 626714572 /nfs/dbraw/zinc/71/45/72/626714572.db2.gz NQYLRSHTKCWGTA-HUUCEWRRSA-N 1 1 276.424 3.001 20 10 CGCDMO C[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1ccc(F)cc1O ZINC000757654499 626797433 /nfs/dbraw/zinc/79/74/33/626797433.db2.gz AXWLBNWRKIDHIV-AGIUHOORSA-N 1 1 281.371 3.387 20 10 CGCDMO COc1cc(Cl)cc(CNc2[nH+]cccc2C)c1O ZINC000761197931 627024261 /nfs/dbraw/zinc/02/42/61/627024261.db2.gz HKLKTYFQFIUNJS-UHFFFAOYSA-N 1 1 278.739 3.370 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](Cc2cccnc2)C2CC2)c1O ZINC000835658345 634575986 /nfs/dbraw/zinc/57/59/86/634575986.db2.gz AZBOVZABDROSMB-UHFFFAOYSA-N 1 1 298.386 3.269 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)Cc1ccccc1C ZINC000768160061 627464115 /nfs/dbraw/zinc/46/41/15/627464115.db2.gz MKIJKBDAWIOXAL-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)Cc2ccco2)c(O)c1 ZINC000768187049 627466991 /nfs/dbraw/zinc/46/69/91/627466991.db2.gz OTPWXNJRNBTPBR-UHFFFAOYSA-N 1 1 261.321 3.016 20 10 CGCDMO CCC[N@@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768242807 627470979 /nfs/dbraw/zinc/47/09/79/627470979.db2.gz CHDBNABUZZHPJD-UHFFFAOYSA-N 1 1 291.395 3.427 20 10 CGCDMO CCC(CC)C[N@@H+](CC)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768439718 627480081 /nfs/dbraw/zinc/48/00/81/627480081.db2.gz MSWLKCBGXDJQDK-INIZCTEOSA-N 1 1 293.407 3.076 20 10 CGCDMO CC[N@H+](Cc1cc2c(cc1O)CCCC2)C[C@@H]1CCOC1 ZINC000768446623 627480462 /nfs/dbraw/zinc/48/04/62/627480462.db2.gz LQMGIMNHSZVSMO-AWEZNQCLSA-N 1 1 289.419 3.129 20 10 CGCDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000768464949 627481168 /nfs/dbraw/zinc/48/11/68/627481168.db2.gz CWPYOVNPOXOQGR-AAEUAGOBSA-N 1 1 279.380 3.030 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](CC)C[C@@H]2CCOC2)cc1 ZINC000768521006 627483074 /nfs/dbraw/zinc/48/30/74/627483074.db2.gz KZNYOOOEYVFWJU-KRWDZBQOSA-N 1 1 290.451 3.391 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2CCOC(C)(C)C2)cc1F ZINC000768841442 627503525 /nfs/dbraw/zinc/50/35/25/627503525.db2.gz HTFQOKJTXIJCGL-UHFFFAOYSA-N 1 1 294.414 3.283 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCOC(C)(C)C2)cc1F ZINC000768841442 627503527 /nfs/dbraw/zinc/50/35/27/627503527.db2.gz HTFQOKJTXIJCGL-UHFFFAOYSA-N 1 1 294.414 3.283 20 10 CGCDMO C[C@H]1CCCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769404098 627549556 /nfs/dbraw/zinc/54/95/56/627549556.db2.gz JAQWLMSGTCTSOH-INIZCTEOSA-N 1 1 288.435 3.288 20 10 CGCDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc(OCC)cc2O)C1 ZINC000769423189 627551143 /nfs/dbraw/zinc/55/11/43/627551143.db2.gz PKTVEARNCGKAGQ-AWEZNQCLSA-N 1 1 293.407 3.039 20 10 CGCDMO CS[C@H]1CCCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000770351732 627615046 /nfs/dbraw/zinc/61/50/46/627615046.db2.gz UVLGPRZWVMENGC-INIZCTEOSA-N 1 1 278.465 3.470 20 10 CGCDMO C[N@@H+](Cc1cn[nH]c1)Cc1ccc(N2CCCCC2)cc1 ZINC000771934830 627746317 /nfs/dbraw/zinc/74/63/17/627746317.db2.gz AVUACXWVQQXSBZ-UHFFFAOYSA-N 1 1 284.407 3.032 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@H]2c2ccccc2)c1O ZINC000771941277 627747677 /nfs/dbraw/zinc/74/76/77/627747677.db2.gz ZMXJKZNPCHUCHU-HNNXBMFYSA-N 1 1 269.344 3.348 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)CCOCC2CC2)cc1 ZINC000773767165 627914153 /nfs/dbraw/zinc/91/41/53/627914153.db2.gz YEPVOQGNRAIFKR-UHFFFAOYSA-N 1 1 276.424 3.001 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@@H](COC)C2)cc1 ZINC000773861963 627920827 /nfs/dbraw/zinc/92/08/27/627920827.db2.gz XNYKSSASANJMPK-QGZVFWFLSA-N 1 1 290.451 3.391 20 10 CGCDMO COC[C@H](C)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774095104 627944530 /nfs/dbraw/zinc/94/45/30/627944530.db2.gz BRRHPJPYLLNTLD-JGVFFNPUSA-N 1 1 278.179 3.385 20 10 CGCDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)CC(C)C ZINC000774838120 628036842 /nfs/dbraw/zinc/03/68/42/628036842.db2.gz ASPCJNZHCXLRMN-UHFFFAOYSA-N 1 1 296.367 3.177 20 10 CGCDMO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)CC(C)C ZINC000774838120 628036848 /nfs/dbraw/zinc/03/68/48/628036848.db2.gz ASPCJNZHCXLRMN-UHFFFAOYSA-N 1 1 296.367 3.177 20 10 CGCDMO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1ccccc1O ZINC000775186012 628070890 /nfs/dbraw/zinc/07/08/90/628070890.db2.gz ZBYXNZWCZAPBNI-QGZVFWFLSA-N 1 1 291.391 3.090 20 10 CGCDMO CCCCC[N@@H+](CCO)Cc1cc(Cl)cc(C)c1O ZINC000775648386 628119282 /nfs/dbraw/zinc/11/92/82/628119282.db2.gz STTJEVQOSZFQRR-UHFFFAOYSA-N 1 1 285.815 3.339 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000777554831 628283218 /nfs/dbraw/zinc/28/32/18/628283218.db2.gz JWDNHIMQQCRQHZ-QGZVFWFLSA-N 1 1 289.419 3.400 20 10 CGCDMO C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1cc(F)ccc1O ZINC000778999662 628381535 /nfs/dbraw/zinc/38/15/35/628381535.db2.gz JGILZSMBLWJTTJ-GFCCVEGCSA-N 1 1 287.334 3.487 20 10 CGCDMO C[N@@H+](CCOc1ccc(F)cc1)Cc1cc(F)ccc1O ZINC000778993828 628381888 /nfs/dbraw/zinc/38/18/88/628381888.db2.gz APAAYQRXJROCCU-UHFFFAOYSA-N 1 1 293.313 3.181 20 10 CGCDMO COCC[N@@H+](Cc1cccs1)Cc1cc(F)ccc1O ZINC000778994379 628382240 /nfs/dbraw/zinc/38/22/40/628382240.db2.gz KJXVTNVTYGWXFQ-UHFFFAOYSA-N 1 1 295.379 3.241 20 10 CGCDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2cc(F)ccc2O)on1 ZINC000779000164 628382932 /nfs/dbraw/zinc/38/29/32/628382932.db2.gz QVVVJEYQGGVECY-ZDUSSCGKSA-N 1 1 276.311 3.165 20 10 CGCDMO Cc1cccc2c1CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC000779014916 628383230 /nfs/dbraw/zinc/38/32/30/628383230.db2.gz RHOBFZNBUVQURI-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)ccc2O)C12CCC2 ZINC000779034844 628385065 /nfs/dbraw/zinc/38/50/65/628385065.db2.gz VGJFSVYNZDEQIS-CVEARBPZSA-N 1 1 293.382 3.311 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH+]2CCCCC2)c1 ZINC000781910150 628605142 /nfs/dbraw/zinc/60/51/42/628605142.db2.gz LUGPYYSZEVCXHD-UHFFFAOYSA-N 1 1 284.197 3.449 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)[C@@H](C)[C@@H](C)O1 ZINC000783736975 628744041 /nfs/dbraw/zinc/74/40/41/628744041.db2.gz GTRPNNIQGPATMV-OUAUKWLOSA-N 1 1 269.772 3.043 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)[C@@H](C)[C@@H](C)O1 ZINC000783736975 628744043 /nfs/dbraw/zinc/74/40/43/628744043.db2.gz GTRPNNIQGPATMV-OUAUKWLOSA-N 1 1 269.772 3.043 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)c1O ZINC000783738363 628744612 /nfs/dbraw/zinc/74/46/12/628744612.db2.gz SDDNAQLSNRFMGO-TUAOUCFPSA-N 1 1 283.799 3.352 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)c1O ZINC000783738363 628744616 /nfs/dbraw/zinc/74/46/16/628744616.db2.gz SDDNAQLSNRFMGO-TUAOUCFPSA-N 1 1 283.799 3.352 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000790977718 629245584 /nfs/dbraw/zinc/24/55/84/629245584.db2.gz QXFVNTPXKDAHHT-JTQLQIEISA-N 1 1 299.773 3.376 20 10 CGCDMO C[C@@H]1C[C@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000790980867 629245884 /nfs/dbraw/zinc/24/58/84/629245884.db2.gz GGTSCZQMTIWKCA-NXEZZACHSA-N 1 1 287.762 3.089 20 10 CGCDMO CO[C@H](C)C[N@H+](Cc1c(O)ccc(Cl)c1F)C(C)C ZINC000792166509 629342896 /nfs/dbraw/zinc/34/28/96/629342896.db2.gz SCXQEZXEFRULIE-SNVBAGLBSA-N 1 1 289.778 3.430 20 10 CGCDMO CO[C@H](C)C[N@@H+](Cc1c(O)ccc(Cl)c1F)C(C)C ZINC000792166509 629342899 /nfs/dbraw/zinc/34/28/99/629342899.db2.gz SCXQEZXEFRULIE-SNVBAGLBSA-N 1 1 289.778 3.430 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000792171086 629343769 /nfs/dbraw/zinc/34/37/69/629343769.db2.gz XPVSYPILLJPDQE-GWCFXTLKSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000792171086 629343772 /nfs/dbraw/zinc/34/37/72/629343772.db2.gz XPVSYPILLJPDQE-GWCFXTLKSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCCSCC1 ZINC000792173909 629345181 /nfs/dbraw/zinc/34/51/81/629345181.db2.gz LULGFKSNMAONLO-UHFFFAOYSA-N 1 1 275.776 3.124 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCCSCC1 ZINC000792173909 629345183 /nfs/dbraw/zinc/34/51/83/629345183.db2.gz LULGFKSNMAONLO-UHFFFAOYSA-N 1 1 275.776 3.124 20 10 CGCDMO c1cc(N2CCCCC2)ccc1C[NH+]1CC2(C1)CCCO2 ZINC000862483104 629385626 /nfs/dbraw/zinc/38/56/26/629385626.db2.gz GEXSWCGFRVBWLC-UHFFFAOYSA-N 1 1 286.419 3.042 20 10 CGCDMO CCC[C@]1([NH2+]Cc2c(O)ccc(Cl)c2F)CCOC1 ZINC000796489691 629789895 /nfs/dbraw/zinc/78/98/95/629789895.db2.gz BRXWTZLENTZFPR-AWEZNQCLSA-N 1 1 287.762 3.234 20 10 CGCDMO c1csc(SCCC[NH2+][C@H]2CCCc3[nH]ncc32)n1 ZINC000796772441 629830469 /nfs/dbraw/zinc/83/04/69/629830469.db2.gz RRWPQXBFCRDMFR-NSHDSACASA-N 1 1 294.449 3.016 20 10 CGCDMO CCCN(CC)CC[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000796778665 629831700 /nfs/dbraw/zinc/83/17/00/629831700.db2.gz IFJINGGEIYOCHO-HNNXBMFYSA-N 1 1 282.403 3.304 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)C[C@H]1CCOC1)c1ccc(F)cc1O ZINC000796796749 629836471 /nfs/dbraw/zinc/83/64/71/629836471.db2.gz RBSGONUZSZFWHO-JMSVASOKSA-N 1 1 281.371 3.387 20 10 CGCDMO CC[C@H]([NH2+]Cc1cccnc1F)c1ccc(F)cc1O ZINC000796975054 629868162 /nfs/dbraw/zinc/86/81/62/629868162.db2.gz LYYABZRFIGFFAS-ZDUSSCGKSA-N 1 1 278.302 3.306 20 10 CGCDMO CCCC[N@@H+](Cc1cnc(C)cn1)Cc1ccccc1O ZINC000801599246 630347623 /nfs/dbraw/zinc/34/76/23/630347623.db2.gz HBJMJFMEZBAIAS-UHFFFAOYSA-N 1 1 285.391 3.293 20 10 CGCDMO Cc1cccc(C[N@@H+]2CCOc3cccc(F)c3C2)c1O ZINC000802656613 630403193 /nfs/dbraw/zinc/40/31/93/630403193.db2.gz RKFFBBMCUSKZOJ-UHFFFAOYSA-N 1 1 287.334 3.234 20 10 CGCDMO Cc1cccc(C[N@H+]2CCOc3cccc(F)c3C2)c1O ZINC000802656613 630403195 /nfs/dbraw/zinc/40/31/95/630403195.db2.gz RKFFBBMCUSKZOJ-UHFFFAOYSA-N 1 1 287.334 3.234 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC2(C)C)c1 ZINC000806169591 630553015 /nfs/dbraw/zinc/55/30/15/630553015.db2.gz NXGDOGSGQYIOIS-IINYFYTJSA-N 1 1 277.364 3.018 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000840118346 630599945 /nfs/dbraw/zinc/59/99/45/630599945.db2.gz DEZGKOUOOLPEJF-BRWVUGGUSA-N 1 1 289.419 3.134 20 10 CGCDMO Cc1ccc2c(c1)C[N@H+](Cc1ccccc1O)CCO2 ZINC000809704292 630787435 /nfs/dbraw/zinc/78/74/35/630787435.db2.gz YHCWBCIQUFOJDT-UHFFFAOYSA-N 1 1 269.344 3.095 20 10 CGCDMO C[C@H](C[N@@H+](Cc1ccccc1O)[C@@H](C)CO)c1ccccc1 ZINC000809774931 630804159 /nfs/dbraw/zinc/80/41/59/630804159.db2.gz VFVFNUYVTPBLKH-CVEARBPZSA-N 1 1 299.414 3.379 20 10 CGCDMO CCC(CC)[N@@H+](CC)Cc1cccc(OC)c1O ZINC000809788275 630809929 /nfs/dbraw/zinc/80/99/29/630809929.db2.gz PGCLCCUORAUQEH-UHFFFAOYSA-N 1 1 251.370 3.411 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1 ZINC000810026969 630830230 /nfs/dbraw/zinc/83/02/30/630830230.db2.gz IHXYRTFNRVLWHS-IAGOWNOFSA-N 1 1 288.435 3.142 20 10 CGCDMO CC[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)[C@H]1CCOC1 ZINC000812297302 631236335 /nfs/dbraw/zinc/23/63/35/631236335.db2.gz YZVWKPKRXWAOKC-AWEZNQCLSA-N 1 1 293.407 3.006 20 10 CGCDMO COc1cncc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1C ZINC000876511924 634849122 /nfs/dbraw/zinc/84/91/22/634849122.db2.gz WUWJASKXHSFJHH-UHFFFAOYSA-N 1 1 299.418 3.097 20 10 CGCDMO COCC(C)(C)[N@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000814178658 631538123 /nfs/dbraw/zinc/53/81/23/631538123.db2.gz YJLQTMVAJLJTJJ-UHFFFAOYSA-N 1 1 275.751 3.042 20 10 CGCDMO COCC(C)(C)[N@@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000814178658 631538125 /nfs/dbraw/zinc/53/81/25/631538125.db2.gz YJLQTMVAJLJTJJ-UHFFFAOYSA-N 1 1 275.751 3.042 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@H]3COCC[C@H]32)ccc1N(C)C ZINC000815061478 631709370 /nfs/dbraw/zinc/70/93/70/631709370.db2.gz WGGOFJMIYWINJS-FUHWJXTLSA-N 1 1 288.435 3.062 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@@H](C3CC3)C2)ccc1N(C)C ZINC000815078251 631712982 /nfs/dbraw/zinc/71/29/82/631712982.db2.gz UAOPEUZMQGIGHN-MRXNPFEDSA-N 1 1 258.409 3.293 20 10 CGCDMO CC[C@]1(C)C[N@@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000815099900 631716787 /nfs/dbraw/zinc/71/67/87/631716787.db2.gz ODCBFLCEPCPDKE-QGZVFWFLSA-N 1 1 276.424 3.062 20 10 CGCDMO CCOCC[N@@H+](CC)Cc1ccc2ccccc2c1O ZINC000816497812 631994029 /nfs/dbraw/zinc/99/40/29/631994029.db2.gz TXFQBGIQKWSKJF-UHFFFAOYSA-N 1 1 273.376 3.404 20 10 CGCDMO CCN1CC[N@@H+](Cc2ccc3ccccc3c2O)C[C@H]1C ZINC000816506708 631997182 /nfs/dbraw/zinc/99/71/82/631997182.db2.gz KQDCFUFZTCWFNK-CQSZACIVSA-N 1 1 284.403 3.071 20 10 CGCDMO [O-]c1c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ccc2ccccc21 ZINC000816535480 632006351 /nfs/dbraw/zinc/00/63/51/632006351.db2.gz PSSIPMRCZXKXLV-CQSZACIVSA-N 1 1 296.414 3.119 20 10 CGCDMO [O-]c1c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccc2ccccc21 ZINC000816535480 632006357 /nfs/dbraw/zinc/00/63/57/632006357.db2.gz PSSIPMRCZXKXLV-CQSZACIVSA-N 1 1 296.414 3.119 20 10 CGCDMO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816548673 632007247 /nfs/dbraw/zinc/00/72/47/632007247.db2.gz OZMIMFPHCSHCGT-MRVPVSSYSA-N 1 1 297.761 3.077 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@@H]1CCCO1 ZINC000816559940 632013755 /nfs/dbraw/zinc/01/37/55/632013755.db2.gz ZTEKAAIYBAMIGA-OCCSQVGLSA-N 1 1 287.762 3.232 20 10 CGCDMO CO[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816566755 632014388 /nfs/dbraw/zinc/01/43/88/632014388.db2.gz FMTBIIFBANIETA-LLVKDONJSA-N 1 1 287.762 3.186 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816566755 632014399 /nfs/dbraw/zinc/01/43/99/632014399.db2.gz FMTBIIFBANIETA-LLVKDONJSA-N 1 1 287.762 3.186 20 10 CGCDMO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H]1CCCOC1 ZINC000816566012 632014886 /nfs/dbraw/zinc/01/48/86/632014886.db2.gz IUURDUYQBJYOEL-UWVGGRQHSA-N 1 1 287.762 3.089 20 10 CGCDMO Oc1c(C[N@H+]2CC[C@H](n3cccn3)C2)ccc2ccccc21 ZINC000816617422 632025202 /nfs/dbraw/zinc/02/52/02/632025202.db2.gz YTLDGKCPYBKAFE-INIZCTEOSA-N 1 1 293.370 3.189 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCOC[C@H]2CC2CCC2)cc1C ZINC000816667293 632042074 /nfs/dbraw/zinc/04/20/74/632042074.db2.gz JAHIDXCKFDSSOT-QGZVFWFLSA-N 1 1 289.419 3.400 20 10 CGCDMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000817414611 632144615 /nfs/dbraw/zinc/14/46/15/632144615.db2.gz MDTYPSFDDANKSM-QAPCUYQASA-N 1 1 288.435 3.022 20 10 CGCDMO Cc1cccc([C@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000817939110 632238619 /nfs/dbraw/zinc/23/86/19/632238619.db2.gz ZCUFEGBJNYZGJY-HNAYVOBHSA-N 1 1 297.446 3.412 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817946085 632243706 /nfs/dbraw/zinc/24/37/06/632243706.db2.gz RCXDCGOETBECCR-RISCZKNCSA-N 1 1 282.815 3.086 20 10 CGCDMO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(F)cc1O ZINC000817956769 632252258 /nfs/dbraw/zinc/25/22/58/632252258.db2.gz CJDHZPLOPJDVRU-LLVKDONJSA-N 1 1 274.339 3.007 20 10 CGCDMO C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817958238 632253246 /nfs/dbraw/zinc/25/32/46/632253246.db2.gz UKYFZCSKPRKOAW-NWDGAFQWSA-N 1 1 282.815 3.086 20 10 CGCDMO C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817961490 632257391 /nfs/dbraw/zinc/25/73/91/632257391.db2.gz ZUDNWFIPRMRCLY-RDDDGLTNSA-N 1 1 289.206 3.087 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000817966376 632261976 /nfs/dbraw/zinc/26/19/76/632261976.db2.gz MHWTVICOLOLXFS-CRAIPNDOSA-N 1 1 289.467 3.183 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CC23CC3)c1 ZINC000818230602 632299941 /nfs/dbraw/zinc/29/99/41/632299941.db2.gz PWWBFSSMTDZMMB-LLVKDONJSA-N 1 1 282.181 3.105 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H](OC)C1CC1 ZINC000823025673 633051077 /nfs/dbraw/zinc/05/10/77/633051077.db2.gz KZMINIXEPGXBEE-QGZVFWFLSA-N 1 1 277.408 3.419 20 10 CGCDMO CN(C)c1ccc(C[N@H+](Cc2ccncc2F)C2CC2)cc1 ZINC000823399761 633098899 /nfs/dbraw/zinc/09/88/99/633098899.db2.gz QGRLHJVWHLNHBC-UHFFFAOYSA-N 1 1 299.393 3.451 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](Cc2ccncc2F)C2CC2)cc1 ZINC000823399761 633098901 /nfs/dbraw/zinc/09/89/01/633098901.db2.gz QGRLHJVWHLNHBC-UHFFFAOYSA-N 1 1 299.393 3.451 20 10 CGCDMO Cc1cccc(C[N@@H+](C)Cc2ccccc2O)c1F ZINC000823408845 633099559 /nfs/dbraw/zinc/09/95/59/633099559.db2.gz RSELREBWIXHIKL-UHFFFAOYSA-N 1 1 259.324 3.472 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CC(C)(C)CC[C@H]1O)c1ccc(F)cc1O ZINC000866452426 633141967 /nfs/dbraw/zinc/14/19/67/633141967.db2.gz GLWXICFHBGIDFF-ZLKJLUDKSA-N 1 1 281.371 3.122 20 10 CGCDMO Cc1cccc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c1O ZINC000824941583 633309180 /nfs/dbraw/zinc/30/91/80/633309180.db2.gz PUZATDWHCQHUJA-CVEARBPZSA-N 1 1 257.377 3.321 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c1 ZINC000824940719 633309243 /nfs/dbraw/zinc/30/92/43/633309243.db2.gz BEODOEQLPFUDNI-SJLPKXTDSA-N 1 1 287.403 3.411 20 10 CGCDMO CCc1nc(C[NH2+]Cc2ccc(N(CC)CC)cc2)co1 ZINC000825050735 633322711 /nfs/dbraw/zinc/32/27/11/633322711.db2.gz QROLPQZXXXBCHY-UHFFFAOYSA-N 1 1 287.407 3.373 20 10 CGCDMO COC[C@H]1CCCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000825294694 633342597 /nfs/dbraw/zinc/34/25/97/633342597.db2.gz WRLMGFLUOOSESN-SNVBAGLBSA-N 1 1 287.762 3.186 20 10 CGCDMO COC[C@H]1CCCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000825294694 633342601 /nfs/dbraw/zinc/34/26/01/633342601.db2.gz WRLMGFLUOOSESN-SNVBAGLBSA-N 1 1 287.762 3.186 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2O)[C@@H](C)C1 ZINC000825774561 633381553 /nfs/dbraw/zinc/38/15/53/633381553.db2.gz YLMSKEOZJAZVSZ-AAEUAGOBSA-N 1 1 283.799 3.353 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](OC(F)F)C2)cc1Cl ZINC000825804333 633382257 /nfs/dbraw/zinc/38/22/57/633382257.db2.gz ZPOUOPZVCMVEMG-JTQLQIEISA-N 1 1 291.725 3.168 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1O ZINC000827376882 633487377 /nfs/dbraw/zinc/48/73/77/633487377.db2.gz KIWCTNVVTPXPID-NVXWUHKLSA-N 1 1 289.419 3.482 20 10 CGCDMO Cc1cc(Br)cc(C[N@H+]2CC[C@H]3C[C@H]3C2)c1O ZINC000827506060 633495284 /nfs/dbraw/zinc/49/52/84/633495284.db2.gz BWDVOVMUPJEBQB-QWRGUYRKSA-N 1 1 296.208 3.305 20 10 CGCDMO CCOc1ccc(NCc2cc(F)ccc2O)[nH+]c1C ZINC000827728385 633513296 /nfs/dbraw/zinc/51/32/96/633513296.db2.gz LAROKKPVUMIEJE-UHFFFAOYSA-N 1 1 276.311 3.246 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C1(CO)CCC1 ZINC000827903085 633532589 /nfs/dbraw/zinc/53/25/89/633532589.db2.gz AYVSVOYSKBKZPP-UHFFFAOYSA-N 1 1 288.435 3.024 20 10 CGCDMO Cc1cc(C[N@@H+](C)Cc2cn[nH]c2)ccc1N1CCCCC1 ZINC000828358518 633608195 /nfs/dbraw/zinc/60/81/95/633608195.db2.gz REEGYPYBUWANMJ-UHFFFAOYSA-N 1 1 298.434 3.340 20 10 CGCDMO COc1ccc(N(CCn2cc[nH+]c2C)CC2CC2)cc1 ZINC000831587522 633980301 /nfs/dbraw/zinc/98/03/01/633980301.db2.gz CSBCGPPXCPSYID-UHFFFAOYSA-N 1 1 285.391 3.117 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H](F)C2)cc1 ZINC000846120515 636147324 /nfs/dbraw/zinc/14/73/24/636147324.db2.gz RCKGUYKEJCGPQQ-QTLSWZBMSA-N 1 1 262.372 3.200 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H](F)C2)cc1 ZINC000846120515 636147325 /nfs/dbraw/zinc/14/73/25/636147325.db2.gz RCKGUYKEJCGPQQ-QTLSWZBMSA-N 1 1 262.372 3.200 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@@]3(CCOC3)C2)ccc1N(C)C ZINC000832347790 634051587 /nfs/dbraw/zinc/05/15/87/634051587.db2.gz CMAPVURYYFIXOA-GOSISDBHSA-N 1 1 288.435 3.064 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)c1nccnc1C)c1ccc(F)cc1O ZINC000872133075 634054582 /nfs/dbraw/zinc/05/45/82/634054582.db2.gz JXXHJFKACLDNFF-SMDDNHRTSA-N 1 1 289.354 3.432 20 10 CGCDMO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000872133836 634056531 /nfs/dbraw/zinc/05/65/31/634056531.db2.gz PCKIEXIEYZHDHO-GXSJLCMTSA-N 1 1 275.327 3.042 20 10 CGCDMO Oc1ccccc1C[N@@H+](Cc1cncnc1)C1CCCC1 ZINC000124083464 634145860 /nfs/dbraw/zinc/14/58/60/634145860.db2.gz GEQHCIADFQGQQO-UHFFFAOYSA-N 1 1 283.375 3.127 20 10 CGCDMO Cc1ccc([C@H](C)[NH2+]Cc2nn(C)cc2Cl)c(O)c1C ZINC000834883264 634265584 /nfs/dbraw/zinc/26/55/84/634265584.db2.gz OSEUADKMWHYNQF-NSHDSACASA-N 1 1 293.798 3.247 20 10 CGCDMO CCCc1ncc(C[NH2+][C@H](C)c2ccc(F)cc2O)o1 ZINC000834900402 634276519 /nfs/dbraw/zinc/27/65/19/634276519.db2.gz PMLDSBHBNHPTNU-SNVBAGLBSA-N 1 1 278.327 3.323 20 10 CGCDMO CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000873222765 634291481 /nfs/dbraw/zinc/29/14/81/634291481.db2.gz BYHTXFAYBJZSEG-MRXNPFEDSA-N 1 1 296.842 3.243 20 10 CGCDMO CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000873222765 634291490 /nfs/dbraw/zinc/29/14/90/634291490.db2.gz BYHTXFAYBJZSEG-MRXNPFEDSA-N 1 1 296.842 3.243 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000873268829 634311930 /nfs/dbraw/zinc/31/19/30/634311930.db2.gz HWTYPRLQHKVPTF-ABAIWWIYSA-N 1 1 296.842 3.474 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000873272900 634314547 /nfs/dbraw/zinc/31/45/47/634314547.db2.gz XCZSUBVNUNVWQQ-WDEREUQCSA-N 1 1 282.815 3.084 20 10 CGCDMO COC(C)(C)C[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835028898 634325231 /nfs/dbraw/zinc/32/52/31/634325231.db2.gz LYPBJYAVVMDCQH-FPLPWBNLSA-N 1 1 276.424 3.123 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)C[C@H]2CCCCO2)cc1 ZINC000835029081 634325672 /nfs/dbraw/zinc/32/56/72/634325672.db2.gz UUTXCOQQPMADEP-HPFMTEOYSA-N 1 1 288.435 3.267 20 10 CGCDMO CC(C)[N@@H+](C/C=C\c1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000835056659 634340350 /nfs/dbraw/zinc/34/03/50/634340350.db2.gz WNXAXMVEZKHLJW-OOFWQKGWSA-N 1 1 288.435 3.265 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2c(C)cccc2O)cc1F ZINC000876546696 634854760 /nfs/dbraw/zinc/85/47/60/634854760.db2.gz RBUUBFBHGUDWDB-UHFFFAOYSA-N 1 1 289.350 3.480 20 10 CGCDMO COc1cccc(C)c1C[N@@H+](C)Cc1ccccc1O ZINC000876615831 634869128 /nfs/dbraw/zinc/86/91/28/634869128.db2.gz MIUSKGJXNPXKBR-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO CCC[N@@H+](Cc1ccc(Cl)nn1)Cc1ccccc1O ZINC000876654715 634875309 /nfs/dbraw/zinc/87/53/09/634875309.db2.gz MRSSMSSLOIDYBU-UHFFFAOYSA-N 1 1 291.782 3.248 20 10 CGCDMO CCn1ccc(C[N@@H+](C)Cc2c(C)cccc2O)c1 ZINC000877472195 635049518 /nfs/dbraw/zinc/04/95/18/635049518.db2.gz MJRIVZBOUCXALH-UHFFFAOYSA-N 1 1 258.365 3.154 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000877486344 635056721 /nfs/dbraw/zinc/05/67/21/635056721.db2.gz ICVPISUWLUNPNC-PWSUYJOCSA-N 1 1 273.298 3.473 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000840937737 635085564 /nfs/dbraw/zinc/08/55/64/635085564.db2.gz WEMNJQGXKWWMNQ-OAHLLOKOSA-N 1 1 298.377 3.265 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)CCc1ccncc1 ZINC000840940124 635086767 /nfs/dbraw/zinc/08/67/67/635086767.db2.gz VQLMAKKLMCEBNR-UHFFFAOYSA-N 1 1 283.419 3.131 20 10 CGCDMO CO[C@@H]1C[N@@H+](Cc2c(O)cc(C)cc2Cl)CC[C@H]1C ZINC000840940126 635087369 /nfs/dbraw/zinc/08/73/69/635087369.db2.gz UWZFFLCAGZHEMN-IAQYHMDHSA-N 1 1 283.799 3.211 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000840943516 635089347 /nfs/dbraw/zinc/08/93/47/635089347.db2.gz TVUAYOOLLDJGLX-ZWKOTPCHSA-N 1 1 288.435 3.204 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C)CC1(C)C ZINC000840951317 635090552 /nfs/dbraw/zinc/09/05/52/635090552.db2.gz WFLHWKVXQIYOPY-QGZVFWFLSA-N 1 1 290.451 3.308 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+]1CC(C)(C)[C@@H]1c1nccn1C ZINC000877559967 635091178 /nfs/dbraw/zinc/09/11/78/635091178.db2.gz BPNZIUHMQNFHBG-HNNXBMFYSA-N 1 1 285.391 3.017 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC(C)(C)[C@@H]1c1nccn1C ZINC000877559967 635091180 /nfs/dbraw/zinc/09/11/80/635091180.db2.gz BPNZIUHMQNFHBG-HNNXBMFYSA-N 1 1 285.391 3.017 20 10 CGCDMO C[C@@H]1C[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2O)[C@H](C)O1 ZINC000840964931 635095182 /nfs/dbraw/zinc/09/51/82/635095182.db2.gz YHGZVLLDJAEAPW-KXUCPTDWSA-N 1 1 287.762 3.088 20 10 CGCDMO CC(C)[C@H]1[N@@H+](Cc2ccccc2O)CC12CCOCC2 ZINC000840969788 635097369 /nfs/dbraw/zinc/09/73/69/635097369.db2.gz MVWQBBYGJGLUTB-MRXNPFEDSA-N 1 1 275.392 3.029 20 10 CGCDMO CN(C)c1ccc(/C=C\CNC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000841035416 635111284 /nfs/dbraw/zinc/11/12/84/635111284.db2.gz GXGUMGIXXULZDE-LIXSYLKWSA-N 1 1 295.430 3.055 20 10 CGCDMO Cc1cc(O)c(CN[C@@H]2CC[NH2+]C3(CCC3)C2)c(Cl)c1 ZINC000841089707 635121364 /nfs/dbraw/zinc/12/13/64/635121364.db2.gz KFKPRAAPCGZLPX-GFCCVEGCSA-N 1 1 294.826 3.118 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@H](O)C[C@H]2c2ccccc2)c1O ZINC000877672506 635141489 /nfs/dbraw/zinc/14/14/89/635141489.db2.gz GFFLXNOUFMTRFH-ROUUACIJSA-N 1 1 297.398 3.399 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000877674885 635142204 /nfs/dbraw/zinc/14/22/04/635142204.db2.gz WKEFTADYIZTCKA-MSOLQXFVSA-N 1 1 297.398 3.399 20 10 CGCDMO CC1(C)C[C@@H](O)C[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000877753377 635182491 /nfs/dbraw/zinc/18/24/91/635182491.db2.gz YHZNLIGADCPYML-OAHLLOKOSA-N 1 1 285.387 3.138 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000877805499 635209285 /nfs/dbraw/zinc/20/92/85/635209285.db2.gz KBRDNONUXUYRJV-VPJDZLOFSA-N 1 1 299.773 3.232 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccc(Cl)cc1O ZINC000841748185 635223891 /nfs/dbraw/zinc/22/38/91/635223891.db2.gz IHFRHMQYLBBWDF-RNCFNFMXSA-N 1 1 291.782 3.497 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H](C)N(C)C1CC1)c1ccc(Cl)cc1O ZINC000841748805 635224279 /nfs/dbraw/zinc/22/42/79/635224279.db2.gz ZCWWRUXHKZTLBY-GHMZBOCLSA-N 1 1 282.815 3.179 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCCOCC1)c1ccc(Cl)cc1O ZINC000841753041 635227684 /nfs/dbraw/zinc/22/76/84/635227684.db2.gz XIUZLUZGKCQZKJ-ZYHUDNBSSA-N 1 1 269.772 3.265 20 10 CGCDMO Cc1nccnc1[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000877828472 635230577 /nfs/dbraw/zinc/23/05/77/635230577.db2.gz KOVGCNXIWWTTEI-VIFPVBQESA-N 1 1 295.745 3.134 20 10 CGCDMO C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1[O-] ZINC000841758614 635232093 /nfs/dbraw/zinc/23/20/93/635232093.db2.gz UAEYIYPBZSNBLW-QWHCGFSZSA-N 1 1 296.842 3.428 20 10 CGCDMO Cc1ncccc1OC[C@H]1CCC[N@H+]1Cc1ccccc1O ZINC000841900039 635250310 /nfs/dbraw/zinc/25/03/10/635250310.db2.gz ZDFFCWDSKQPHOZ-MRXNPFEDSA-N 1 1 298.386 3.139 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H]1CCO[C@H]1C ZINC000878150426 635379018 /nfs/dbraw/zinc/37/90/18/635379018.db2.gz DCHPKFQNWPQRKZ-UONOGXRCSA-N 1 1 263.381 3.029 20 10 CGCDMO Oc1c(Cl)cccc1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000843047920 635550095 /nfs/dbraw/zinc/55/00/95/635550095.db2.gz BNINUFUVVSXUHN-LSDHHAIUSA-N 1 1 294.826 3.152 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000843416955 635662913 /nfs/dbraw/zinc/66/29/13/635662913.db2.gz MMADHYDVZHUTMD-HOCLYGCPSA-N 1 1 275.392 3.092 20 10 CGCDMO C[C@H]1CC2(C[N@H+]1Cc1cc(Cl)ccc1O)CCOCC2 ZINC000843432583 635674598 /nfs/dbraw/zinc/67/45/98/635674598.db2.gz ZASRVRIOMPKIEA-LBPRGKRZSA-N 1 1 295.810 3.437 20 10 CGCDMO CC[N@@H+](CCSC)Cc1ccc(N(C)C)cc1C ZINC000843437481 635676197 /nfs/dbraw/zinc/67/61/97/635676197.db2.gz GVHRGTXIPDXXJN-UHFFFAOYSA-N 1 1 266.454 3.246 20 10 CGCDMO CC[NH+](CC)[C@H](C)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000127528653 635711145 /nfs/dbraw/zinc/71/11/45/635711145.db2.gz DTCPWIJNCAVHCQ-CABCVRRESA-N 1 1 277.456 3.134 20 10 CGCDMO COc1ccc(N(C)CC[N@@H+](C)[C@@H](C)c2cccnc2)cc1 ZINC000844399885 635890272 /nfs/dbraw/zinc/89/02/72/635890272.db2.gz RRQHGEZPEGEVRI-HNNXBMFYSA-N 1 1 299.418 3.219 20 10 CGCDMO CCC[C@H](C)[C@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000846015077 636129947 /nfs/dbraw/zinc/12/99/47/636129947.db2.gz UMHXKNWDGDBSBR-ZANVPECISA-N 1 1 289.778 3.071 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c(O)c1 ZINC000846117087 636146649 /nfs/dbraw/zinc/14/66/49/636146649.db2.gz MVIMCNHOYIFAGN-AWEZNQCLSA-N 1 1 283.318 3.022 20 10 CGCDMO COc1cccc(C[N@@H+](C2CC2)C2CCCC2)c1O ZINC000130221286 636433096 /nfs/dbraw/zinc/43/30/96/636433096.db2.gz HBGGEVNTAXTJCW-UHFFFAOYSA-N 1 1 261.365 3.308 20 10 CGCDMO COCc1cccc(C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000882892609 636450396 /nfs/dbraw/zinc/45/03/96/636450396.db2.gz ASJMOPQDGFZSPR-UHFFFAOYSA-N 1 1 293.313 3.107 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000883049929 636521029 /nfs/dbraw/zinc/52/10/29/636521029.db2.gz YQVOEBSAQJFXLV-CYBMUJFWSA-N 1 1 297.345 3.252 20 10 CGCDMO CCc1cccc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c1O ZINC000848880215 636670317 /nfs/dbraw/zinc/67/03/17/636670317.db2.gz LRUJPRJKBTZMOO-UHFFFAOYSA-N 1 1 299.370 3.315 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1O ZINC000848882133 636672196 /nfs/dbraw/zinc/67/21/96/636672196.db2.gz LYBLQLIDGBFUGQ-AWEZNQCLSA-N 1 1 285.391 3.057 20 10 CGCDMO CCc1cccc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1O ZINC000848912874 636687903 /nfs/dbraw/zinc/68/79/03/636687903.db2.gz LEZSKIJSSSTVMM-DOTOQJQBSA-N 1 1 289.419 3.344 20 10 CGCDMO C[C@H](CN1CCC(C)CC1)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000850544461 637115964 /nfs/dbraw/zinc/11/59/64/637115964.db2.gz XGDHLCMKLIUNPN-ZIAGYGMSSA-N 1 1 294.414 3.302 20 10 CGCDMO CCc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2O)cc1 ZINC000109771061 637268139 /nfs/dbraw/zinc/26/81/39/637268139.db2.gz MGAYOQMQIJWIIL-UHFFFAOYSA-N 1 1 298.386 3.025 20 10 CGCDMO CCc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000109771061 637268141 /nfs/dbraw/zinc/26/81/41/637268141.db2.gz MGAYOQMQIJWIIL-UHFFFAOYSA-N 1 1 298.386 3.025 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000851720226 637476411 /nfs/dbraw/zinc/47/64/11/637476411.db2.gz DEWWPTXTQPTPOE-MUJYYYPQSA-N 1 1 258.409 3.231 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1c(O)cccc1F ZINC000886491480 637539840 /nfs/dbraw/zinc/53/98/40/637539840.db2.gz FWWOBQWZAVWRSR-WDEREUQCSA-N 1 1 260.312 3.338 20 10 CGCDMO C[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1c(O)cccc1F ZINC000886522737 637551424 /nfs/dbraw/zinc/55/14/24/637551424.db2.gz PZXWGYKLXMXBRG-NHYWBVRUSA-N 1 1 281.371 3.123 20 10 CGCDMO CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2c([O-])cccc2F)C1 ZINC000886522026 637551738 /nfs/dbraw/zinc/55/17/38/637551738.db2.gz AMSJGLUYZCADRC-ZIAGYGMSSA-N 1 1 294.414 3.302 20 10 CGCDMO C[C@H]([NH2+]CCNc1ccccc1)c1c(O)cccc1F ZINC000886537411 637561458 /nfs/dbraw/zinc/56/14/58/637561458.db2.gz ZXVZXCMEFFGLHX-LBPRGKRZSA-N 1 1 274.339 3.294 20 10 CGCDMO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2c(O)cccc2F)CCO1 ZINC000886542561 637567062 /nfs/dbraw/zinc/56/70/62/637567062.db2.gz BQYPAMGVMPUGLC-ZOWXZIJZSA-N 1 1 281.371 3.386 20 10 CGCDMO Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2c(O)cccc2F)c1 ZINC000886551073 637576490 /nfs/dbraw/zinc/57/64/90/637576490.db2.gz AWDWRDFWLOBTRH-BLLLJJGKSA-N 1 1 289.350 3.224 20 10 CGCDMO C[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1c(O)cccc1F ZINC000886592571 637596925 /nfs/dbraw/zinc/59/69/25/637596925.db2.gz XNCOMJWBGRCREP-GOPGUHFVSA-N 1 1 293.382 3.387 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1c(O)cccc1F ZINC000886601404 637599312 /nfs/dbraw/zinc/59/93/12/637599312.db2.gz RUUGHAJPCQGLIV-JSGCOSHPSA-N 1 1 292.398 3.199 20 10 CGCDMO Cc1cccnc1CC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886618706 637610693 /nfs/dbraw/zinc/61/06/93/637610693.db2.gz IMARHHCSNSZYPA-GFCCVEGCSA-N 1 1 274.339 3.128 20 10 CGCDMO C[C@@H]([NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1c(O)cccc1F ZINC000886633554 637619135 /nfs/dbraw/zinc/61/91/35/637619135.db2.gz YMROKWFDFBTBAX-WDEREUQCSA-N 1 1 297.370 3.160 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)c1c(O)cccc1F ZINC000886634903 637621105 /nfs/dbraw/zinc/62/11/05/637621105.db2.gz QAJPAAIWMNXXOC-NWANDNLSSA-N 1 1 292.398 3.199 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)c1c(O)cccc1F ZINC000886634901 637621581 /nfs/dbraw/zinc/62/15/81/637621581.db2.gz QAJPAAIWMNXXOC-AEGPPILISA-N 1 1 292.398 3.199 20 10 CGCDMO C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1c(O)cccc1F ZINC000886639577 637624759 /nfs/dbraw/zinc/62/47/59/637624759.db2.gz GLIMDKYBZNYQQA-IUCAKERBSA-N 1 1 259.271 3.227 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1c(O)cccc1F ZINC000886646961 637626298 /nfs/dbraw/zinc/62/62/98/637626298.db2.gz ZFIXMASHTXWHND-OLZOCXBDSA-N 1 1 293.382 3.389 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)cc1C(C)C ZINC000853566100 637868261 /nfs/dbraw/zinc/86/82/61/637868261.db2.gz LSQCUVNGKBPIQK-QAPCUYQASA-N 1 1 289.419 3.292 20 10 CGCDMO COc1ccc(N2CC[C@H](Nc3cccc(C)[nH+]3)C2)cc1 ZINC000853758607 637911814 /nfs/dbraw/zinc/91/18/14/637911814.db2.gz IFXKSMLWAAVPGI-AWEZNQCLSA-N 1 1 283.375 3.089 20 10 CGCDMO CCN(C)c1ccc([C@H](C)NCC2([NH3+])CCCC2)cc1 ZINC000854222609 638025768 /nfs/dbraw/zinc/02/57/68/638025768.db2.gz IDPLXUCQUFGNHA-AWEZNQCLSA-N 1 1 275.440 3.065 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CC[C@@H]1CC1(F)F ZINC000856802578 638391900 /nfs/dbraw/zinc/39/19/00/638391900.db2.gz LQVCDFPOWSUVLZ-SSDOTTSWSA-N 1 1 279.689 3.320 20 10 CGCDMO Cc1ccoc1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858168517 638648404 /nfs/dbraw/zinc/64/84/04/638648404.db2.gz MUCLJFQJXCFAIQ-UHFFFAOYSA-N 1 1 280.318 3.222 20 10 CGCDMO CCC[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)OCC ZINC000858210458 638658326 /nfs/dbraw/zinc/65/83/26/638658326.db2.gz QYHIXABYCFUOQN-SNVBAGLBSA-N 1 1 289.778 3.480 20 10 CGCDMO COc1cc(C[N@@H+](C)Cc2ccc(F)cc2)c(O)cc1C ZINC000159488133 640049301 /nfs/dbraw/zinc/04/93/01/640049301.db2.gz VMEWWMCNFLSSEU-UHFFFAOYSA-N 1 1 289.350 3.480 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)c1O ZINC000159974530 640081797 /nfs/dbraw/zinc/08/17/97/640081797.db2.gz OVADWWSZWBYGRF-CHWSQXEVSA-N 1 1 263.381 3.187 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)c1 ZINC000188039768 640116039 /nfs/dbraw/zinc/11/60/39/640116039.db2.gz RKCDHQZPRTURGF-KRWDZBQOSA-N 1 1 277.408 3.074 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(C)cc(C)c2O)C[C@@H](C)O1 ZINC000247000843 640705573 /nfs/dbraw/zinc/70/55/73/640705573.db2.gz UEINJLHJZPKGHU-HIFRSBDPSA-N 1 1 263.381 3.008 20 10 CGCDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000091919362 640725815 /nfs/dbraw/zinc/72/58/15/640725815.db2.gz JJQDILBJXQKNQJ-MRXNPFEDSA-N 1 1 288.435 3.145 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)[C@@H](C)CO1 ZINC000249050528 640790718 /nfs/dbraw/zinc/79/07/18/640790718.db2.gz JCLSTNAQDAFEBJ-NWDGAFQWSA-N 1 1 293.407 3.005 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)[C@@H](C)CO1 ZINC000249050528 640790723 /nfs/dbraw/zinc/79/07/23/640790723.db2.gz JCLSTNAQDAFEBJ-NWDGAFQWSA-N 1 1 293.407 3.005 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)C[C@@](C)(O)c1ccccc1 ZINC001253103495 806168065 /nfs/dbraw/zinc/16/80/65/806168065.db2.gz DRGCVNGHCCXBIY-GOSISDBHSA-N 1 1 285.387 3.122 20 10 CGCDMO Cc1cccc(CNc2nc(NCC3CC3)c(C)c[nH+]2)c1O ZINC001160765201 806300786 /nfs/dbraw/zinc/30/07/86/806300786.db2.gz WOBBSVOROFDKPD-UHFFFAOYSA-N 1 1 298.390 3.233 20 10 CGCDMO Cc1cc(C)c(CNc2nc(N3CCCC3)cc[nH+]2)c(O)c1 ZINC001160808404 806306143 /nfs/dbraw/zinc/30/61/43/806306143.db2.gz RKXBEYZTRDRFPN-UHFFFAOYSA-N 1 1 298.390 3.011 20 10 CGCDMO Cc1cc(C)c(CNc2nc(C)[nH+]c(C)c2C)c(O)c1 ZINC001160811697 806307440 /nfs/dbraw/zinc/30/74/40/806307440.db2.gz SPDVPLHYPYCTRI-UHFFFAOYSA-N 1 1 271.364 3.336 20 10 CGCDMO CC[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000027536686 798842803 /nfs/dbraw/zinc/84/28/03/798842803.db2.gz LBIDLGMOWNHZRC-CQSZACIVSA-N 1 1 293.407 3.006 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000027536686 798842808 /nfs/dbraw/zinc/84/28/08/798842808.db2.gz LBIDLGMOWNHZRC-CQSZACIVSA-N 1 1 293.407 3.006 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)[C@H](C)CO1 ZINC000045723062 798891302 /nfs/dbraw/zinc/89/13/02/798891302.db2.gz JCLSTNAQDAFEBJ-VXGBXAGGSA-N 1 1 293.407 3.005 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)[C@H](C)CO1 ZINC000045723062 798891306 /nfs/dbraw/zinc/89/13/06/798891306.db2.gz JCLSTNAQDAFEBJ-VXGBXAGGSA-N 1 1 293.407 3.005 20 10 CGCDMO CC[N@@H+](Cc1ccc(N2CCCCC2)cc1)CC(C)(C)O ZINC000093436879 798964130 /nfs/dbraw/zinc/96/41/30/798964130.db2.gz DHFZTYPDNLVKPO-UHFFFAOYSA-N 1 1 290.451 3.270 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)Cc2ccccc2)c1O ZINC000125111845 798999801 /nfs/dbraw/zinc/99/98/01/798999801.db2.gz QSZBMKHAFWJUQE-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2CC2(C)C)c1 ZINC000309922070 799220566 /nfs/dbraw/zinc/22/05/66/799220566.db2.gz SQJWJRUDUGAARL-NSHDSACASA-N 1 1 284.197 3.351 20 10 CGCDMO Cc1c2ccccc2n(C)c1CN[C@H](C)C[N@H+](C)C(C)C ZINC000315371367 799236552 /nfs/dbraw/zinc/23/65/52/799236552.db2.gz RAMVGXHQBYTNAA-CQSZACIVSA-N 1 1 287.451 3.305 20 10 CGCDMO Cc1c2ccccc2n(C)c1CN[C@H](C)C[N@@H+](C)C(C)C ZINC000315371367 799236557 /nfs/dbraw/zinc/23/65/57/799236557.db2.gz RAMVGXHQBYTNAA-CQSZACIVSA-N 1 1 287.451 3.305 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)C(C)(C)C)c1O ZINC000382172405 799393516 /nfs/dbraw/zinc/39/35/16/799393516.db2.gz VJQBFDKDZFTQKE-UHFFFAOYSA-N 1 1 269.772 3.479 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)C(C)(C)C)c1O ZINC000382172405 799393524 /nfs/dbraw/zinc/39/35/24/799393524.db2.gz VJQBFDKDZFTQKE-UHFFFAOYSA-N 1 1 269.772 3.479 20 10 CGCDMO CC1(C)C[N@@H+](Cc2c(O)ccc3ccccc32)[C@@H]2COC[C@@H]21 ZINC000384812560 799418522 /nfs/dbraw/zinc/41/85/22/799418522.db2.gz DOZARBUACKGYGV-DLBZAZTESA-N 1 1 297.398 3.402 20 10 CGCDMO CC1(C)C[N@@H+](Cc2c(O)cccc2Cl)CCCO1 ZINC000386634189 799438373 /nfs/dbraw/zinc/43/83/73/799438373.db2.gz QFQMIINVFDTUPC-UHFFFAOYSA-N 1 1 269.772 3.047 20 10 CGCDMO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)s1 ZINC000391804707 799478512 /nfs/dbraw/zinc/47/85/12/799478512.db2.gz ISEUBGURORXXKM-HTQZYQBOSA-N 1 1 281.356 3.103 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)c1csnn1)c1ccccc1O ZINC000398468581 799531215 /nfs/dbraw/zinc/53/12/15/799531215.db2.gz MLJATRXAHLCVBF-ONGXEEELSA-N 1 1 263.366 3.046 20 10 CGCDMO CCOc1cccc(C[N@H+]2C[C@@H](C)C[C@H]2CC)c1O ZINC000399608844 799539661 /nfs/dbraw/zinc/53/96/61/799539661.db2.gz PZOSTCGGDBSRMK-GXTWGEPZSA-N 1 1 263.381 3.411 20 10 CGCDMO COC(C)(C)C[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000404225578 799574839 /nfs/dbraw/zinc/57/48/39/799574839.db2.gz BUZPLXCSBUHHAP-UHFFFAOYSA-N 1 1 273.376 3.402 20 10 CGCDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000404505620 799577432 /nfs/dbraw/zinc/57/74/32/799577432.db2.gz BGELRWJSQXOGQY-CQSZACIVSA-N 1 1 283.799 3.435 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@H](C(C)C)C2)c1O ZINC000694455539 799822014 /nfs/dbraw/zinc/82/20/14/799822014.db2.gz VLPXGELOGJKMIT-ZDUSSCGKSA-N 1 1 263.381 3.269 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C[C@H](C)O1 ZINC000694871202 799824548 /nfs/dbraw/zinc/82/45/48/799824548.db2.gz PAFYOPLLJXCWCE-MNOVXSKESA-N 1 1 269.772 3.045 20 10 CGCDMO C[C@H]([NH2+]CCCOC(C)(C)C)c1ccc(F)cc1O ZINC000695284224 799827819 /nfs/dbraw/zinc/82/78/19/799827819.db2.gz OFEYCPXLMAJBBO-NSHDSACASA-N 1 1 269.360 3.387 20 10 CGCDMO C[C@@H]([NH2+]CCC1(F)CCC1)c1ccc(F)cc1O ZINC000702441427 799909182 /nfs/dbraw/zinc/90/91/82/799909182.db2.gz WUUIAEPJGKMFEN-SNVBAGLBSA-N 1 1 255.308 3.464 20 10 CGCDMO COC1CCC([NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000703836009 799931792 /nfs/dbraw/zinc/93/17/92/799931792.db2.gz NVNVSIWZQGSEFA-QFWMXSHPSA-N 1 1 267.344 3.140 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCSC(F)(F)F ZINC000708465903 799987961 /nfs/dbraw/zinc/98/79/61/799987961.db2.gz LGRGJJULRQJFDT-UHFFFAOYSA-N 1 1 287.253 3.013 20 10 CGCDMO CCC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000708479815 799989793 /nfs/dbraw/zinc/98/97/93/799989793.db2.gz AGXPWLCZGROYDE-GFCCVEGCSA-N 1 1 277.364 3.133 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]Cc1ccccc1F ZINC000708481304 799989919 /nfs/dbraw/zinc/98/99/19/799989919.db2.gz BVGNOWLEQKTEFZ-UHFFFAOYSA-N 1 1 267.250 3.099 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1C[C@@H](F)[C@@H](F)C1 ZINC000714559722 800125675 /nfs/dbraw/zinc/12/56/75/800125675.db2.gz YVIFFXROAAJZNW-OKILXGFUSA-N 1 1 263.287 3.037 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@@H+]1C[C@@H](F)[C@@H](F)C1 ZINC000714559722 800125678 /nfs/dbraw/zinc/12/56/78/800125678.db2.gz YVIFFXROAAJZNW-OKILXGFUSA-N 1 1 263.287 3.037 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@@H](C)Cc1ccncc1 ZINC001256751531 806972479 /nfs/dbraw/zinc/97/24/79/806972479.db2.gz YQMXUXFUASRVBY-AWEZNQCLSA-N 1 1 270.376 3.240 20 10 CGCDMO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1cc(F)ccc1O ZINC001116815625 802414396 /nfs/dbraw/zinc/41/43/96/802414396.db2.gz USTSABIYBNOLIK-UHFFFAOYSA-N 1 1 291.370 3.184 20 10 CGCDMO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1cc(F)ccc1O ZINC001116815625 802414402 /nfs/dbraw/zinc/41/44/02/802414402.db2.gz USTSABIYBNOLIK-UHFFFAOYSA-N 1 1 291.370 3.184 20 10 CGCDMO CCC[N@@H+](Cc1cccc(OCC)c1O)C1CCOCC1 ZINC001203615017 812406519 /nfs/dbraw/zinc/40/65/19/812406519.db2.gz KSEIKLFCDSNFEN-UHFFFAOYSA-N 1 1 293.407 3.182 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC001204992393 812813934 /nfs/dbraw/zinc/81/39/34/812813934.db2.gz CBFBMFVPJGKKJH-OAHLLOKOSA-N 1 1 297.345 3.061 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC001204992393 812813943 /nfs/dbraw/zinc/81/39/43/812813943.db2.gz CBFBMFVPJGKKJH-OAHLLOKOSA-N 1 1 297.345 3.061 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001137837704 803780521 /nfs/dbraw/zinc/78/05/21/803780521.db2.gz RGALZPADDNBLNL-VIFPVBQESA-N 1 1 259.271 3.008 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001137837704 803780526 /nfs/dbraw/zinc/78/05/26/803780526.db2.gz RGALZPADDNBLNL-VIFPVBQESA-N 1 1 259.271 3.008 20 10 CGCDMO CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1c(O)cccc1F)C2 ZINC001137834647 803780842 /nfs/dbraw/zinc/78/08/42/803780842.db2.gz ODCYGARQGOBPNY-DYVFJYSZSA-N 1 1 293.382 3.170 20 10 CGCDMO CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1c(O)cccc1F)C2 ZINC001137834647 803780850 /nfs/dbraw/zinc/78/08/50/803780850.db2.gz ODCYGARQGOBPNY-DYVFJYSZSA-N 1 1 293.382 3.170 20 10 CGCDMO Cc1c(C[N@H+]2CC[C@](C)(O)[C@H](C)C2)c2ccccc2n1C ZINC001138252470 803879160 /nfs/dbraw/zinc/87/91/60/803879160.db2.gz IBGQEUQJNHGZJC-ACJLOTCBSA-N 1 1 286.419 3.080 20 10 CGCDMO Cc1c(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c2ccccc2n1C ZINC001138253709 803881664 /nfs/dbraw/zinc/88/16/64/803881664.db2.gz DFULKMPVRYBICJ-NOLJZWGESA-N 1 1 272.367 3.277 20 10 CGCDMO Cc1c(C[N@H+]2CCOC[C@H]2C2CC2)c2ccccc2n1C ZINC001138259567 803883442 /nfs/dbraw/zinc/88/34/42/803883442.db2.gz JINCHFAAWXFXDS-SFHVURJKSA-N 1 1 284.403 3.098 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2c3ccccc3n(C)c2C)[C@H](C)C1 ZINC001138260752 803887648 /nfs/dbraw/zinc/88/76/48/803887648.db2.gz RDLGEFOALUJIML-HIFRSBDPSA-N 1 1 286.419 3.486 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CCCC3(C)C)ccc21 ZINC001138354387 803900901 /nfs/dbraw/zinc/90/09/01/803900901.db2.gz HRFVRAXFFNTHKE-UHFFFAOYSA-N 1 1 258.409 3.443 20 10 CGCDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138357791 803902283 /nfs/dbraw/zinc/90/22/83/803902283.db2.gz KMUMLZKFPNDJJO-QGZVFWFLSA-N 1 1 288.435 3.070 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@H]2c2cnccn2)ccc1N(C)C ZINC001139673603 804247230 /nfs/dbraw/zinc/24/72/30/804247230.db2.gz VVKGDDBNYOGNBP-SFHVURJKSA-N 1 1 296.418 3.188 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)ccc1N(C)C ZINC001139671753 804248208 /nfs/dbraw/zinc/24/82/08/804248208.db2.gz ZHCSILIJDSYIDI-SJLPKXTDSA-N 1 1 288.435 3.062 20 10 CGCDMO CC1CC([N@@H+](C)Cc2c(O)cccc2Br)C1 ZINC001140098834 804378026 /nfs/dbraw/zinc/37/80/26/804378026.db2.gz OCDNXRJMJGCWDJ-UHFFFAOYSA-N 1 1 284.197 3.385 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@H](Oc3ccccn3)C2)c1O ZINC001140183675 804396545 /nfs/dbraw/zinc/39/65/45/804396545.db2.gz FWNJMVUUJDGCCH-HNNXBMFYSA-N 1 1 298.386 3.057 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2c(C)ccc(C)c2O)[C@@H](C)C1 ZINC001140184673 804398685 /nfs/dbraw/zinc/39/86/85/804398685.db2.gz DPZIOOBSGZKELS-KBPBESRZSA-N 1 1 263.381 3.008 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+](C)C[C@@H]2Cc3ccccc3O2)c1O ZINC001140185941 804398965 /nfs/dbraw/zinc/39/89/65/804398965.db2.gz UUIDFNVMFIDXEC-INIZCTEOSA-N 1 1 297.398 3.445 20 10 CGCDMO Oc1cccc2[nH]cc(C[N@H+]3CCc4cccc(O)c4C3)c21 ZINC001140234990 804403044 /nfs/dbraw/zinc/40/30/44/804403044.db2.gz NGBUWJRLQTYYDV-UHFFFAOYSA-N 1 1 294.354 3.137 20 10 CGCDMO COc1cc(F)cc(C[N@H+]2CCc3cccc(O)c3C2)c1 ZINC001140484605 804445332 /nfs/dbraw/zinc/44/53/32/804445332.db2.gz WHWPNOGTVBKTOB-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2Cc2ccccn2)c1 ZINC001140620948 804476237 /nfs/dbraw/zinc/47/62/37/804476237.db2.gz JHNHEMAKXVGBEI-QGZVFWFLSA-N 1 1 282.387 3.303 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CCCC[C@@](C)(F)C2)c1O ZINC001140744343 804502641 /nfs/dbraw/zinc/50/26/41/804502641.db2.gz ULNHSPHAEYYOFY-OAHLLOKOSA-N 1 1 267.344 3.120 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CCC3(CCCC3)C2)c1O ZINC001140745779 804503122 /nfs/dbraw/zinc/50/31/22/804503122.db2.gz NIJCTPIMLGJGPE-UHFFFAOYSA-N 1 1 261.365 3.172 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2Cc3ccncc3C2)c(O)c1 ZINC001140855048 804533235 /nfs/dbraw/zinc/53/32/35/804533235.db2.gz LRKLSHDQDWOCDX-UHFFFAOYSA-N 1 1 297.402 3.149 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2Cc3ccncc3C2)c(O)c1 ZINC001140855048 804533238 /nfs/dbraw/zinc/53/32/38/804533238.db2.gz LRKLSHDQDWOCDX-UHFFFAOYSA-N 1 1 297.402 3.149 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2Cl)CCCO1 ZINC001140921539 804549169 /nfs/dbraw/zinc/54/91/69/804549169.db2.gz HJQFEGMVTOUIJC-LBPRGKRZSA-N 1 1 282.815 3.017 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c(O)c1 ZINC001140948348 804556611 /nfs/dbraw/zinc/55/66/11/804556611.db2.gz GBGJQQKRDACQOR-SFHVURJKSA-N 1 1 296.414 3.189 20 10 CGCDMO Cc1ccc(C[N@H+](C)CC(=O)c2ccccc2)c(O)c1 ZINC001140958008 804559083 /nfs/dbraw/zinc/55/90/83/804559083.db2.gz PPDLOQKSWPOVIU-UHFFFAOYSA-N 1 1 269.344 3.015 20 10 CGCDMO Cc1ccc(C[N@@H+](C)CC(=O)c2ccccc2)c(O)c1 ZINC001140958008 804559084 /nfs/dbraw/zinc/55/90/84/804559084.db2.gz PPDLOQKSWPOVIU-UHFFFAOYSA-N 1 1 269.344 3.015 20 10 CGCDMO CC[N@H+](Cc1cc(F)c(O)c(F)c1)Cc1ccccc1O ZINC001140990489 804563422 /nfs/dbraw/zinc/56/34/22/804563422.db2.gz BXXGERTZDUSOTE-UHFFFAOYSA-N 1 1 293.313 3.398 20 10 CGCDMO CC[N@@H+](Cc1cc(F)c(O)c(F)c1)Cc1ccccc1O ZINC001140990489 804563428 /nfs/dbraw/zinc/56/34/28/804563428.db2.gz BXXGERTZDUSOTE-UHFFFAOYSA-N 1 1 293.313 3.398 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](C)[C@@H]2C)c(OC)c1 ZINC001141028203 804575684 /nfs/dbraw/zinc/57/56/84/804575684.db2.gz FUWZJNUALPNFFK-NEPJUHHUSA-N 1 1 279.380 3.030 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCN3C)[C@H]1C ZINC001141142829 804596769 /nfs/dbraw/zinc/59/67/69/804596769.db2.gz BYUPMMYIJMEKPQ-KGLIPLIRSA-N 1 1 274.408 3.136 20 10 CGCDMO CN1CCOc2cc(C[N@H+]3CC[C@@H]4CCC[C@@H]4C3)ccc21 ZINC001141142091 804596832 /nfs/dbraw/zinc/59/68/32/804596832.db2.gz FEPXHYBJMYVELK-JKSUJKDBSA-N 1 1 286.419 3.137 20 10 CGCDMO CC(C)[C@H]1CCC[N@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141145631 804597911 /nfs/dbraw/zinc/59/79/11/804597911.db2.gz XCWLOQFGOVAKMK-OAHLLOKOSA-N 1 1 274.408 3.136 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CCC[C@H]2c2cccs2)c1 ZINC001141158663 804599834 /nfs/dbraw/zinc/59/98/34/804599834.db2.gz ITAGFRVVXJDIGB-ZDUSSCGKSA-N 1 1 275.373 3.496 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC001141158669 804600565 /nfs/dbraw/zinc/60/05/65/804600565.db2.gz IXYIWPXMOSFJJU-OAHLLOKOSA-N 1 1 283.371 3.477 20 10 CGCDMO CC[N@H+](Cc1cc(O)ccc1O)Cc1cccc(F)c1F ZINC001141162608 804601345 /nfs/dbraw/zinc/60/13/45/804601345.db2.gz XAQKBVUJFLSMRA-UHFFFAOYSA-N 1 1 293.313 3.398 20 10 CGCDMO CC[N@@H+](Cc1cc(O)ccc1O)Cc1cccc(F)c1F ZINC001141162608 804601348 /nfs/dbraw/zinc/60/13/48/804601348.db2.gz XAQKBVUJFLSMRA-UHFFFAOYSA-N 1 1 293.313 3.398 20 10 CGCDMO C[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142509062 804727794 /nfs/dbraw/zinc/72/77/94/804727794.db2.gz VZPLAZHXTQFWHJ-JTQLQIEISA-N 1 1 255.308 3.292 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142509062 804727796 /nfs/dbraw/zinc/72/77/96/804727796.db2.gz VZPLAZHXTQFWHJ-JTQLQIEISA-N 1 1 255.308 3.292 20 10 CGCDMO C[C@H]1CCCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142509132 804728678 /nfs/dbraw/zinc/72/86/78/804728678.db2.gz YCMFVKIDHCEFBL-JTQLQIEISA-N 1 1 255.308 3.292 20 10 CGCDMO C[C@H]1CCCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142509132 804728682 /nfs/dbraw/zinc/72/86/82/804728682.db2.gz YCMFVKIDHCEFBL-JTQLQIEISA-N 1 1 255.308 3.292 20 10 CGCDMO CC[N@@H+](Cc1ccccn1)Cc1cc(F)c(F)cc1[O-] ZINC001142525013 804731585 /nfs/dbraw/zinc/73/15/85/804731585.db2.gz TUJJQHXSWVVZIZ-UHFFFAOYSA-N 1 1 278.302 3.088 20 10 CGCDMO CC[N@@H+](Cc1ccccn1)Cc1cc(F)c(F)cc1O ZINC001142525013 804731593 /nfs/dbraw/zinc/73/15/93/804731593.db2.gz TUJJQHXSWVVZIZ-UHFFFAOYSA-N 1 1 278.302 3.088 20 10 CGCDMO COc1cccc(C[N@H+](C)Cc2cc(F)c(F)cc2O)c1 ZINC001142520981 804731676 /nfs/dbraw/zinc/73/16/76/804731676.db2.gz SIFSKQLYXYBWCF-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2cc(F)c(F)cc2O)c1 ZINC001142520981 804731677 /nfs/dbraw/zinc/73/16/77/804731677.db2.gz SIFSKQLYXYBWCF-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO C[C@H]1CC[C@H](CO)C[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143104001 804801882 /nfs/dbraw/zinc/80/18/82/804801882.db2.gz NZEDGZZFIRCCCV-KBPBESRZSA-N 1 1 291.435 3.283 20 10 CGCDMO C[C@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)CCC1=O ZINC001143103636 804801908 /nfs/dbraw/zinc/80/19/08/804801908.db2.gz IDLOGDCMQYZNMI-LBPRGKRZSA-N 1 1 275.392 3.101 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)CCC1=O ZINC001143103636 804801914 /nfs/dbraw/zinc/80/19/14/804801914.db2.gz IDLOGDCMQYZNMI-LBPRGKRZSA-N 1 1 275.392 3.101 20 10 CGCDMO CC(C)(C)c1cccc(C[N@@H+]2CCOCC23CC3)c1O ZINC001143112477 804802963 /nfs/dbraw/zinc/80/29/63/804802963.db2.gz RZNKBBMHVUJJKZ-UHFFFAOYSA-N 1 1 275.392 3.055 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CCOCC23CC3)c1O ZINC001143112477 804802970 /nfs/dbraw/zinc/80/29/70/804802970.db2.gz RZNKBBMHVUJJKZ-UHFFFAOYSA-N 1 1 275.392 3.055 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(Cl)c(C(C)(C)C)cc2O)C[C@H]1O ZINC001248881142 805029546 /nfs/dbraw/zinc/02/95/46/805029546.db2.gz RGVABSUWLPMRGD-ZUZCIYMTSA-N 1 1 297.826 3.156 20 10 CGCDMO CCCCOC(=O)CC[C@H](C)[N@@H+](C)Cc1ccccc1O ZINC001257403620 807139685 /nfs/dbraw/zinc/13/96/85/807139685.db2.gz UJWGBGPFRVCFSL-AWEZNQCLSA-N 1 1 293.407 3.336 20 10 CGCDMO Cc1c(C[N@@H+]2CCCC3(CN(C)C3)C2)c2ccccc2n1C ZINC001276556924 809016285 /nfs/dbraw/zinc/01/62/85/809016285.db2.gz TVBYZECWJPWNAR-UHFFFAOYSA-N 1 1 297.446 3.014 20 10 CGCDMO CCCOc1ccc(CNCC(C)(C)C[NH+](C)C)cc1C ZINC001177093459 809780138 /nfs/dbraw/zinc/78/01/38/809780138.db2.gz TXQQHFJMMGVFMO-UHFFFAOYSA-N 1 1 292.467 3.461 20 10 CGCDMO CCCOc1ccc(C[NH2+]CC(C)(C)CN(C)C)cc1C ZINC001177093459 809780143 /nfs/dbraw/zinc/78/01/43/809780143.db2.gz TXQQHFJMMGVFMO-UHFFFAOYSA-N 1 1 292.467 3.461 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1CCc2ccccc21 ZINC001177855183 809826175 /nfs/dbraw/zinc/82/61/75/809826175.db2.gz NKUSPTYZJMVXGM-GFCCVEGCSA-N 1 1 289.325 3.490 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@@H+](CCO)C2CCCC2)c1 ZINC001180488112 810005956 /nfs/dbraw/zinc/00/59/56/810005956.db2.gz CZGHWNRWJWOCRP-UHFFFAOYSA-N 1 1 277.408 3.253 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC001181741668 810069521 /nfs/dbraw/zinc/06/95/21/810069521.db2.gz TZDIIDRAVWPZKI-UKRRQHHQSA-N 1 1 281.783 3.189 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC001183371725 810147370 /nfs/dbraw/zinc/14/73/70/810147370.db2.gz SAJDFVQTJBGYQO-HZPDHXFCSA-N 1 1 290.476 3.246 20 10 CGCDMO Cc1cc(C[C@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)n[nH]1 ZINC001201441459 811847172 /nfs/dbraw/zinc/84/71/72/811847172.db2.gz BECBYFQYONWVPJ-AWEZNQCLSA-N 1 1 298.434 3.039 20 10 CGCDMO CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC001203551952 812390980 /nfs/dbraw/zinc/39/09/80/812390980.db2.gz URWORYSPQFZVGV-WBVHZDCISA-N 1 1 275.392 3.031 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@](C)(F)CC2)c1O ZINC001203584871 812400372 /nfs/dbraw/zinc/40/03/72/812400372.db2.gz JDHVEMQDKNVVBE-HNNXBMFYSA-N 1 1 267.344 3.115 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@H]2Cc2ccccn2)c1O ZINC001203595552 812404050 /nfs/dbraw/zinc/40/40/50/812404050.db2.gz IJFBFCHDGPQQTM-INIZCTEOSA-N 1 1 298.386 3.003 20 10 CGCDMO CCOc1cccc(C[NH+]2CC(Oc3ccccc3)C2)c1O ZINC001203609278 812405317 /nfs/dbraw/zinc/40/53/17/812405317.db2.gz OAIQLLWLGDPKBJ-UHFFFAOYSA-N 1 1 299.370 3.054 20 10 CGCDMO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2O)[C@](C)(CO)C1 ZINC001203651867 812414977 /nfs/dbraw/zinc/41/49/77/812414977.db2.gz YOTQNAKAPKDMNE-HNNXBMFYSA-N 1 1 283.799 3.029 20 10 CGCDMO Oc1ccc(Cl)cc1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC001203648794 812416080 /nfs/dbraw/zinc/41/60/80/812416080.db2.gz UXVUEOLMSPDYRJ-UHFFFAOYSA-N 1 1 273.710 3.277 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001203651160 812416166 /nfs/dbraw/zinc/41/61/66/812416166.db2.gz JPUMPWBPCSEECS-KOLCDFICSA-N 1 1 273.710 3.133 20 10 CGCDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(O)c(O)c2)cc1 ZINC001203879714 812479002 /nfs/dbraw/zinc/47/90/02/812479002.db2.gz ZAZDIDKTHVMKHN-MRXNPFEDSA-N 1 1 299.370 3.444 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](C(F)F)C2)cc1 ZINC001203933655 812496598 /nfs/dbraw/zinc/49/65/98/812496598.db2.gz DIKRFERPMKIUGX-ZDUSSCGKSA-N 1 1 268.351 3.230 20 10 CGCDMO CN(C)c1ccc(C[NH+]2CCC(=O)CC2)c2ccccc21 ZINC001204234145 812581490 /nfs/dbraw/zinc/58/14/90/812581490.db2.gz XQVMQBCVKRWLIG-UHFFFAOYSA-N 1 1 282.387 3.071 20 10 CGCDMO COc1cc(C[N@@H+](C)CC2CCCCC2)cc(O)c1O ZINC001204344763 812615725 /nfs/dbraw/zinc/61/57/25/812615725.db2.gz CQNLKWMPRRGDDT-UHFFFAOYSA-N 1 1 279.380 3.119 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CN)c2ccccc21 ZINC001204925301 812777923 /nfs/dbraw/zinc/77/79/23/812777923.db2.gz PRVOPXTUNFXGLL-MRXNPFEDSA-N 1 1 297.446 3.219 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2CN)c2ccccc21 ZINC001204925301 812777925 /nfs/dbraw/zinc/77/79/25/812777925.db2.gz PRVOPXTUNFXGLL-MRXNPFEDSA-N 1 1 297.446 3.219 20 10 CGCDMO C[C@@H]1CC[C@H](CN)[N@@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001205841834 813104155 /nfs/dbraw/zinc/10/41/55/813104155.db2.gz LJAOBMZBDSQMAA-CZUORRHYSA-N 1 1 290.451 3.249 20 10 CGCDMO C[C@@H]1CC[C@H](C[NH3+])N(Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001205841834 813104157 /nfs/dbraw/zinc/10/41/57/813104157.db2.gz LJAOBMZBDSQMAA-CZUORRHYSA-N 1 1 290.451 3.249 20 10 CGCDMO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)C[C@H](CC)O1 ZINC001206351669 813299491 /nfs/dbraw/zinc/29/94/91/813299491.db2.gz WGAZNLXOLBNSLT-HDICACEKSA-N 1 1 290.451 3.450 20 10 CGCDMO Cc1c(C[N@@H+]2CCCC[C@](C)(CN)C2)c2ccccc2n1C ZINC001206549812 813348263 /nfs/dbraw/zinc/34/82/63/813348263.db2.gz QBGOZYNLCFNBFB-LJQANCHMSA-N 1 1 299.462 3.438 20 10 CGCDMO Cc1c(C[N@H+]2CCCC[C@](C)(CN)C2)c2ccccc2n1C ZINC001206549812 813348267 /nfs/dbraw/zinc/34/82/67/813348267.db2.gz QBGOZYNLCFNBFB-LJQANCHMSA-N 1 1 299.462 3.438 20 10 CGCDMO CC[N@H+](Cc1csc(C)n1)Cc1ccccc1O ZINC001206804970 813442010 /nfs/dbraw/zinc/44/20/10/813442010.db2.gz IJIUSHIRUUFZJS-UHFFFAOYSA-N 1 1 262.378 3.179 20 10 CGCDMO CC[N@@H+](Cc1csc(C)n1)Cc1ccccc1O ZINC001206804970 813442014 /nfs/dbraw/zinc/44/20/14/813442014.db2.gz IJIUSHIRUUFZJS-UHFFFAOYSA-N 1 1 262.378 3.179 20 10 CGCDMO Oc1cc(Cl)ccc1C[NH2+][C@@H]1CCCC12CC2 ZINC001207066876 813476188 /nfs/dbraw/zinc/47/61/88/813476188.db2.gz LKHIBJYXYDBLMO-CYBMUJFWSA-N 1 1 251.757 3.468 20 10 CGCDMO CC[N@@H+](CCOCc1ccccc1)Cc1ccccc1O ZINC001207236604 813519951 /nfs/dbraw/zinc/51/99/51/813519951.db2.gz MXAGZLDHSYJIIC-UHFFFAOYSA-N 1 1 285.387 3.431 20 10 CGCDMO CC[N@@H+](CCc1cccc(OC)c1)Cc1ccccc1O ZINC001207433843 813565712 /nfs/dbraw/zinc/56/57/12/813565712.db2.gz ZGSJUIDORSALGO-UHFFFAOYSA-N 1 1 285.387 3.465 20 10 CGCDMO Oc1cccc2c1C[N@@H+](CCc1ccc(F)cc1)CC2 ZINC001207516724 813583457 /nfs/dbraw/zinc/58/34/57/813583457.db2.gz HQZXGGMQHHAMTB-UHFFFAOYSA-N 1 1 271.335 3.132 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)CC2(C)CCOCC2)cc1 ZINC001208078354 813688982 /nfs/dbraw/zinc/68/89/82/813688982.db2.gz NGIYOTOTCCOOST-UHFFFAOYSA-N 1 1 276.424 3.001 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)CC1C[C@@H](C)O[C@H](C)C1 ZINC001209399030 814014857 /nfs/dbraw/zinc/01/48/57/814014857.db2.gz RQQWDKRNRSDLDD-ZIAGYGMSSA-N 1 1 277.408 3.418 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+](C)CCCN(C)C)cc1 ZINC001209519445 814073074 /nfs/dbraw/zinc/07/30/74/814073074.db2.gz URYJTRQPHSMAIQ-UHFFFAOYSA-N 1 1 299.462 3.478 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+](C)CCCN(C)C)cc1 ZINC001209519445 814073079 /nfs/dbraw/zinc/07/30/79/814073079.db2.gz URYJTRQPHSMAIQ-UHFFFAOYSA-N 1 1 299.462 3.478 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+]2CCNC[C@@H]2c2ccccc2)c1O ZINC001210215381 814344811 /nfs/dbraw/zinc/34/48/11/814344811.db2.gz HOBYYZGNNDJTRC-GOSISDBHSA-N 1 1 296.414 3.156 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCNC[C@@H]2c2ccccc2)c1O ZINC001210215381 814344818 /nfs/dbraw/zinc/34/48/18/814344818.db2.gz HOBYYZGNNDJTRC-GOSISDBHSA-N 1 1 296.414 3.156 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)c1O ZINC001231590980 818131888 /nfs/dbraw/zinc/13/18/88/818131888.db2.gz MXYPOMCJUHGLKF-HUUCEWRRSA-N 1 1 273.376 3.034 20 10 CGCDMO Cc1cccc(O[C@H]2CC[N@@H+](Cc3cccc(C)c3O)C2)n1 ZINC001231594440 818131941 /nfs/dbraw/zinc/13/19/41/818131941.db2.gz FDPGXZRKPBHZFG-INIZCTEOSA-N 1 1 298.386 3.057 20 10 CGCDMO Cc1cccc(C[N@@H+]2CCC(=O)[C@@H](C)C23CCCC3)c1O ZINC001231595490 818133534 /nfs/dbraw/zinc/13/35/34/818133534.db2.gz WUUABMXWZAHDPB-CQSZACIVSA-N 1 1 287.403 3.424 20 10 CGCDMO COc1cc(C[N@H+]2CCC23CCCCC3)c(O)cc1O ZINC001231633665 818144498 /nfs/dbraw/zinc/14/44/98/818144498.db2.gz RUIXIXMVYIAWEP-UHFFFAOYSA-N 1 1 277.364 3.015 20 10 CGCDMO 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C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236921412 819636351 /nfs/dbraw/zinc/63/63/51/819636351.db2.gz GELHSSIUEMBWFO-ZDUSSCGKSA-N 1 1 294.826 3.018 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCc3cccc(O)c3C2)c(O)c1 ZINC001237045899 819649948 /nfs/dbraw/zinc/64/99/48/819649948.db2.gz KGGZDZHHSAKOCJ-UHFFFAOYSA-N 1 1 299.370 3.055 20 10 CGCDMO CCC[N@H+](CC(=O)OCC)Cc1ccc(C(C)C)cc1O ZINC001237055386 819654867 /nfs/dbraw/zinc/65/48/67/819654867.db2.gz NVTDFKXWATXHDU-UHFFFAOYSA-N 1 1 293.407 3.291 20 10 CGCDMO CCC[N@@H+](CC(=O)OCC)Cc1ccc(C(C)C)cc1O ZINC001237055386 819654873 /nfs/dbraw/zinc/65/48/73/819654873.db2.gz NVTDFKXWATXHDU-UHFFFAOYSA-N 1 1 293.407 3.291 20 10 CGCDMO C[N@H+](Cc1c(O)ccc(Cl)c1Cl)C1CCOCC1 ZINC001237077852 819659891 /nfs/dbraw/zinc/65/98/91/819659891.db2.gz LAUNBSIOEIIQIQ-UHFFFAOYSA-N 1 1 290.190 3.310 20 10 CGCDMO C[N@@H+](Cc1c(O)ccc(Cl)c1Cl)C1CCOCC1 ZINC001237077852 819659893 /nfs/dbraw/zinc/65/98/93/819659893.db2.gz LAUNBSIOEIIQIQ-UHFFFAOYSA-N 1 1 290.190 3.310 20 10 CGCDMO CC(C)[N@H+](CCCO)Cc1c(O)ccc(Cl)c1Cl ZINC001237083030 819664271 /nfs/dbraw/zinc/66/42/71/819664271.db2.gz WXVXFEJJKBLJNR-UHFFFAOYSA-N 1 1 292.206 3.292 20 10 CGCDMO CC(C)[N@@H+](CCCO)Cc1c(O)ccc(Cl)c1Cl ZINC001237083030 819664273 /nfs/dbraw/zinc/66/42/73/819664273.db2.gz WXVXFEJJKBLJNR-UHFFFAOYSA-N 1 1 292.206 3.292 20 10 CGCDMO Oc1ccc(F)c(Cl)c1C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001237124948 819672819 /nfs/dbraw/zinc/67/28/19/819672819.db2.gz SWMBDEHYLXSBRO-IINYFYTJSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1c(C[N@H+]2CCNC3=CCCC[C@H]32)ccc2ccccc21 ZINC001237225762 819705587 /nfs/dbraw/zinc/70/55/87/819705587.db2.gz QWKIUMFSCSQOJC-GOSISDBHSA-N 1 1 294.398 3.387 20 10 CGCDMO CC[N@H+](Cc1nc(C)co1)Cc1ccc(N(C)C)cc1 ZINC001237642474 819794739 /nfs/dbraw/zinc/79/47/39/819794739.db2.gz JVEDRQPERIIGEJ-UHFFFAOYSA-N 1 1 273.380 3.071 20 10 CGCDMO CC[N@@H+](Cc1nc(C)co1)Cc1ccc(N(C)C)cc1 ZINC001237642474 819794743 /nfs/dbraw/zinc/79/47/43/819794743.db2.gz JVEDRQPERIIGEJ-UHFFFAOYSA-N 1 1 273.380 3.071 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H]2C)cc1Br ZINC001237678435 819804201 /nfs/dbraw/zinc/80/42/01/819804201.db2.gz ZADZTSKJLMULMD-VIFPVBQESA-N 1 1 270.170 3.057 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c1O ZINC001237681773 819806323 /nfs/dbraw/zinc/80/63/23/819806323.db2.gz RKEQFRRACNUBBP-BLLLJJGKSA-N 1 1 297.826 3.337 20 10 CGCDMO COc1ccc(C)c(C[N@H+]2CCc3cccc(O)c3C2)c1 ZINC001237708740 819814920 /nfs/dbraw/zinc/81/49/20/819814920.db2.gz AAVBKALCQIUYLZ-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO [O-]c1c(Cl)cc(F)cc1C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001237799173 819845518 /nfs/dbraw/zinc/84/55/18/819845518.db2.gz DSTZZDDWUBNCAB-IINYFYTJSA-N 1 1 299.773 3.186 20 10 CGCDMO CCc1ncc(C[N@H+](CC)Cc2ccccc2O)s1 ZINC001237828121 819852135 /nfs/dbraw/zinc/85/21/35/819852135.db2.gz HWBNBPKCIJUPEP-UHFFFAOYSA-N 1 1 276.405 3.433 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001237935173 819887115 /nfs/dbraw/zinc/88/71/15/819887115.db2.gz QXULQKSJRYGQNO-ZUZCIYMTSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001237935173 819887127 /nfs/dbraw/zinc/88/71/27/819887127.db2.gz QXULQKSJRYGQNO-ZUZCIYMTSA-N 1 1 299.773 3.186 20 10 CGCDMO COCC[N@H+](Cc1cc(F)c(Cl)cc1O)C(C)C ZINC001237937656 819888298 /nfs/dbraw/zinc/88/82/98/819888298.db2.gz SVSHNYMNVLATQD-UHFFFAOYSA-N 1 1 275.751 3.042 20 10 CGCDMO COCC[N@@H+](Cc1cc(F)c(Cl)cc1O)C(C)C ZINC001237937656 819888307 /nfs/dbraw/zinc/88/83/07/819888307.db2.gz SVSHNYMNVLATQD-UHFFFAOYSA-N 1 1 275.751 3.042 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@@H+]1CCCC12CC2 ZINC001237946910 819890959 /nfs/dbraw/zinc/89/09/59/819890959.db2.gz ORABRGYFGRLUQM-UHFFFAOYSA-N 1 1 255.720 3.313 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@H+]1CCCC12CC2 ZINC001237946910 819890969 /nfs/dbraw/zinc/89/09/69/819890969.db2.gz ORABRGYFGRLUQM-UHFFFAOYSA-N 1 1 255.720 3.313 20 10 CGCDMO Cc1sccc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001237968701 819898942 /nfs/dbraw/zinc/89/89/42/819898942.db2.gz PXQLOHAQCYAJSA-UHFFFAOYSA-N 1 1 259.374 3.320 20 10 CGCDMO CCn1ccc(C2=CCC[N@@H+](Cc3ccccc3)C2)cc1=O ZINC001240388374 821011576 /nfs/dbraw/zinc/01/15/76/821011576.db2.gz AUUQOQZORNCMST-UHFFFAOYSA-N 1 1 294.398 3.158 20 10 CGCDMO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(N)cc1 ZINC001356082890 937152620 /nfs/dbraw/zinc/15/26/20/937152620.db2.gz HFULZHFUEARBLN-MFKMUULPSA-N 1 1 272.314 3.432 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H]1CCCN(CC)C1)c1ccccc1O ZINC000155480647 928253704 /nfs/dbraw/zinc/25/37/04/928253704.db2.gz IPOBFUOGBURYDQ-GOEBONIOSA-N 1 1 276.424 3.165 20 10 CGCDMO Cc1cc(N(C)C)ccc1CN(C)CC(C)(C)C[NH+](C)C ZINC001561039473 937239816 /nfs/dbraw/zinc/23/98/16/937239816.db2.gz SOKSLVVRFLVFEI-UHFFFAOYSA-N 1 1 291.483 3.081 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)CC(C)(C)CN(C)C ZINC001561039473 937239818 /nfs/dbraw/zinc/23/98/18/937239818.db2.gz SOKSLVVRFLVFEI-UHFFFAOYSA-N 1 1 291.483 3.081 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+](C)CC(C)(C)CN(C)C ZINC001561039473 937239820 /nfs/dbraw/zinc/23/98/20/937239820.db2.gz SOKSLVVRFLVFEI-UHFFFAOYSA-N 1 1 291.483 3.081 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCC[C@](C)(F)C2)c1O ZINC001140178423 931956860 /nfs/dbraw/zinc/95/68/60/931956860.db2.gz LHWGXPRXHYKONC-HNNXBMFYSA-N 1 1 251.345 3.333 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@@]3(C2)CCCCO3)c1O ZINC001140178443 931957080 /nfs/dbraw/zinc/95/70/80/931957080.db2.gz LSNLBQBSLUIBNM-QGZVFWFLSA-N 1 1 275.392 3.154 20 10 CGCDMO C=C/C=C\CC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC001461722580 937592734 /nfs/dbraw/zinc/59/27/34/937592734.db2.gz OFHUFZAJORWVMF-ARJAWSKDSA-N 1 1 255.720 3.407 20 10 CGCDMO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2O)C1(C)C ZINC001461880601 937604007 /nfs/dbraw/zinc/60/40/07/937604007.db2.gz KATBCSVIPPUXFD-ZBFHGGJFSA-N 1 1 299.361 3.306 20 10 CGCDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2cc(F)c(F)cc2O)C1(C)C ZINC001461880601 937604008 /nfs/dbraw/zinc/60/40/08/937604008.db2.gz KATBCSVIPPUXFD-ZBFHGGJFSA-N 1 1 299.361 3.306 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c1O ZINC000383665997 932740369 /nfs/dbraw/zinc/74/03/69/932740369.db2.gz RVXZDSNGFREYPR-LLVKDONJSA-N 1 1 289.297 3.175 20 10 CGCDMO CC[C@@H](C)[N@@H+](C)CCNCc1c(O)cc(C)cc1Cl ZINC001308240387 933078391 /nfs/dbraw/zinc/07/83/91/933078391.db2.gz PWNHQPSPNNLYTO-GFCCVEGCSA-N 1 1 284.831 3.174 20 10 CGCDMO CC[C@@H](C)N(C)CC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC001308240387 933078394 /nfs/dbraw/zinc/07/83/94/933078394.db2.gz PWNHQPSPNNLYTO-GFCCVEGCSA-N 1 1 284.831 3.174 20 10 CGCDMO C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(Cl)cc2O)CCO1 ZINC001308685631 933158703 /nfs/dbraw/zinc/15/87/03/933158703.db2.gz XMVWCAQSUGVKON-NEPJUHHUSA-N 1 1 283.799 3.340 20 10 CGCDMO CC[C@H]1CC[N@@H+](Cc2c(C)cc(OC)cc2O)[C@H]1C ZINC001308706223 933163143 /nfs/dbraw/zinc/16/31/43/933163143.db2.gz TWHXWSUDECLVHF-STQMWFEESA-N 1 1 263.381 3.330 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC001308951777 933211246 /nfs/dbraw/zinc/21/12/46/933211246.db2.gz FLWJVTHVNSXHQE-GFCCVEGCSA-N 1 1 297.345 3.252 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001319691648 933915164 /nfs/dbraw/zinc/91/51/64/933915164.db2.gz QOTFSHMONWREME-INIZCTEOSA-N 1 1 297.398 3.465 20 10 CGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CCCSCC1 ZINC001320138437 934006611 /nfs/dbraw/zinc/00/66/11/934006611.db2.gz KFISXPTZHBVJON-UHFFFAOYSA-N 1 1 276.449 3.226 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC(C)(C)C2(C)C)c(O)c1 ZINC001320508703 934057456 /nfs/dbraw/zinc/05/74/56/934057456.db2.gz GUHNDQMQLWUBPI-UHFFFAOYSA-N 1 1 263.381 3.411 20 10 CGCDMO C[C@H]1CSCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001321090331 934148219 /nfs/dbraw/zinc/14/82/19/934148219.db2.gz JTWQPQMZTFLLTF-OAHLLOKOSA-N 1 1 290.476 3.472 20 10 CGCDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@]12CCOC2 ZINC001325475977 934914438 /nfs/dbraw/zinc/91/44/38/934914438.db2.gz SXROCCXTDLKVJR-IBGZPJMESA-N 1 1 295.382 3.424 20 10 CGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC001330780432 935321586 /nfs/dbraw/zinc/32/15/86/935321586.db2.gz SLGGABKEPXQOIA-HOTGVXAUSA-N 1 1 256.393 3.129 20 10 CGCDMO COc1cccc([C@@]2(C)CC[N@@H+](Cc3ccc(N)cc3)C2)c1 ZINC001335287756 936136997 /nfs/dbraw/zinc/13/69/97/936136997.db2.gz AQOIJVFTSKHJKY-IBGZPJMESA-N 1 1 296.414 3.441 20 10 CGCDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(N)cc2)C12CCC2 ZINC001336286665 936186279 /nfs/dbraw/zinc/18/62/79/936186279.db2.gz UEXQUHHUPBRMGM-HOTGVXAUSA-N 1 1 274.408 3.048 20 10 CGCDMO CS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2O)C1 ZINC001337074198 936235821 /nfs/dbraw/zinc/23/58/21/936235821.db2.gz ZAAOIWDOGHTUBR-OLZOCXBDSA-N 1 1 251.395 3.108 20 10 CGCDMO Cc1csc([C@@H]2CC[N@@H+](Cc3ccc(N)cc3)C2)n1 ZINC001337838583 936293923 /nfs/dbraw/zinc/29/39/23/936293923.db2.gz PTYRWSAYGBREPP-CYBMUJFWSA-N 1 1 273.405 3.023 20 10 CGCDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001474582972 937868580 /nfs/dbraw/zinc/86/85/80/937868580.db2.gz VDDAZUJLKNWLQG-SECBINFHSA-N 1 1 255.308 3.291 20 10 CGCDMO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1cc(F)cc(F)c1O ZINC001474582972 937868582 /nfs/dbraw/zinc/86/85/82/937868582.db2.gz VDDAZUJLKNWLQG-SECBINFHSA-N 1 1 255.308 3.291 20 10 CGCDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1cc(F)cc(F)c1O ZINC001474582972 937868583 /nfs/dbraw/zinc/86/85/83/937868583.db2.gz VDDAZUJLKNWLQG-SECBINFHSA-N 1 1 255.308 3.291 20 10 CGCDMO C[N@H+](Cc1cc(F)c(F)cc1O)C1CC(OC(C)(C)C)C1 ZINC001474586383 937868973 /nfs/dbraw/zinc/86/89/73/937868973.db2.gz PYAKLAWYVQQQDM-UHFFFAOYSA-N 1 1 299.361 3.448 20 10 CGCDMO C[N@@H+](Cc1cc(F)c(F)cc1O)C1CC(OC(C)(C)C)C1 ZINC001474586383 937868974 /nfs/dbraw/zinc/86/89/74/937868974.db2.gz PYAKLAWYVQQQDM-UHFFFAOYSA-N 1 1 299.361 3.448 20 10 CGCDMO CS[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)c(F)cc1O ZINC001474610599 937870026 /nfs/dbraw/zinc/87/00/26/937870026.db2.gz HLTVFUGRJFBHNJ-TZMCWYRMSA-N 1 1 287.375 3.434 20 10 CGCDMO CC(C)(C)OCCC[NH2+]Cc1ccc(Cl)cc1O ZINC001560921772 938284054 /nfs/dbraw/zinc/28/40/54/938284054.db2.gz YHCIWPZFJBMXKA-UHFFFAOYSA-N 1 1 271.788 3.340 20 10 CGCDMO C[C@H]([NH2+]C[C@@H](N)CCC(C)(C)C)c1ccccc1O ZINC001579485642 962629866 /nfs/dbraw/zinc/62/98/66/962629866.db2.gz CXMGGELQSWYHMF-STQMWFEESA-N 1 1 264.413 3.196 20 10 CGCDMO C[C@H]([NH2+]C[C@H](N)CCC(C)(C)C)c1ccccc1O ZINC001579485641 962632283 /nfs/dbraw/zinc/63/22/83/962632283.db2.gz CXMGGELQSWYHMF-QWHCGFSZSA-N 1 1 264.413 3.196 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)C2CCC(OC)CC2)c1 ZINC000093415142 345877799 /nfs/dbraw/zinc/87/77/99/345877799.db2.gz ABMICPIAVCBZRY-UHFFFAOYSA-N 1 1 293.407 3.180 20 10 CGCDMO C[N@@H+](Cc1c(O)ccc2ccccc21)[C@H]1CCSC1 ZINC000125028216 370928551 /nfs/dbraw/zinc/92/85/51/370928551.db2.gz OMKZSKLBNAFNER-ZDUSSCGKSA-N 1 1 273.401 3.483 20 10 CGCDMO CC[C@@H]([NH2+]CC1(SC)CC1)c1ccc(F)cc1O ZINC000287625427 371684517 /nfs/dbraw/zinc/68/45/17/371684517.db2.gz TWOSVPUYBLMXOB-GFCCVEGCSA-N 1 1 269.385 3.468 20 10 CGCDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cccc(C)c1O ZINC000290303139 371958164 /nfs/dbraw/zinc/95/81/64/371958164.db2.gz BMFBTNLDRFLFDH-HNNXBMFYSA-N 1 1 285.391 3.378 20 10 CGCDMO C[C@@H]1C[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000293660818 372441045 /nfs/dbraw/zinc/44/10/45/372441045.db2.gz PPJJWUGDMAGTIV-ZJUUUORDSA-N 1 1 287.762 3.089 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCCO[C@H](C(C)C)C2)c1 ZINC000294144996 372593081 /nfs/dbraw/zinc/59/30/81/372593081.db2.gz VBDIMEOCJMBXQD-KRWDZBQOSA-N 1 1 293.407 3.038 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1C ZINC000294214137 372616193 /nfs/dbraw/zinc/61/61/93/372616193.db2.gz YKHPQESGYKTVMH-ROUUACIJSA-N 1 1 287.403 3.152 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])CCCO1 ZINC000294564233 372660659 /nfs/dbraw/zinc/66/06/59/372660659.db2.gz FZQIDDCLTSWVFY-LLVKDONJSA-N 1 1 287.762 3.186 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)CCCO1 ZINC000294564233 372660664 /nfs/dbraw/zinc/66/06/64/372660664.db2.gz FZQIDDCLTSWVFY-LLVKDONJSA-N 1 1 287.762 3.186 20 10 CGCDMO Oc1c(F)cccc1C[NH2+]C[C@@H]1CCCCC1(F)F ZINC000295033519 372688410 /nfs/dbraw/zinc/68/84/10/372688410.db2.gz DJYGZVMTOKFICR-NSHDSACASA-N 1 1 273.298 3.446 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)CC1(C)C ZINC000295122704 372694105 /nfs/dbraw/zinc/69/41/05/372694105.db2.gz XOORGWBDCVHNHI-CQSZACIVSA-N 1 1 283.799 3.293 20 10 CGCDMO C[N@@H+](Cc1cc(Cl)c(F)cc1O)C[C@@H]1CCCOC1 ZINC000295399579 372764368 /nfs/dbraw/zinc/76/43/68/372764368.db2.gz QNYJVVPZFXIVAZ-JTQLQIEISA-N 1 1 287.762 3.043 20 10 CGCDMO C[N@H+](Cc1cc(Cl)c(F)cc1O)C[C@@H]1CCCOC1 ZINC000295399579 372764374 /nfs/dbraw/zinc/76/43/74/372764374.db2.gz QNYJVVPZFXIVAZ-JTQLQIEISA-N 1 1 287.762 3.043 20 10 CGCDMO Cc1cccc(C[N@H+]2CCO[C@H](c3cccs3)C2)c1O ZINC000179887764 373933913 /nfs/dbraw/zinc/93/39/13/373933913.db2.gz MIDBQWYYRFIDKL-AWEZNQCLSA-N 1 1 289.400 3.336 20 10 CGCDMO Cc1cccc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)c1O ZINC000179937663 373941346 /nfs/dbraw/zinc/94/13/46/373941346.db2.gz LDJCATUAFRKEBK-CQSZACIVSA-N 1 1 271.364 3.151 20 10 CGCDMO Cc1ccc(NC(=O)C[N@H+](C)Cc2cccc(C)c2O)cc1 ZINC000183481221 374418823 /nfs/dbraw/zinc/41/88/23/374418823.db2.gz YANJSJZGYFUVSY-UHFFFAOYSA-N 1 1 298.386 3.080 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCS[C@H](C)CC2)c1 ZINC000190700188 375532892 /nfs/dbraw/zinc/53/28/92/375532892.db2.gz NGEDJWGVYNOXNX-GFCCVEGCSA-N 1 1 281.421 3.118 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000191379260 375620032 /nfs/dbraw/zinc/62/00/32/375620032.db2.gz XFEYAXQVSREDKR-YGRLFVJLSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000191379260 375620038 /nfs/dbraw/zinc/62/00/38/375620038.db2.gz XFEYAXQVSREDKR-YGRLFVJLSA-N 1 1 299.773 3.186 20 10 CGCDMO CCC[N@@H+](CCO[C@@H]1CCCCO1)Cc1ccccc1O ZINC000193060680 375820143 /nfs/dbraw/zinc/82/01/43/375820143.db2.gz MMPOXGAJWQYYPQ-QGZVFWFLSA-N 1 1 293.407 3.147 20 10 CGCDMO CO[C@]1(C)CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000230300129 376501911 /nfs/dbraw/zinc/50/19/11/376501911.db2.gz VBGISYXYEREQNU-CQSZACIVSA-N 1 1 269.772 3.047 20 10 CGCDMO CCCOc1ccc(C[N@@H+](C)Cc2ccccn2)c(O)c1 ZINC000273402347 378743906 /nfs/dbraw/zinc/74/39/06/378743906.db2.gz MJMQBZJFAQGZJC-UHFFFAOYSA-N 1 1 286.375 3.208 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375321329 379489791 /nfs/dbraw/zinc/48/97/91/379489791.db2.gz PRHHDXQJFMLFSD-OCCSQVGLSA-N 1 1 299.773 3.328 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375321329 379489799 /nfs/dbraw/zinc/48/97/99/379489799.db2.gz PRHHDXQJFMLFSD-OCCSQVGLSA-N 1 1 299.773 3.328 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)cc1C ZINC000281366176 379831479 /nfs/dbraw/zinc/83/14/79/379831479.db2.gz VEEUWXKXJVRQNC-QGZVFWFLSA-N 1 1 299.418 3.470 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2O)CCCO1 ZINC000281206544 379823412 /nfs/dbraw/zinc/82/34/12/379823412.db2.gz JJSFKUFBBKZVQP-ZDUSSCGKSA-N 1 1 299.798 3.055 20 10 CGCDMO Oc1c(Cl)cccc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000378435707 379824518 /nfs/dbraw/zinc/82/45/18/379824518.db2.gz AHXLTPNODWLYLY-CQSZACIVSA-N 1 1 294.826 3.106 20 10 CGCDMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc(N(C)C)cc1)C2 ZINC000285484749 380146965 /nfs/dbraw/zinc/14/69/65/380146965.db2.gz LXMUZYRTRDIJMN-UHFFFAOYSA-N 1 1 288.435 3.144 20 10 CGCDMO CC[C@@H]([NH2+]Cc1c(C)nn(C)c1C)c1ccc(F)cc1O ZINC000286128856 380164417 /nfs/dbraw/zinc/16/44/17/380164417.db2.gz OLFFMTAYTWITLU-OAHLLOKOSA-N 1 1 291.370 3.123 20 10 CGCDMO CC[C@H]([NH2+]CC1(O)CCCCC1)c1ccc(F)cc1O ZINC000286165975 380169353 /nfs/dbraw/zinc/16/93/53/380169353.db2.gz QDPWZXPPDTVUJG-AWEZNQCLSA-N 1 1 281.371 3.267 20 10 CGCDMO CC[C@@H]([NH2+]CCCCCOC)c1ccc(F)cc1O ZINC000285924983 380152382 /nfs/dbraw/zinc/15/23/82/380152382.db2.gz DXZBCEXXGSOOLM-CQSZACIVSA-N 1 1 269.360 3.389 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CCO[C@@H](C)C1)c1ccc(F)cc1O ZINC000285960529 380155436 /nfs/dbraw/zinc/15/54/36/380155436.db2.gz GPEOFQLINZUPHO-HUBLWGQQSA-N 1 1 281.371 3.387 20 10 CGCDMO CC[C@@H]([NH2+]CC(C)(C)CCCO)c1ccc(F)cc1O ZINC000286007968 380158531 /nfs/dbraw/zinc/15/85/31/380158531.db2.gz JBQKNCBZEBWSRI-CQSZACIVSA-N 1 1 283.387 3.371 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000365624087 382290212 /nfs/dbraw/zinc/29/02/12/382290212.db2.gz SITTXTURUONFQG-SJORKVTESA-N 1 1 287.403 3.234 20 10 CGCDMO COC[C@H]1CCCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000368654646 382379207 /nfs/dbraw/zinc/37/92/07/382379207.db2.gz AXAMRCIWTHMXPX-INIZCTEOSA-N 1 1 276.424 3.001 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000369019563 382384705 /nfs/dbraw/zinc/38/47/05/382384705.db2.gz QMBPAXWGKZNDAC-IBGZPJMESA-N 1 1 295.382 3.414 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC(C)(C)C ZINC000121326227 392412803 /nfs/dbraw/zinc/41/28/03/392412803.db2.gz QSLOWFBOIPMOJB-UHFFFAOYSA-N 1 1 276.424 3.001 20 10 CGCDMO CC[N@H+](Cc1c(O)cccc1Cl)C[C@@H]1CCCO1 ZINC000132664219 392461558 /nfs/dbraw/zinc/46/15/58/392461558.db2.gz IADGXTKVSHTUAF-NSHDSACASA-N 1 1 269.772 3.047 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000179558781 392702762 /nfs/dbraw/zinc/70/27/62/392702762.db2.gz SASJLZZYWJAZQG-QGZVFWFLSA-N 1 1 287.334 3.105 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000179580327 392704845 /nfs/dbraw/zinc/70/48/45/392704845.db2.gz VRJUWVMOORQWFM-QGZVFWFLSA-N 1 1 297.398 3.431 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(F)cc1O ZINC000286265259 397671547 /nfs/dbraw/zinc/67/15/47/397671547.db2.gz VCJFDSSZVWWRJD-HIFRSBDPSA-N 1 1 295.379 3.367 20 10 CGCDMO CCCC[N@@H+](CC)Cc1cc(OC)c(OC)cc1O ZINC000159750981 261193219 /nfs/dbraw/zinc/19/32/19/261193219.db2.gz DOFSKJRJKWGEJW-UHFFFAOYSA-N 1 1 267.369 3.031 20 10 CGCDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000184985344 262036123 /nfs/dbraw/zinc/03/61/23/262036123.db2.gz DVCXQLKOQYGTIJ-DGCLKSJQSA-N 1 1 279.380 3.030 20 10 CGCDMO Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185435293 262054236 /nfs/dbraw/zinc/05/42/36/262054236.db2.gz YXZOZLFNXISRIK-PXAZEXFGSA-N 1 1 289.350 3.224 20 10 CGCDMO CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185614789 262062354 /nfs/dbraw/zinc/06/23/54/262062354.db2.gz AMEVHZROEQVDNL-CHWSQXEVSA-N 1 1 283.387 3.227 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)CC1(C)C ZINC000296268029 263188869 /nfs/dbraw/zinc/18/88/69/263188869.db2.gz YNACYCWVBZCGOK-QGZVFWFLSA-N 1 1 290.451 3.308 20 10 CGCDMO CC(C)(C)[C@H](CCO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293581223 264959573 /nfs/dbraw/zinc/95/95/73/264959573.db2.gz JTIAPQDJSLUHJU-ZDUSSCGKSA-N 1 1 289.778 3.071 20 10 CGCDMO COc1cccc(C[N@H+]2CCC23CCCCC3)c1O ZINC000369325844 267235306 /nfs/dbraw/zinc/23/53/06/267235306.db2.gz AOSAMADIBJKLBX-UHFFFAOYSA-N 1 1 261.365 3.309 20 10 CGCDMO COc1ccc(C[NH2+][C@@H](C)c2ncccc2F)cc1C ZINC000527826435 330286682 /nfs/dbraw/zinc/28/66/82/330286682.db2.gz LSRKGFQTNGOFOK-LBPRGKRZSA-N 1 1 274.339 3.389 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(F)cc1O ZINC000159932420 330854595 /nfs/dbraw/zinc/85/45/95/330854595.db2.gz RVFNMFSVTNVUEV-JQWIXIFHSA-N 1 1 267.344 3.140 20 10 CGCDMO CCOC[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000126579555 520170563 /nfs/dbraw/zinc/17/05/63/520170563.db2.gz YNQGSPBFHBZHAQ-LBPRGKRZSA-N 1 1 283.799 3.294 20 10 CGCDMO CCCOc1ccc(C[N@@H+](C)[C@@H]2CCSC2)c(O)c1 ZINC000130594740 520344738 /nfs/dbraw/zinc/34/47/38/520344738.db2.gz GNUWZXPLHIWMHO-CYBMUJFWSA-N 1 1 281.421 3.118 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)cc1 ZINC000276022685 520894359 /nfs/dbraw/zinc/89/43/59/520894359.db2.gz QVFGDHHMCMAUOY-QGZVFWFLSA-N 1 1 290.451 3.126 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC[C@@](C)(OC)CC2)c1O ZINC000280239756 521335225 /nfs/dbraw/zinc/33/52/25/521335225.db2.gz KLGCXXAELVLYEQ-QGZVFWFLSA-N 1 1 293.407 3.182 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@@H]1CCOC(C)(C)C1 ZINC000291690213 521387678 /nfs/dbraw/zinc/38/76/78/521387678.db2.gz YADTXSVGEISCJD-CQSZACIVSA-N 1 1 263.381 3.172 20 10 CGCDMO CCC[N@H+](CC)C[C@@H](C)N[C@H](C)c1cc(OC)ccc1O ZINC000290074123 521611679 /nfs/dbraw/zinc/61/16/79/521611679.db2.gz GHJJWDROARBHPO-ZIAGYGMSSA-N 1 1 294.439 3.172 20 10 CGCDMO CCC[N@@H+](CC)C[C@@H](C)N[C@H](C)c1cc(OC)ccc1O ZINC000290074123 521611682 /nfs/dbraw/zinc/61/16/82/521611682.db2.gz GHJJWDROARBHPO-ZIAGYGMSSA-N 1 1 294.439 3.172 20 10 CGCDMO C[C@]1([NH2+]Cc2cc(Cl)c(F)cc2O)CCO[C@@H]1C1CC1 ZINC000293535131 525299713 /nfs/dbraw/zinc/29/97/13/525299713.db2.gz FGKQZMDNDCWHME-CABCVRRESA-N 1 1 299.773 3.232 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCCSC1)c1ccc(F)cc1O ZINC000287151649 525416665 /nfs/dbraw/zinc/41/66/65/525416665.db2.gz STRYFLJOQUWAKO-WDEREUQCSA-N 1 1 269.385 3.325 20 10 CGCDMO C[C@@H]([NH2+]CCc1ccccc1)c1ccc(F)cc1O ZINC000062744861 525462881 /nfs/dbraw/zinc/46/28/81/525462881.db2.gz YQINONWQDRFBPC-GFCCVEGCSA-N 1 1 259.324 3.425 20 10 CGCDMO COc1cccc(C[N@H+]2CCSC(C)(C)CC2)c1O ZINC000279500149 525952631 /nfs/dbraw/zinc/95/26/31/525952631.db2.gz WAMIRCCQWGGKEP-UHFFFAOYSA-N 1 1 281.421 3.118 20 10 CGCDMO Oc1c(F)cccc1C[NH2+]C1(Cc2ccccc2)CC1 ZINC000274919069 526329494 /nfs/dbraw/zinc/32/94/94/526329494.db2.gz LOXVYMQPMPEFLN-UHFFFAOYSA-N 1 1 271.335 3.396 20 10 CGCDMO Cc1csc([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000069168176 526436963 /nfs/dbraw/zinc/43/69/63/526436963.db2.gz GEFFTCDXYZRXAO-NSHDSACASA-N 1 1 274.389 3.237 20 10 CGCDMO Oc1ccccc1C[N@@H+](C[C@@H]1CCOC1)C1CCCC1 ZINC000732204063 572451724 /nfs/dbraw/zinc/45/17/24/572451724.db2.gz BATMHOBTAXFFQR-AWEZNQCLSA-N 1 1 275.392 3.173 20 10 CGCDMO CC(C)[N@@H+](CCOCC1CC1)Cc1ccc(N(C)C)cc1 ZINC000741804864 572531666 /nfs/dbraw/zinc/53/16/66/572531666.db2.gz IRDBULDXMCESSZ-UHFFFAOYSA-N 1 1 290.451 3.390 20 10 CGCDMO Oc1ccccc1C[N@@H+](CCC1CC1)C[C@H]1CCCO1 ZINC000744402685 572750537 /nfs/dbraw/zinc/75/05/37/572750537.db2.gz PSOZTZQVWXZQPC-MRXNPFEDSA-N 1 1 275.392 3.173 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2C[C@H](C)C[C@H](C)[C@H]2C)c1 ZINC000253105755 617677079 /nfs/dbraw/zinc/67/70/79/617677079.db2.gz TZLUVMYZLJLWSK-FRRDWIJNSA-N 1 1 263.381 3.267 20 10 CGCDMO CC[C@H]1CCCC[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC000891443592 618212210 /nfs/dbraw/zinc/21/22/10/618212210.db2.gz JGQVHFUTVSLYTP-ZDUSSCGKSA-N 1 1 279.380 3.174 20 10 CGCDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(C)c1O ZINC000187993239 618340007 /nfs/dbraw/zinc/34/00/07/618340007.db2.gz ZVSGTFXONKULAR-GOSISDBHSA-N 1 1 299.414 3.390 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)Cc2scnc2C)c1O ZINC000178891911 618712737 /nfs/dbraw/zinc/71/27/37/618712737.db2.gz VEHPDAJAFVRJLX-UHFFFAOYSA-N 1 1 292.404 3.106 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)C[C@H](O)c1ccc(C)cc1 ZINC000179579624 618795937 /nfs/dbraw/zinc/79/59/37/618795937.db2.gz QLKSMOSVTZSIHD-SFHVURJKSA-N 1 1 285.387 3.256 20 10 CGCDMO C[C@@H]([NH2+][C@H]1COc2ccccc2C1)c1ccc(F)cc1O ZINC000185224261 619222613 /nfs/dbraw/zinc/22/26/13/619222613.db2.gz PNGDCULDDRWKPI-BXUZGUMPSA-N 1 1 287.334 3.186 20 10 CGCDMO CC[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000925802995 619255234 /nfs/dbraw/zinc/25/52/34/619255234.db2.gz LLBDAFALHPTTMP-LALPHHSUSA-N 1 1 296.842 3.332 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cc1C ZINC000840957066 619270006 /nfs/dbraw/zinc/27/00/06/619270006.db2.gz IETOPSYYRYGCKG-ZWKOTPCHSA-N 1 1 297.398 3.317 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)[C@@H](C)c2ccco2)c1O ZINC000893930574 619334990 /nfs/dbraw/zinc/33/49/90/619334990.db2.gz DAXRIABMCULPLE-LBPRGKRZSA-N 1 1 275.348 3.495 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH+]1CCC(OCC2CC2)CC1 ZINC000894068269 619364386 /nfs/dbraw/zinc/36/43/86/619364386.db2.gz SPNHALYVGCEBGH-UHFFFAOYSA-N 1 1 297.345 3.061 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H](C2CC2)O1 ZINC000793220130 619706363 /nfs/dbraw/zinc/70/63/63/619706363.db2.gz RATWOMGDYVSWBN-MEBBXXQBSA-N 1 1 281.783 3.045 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@H](C2CC2)O1 ZINC000793220130 619706367 /nfs/dbraw/zinc/70/63/67/619706367.db2.gz RATWOMGDYVSWBN-MEBBXXQBSA-N 1 1 281.783 3.045 20 10 CGCDMO FC[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000895575827 619852249 /nfs/dbraw/zinc/85/22/49/619852249.db2.gz VFLSWPHMLZXXRP-MRXNPFEDSA-N 1 1 276.399 3.468 20 10 CGCDMO Cc1cccc(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1O ZINC000898515896 620594908 /nfs/dbraw/zinc/59/49/08/620594908.db2.gz HJUWVPAJQNFUPB-RDJZCZTQSA-N 1 1 289.419 3.339 20 10 CGCDMO Oc1c(Br)cccc1C[NH2+]Cc1ccccc1 ZINC000042411528 620836728 /nfs/dbraw/zinc/83/67/28/620836728.db2.gz MVTQWFBPISWARV-UHFFFAOYSA-N 1 1 292.176 3.445 20 10 CGCDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000902634654 621390165 /nfs/dbraw/zinc/39/01/65/621390165.db2.gz OUECROFMQIDGGV-DOTOQJQBSA-N 1 1 271.360 3.155 20 10 CGCDMO Oc1cccc2c1[C@H]([NH2+][C@@H]1c3ccccc3OC[C@@H]1F)CC2 ZINC000903266698 621653907 /nfs/dbraw/zinc/65/39/07/621653907.db2.gz UWWRDTLEKOAXDN-PMUMKWKESA-N 1 1 299.345 3.441 20 10 CGCDMO C[C@H]([NH2+][C@H](c1ncccn1)C1CC1)c1cc(F)ccc1O ZINC000903327750 621701254 /nfs/dbraw/zinc/70/12/54/621701254.db2.gz YFOGBQACXZWURW-BONVTDFDSA-N 1 1 287.338 3.123 20 10 CGCDMO C[C@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1ccc(F)cc1O ZINC000903362694 621715434 /nfs/dbraw/zinc/71/54/34/621715434.db2.gz ARWNOMARUYYQRC-MQIPJXDCSA-N 1 1 291.366 3.141 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@@H]2C(C)(C)C)c1O ZINC000769312394 625564770 /nfs/dbraw/zinc/56/47/70/625564770.db2.gz LWQLOOWXTMDCGL-CQSZACIVSA-N 1 1 263.381 3.411 20 10 CGCDMO CCN(CC)c1ccc(CNCCC[N@H+](C)C(C)C)cc1 ZINC000221783028 622805710 /nfs/dbraw/zinc/80/57/10/622805710.db2.gz MVCPURTZJAKHDT-UHFFFAOYSA-N 1 1 291.483 3.353 20 10 CGCDMO CCN(CC)c1ccc(CNCCC[N@@H+](C)C(C)C)cc1 ZINC000221783028 622805715 /nfs/dbraw/zinc/80/57/15/622805715.db2.gz MVCPURTZJAKHDT-UHFFFAOYSA-N 1 1 291.483 3.353 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1C1CCCC1)OCO2 ZINC000055034949 622809119 /nfs/dbraw/zinc/80/91/19/622809119.db2.gz JGDCVPZDWNFXOW-CQSZACIVSA-N 1 1 289.375 3.276 20 10 CGCDMO C[C@@H]1OCC[N@@H+](Cc2c(O)ccc3ccccc32)[C@H]1C ZINC000164099525 622816485 /nfs/dbraw/zinc/81/64/85/622816485.db2.gz NTPZZYPGMBXWRL-STQMWFEESA-N 1 1 271.360 3.155 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(C)cc(C)c2O)CCS1 ZINC000164428792 622834427 /nfs/dbraw/zinc/83/44/27/622834427.db2.gz NSHSEEVJPDGJSP-AWEZNQCLSA-N 1 1 265.422 3.336 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000754799337 623955534 /nfs/dbraw/zinc/95/55/34/623955534.db2.gz UDFFJHJCBIXCCV-MRXNPFEDSA-N 1 1 289.419 3.258 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](CC)CC(C)C)c1 ZINC000153694542 624022087 /nfs/dbraw/zinc/02/20/87/624022087.db2.gz KPODKCMBUYQCPI-UHFFFAOYSA-N 1 1 251.370 3.269 20 10 CGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000917473276 624272169 /nfs/dbraw/zinc/27/21/69/624272169.db2.gz OFWZWDHAMLMIGY-SJLPKXTDSA-N 1 1 298.386 3.084 20 10 CGCDMO CC[N@@H+](CCOC)Cc1c(O)ccc2ccc(OC)cc21 ZINC000921046979 624565278 /nfs/dbraw/zinc/56/52/78/624565278.db2.gz RBDUKYYEALPIIU-UHFFFAOYSA-N 1 1 289.375 3.022 20 10 CGCDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2O)C1 ZINC000179584723 624665590 /nfs/dbraw/zinc/66/55/90/624665590.db2.gz NHUOJDGWVPCWOP-ZIAGYGMSSA-N 1 1 265.422 3.498 20 10 CGCDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2O)C1 ZINC000179584730 624665704 /nfs/dbraw/zinc/66/57/04/624665704.db2.gz NHUOJDGWVPCWOP-KGLIPLIRSA-N 1 1 265.422 3.498 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCc3cc(F)ccc3C2)c1 ZINC000181445261 624860810 /nfs/dbraw/zinc/86/08/10/624860810.db2.gz QXCBIEIAFRJWLJ-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183209127 625052439 /nfs/dbraw/zinc/05/24/39/625052439.db2.gz GTQDIXLDMCKYPE-MRXNPFEDSA-N 1 1 287.334 3.185 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCOC[C@@H]2C)cc1C(C)C ZINC000073586303 625799837 /nfs/dbraw/zinc/79/98/37/625799837.db2.gz ZIATZXFKJBHQEX-ZDUSSCGKSA-N 1 1 263.381 3.045 20 10 CGCDMO CCc1nc(C[NH2+]Cc2ccc3c(c2)CCCO3)cs1 ZINC000921711270 625851570 /nfs/dbraw/zinc/85/15/70/625851570.db2.gz SKUGEQUDHVRUOW-UHFFFAOYSA-N 1 1 288.416 3.320 20 10 CGCDMO CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1[O-] ZINC000840808751 626189791 /nfs/dbraw/zinc/18/97/91/626189791.db2.gz DTOAAMXSDQHGDB-CJNGLKHVSA-N 1 1 294.414 3.304 20 10 CGCDMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2ccccc2c1O ZINC000839128844 626321399 /nfs/dbraw/zinc/32/13/99/626321399.db2.gz GOHFUNUHBGBZJF-GASCZTMLSA-N 1 1 281.355 3.241 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H]2C(C)C)c1O ZINC000754723425 626584654 /nfs/dbraw/zinc/58/46/54/626584654.db2.gz SDJUPWSTPFPADP-AWEZNQCLSA-N 1 1 263.381 3.330 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+](C)CCOC(C)(C)C)c1 ZINC000754739582 626585741 /nfs/dbraw/zinc/58/57/41/626585741.db2.gz DLJVOOPMGUMHCO-UHFFFAOYSA-N 1 1 265.397 3.256 20 10 CGCDMO C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000756505657 626710436 /nfs/dbraw/zinc/71/04/36/626710436.db2.gz UXZVHRSWYPTANI-KBPBESRZSA-N 1 1 290.451 3.262 20 10 CGCDMO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756534807 626713095 /nfs/dbraw/zinc/71/30/95/626713095.db2.gz OURLUIUEZWCFBZ-RKDXNWHRSA-N 1 1 295.333 3.124 20 10 CGCDMO COC1CCC(C[NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000756640479 626723476 /nfs/dbraw/zinc/72/34/76/626723476.db2.gz BKHRSRITPUDXOD-LKSINWNRSA-N 1 1 281.371 3.387 20 10 CGCDMO CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756664910 626725940 /nfs/dbraw/zinc/72/59/40/626725940.db2.gz RCPPCCFDBZOOOF-NSHDSACASA-N 1 1 298.377 3.194 20 10 CGCDMO CCC1(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000756738972 626728911 /nfs/dbraw/zinc/72/89/11/626728911.db2.gz JEXQLHOGAWCMHH-LLVKDONJSA-N 1 1 277.364 3.020 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1C ZINC000756880035 626739077 /nfs/dbraw/zinc/73/90/77/626739077.db2.gz DXYUYZLPXJVVIZ-ZBFHGGJFSA-N 1 1 275.392 3.010 20 10 CGCDMO C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1ccc(F)cc1O ZINC000757654500 626797624 /nfs/dbraw/zinc/79/76/24/626797624.db2.gz AXWLBNWRKIDHIV-FRRDWIJNSA-N 1 1 281.371 3.387 20 10 CGCDMO Oc1ccccc1C[N@@H+](CCCF)C1CCCC1 ZINC000766071351 627292621 /nfs/dbraw/zinc/29/26/21/627292621.db2.gz XAXWROOBPZQUKR-UHFFFAOYSA-N 1 1 251.345 3.496 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)NCC[N@@H+]2CCC[C@@H]2C)cc1 ZINC000766273548 627310933 /nfs/dbraw/zinc/31/09/33/627310933.db2.gz QGQIQUOVBAPMNH-JKSUJKDBSA-N 1 1 289.467 3.278 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)NCC[N@H+]2CCC[C@@H]2C)cc1 ZINC000766273548 627310934 /nfs/dbraw/zinc/31/09/34/627310934.db2.gz QGQIQUOVBAPMNH-JKSUJKDBSA-N 1 1 289.467 3.278 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H]1c1cccn1C ZINC000768196424 627467865 /nfs/dbraw/zinc/46/78/65/627467865.db2.gz CYRRRXPNILNXJJ-HNNXBMFYSA-N 1 1 286.375 3.076 20 10 CGCDMO COc1cc(C[N@@H+](C)[C@H](C)C2(C)CC2)c(O)cc1C ZINC000768463750 627481408 /nfs/dbraw/zinc/48/14/08/627481408.db2.gz LUAGOXBIPXKYBX-GFCCVEGCSA-N 1 1 263.381 3.330 20 10 CGCDMO Cc1occc1C[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000769061403 627520320 /nfs/dbraw/zinc/52/03/20/627520320.db2.gz QPLKVFUNPXUNBM-UHFFFAOYSA-N 1 1 276.355 3.425 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C[C@@H](C)O)C(C)C)cc1F ZINC000769343744 627544416 /nfs/dbraw/zinc/54/44/16/627544416.db2.gz UDPUJOZEESJARM-CQSZACIVSA-N 1 1 296.430 3.263 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCS[C@H](CC)C2)c(O)c1 ZINC000769445156 627552904 /nfs/dbraw/zinc/55/29/04/627552904.db2.gz FQZCHRSLOCJTGM-CQSZACIVSA-N 1 1 281.421 3.118 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCCOC[C@@H]2C)cc1F ZINC000769456237 627555005 /nfs/dbraw/zinc/55/50/05/627555005.db2.gz HOXYVEIGDZVXED-AWEZNQCLSA-N 1 1 294.414 3.283 20 10 CGCDMO COCC[N@@H+](CCc1ccccc1)Cc1ccccc1O ZINC000770510161 627623727 /nfs/dbraw/zinc/62/37/27/627623727.db2.gz ZZHRHUINBOMULI-UHFFFAOYSA-N 1 1 285.387 3.083 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCSC(C)(C)C2)cc1 ZINC000773756935 627911713 /nfs/dbraw/zinc/91/17/13/627911713.db2.gz XPPIGPFRAAVTMN-UHFFFAOYSA-N 1 1 278.465 3.470 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000773783765 627915350 /nfs/dbraw/zinc/91/53/50/627915350.db2.gz FGVUJEZMDLSQRY-IRXDYDNUSA-N 1 1 288.435 3.001 20 10 CGCDMO C[C@@H]([NH2+]CC1(CO)CC1)c1cc(Cl)c(Cl)cc1O ZINC000774210533 627963388 /nfs/dbraw/zinc/96/33/88/627963388.db2.gz TXCLXHMTRJJXRX-MRVPVSSYSA-N 1 1 290.190 3.122 20 10 CGCDMO C[C@H]([NH2+]CCN1CCCC(C)(C)C1)c1ccc(F)cc1O ZINC000774485831 627998057 /nfs/dbraw/zinc/99/80/57/627998057.db2.gz GNTVDYFKYAQMBX-ZDUSSCGKSA-N 1 1 294.414 3.304 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCOCC3(CCCC3)C2)cc1C ZINC000774651493 628011832 /nfs/dbraw/zinc/01/18/32/628011832.db2.gz JWMOLQIWBJCIOB-UHFFFAOYSA-N 1 1 289.419 3.402 20 10 CGCDMO C=Cn1cc(C[N@H+](C)Cc2ccc(N(CC)CC)cc2)cn1 ZINC000774821892 628035256 /nfs/dbraw/zinc/03/52/56/628035256.db2.gz VBPMXNQXVFSWKW-UHFFFAOYSA-N 1 1 298.434 3.462 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cocn1)c1cc(Cl)ccc1O ZINC000775538113 628104592 /nfs/dbraw/zinc/10/45/92/628104592.db2.gz ULKWASHLYXXPQE-GFCCVEGCSA-N 1 1 266.728 3.275 20 10 CGCDMO Cc1cccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1O ZINC000775697813 628126255 /nfs/dbraw/zinc/12/62/55/628126255.db2.gz ICYBAVVREXOEFK-UHFFFAOYSA-N 1 1 298.342 3.167 20 10 CGCDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C)c2O)C1(C)C ZINC000775715075 628128463 /nfs/dbraw/zinc/12/84/63/628128463.db2.gz BHFBLFNGKOUKOE-HUUCEWRRSA-N 1 1 277.408 3.336 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C[C@H]1F ZINC000777965511 628316505 /nfs/dbraw/zinc/31/65/05/628316505.db2.gz WZKIOESJEZUMBD-IAQYHMDHSA-N 1 1 274.339 3.120 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C[C@H]1F ZINC000777965514 628317027 /nfs/dbraw/zinc/31/70/27/628317027.db2.gz WZKIOESJEZUMBD-XHDPSFHLSA-N 1 1 274.339 3.120 20 10 CGCDMO CC(C)[N@@H+](Cc1ccccn1)Cc1cc(F)ccc1O ZINC000779000477 628380916 /nfs/dbraw/zinc/38/09/16/628380916.db2.gz YCFMJIWOXPFNGI-UHFFFAOYSA-N 1 1 274.339 3.337 20 10 CGCDMO Oc1ccc(F)cc1C[N@@H+]1CCc2cccc(F)c2C1 ZINC000779020923 628383349 /nfs/dbraw/zinc/38/33/49/628383349.db2.gz PLQIYHMTUROZKY-UHFFFAOYSA-N 1 1 275.298 3.229 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCc2cccc(F)c2C1 ZINC000779020923 628383350 /nfs/dbraw/zinc/38/33/50/628383350.db2.gz PLQIYHMTUROZKY-UHFFFAOYSA-N 1 1 275.298 3.229 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000779189991 628393328 /nfs/dbraw/zinc/39/33/28/628393328.db2.gz VDSQWCGZTGQMQI-CYBMUJFWSA-N 1 1 295.810 3.437 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](C(C)C)C2)cc1OC ZINC000780499496 628493239 /nfs/dbraw/zinc/49/32/39/628493239.db2.gz SIYQSYSVRHNWNC-CYBMUJFWSA-N 1 1 293.407 3.277 20 10 CGCDMO CCC[C@H](C)[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000782192248 628622619 /nfs/dbraw/zinc/62/26/19/628622619.db2.gz AHOFFUYJUJBWRI-HNNXBMFYSA-N 1 1 276.424 3.396 20 10 CGCDMO CCC[N@@H+](CC[C@H]1CCOC1)Cc1ccccc1O ZINC000783554643 628725077 /nfs/dbraw/zinc/72/50/77/628725077.db2.gz DBCZQEOCSJJNRE-AWEZNQCLSA-N 1 1 263.381 3.031 20 10 CGCDMO CC[C@@]1(C)C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000785984456 628904121 /nfs/dbraw/zinc/90/41/21/628904121.db2.gz FHDJRNSNZJSWMX-AWEZNQCLSA-N 1 1 269.772 3.047 20 10 CGCDMO CC[C@@]1(C)C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000785984456 628904128 /nfs/dbraw/zinc/90/41/28/628904128.db2.gz FHDJRNSNZJSWMX-AWEZNQCLSA-N 1 1 269.772 3.047 20 10 CGCDMO COC[C@@H](C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788562333 629065118 /nfs/dbraw/zinc/06/51/18/629065118.db2.gz GVZXHDMRTGLRBF-UWVGGRQHSA-N 1 1 291.313 3.344 20 10 CGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000789508832 629141431 /nfs/dbraw/zinc/14/14/31/629141431.db2.gz SDPGQDCRBGQTIO-SJLPKXTDSA-N 1 1 298.386 3.084 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2ccc(N(C)C)c(F)c2)nc1 ZINC000789593885 629149185 /nfs/dbraw/zinc/14/91/85/629149185.db2.gz BTUATRPMBCBYRE-UHFFFAOYSA-N 1 1 287.382 3.227 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)cc1F ZINC000790930679 629241525 /nfs/dbraw/zinc/24/15/25/629241525.db2.gz GWMVBWMBCWMREM-MRXNPFEDSA-N 1 1 294.414 3.139 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)cc1F ZINC000790930679 629241526 /nfs/dbraw/zinc/24/15/26/629241526.db2.gz GWMVBWMBCWMREM-MRXNPFEDSA-N 1 1 294.414 3.139 20 10 CGCDMO CC[C@H](C[C@H](C)CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790970441 629244490 /nfs/dbraw/zinc/24/44/90/629244490.db2.gz JDIFKRSORWOTJU-VHSXEESVSA-N 1 1 289.778 3.071 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc3n[nH]cc32)cc1 ZINC000862210887 629322997 /nfs/dbraw/zinc/32/29/97/629322997.db2.gz ZKARHCMWXWHTPC-UHFFFAOYSA-N 1 1 294.402 3.261 20 10 CGCDMO C[C@@H]1C[C@H](C)C[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792166870 629342234 /nfs/dbraw/zinc/34/22/34/629342234.db2.gz UVEWYSSFBCZNIK-DTWKUNHWSA-N 1 1 257.736 3.415 20 10 CGCDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792166870 629342236 /nfs/dbraw/zinc/34/22/36/629342236.db2.gz UVEWYSSFBCZNIK-DTWKUNHWSA-N 1 1 257.736 3.415 20 10 CGCDMO C[N@@H+](Cc1c(O)ccc(Cl)c1F)C[C@@H]1CCCCO1 ZINC000792166887 629343882 /nfs/dbraw/zinc/34/38/82/629343882.db2.gz ILURTYOTJXEMIO-JTQLQIEISA-N 1 1 287.762 3.186 20 10 CGCDMO C[N@H+](Cc1c(O)ccc(Cl)c1F)C[C@@H]1CCCCO1 ZINC000792166887 629343886 /nfs/dbraw/zinc/34/38/86/629343886.db2.gz ILURTYOTJXEMIO-JTQLQIEISA-N 1 1 287.762 3.186 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000792171087 629343973 /nfs/dbraw/zinc/34/39/73/629343973.db2.gz XPVSYPILLJPDQE-GXFFZTMASA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000792171087 629343976 /nfs/dbraw/zinc/34/39/76/629343976.db2.gz XPVSYPILLJPDQE-GXFFZTMASA-N 1 1 299.773 3.186 20 10 CGCDMO COCC[N@@H+](Cc1cccc(OC)c1O)[C@@H]1CC[C@@H](C)C1 ZINC000792192825 629346864 /nfs/dbraw/zinc/34/68/64/629346864.db2.gz NZUNXUBAKHTSOM-UKRRQHHQSA-N 1 1 293.407 3.038 20 10 CGCDMO CC[C@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)CCCO1 ZINC000862353965 629347523 /nfs/dbraw/zinc/34/75/23/629347523.db2.gz HBQDEOFBPJFVKZ-ZDUSSCGKSA-N 1 1 298.377 3.032 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(F)c(N(C)C)cc2F)CCCO1 ZINC000862353965 629347526 /nfs/dbraw/zinc/34/75/26/629347526.db2.gz HBQDEOFBPJFVKZ-ZDUSSCGKSA-N 1 1 298.377 3.032 20 10 CGCDMO COc1cccc2c1C[N@@H+](Cc1cccc(C)c1O)C2 ZINC000862529498 629390987 /nfs/dbraw/zinc/39/09/87/629390987.db2.gz MIBAVIKHJCGSKS-UHFFFAOYSA-N 1 1 269.344 3.225 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000862531483 629392107 /nfs/dbraw/zinc/39/21/07/629392107.db2.gz ZMSMMFWXANGCII-AWEZNQCLSA-N 1 1 289.350 3.106 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1O ZINC000793232565 629433263 /nfs/dbraw/zinc/43/32/63/629433263.db2.gz 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Cc1cc(Cl)cc(C[N@H+](CC2CCC2)[C@@H](C)CO)c1O ZINC000809664373 630778569 /nfs/dbraw/zinc/77/85/69/630778569.db2.gz DXMSPRJTFWACHC-LBPRGKRZSA-N 1 1 297.826 3.337 20 10 CGCDMO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)C[C@@H](O)C1CC1 ZINC000809751208 630800920 /nfs/dbraw/zinc/80/09/20/630800920.db2.gz DUYXFWAHGLNKOK-LJQANCHMSA-N 1 1 297.398 3.262 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](C3CC3)C2)c1O ZINC000809786891 630808659 /nfs/dbraw/zinc/80/86/59/630808659.db2.gz NVASPRDVEVUXPG-CQSZACIVSA-N 1 1 275.392 3.413 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCc3occc3C2)cc1F ZINC000809792341 630812125 /nfs/dbraw/zinc/81/21/25/630812125.db2.gz SGLOWNMRKXVANM-UHFFFAOYSA-N 1 1 288.366 3.433 20 10 CGCDMO CCC[N@H+](CC)C[C@H](C)N[C@H](C)c1ccc(C)cc1O ZINC000810262051 630862349 /nfs/dbraw/zinc/86/23/49/630862349.db2.gz IUAKAQZYUWNTLT-LSDHHAIUSA-N 1 1 278.440 3.472 20 10 CGCDMO CCC[N@@H+](CC)C[C@H](C)N[C@H](C)c1ccc(C)cc1O ZINC000810262051 630862352 /nfs/dbraw/zinc/86/23/52/630862352.db2.gz IUAKAQZYUWNTLT-LSDHHAIUSA-N 1 1 278.440 3.472 20 10 CGCDMO CCC[N@H+](CC)C[C@H](C)N[C@H](C)c1cc(C)ccc1O ZINC000810263785 630862525 /nfs/dbraw/zinc/86/25/25/630862525.db2.gz SWXJDSHYOTWFKT-LSDHHAIUSA-N 1 1 278.440 3.472 20 10 CGCDMO CCC[N@@H+](CC)C[C@H](C)N[C@H](C)c1cc(C)ccc1O ZINC000810263785 630862529 /nfs/dbraw/zinc/86/25/29/630862529.db2.gz SWXJDSHYOTWFKT-LSDHHAIUSA-N 1 1 278.440 3.472 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH+]1CC(C2CC2)C1 ZINC000812775099 631306132 /nfs/dbraw/zinc/30/61/32/631306132.db2.gz FZHJSNKGGPWJOC-UHFFFAOYSA-N 1 1 255.720 3.027 20 10 CGCDMO CC1(C)[C@H](O)CC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000812778065 631307354 /nfs/dbraw/zinc/30/73/54/631307354.db2.gz AQBOEEIGXXNSIV-GOSISDBHSA-N 1 1 297.398 3.404 20 10 CGCDMO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc(C)cc2O)cc1 ZINC000876528990 634852165 /nfs/dbraw/zinc/85/21/65/634852165.db2.gz CGHHPPVWXOJVOT-UHFFFAOYSA-N 1 1 298.386 3.080 20 10 CGCDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815052375 631707529 /nfs/dbraw/zinc/70/75/29/631707529.db2.gz 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/nfs/dbraw/zinc/01/72/53/632017253.db2.gz CRSFIAHEDIZTCL-UHFFFAOYSA-N 1 1 298.430 3.462 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH+]1CC(C2CC2)C1 ZINC000816616125 632024467 /nfs/dbraw/zinc/02/44/67/632024467.db2.gz OSPSJORBFJOALJ-UHFFFAOYSA-N 1 1 255.720 3.027 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@H](O)C23CCCC3)c1O ZINC000816630551 632026289 /nfs/dbraw/zinc/02/62/89/632026289.db2.gz IREFFIZLVNFBRV-AWEZNQCLSA-N 1 1 295.810 3.233 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@H](C)N1C ZINC000816653421 632038964 /nfs/dbraw/zinc/03/89/64/632038964.db2.gz RGEUOZCMBKGDCL-OKILXGFUSA-N 1 1 284.403 3.070 20 10 CGCDMO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000816662782 632040743 /nfs/dbraw/zinc/04/07/43/632040743.db2.gz YHTDVWDTBAJEAF-INIZCTEOSA-N 1 1 297.826 3.276 20 10 CGCDMO OCC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000817418891 632146405 /nfs/dbraw/zinc/14/64/05/632146405.db2.gz KHHVGDJQILFHKO-LBPRGKRZSA-N 1 1 283.799 3.030 20 10 CGCDMO Cc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2O)cc(C)n1 ZINC000817588735 632192694 /nfs/dbraw/zinc/19/26/94/632192694.db2.gz JPVALVJCQMPINP-LBPRGKRZSA-N 1 1 274.339 3.394 20 10 CGCDMO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccsc1 ZINC000817938482 632239118 /nfs/dbraw/zinc/23/91/18/632239118.db2.gz LFBMRJHJGDVYPZ-LRDDRELGSA-N 1 1 289.448 3.165 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817948087 632244204 /nfs/dbraw/zinc/24/42/04/632244204.db2.gz UXFGMXFPPLLNRO-ZOWXZIJZSA-N 1 1 296.842 3.474 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc2ccccc2c1[O-] ZINC000817970258 632262801 /nfs/dbraw/zinc/26/28/01/632262801.db2.gz PVPCXBSWDQMPAM-QEJZJMRPSA-N 1 1 284.403 3.466 20 10 CGCDMO CC[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(Cl)ccc1[O-] ZINC000817976950 632268843 /nfs/dbraw/zinc/26/88/43/632268843.db2.gz XMEOSMHHRLGRDM-HIFRSBDPSA-N 1 1 294.826 3.228 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000822530067 632963139 /nfs/dbraw/zinc/96/31/39/632963139.db2.gz PHAQZZKJKDJFQE-KRWDZBQOSA-N 1 1 287.403 3.173 20 10 CGCDMO COc1cc(F)cc(C[N@@H+](C)Cc2ccccc2O)c1 ZINC000823409105 633100001 /nfs/dbraw/zinc/10/00/01/633100001.db2.gz UNAVYEQIKZNMHF-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO C[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCOC1)c1ccc(F)cc1O ZINC000866512651 633168997 /nfs/dbraw/zinc/16/89/97/633168997.db2.gz NNARIOKURKFHSW-BNLOLNQZSA-N 1 1 293.382 3.387 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCC12CCOCC2)c1ccc(F)cc1O ZINC000866530026 633175551 /nfs/dbraw/zinc/17/55/51/633175551.db2.gz VSXBYAAZOXKRKE-CHWSQXEVSA-N 1 1 293.382 3.389 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](SC)C2)cc1 ZINC000824683578 633272199 /nfs/dbraw/zinc/27/21/99/633272199.db2.gz QLNKKHYLLZIHHC-INIZCTEOSA-N 1 1 278.465 3.470 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C[C@@H]1C ZINC000824820936 633297195 /nfs/dbraw/zinc/29/71/95/633297195.db2.gz RCRBGGUYUOLQQJ-GUYCJALGSA-N 1 1 285.387 3.402 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000824941118 633309135 /nfs/dbraw/zinc/30/91/35/633309135.db2.gz IZKGAZILCDIDNW-ZBFHGGJFSA-N 1 1 261.340 3.152 20 10 CGCDMO Oc1ccc(F)cc1CN[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000827261128 633476351 /nfs/dbraw/zinc/47/63/51/633476351.db2.gz VLGKSEFEVCIILR-HNNXBMFYSA-N 1 1 292.398 3.028 20 10 CGCDMO Oc1ccc(F)cc1CN[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000827261128 633476353 /nfs/dbraw/zinc/47/63/53/633476353.db2.gz VLGKSEFEVCIILR-HNNXBMFYSA-N 1 1 292.398 3.028 20 10 CGCDMO COCC[N@@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000827472247 633492948 /nfs/dbraw/zinc/49/29/48/633492948.db2.gz BMBVJAWMAQLELF-UHFFFAOYSA-N 1 1 276.424 3.064 20 10 CGCDMO COc1ccc(N2CCC[N@@H+](CC3=CCCC3)CC2)cc1 ZINC000827802163 633519131 /nfs/dbraw/zinc/51/91/31/633519131.db2.gz AJUZOGWJMMRNOA-UHFFFAOYSA-N 1 1 286.419 3.318 20 10 CGCDMO C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C1(CO)CCC1 ZINC000827904189 633532415 /nfs/dbraw/zinc/53/24/15/633532415.db2.gz VSMHLHRRHOWDML-UHFFFAOYSA-N 1 1 297.398 3.406 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](F)C2)cc1 ZINC000846120516 636147439 /nfs/dbraw/zinc/14/74/39/636147439.db2.gz RCKGUYKEJCGPQQ-SJDLMVEWSA-N 1 1 262.372 3.200 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H](F)C2)cc1 ZINC000846120516 636147442 /nfs/dbraw/zinc/14/74/42/636147442.db2.gz RCKGUYKEJCGPQQ-SJDLMVEWSA-N 1 1 262.372 3.200 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872261053 634092359 /nfs/dbraw/zinc/09/23/59/634092359.db2.gz YSEIIWAUFJOZQD-MRXNPFEDSA-N 1 1 275.392 3.316 20 10 CGCDMO C[C@H]([NH2+]CCCC1CCOCC1)c1ccc(F)cc1O ZINC000834818788 634246405 /nfs/dbraw/zinc/24/64/05/634246405.db2.gz OZJDBUIIXPXGPV-LBPRGKRZSA-N 1 1 281.371 3.389 20 10 CGCDMO CC[C@H]([NH2+]Cc1ccnc(C)c1)c1ccc(F)cc1O ZINC000834859581 634257825 /nfs/dbraw/zinc/25/78/25/634257825.db2.gz DTXVVINFODBPEE-HNNXBMFYSA-N 1 1 274.339 3.476 20 10 CGCDMO C[C@@H](C1CC1)[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835025785 634324480 /nfs/dbraw/zinc/32/44/80/634324480.db2.gz NJHFBHGMMJCJPI-GJBLVYBDSA-N 1 1 258.409 3.496 20 10 CGCDMO CC[NH+](CC)[C@H](C)CNC/C=C/c1ccc(N(C)C)cc1 ZINC000835035159 634327659 /nfs/dbraw/zinc/32/76/59/634327659.db2.gz GDTYNFMPYGAQNN-ROJDOSBLSA-N 1 1 289.467 3.086 20 10 CGCDMO Cc1cc(C[C@H](C)[NH2+]C/C=C\c2ccc(N(C)C)cc2)n[nH]1 ZINC000835043917 634331474 /nfs/dbraw/zinc/33/14/74/634331474.db2.gz VZVHQXVRRFTVQR-GXMNPTEKSA-N 1 1 298.434 3.018 20 10 CGCDMO CC(C)C[C@H](CO)[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835054506 634338074 /nfs/dbraw/zinc/33/80/74/634338074.db2.gz WEXKXUHQFJFKIG-IPLHWJFFSA-N 1 1 290.451 3.105 20 10 CGCDMO CO[C@@H]1CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C[C@H]1C ZINC000835054005 634338501 /nfs/dbraw/zinc/33/85/01/634338501.db2.gz GONXGAYFQZDQFK-CPHMMYSSSA-N 1 1 288.435 3.123 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](Cc2cnn(C)c2)CC(C)C)c1 ZINC000835077097 634346178 /nfs/dbraw/zinc/34/61/78/634346178.db2.gz OJSHOUAXZORMFQ-UHFFFAOYSA-N 1 1 287.407 3.092 20 10 CGCDMO Cc1ccc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c(O)c1 ZINC000876547092 634854953 /nfs/dbraw/zinc/85/49/53/634854953.db2.gz HXQRHZIPQLIXHA-UHFFFAOYSA-N 1 1 285.343 3.061 20 10 CGCDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(C)cc2O)no1 ZINC000876591342 634863308 /nfs/dbraw/zinc/86/33/08/634863308.db2.gz HHJGKDPUCFEOHC-HNNXBMFYSA-N 1 1 272.348 3.334 20 10 CGCDMO C[N@@H+](Cc1ccnn1CC1CCC1)Cc1ccccc1O ZINC000876616229 634868707 /nfs/dbraw/zinc/86/87/07/634868707.db2.gz UYKBPRBMZVPJEE-UHFFFAOYSA-N 1 1 285.391 3.021 20 10 CGCDMO O=c1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)c[nH]1 ZINC000876721070 634885949 /nfs/dbraw/zinc/88/59/49/634885949.db2.gz FRROJNFTIPTVAN-UHFFFAOYSA-N 1 1 298.386 3.438 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@H]2C2CCOCC2)c(O)c1 ZINC000877140105 635000390 /nfs/dbraw/zinc/00/03/90/635000390.db2.gz NAHWLGRAVDQPOX-INIZCTEOSA-N 1 1 275.392 3.092 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c(O)c1 ZINC000877398780 635033826 /nfs/dbraw/zinc/03/38/26/635033826.db2.gz IVQNUEIRRKBFCV-LJQANCHMSA-N 1 1 295.382 3.332 20 10 CGCDMO Cc1cc(O)c(CNCCC[N@H+](C)C(C)C)c(Cl)c1 ZINC000840875291 635071006 /nfs/dbraw/zinc/07/10/06/635071006.db2.gz MFKRNBVQPPNQDW-UHFFFAOYSA-N 1 1 284.831 3.174 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+](C)Cc1ccc(O)cc1 ZINC000877528374 635073499 /nfs/dbraw/zinc/07/34/99/635073499.db2.gz YNSLUBZQLQQNFL-UHFFFAOYSA-N 1 1 257.333 3.038 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1ccc(F)cc1O ZINC000840895234 635078226 /nfs/dbraw/zinc/07/82/26/635078226.db2.gz ZGUIQMNIYBTAKB-KYOSRNDESA-N 1 1 281.371 3.123 20 10 CGCDMO Cc1ccc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c(O)c1 ZINC000877539943 635079417 /nfs/dbraw/zinc/07/94/17/635079417.db2.gz QSWIDXMQQOUKQJ-JKSUJKDBSA-N 1 1 275.392 3.090 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)[C@H]2CCSC2)c(Cl)c1 ZINC000840911276 635080980 /nfs/dbraw/zinc/08/09/80/635080980.db2.gz ZWMBAQSILQQMAT-JTQLQIEISA-N 1 1 271.813 3.291 20 10 CGCDMO Cc1ccoc1C[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877546653 635082629 /nfs/dbraw/zinc/08/26/29/635082629.db2.gz VOEUZERBHHNUJY-UHFFFAOYSA-N 1 1 267.275 3.204 20 10 CGCDMO Cc1cc(O)c(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000840917892 635083171 /nfs/dbraw/zinc/08/31/71/635083171.db2.gz UYYBOCHBBLOOFP-STQMWFEESA-N 1 1 296.842 3.269 20 10 CGCDMO CSC[C@@H]1CCC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000877547570 635083229 /nfs/dbraw/zinc/08/32/29/635083229.db2.gz BIPNBIGQWRWTAM-CYBMUJFWSA-N 1 1 265.422 3.276 20 10 CGCDMO COC[C@H]1CCCC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840939434 635086853 /nfs/dbraw/zinc/08/68/53/635086853.db2.gz YBDZQWPISOUDDP-INIZCTEOSA-N 1 1 290.451 3.310 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@H](C3CCC3)C2)c1O ZINC000840979548 635100224 /nfs/dbraw/zinc/10/02/24/635100224.db2.gz XBVNFWGDSWJGSV-AWEZNQCLSA-N 1 1 275.392 3.413 20 10 CGCDMO C[C@H]([NH3+])c1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000841029207 635109379 /nfs/dbraw/zinc/10/93/79/635109379.db2.gz LVFKIIKCHIYBEM-NSHDSACASA-N 1 1 290.794 3.355 20 10 CGCDMO CN(C)c1ccc(/C=C\CN[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000841088742 635119482 /nfs/dbraw/zinc/11/94/82/635119482.db2.gz CBDLEIABCQFALN-IVZVJUQRSA-N 1 1 299.462 3.030 20 10 CGCDMO Oc1cccc2c1C[N@H+](Cc1scnc1C1CC1)C2 ZINC000877702741 635154161 /nfs/dbraw/zinc/15/41/61/635154161.db2.gz FUITTZBTXBTMSW-UHFFFAOYSA-N 1 1 272.373 3.242 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1scnc1C1CC1)C2 ZINC000877702741 635154168 /nfs/dbraw/zinc/15/41/68/635154168.db2.gz FUITTZBTXBTMSW-UHFFFAOYSA-N 1 1 272.373 3.242 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877740737 635175806 /nfs/dbraw/zinc/17/58/06/635175806.db2.gz TUXNPMZQXBOZBR-MNOVXSKESA-N 1 1 283.824 3.231 20 10 CGCDMO C[C@@H]([NH2+]Cc1cscn1)c1ccc(Cl)cc1O ZINC000841746623 635221545 /nfs/dbraw/zinc/22/15/45/635221545.db2.gz JJNLOCYAGUHLLC-MRVPVSSYSA-N 1 1 268.769 3.353 20 10 CGCDMO C[C@H]([NH2+]CCCCCCO)c1ccc(Cl)cc1O ZINC000841752041 635225407 /nfs/dbraw/zinc/22/54/07/635225407.db2.gz QKFCHICATHKWBJ-NSHDSACASA-N 1 1 271.788 3.249 20 10 CGCDMO C[C@@H]([NH2+]CCC(C)(C)CO)c1ccc(Cl)cc1O ZINC000841758937 635232083 /nfs/dbraw/zinc/23/20/83/635232083.db2.gz WHDADVUVRDPARQ-SNVBAGLBSA-N 1 1 271.788 3.105 20 10 CGCDMO CCCC[N@@H+](Cc1cc(C)nn1C)Cc1ccccc1O ZINC000841883711 635246359 /nfs/dbraw/zinc/24/63/59/635246359.db2.gz DWKMWOKMTJNNBD-UHFFFAOYSA-N 1 1 287.407 3.236 20 10 CGCDMO COCCCC[N@@H+](C)Cc1c(O)cc(C)cc1Cl ZINC000841893391 635248518 /nfs/dbraw/zinc/24/85/18/635248518.db2.gz DRJQOCDWSAUEPN-UHFFFAOYSA-N 1 1 271.788 3.212 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCSC[C@H]2C2CCC2)c1 ZINC000841893276 635248759 /nfs/dbraw/zinc/24/87/59/635248759.db2.gz HUUYWVWVDXFPIG-HNNXBMFYSA-N 1 1 277.433 3.418 20 10 CGCDMO CO[C@H]1C[C@@H](C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000877977108 635301995 /nfs/dbraw/zinc/30/19/95/635301995.db2.gz MLSUVWGDDMWZNB-RHNCMZPLSA-N 1 1 288.435 3.142 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CC2(CCCC2)O1 ZINC000843435697 635675587 /nfs/dbraw/zinc/67/55/87/635675587.db2.gz XJADPRPNQPBVJD-LBPRGKRZSA-N 1 1 279.355 3.065 20 10 CGCDMO CC(C)c1nnc(C[NH2+][C@H](C)c2ccccc2O)s1 ZINC000879649011 635826817 /nfs/dbraw/zinc/82/68/17/635826817.db2.gz HILMWOXWYFAGRN-SNVBAGLBSA-N 1 1 277.393 3.218 20 10 CGCDMO C[C@H]([NH2+]Cc1ncc(C2CC2)o1)c1ccccc1O ZINC000879650712 635827747 /nfs/dbraw/zinc/82/77/47/635827747.db2.gz PBLJJRRHCBXFHK-JTQLQIEISA-N 1 1 258.321 3.108 20 10 CGCDMO CC(C)c1noc([C@H](C)[NH2+][C@@H](C)c2ccccc2O)n1 ZINC000879651994 635827863 /nfs/dbraw/zinc/82/78/63/635827863.db2.gz SLGBQFWZPLLJMY-QWRGUYRKSA-N 1 1 275.352 3.310 20 10 CGCDMO CC(C)Oc1ccnc(C[N@@H+](C)Cc2ccccc2O)c1 ZINC000844305544 635865669 /nfs/dbraw/zinc/86/56/69/635865669.db2.gz DBQNWFNDOOWNGQ-UHFFFAOYSA-N 1 1 286.375 3.206 20 10 CGCDMO C[C@H]([NH2+][C@H]1CNc2ccccc2C1)c1ccc(F)cc1O ZINC000844921807 635984273 /nfs/dbraw/zinc/98/42/73/635984273.db2.gz UZIWUFORLOJYEN-SMDDNHRTSA-N 1 1 286.350 3.219 20 10 CGCDMO Cc1ncc([C@H](C)[NH2+]Cc2cc(F)cc(F)c2O)s1 ZINC000883193784 636577084 /nfs/dbraw/zinc/57/70/84/636577084.db2.gz FQCGIMBTONJTTQ-ZETCQYMHSA-N 1 1 284.331 3.286 20 10 CGCDMO CC(C)(C[NH2+]Cc1cc(F)cc(F)c1O)CC(F)F ZINC000883251656 636622655 /nfs/dbraw/zinc/62/26/55/636622655.db2.gz XFPUPMUYJDMICU-UHFFFAOYSA-N 1 1 279.277 3.441 20 10 CGCDMO CCc1cccc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c1O ZINC000848891023 636678052 /nfs/dbraw/zinc/67/80/52/636678052.db2.gz WEWUHASQHNPKSY-MRXNPFEDSA-N 1 1 299.418 3.198 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@H](C)[C@H](F)C2)c1O ZINC000848900111 636681467 /nfs/dbraw/zinc/68/14/67/636681467.db2.gz AYMCVLIUMPDRNO-SMDDNHRTSA-N 1 1 251.345 3.135 20 10 CGCDMO CCc1cccc(C[N@@H+](C)CCc2ccccn2)c1O ZINC000848903010 636682829 /nfs/dbraw/zinc/68/28/29/636682829.db2.gz WVEYZWGIHSEWNA-UHFFFAOYSA-N 1 1 270.376 3.024 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1O ZINC000848916864 636690002 /nfs/dbraw/zinc/69/00/02/636690002.db2.gz YAFODCIFAXYZBT-BBWFWOEESA-N 1 1 289.419 3.080 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1O ZINC000848919223 636691602 /nfs/dbraw/zinc/69/16/02/636691602.db2.gz IBJRURLGYXWNEZ-SJORKVTESA-N 1 1 289.419 3.346 20 10 CGCDMO CCc1cccc(C[N@H+]2CC3(C[C@H]2C)CCOCC3)c1O ZINC000848919296 636691791 /nfs/dbraw/zinc/69/17/91/636691791.db2.gz JGVGBFBAQMAZSU-CQSZACIVSA-N 1 1 289.419 3.346 20 10 CGCDMO COC[C@H](C)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000187260326 636800225 /nfs/dbraw/zinc/80/02/25/636800225.db2.gz HYPQNGKSSXBUEI-CQSZACIVSA-N 1 1 277.408 3.419 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)C2CCC(C)CC2)c1 ZINC000133503082 636907680 /nfs/dbraw/zinc/90/76/80/636907680.db2.gz FPBYCWKILZTLMA-UHFFFAOYSA-N 1 1 263.381 3.411 20 10 CGCDMO COc1cccc(C[N@@H+](C)C2CCC(C)CC2)c1O ZINC000133505227 636909900 /nfs/dbraw/zinc/90/99/00/636909900.db2.gz IYVZLLZXZBWMNV-UHFFFAOYSA-N 1 1 263.381 3.411 20 10 CGCDMO C[C@@]1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CC1(F)F ZINC000850379096 637039728 /nfs/dbraw/zinc/03/97/28/637039728.db2.gz DXPMLPMVDIPVAA-NSHDSACASA-N 1 1 279.689 3.320 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000850393253 637045240 /nfs/dbraw/zinc/04/52/40/637045240.db2.gz QMWWJMLKSQSPLH-PJXYFTJBSA-N 1 1 296.208 3.351 20 10 CGCDMO C[C@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000850495014 637091141 /nfs/dbraw/zinc/09/11/41/637091141.db2.gz VALDHGKPRBSXFV-HOCLYGCPSA-N 1 1 289.467 3.276 20 10 CGCDMO C[C@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000850495014 637091143 /nfs/dbraw/zinc/09/11/43/637091143.db2.gz VALDHGKPRBSXFV-HOCLYGCPSA-N 1 1 289.467 3.276 20 10 CGCDMO C[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1ccc(Cl)cc1O ZINC000850546584 637116743 /nfs/dbraw/zinc/11/67/43/637116743.db2.gz MWRNYQKVERNWRZ-ZYHUDNBSSA-N 1 1 283.799 3.105 20 10 CGCDMO C[C@H]([NH2+]Cc1ncccn1)c1ccc(N2CCCCC2)cc1 ZINC000850552643 637118767 /nfs/dbraw/zinc/11/87/67/637118767.db2.gz PCUHLGZYORFKMJ-HNNXBMFYSA-N 1 1 296.418 3.318 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)c1nccn1C)c1ccc(F)cc1O ZINC000850571875 637129892 /nfs/dbraw/zinc/12/98/92/637129892.db2.gz DGTIKSVVNLAJED-ZWNOBZJWSA-N 1 1 277.343 3.067 20 10 CGCDMO COc1cccc(C[NH2+][C@H](C)c2c(O)cccc2F)c1 ZINC000886491793 637540532 /nfs/dbraw/zinc/54/05/32/637540532.db2.gz RZZGSWAZVYFZQN-LLVKDONJSA-N 1 1 275.323 3.391 20 10 CGCDMO C[C@@H]([NH2+]CCCNc1ccccn1)c1c(O)cccc1F ZINC000886536940 637562131 /nfs/dbraw/zinc/56/21/31/637562131.db2.gz QUCGOYBVJQMQHT-GFCCVEGCSA-N 1 1 289.354 3.079 20 10 CGCDMO CSC1(C[NH2+][C@@H](C)c2c(O)cccc2F)CCOCC1 ZINC000886550241 637576234 /nfs/dbraw/zinc/57/62/34/637576234.db2.gz VNQMIECCQIWKAA-NSHDSACASA-N 1 1 299.411 3.094 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1c(O)cccc1F ZINC000886591730 637596852 /nfs/dbraw/zinc/59/68/52/637596852.db2.gz AFFNJZACOWTNDD-NVBFEUDRSA-N 1 1 279.355 3.140 20 10 CGCDMO CO[C@@H](CC[NH2+][C@H](C)c1c(O)cccc1F)C(F)(F)F ZINC000886596983 637598777 /nfs/dbraw/zinc/59/87/77/637598777.db2.gz STEAKZBNJVAYHV-KCJUWKMLSA-N 1 1 295.276 3.149 20 10 CGCDMO Cc1cc(C)c(C[NH2+][C@H](C)c2c(O)cccc2F)cn1 ZINC000886622191 637612959 /nfs/dbraw/zinc/61/29/59/637612959.db2.gz MMOAXVPDOZPFPQ-GFCCVEGCSA-N 1 1 274.339 3.394 20 10 CGCDMO CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)c2c(O)cccc2F)C1 ZINC000886623942 637615032 /nfs/dbraw/zinc/61/50/32/637615032.db2.gz UCUXSHOBUNDSMM-UTUOFQBUSA-N 1 1 267.344 3.138 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1c(O)cccc1F ZINC000886646922 637626831 /nfs/dbraw/zinc/62/68/31/637626831.db2.gz XPAHQLPGEMAUSH-ZXFLCMHBSA-N 1 1 263.234 3.133 20 10 CGCDMO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2cscn2)c1O ZINC000852417320 637649654 /nfs/dbraw/zinc/64/96/54/637649654.db2.gz KJIMXLPLGUBBOB-MRVPVSSYSA-N 1 1 294.351 3.041 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)cc1C(C)C ZINC000853585618 637870516 /nfs/dbraw/zinc/87/05/16/637870516.db2.gz HSFKYWRXAKVSOE-ZBFHGGJFSA-N 1 1 289.419 3.292 20 10 CGCDMO CCC[N@@H+](CCN1CCCCC1)Cc1ccccc1O ZINC000112680213 638104450 /nfs/dbraw/zinc/10/44/50/638104450.db2.gz HYAROJQRNFLFLI-UHFFFAOYSA-N 1 1 276.424 3.090 20 10 CGCDMO CCCN(CC[NH+]1CCCCC1)Cc1ccccc1O ZINC000112680213 638104451 /nfs/dbraw/zinc/10/44/51/638104451.db2.gz HYAROJQRNFLFLI-UHFFFAOYSA-N 1 1 276.424 3.090 20 10 CGCDMO CC[C@@H]([NH2+][C@H](CO)CCC(C)C)c1ccc(F)cc1O ZINC000858485962 638737774 /nfs/dbraw/zinc/73/77/74/638737774.db2.gz QWDKLCVGNYBMBS-DZGCQCFKSA-N 1 1 283.387 3.369 20 10 CGCDMO Cc1cnc(C[NH2+][C@H](C)c2c(O)cccc2F)c(C)c1 ZINC000926954806 638828924 /nfs/dbraw/zinc/82/89/24/638828924.db2.gz VXZUIXFBHMAVQX-GFCCVEGCSA-N 1 1 274.339 3.394 20 10 CGCDMO Cn1c(-c2ccccc2)cnc1SC[C@@H]1CC[N@@H+](C)C1 ZINC000187671586 640093662 /nfs/dbraw/zinc/09/36/62/640093662.db2.gz ISGFPNGSNAHNKQ-CYBMUJFWSA-N 1 1 287.432 3.131 20 10 CGCDMO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1nccs1 ZINC000078004078 640276887 /nfs/dbraw/zinc/27/68/87/640276887.db2.gz DMFVGSHZSHMTKO-CYBMUJFWSA-N 1 1 274.389 3.319 20 10 CGCDMO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cccc(Br)c1O ZINC000091859987 640724220 /nfs/dbraw/zinc/72/42/20/640724220.db2.gz AQBPSBYJGNQYFP-VHSXEESVSA-N 1 1 284.197 3.385 20 10 CGCDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cccc(Br)c1O ZINC000091859987 640724224 /nfs/dbraw/zinc/72/42/24/640724224.db2.gz AQBPSBYJGNQYFP-VHSXEESVSA-N 1 1 284.197 3.385 20 10 CGCDMO C[N@@H+](Cc1c[nH]nc1C(C)(C)C)Cc1ccccc1O ZINC000091974513 640728054 /nfs/dbraw/zinc/72/80/54/640728054.db2.gz XGHAVLGHCCPUKX-UHFFFAOYSA-N 1 1 273.380 3.045 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@H](CC(C)C)C2)c1O ZINC000093338540 640768185 /nfs/dbraw/zinc/76/81/85/640768185.db2.gz HFSUVXIJDHMWEG-CYBMUJFWSA-N 1 1 263.381 3.269 20 10 CGCDMO CC[C@@H]1COCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000096810777 640839225 /nfs/dbraw/zinc/83/92/25/640839225.db2.gz AIGDOQQUVNUNEB-CQSZACIVSA-N 1 1 271.360 3.156 20 10 CGCDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccccc1O ZINC000305750359 640902581 /nfs/dbraw/zinc/90/25/81/640902581.db2.gz ZHXLDKCPLLJDBQ-QGZVFWFLSA-N 1 1 285.387 3.165 20 10 CGCDMO CN(C)c1ccc(-c2nc3ccc(C[NH+](C)C)cc3[nH]2)cc1 ZINC001250468588 805636198 /nfs/dbraw/zinc/63/61/98/805636198.db2.gz GIBSJUUWMUIHRH-UHFFFAOYSA-N 1 1 294.402 3.358 20 10 CGCDMO CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC001254720987 806487164 /nfs/dbraw/zinc/48/71/64/806487164.db2.gz FGJVCEOTZTWQGH-VXGBXAGGSA-N 1 1 298.377 3.053 20 10 CGCDMO COc1ccc(CNC[C@@H](C)C[NH+]2CCCCC2)cc1C ZINC000037997642 798883890 /nfs/dbraw/zinc/88/38/90/798883890.db2.gz LXQUZYKNKGCSPR-OAHLLOKOSA-N 1 1 290.451 3.215 20 10 CGCDMO Cc1ccc(O)c(CNCCC[N@@H+](C)C2CCCCC2)c1 ZINC000071408174 798917076 /nfs/dbraw/zinc/91/70/76/798917076.db2.gz CGISPKTUJHROOL-UHFFFAOYSA-N 1 1 290.451 3.445 20 10 CGCDMO Cc1ccc(O)c(CNCCC[N@H+](C)C2CCCCC2)c1 ZINC000071408174 798917080 /nfs/dbraw/zinc/91/70/80/798917080.db2.gz CGISPKTUJHROOL-UHFFFAOYSA-N 1 1 290.451 3.445 20 10 CGCDMO C[C@H]1C[C@H](C)[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000161294373 799079399 /nfs/dbraw/zinc/07/93/99/799079399.db2.gz GGCFNNMQLJZFCB-UWVGGRQHSA-N 1 1 284.197 3.385 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)[C@H]1C ZINC000380726795 799365658 /nfs/dbraw/zinc/36/56/58/799365658.db2.gz FWIKOHVJPIUNHQ-UWVGGRQHSA-N 1 1 284.197 3.385 20 10 CGCDMO C[C@@H](Cc1ccccn1)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000694009348 799818999 /nfs/dbraw/zinc/81/89/99/799818999.db2.gz ZHUHAIGKOSOHEY-RYUDHWBXSA-N 1 1 274.339 3.208 20 10 CGCDMO CC(C)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000694440909 799821395 /nfs/dbraw/zinc/82/13/95/799821395.db2.gz BRQCWXIWUDTWRD-GFCCVEGCSA-N 1 1 251.345 3.399 20 10 CGCDMO CCO[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000701668372 799892621 /nfs/dbraw/zinc/89/26/21/799892621.db2.gz PWVHPZQSCMZLAV-AWEZNQCLSA-N 1 1 271.360 3.156 20 10 CGCDMO CCCO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000706503050 799963462 /nfs/dbraw/zinc/96/34/62/799963462.db2.gz BBVAZOASTZJCMH-ZDUSSCGKSA-N 1 1 299.798 3.055 20 10 CGCDMO [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000708440937 799988788 /nfs/dbraw/zinc/98/87/88/799988788.db2.gz FXVWZLPEISJKOP-SNVBAGLBSA-N 1 1 273.298 3.242 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000708440937 799988796 /nfs/dbraw/zinc/98/87/96/799988796.db2.gz FXVWZLPEISJKOP-SNVBAGLBSA-N 1 1 273.298 3.242 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000708440937 799988802 /nfs/dbraw/zinc/98/88/02/799988802.db2.gz FXVWZLPEISJKOP-SNVBAGLBSA-N 1 1 273.298 3.242 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]Cc1ccc(F)cc1 ZINC000708485253 799990072 /nfs/dbraw/zinc/99/00/72/799990072.db2.gz MBCGUGQTSBVMMX-UHFFFAOYSA-N 1 1 267.250 3.099 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@H](C3CCCC3)C2)c1O ZINC000708870485 799999593 /nfs/dbraw/zinc/99/95/93/799999593.db2.gz QKCFKYFIOCVWFT-AWEZNQCLSA-N 1 1 275.392 3.413 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1ccc(F)cc1O ZINC000711470740 800061721 /nfs/dbraw/zinc/06/17/21/800061721.db2.gz DFLHBLRVBBKJLJ-AAEUAGOBSA-N 1 1 279.355 3.284 20 10 CGCDMO CO[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CC[C@@H]1C ZINC001116721086 802401654 /nfs/dbraw/zinc/40/16/54/802401654.db2.gz PVQXGGIPXSABGR-MAUKXSAKSA-N 1 1 288.435 3.144 20 10 CGCDMO CO[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CC[C@H]1C ZINC001116721087 802401697 /nfs/dbraw/zinc/40/16/97/802401697.db2.gz PVQXGGIPXSABGR-QAPCUYQASA-N 1 1 288.435 3.144 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@@H](F)C2)c1 ZINC001118177422 802534592 /nfs/dbraw/zinc/53/45/92/802534592.db2.gz RAOBCASOJQOZBC-CYZMBNFOSA-N 1 1 295.354 3.110 20 10 CGCDMO COc1ccc(C[N@H+]2CC[C@@H](CC(C)C)C2)c(O)c1OC ZINC001120018110 802725646 /nfs/dbraw/zinc/72/56/46/802725646.db2.gz MJUJXNOQSSTKFI-ZDUSSCGKSA-N 1 1 293.407 3.277 20 10 CGCDMO CCOc1cccc(C[N@@H+](CCCCCO)C(C)C)c1O ZINC001203615338 812406324 /nfs/dbraw/zinc/40/63/24/812406324.db2.gz REPNBEPWSIVQNF-UHFFFAOYSA-N 1 1 295.423 3.164 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC001137837817 803780478 /nfs/dbraw/zinc/78/04/78/803780478.db2.gz VRRDEUASQJCJSB-OAHLLOKOSA-N 1 1 272.323 3.263 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC001137837817 803780480 /nfs/dbraw/zinc/78/04/80/803780480.db2.gz VRRDEUASQJCJSB-OAHLLOKOSA-N 1 1 272.323 3.263 20 10 CGCDMO Oc1cccc(F)c1C[NH+]1CCC2(CC(F)C2)CC1 ZINC001137833087 803780545 /nfs/dbraw/zinc/78/05/45/803780545.db2.gz RZUKOJAUSWCBGY-UHFFFAOYSA-N 1 1 267.319 3.245 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@@](C)(O)C2)c(C)n1-c1ccccc1 ZINC001137857199 803786376 /nfs/dbraw/zinc/78/63/76/803786376.db2.gz BWHRNTUKJUVIDD-LJQANCHMSA-N 1 1 298.430 3.441 20 10 CGCDMO Oc1c(F)cccc1C[N@H+](Cc1ccco1)C1CC1 ZINC001138129476 803863473 /nfs/dbraw/zinc/86/34/73/803863473.db2.gz FTYSYCJFGKPLNM-UHFFFAOYSA-N 1 1 261.296 3.289 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+](Cc1ccco1)C1CC1 ZINC001138129476 803863481 /nfs/dbraw/zinc/86/34/81/803863481.db2.gz FTYSYCJFGKPLNM-UHFFFAOYSA-N 1 1 261.296 3.289 20 10 CGCDMO [O-]c1c(F)cccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001138123863 803864609 /nfs/dbraw/zinc/86/46/09/803864609.db2.gz ORLMCFXYNOGBQU-PHIMTYICSA-N 1 1 271.282 3.008 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001138123863 803864618 /nfs/dbraw/zinc/86/46/18/803864618.db2.gz ORLMCFXYNOGBQU-PHIMTYICSA-N 1 1 271.282 3.008 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001138123863 803864625 /nfs/dbraw/zinc/86/46/25/803864625.db2.gz ORLMCFXYNOGBQU-PHIMTYICSA-N 1 1 271.282 3.008 20 10 CGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCCC12COC2 ZINC001138220052 803873881 /nfs/dbraw/zinc/87/38/81/803873881.db2.gz YAJZXJCJRMIGOQ-UHFFFAOYSA-N 1 1 286.419 3.042 20 10 CGCDMO C[C@H]1CC[C@@H](CO)[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001138215688 803874025 /nfs/dbraw/zinc/87/40/25/803874025.db2.gz PCNIRVNJHNXMHC-YJBOKZPZSA-N 1 1 288.435 3.022 20 10 CGCDMO Cc1c(C[N@H+]2CC[C@@H](O)[C@@H](C)CC2)c2ccccc2n1C ZINC001138252279 803880258 /nfs/dbraw/zinc/88/02/58/803880258.db2.gz AKPLSGHEHSBRTR-SCLBCKFNSA-N 1 1 286.419 3.080 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2ccc3c(c2)CCCN3C)cn1 ZINC001138357126 803902438 /nfs/dbraw/zinc/90/24/38/803902438.db2.gz BQWWYYMXWMVDEI-UHFFFAOYSA-N 1 1 295.430 3.404 20 10 CGCDMO CCO[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138357790 803902504 /nfs/dbraw/zinc/90/25/04/803902504.db2.gz KMUMLZKFPNDJJO-KRWDZBQOSA-N 1 1 288.435 3.070 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CCc4ncccc4C3)ccc21 ZINC001138357773 803903457 /nfs/dbraw/zinc/90/34/57/803903457.db2.gz JWDAJKIPRGHWBQ-UHFFFAOYSA-N 1 1 293.414 3.022 20 10 CGCDMO COc1ccc(C)cc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001138487268 803949182 /nfs/dbraw/zinc/94/91/82/803949182.db2.gz KAKLLIQTLVPSJV-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc3ccnn32)cc1 ZINC001138807607 804043863 /nfs/dbraw/zinc/04/38/63/804043863.db2.gz QACBBHZOIMNSNC-UHFFFAOYSA-N 1 1 294.402 3.032 20 10 CGCDMO Cc1cc(C[N@H+]2CCc3cc(O)ccc3C2)ccc1N(C)C ZINC001139670173 804248674 /nfs/dbraw/zinc/24/86/74/804248674.db2.gz JJPYKHJFMAQCJJ-UHFFFAOYSA-N 1 1 296.414 3.325 20 10 CGCDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139684562 804252165 /nfs/dbraw/zinc/25/21/65/804252165.db2.gz ZHWPGLPEEYSIMQ-CYBMUJFWSA-N 1 1 285.334 3.060 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001140057425 804365326 /nfs/dbraw/zinc/36/53/26/804365326.db2.gz HGBQXIFECCVOIX-MWLCHTKSSA-N 1 1 295.251 3.111 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@H](c3ccccn3)C2)c1O ZINC001140180352 804396294 /nfs/dbraw/zinc/39/62/94/804396294.db2.gz VNNOZUWGCLYJOQ-HNNXBMFYSA-N 1 1 282.387 3.394 20 10 CGCDMO C[N@H+](Cc1ccccc1O)Cc1cc(Cl)ncc1F ZINC001140609234 804474699 /nfs/dbraw/zinc/47/46/99/804474699.db2.gz QCMFRNFMQDTVOM-UHFFFAOYSA-N 1 1 280.730 3.212 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1cc(Cl)ncc1F ZINC001140609234 804474702 /nfs/dbraw/zinc/47/47/02/804474702.db2.gz QCMFRNFMQDTVOM-UHFFFAOYSA-N 1 1 280.730 3.212 20 10 CGCDMO Cc1c(O)ccc(C[N@@H+]2CCC[C@H](C)[C@@H](C)C2)c1O ZINC001140742162 804502548 /nfs/dbraw/zinc/50/25/48/804502548.db2.gz JFGADYBWMLJGRZ-RYUDHWBXSA-N 1 1 263.381 3.274 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c1O ZINC001140744437 804503425 /nfs/dbraw/zinc/50/34/25/804503425.db2.gz XFCYNWZCNYIDJZ-QWHCGFSZSA-N 1 1 261.365 3.028 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c(O)c1 ZINC001140855099 804533647 /nfs/dbraw/zinc/53/36/47/804533647.db2.gz NGPKURQQDYOLOQ-CWRNSKLLSA-N 1 1 292.398 3.171 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C2CC(F)(F)C2)c(O)c1 ZINC001140850243 804534201 /nfs/dbraw/zinc/53/42/01/804534201.db2.gz HVHSAZFEJRIALB-UHFFFAOYSA-N 1 1 298.377 3.468 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2cnc(Cl)s2)c(O)c1 ZINC001140947845 804555751 /nfs/dbraw/zinc/55/57/51/804555751.db2.gz IBCZQRMXTJNZGU-UHFFFAOYSA-N 1 1 282.796 3.443 20 10 CGCDMO Cc1ccc(C[N@@H+](C)Cc2cnc(Cl)s2)c(O)c1 ZINC001140947845 804555756 /nfs/dbraw/zinc/55/57/56/804555756.db2.gz IBCZQRMXTJNZGU-UHFFFAOYSA-N 1 1 282.796 3.443 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)c(O)c1 ZINC001140950193 804557211 /nfs/dbraw/zinc/55/72/11/804557211.db2.gz UYNJHYDESBBOEV-QGZVFWFLSA-N 1 1 282.387 3.303 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCN(C)[C@@H](c3ccccc3)C2)c(O)c1 ZINC001140950056 804559067 /nfs/dbraw/zinc/55/90/67/804559067.db2.gz SRVLKBHGCNBHKK-GOSISDBHSA-N 1 1 296.414 3.189 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccn3ccnc3c2)cc1 ZINC001141049500 804578067 /nfs/dbraw/zinc/57/80/67/804578067.db2.gz HWKIEZIWPGIUOI-UHFFFAOYSA-N 1 1 294.402 3.032 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCN3C)[C@H]1C ZINC001141142828 804596481 /nfs/dbraw/zinc/59/64/81/804596481.db2.gz BYUPMMYIJMEKPQ-KBPBESRZSA-N 1 1 274.408 3.136 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCN3C)C[C@@H]1C ZINC001141140441 804596791 /nfs/dbraw/zinc/59/67/91/804596791.db2.gz MFVPKSMVVXWCCK-CABCVRRESA-N 1 1 288.435 3.383 20 10 CGCDMO CC(C)[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141145629 804598698 /nfs/dbraw/zinc/59/86/98/804598698.db2.gz XCWLOQFGOVAKMK-HNNXBMFYSA-N 1 1 274.408 3.136 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CCC[C@H]2c2ccccc2)c1 ZINC001141158590 804599433 /nfs/dbraw/zinc/59/94/33/804599433.db2.gz FWWSOMLOJFJRHS-INIZCTEOSA-N 1 1 269.344 3.435 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC001142508487 804728094 /nfs/dbraw/zinc/72/80/94/804728094.db2.gz ANVSSNAMMVKYDB-UHFFFAOYSA-N 1 1 295.251 3.445 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH+]1CCc2ccccc2CC1 ZINC001142520398 804730587 /nfs/dbraw/zinc/73/05/87/804730587.db2.gz IBEMABRIDMOVAW-UHFFFAOYSA-N 1 1 289.325 3.271 20 10 CGCDMO Cc1ncccc1C[N@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001142531315 804733287 /nfs/dbraw/zinc/73/32/87/804733287.db2.gz TVQFXUDRKWOLBH-UHFFFAOYSA-N 1 1 278.302 3.006 20 10 CGCDMO Cc1ncccc1C[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001142531315 804733291 /nfs/dbraw/zinc/73/32/91/804733291.db2.gz TVQFXUDRKWOLBH-UHFFFAOYSA-N 1 1 278.302 3.006 20 10 CGCDMO Cc1ncccc1C[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001142531315 804733296 /nfs/dbraw/zinc/73/32/96/804733296.db2.gz TVQFXUDRKWOLBH-UHFFFAOYSA-N 1 1 278.302 3.006 20 10 CGCDMO CC(C)(C)c1cccc(C[NH+]2CC3(C2)CCCCO3)c1O ZINC001143103428 804801422 /nfs/dbraw/zinc/80/14/22/804801422.db2.gz CZBFVFXMHPGTEV-UHFFFAOYSA-N 1 1 289.419 3.445 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)CC[C@]1(C)O ZINC001143104521 804801752 /nfs/dbraw/zinc/80/17/52/804801752.db2.gz USLWGZIFHAAIFM-UGSOOPFHSA-N 1 1 291.435 3.283 20 10 CGCDMO CCN(CC)CC[N@H+](C)Cc1cccc(C(C)(C)C)c1O ZINC001143104382 804801937 /nfs/dbraw/zinc/80/19/37/804801937.db2.gz SKUWYTCKOZGJFS-UHFFFAOYSA-N 1 1 292.467 3.463 20 10 CGCDMO CCN(CC)CC[N@@H+](C)Cc1cccc(C(C)(C)C)c1O ZINC001143104382 804801939 /nfs/dbraw/zinc/80/19/39/804801939.db2.gz SKUWYTCKOZGJFS-UHFFFAOYSA-N 1 1 292.467 3.463 20 10 CGCDMO Cc1ccc2[nH]c(C[N@@H+](C)Cc3ccccc3O)nc2c1 ZINC001248842853 805017292 /nfs/dbraw/zinc/01/72/92/805017292.db2.gz MXYSEUHAQXDFFC-UHFFFAOYSA-N 1 1 281.359 3.209 20 10 CGCDMO Cc1ccc2[nH]c(C[N@H+](C)Cc3ccccc3O)nc2c1 ZINC001248842853 805017303 /nfs/dbraw/zinc/01/73/03/805017303.db2.gz MXYSEUHAQXDFFC-UHFFFAOYSA-N 1 1 281.359 3.209 20 10 CGCDMO CC1(C)CC[C@@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001258607876 807505083 /nfs/dbraw/zinc/50/50/83/807505083.db2.gz TWOWEEQCVRVGAX-CQSZACIVSA-N 1 1 275.392 3.425 20 10 CGCDMO C[C@@H]1CCC[C@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001258826614 807641126 /nfs/dbraw/zinc/64/11/26/807641126.db2.gz DVNLLJTXDNZQTJ-DOMZBBRYSA-N 1 1 275.392 3.425 20 10 CGCDMO Oc1ccc2c(c1)C1(CC1)C[N@H+](Cc1cc(F)ccc1O)C2 ZINC001261213184 807715778 /nfs/dbraw/zinc/71/57/78/807715778.db2.gz ACUICEKVTVWRHP-UHFFFAOYSA-N 1 1 299.345 3.284 20 10 CGCDMO CC[C@H]1C[C@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)CCO1 ZINC001170237217 807799833 /nfs/dbraw/zinc/79/98/33/807799833.db2.gz HRVKBJVAYCSSIQ-SJORKVTESA-N 1 1 276.424 3.142 20 10 CGCDMO Oc1c(Nc2cc[nH+]c3ccccc23)ccc(F)c1F ZINC001174039007 808836984 /nfs/dbraw/zinc/83/69/84/808836984.db2.gz IRGQURUNPQWOAB-UHFFFAOYSA-N 1 1 272.254 3.384 20 10 CGCDMO Cc1cccc(O)c1Nc1cc[nH+]c2ccccc12 ZINC001174039894 808839044 /nfs/dbraw/zinc/83/90/44/808839044.db2.gz GXNQKFQFBAYNLG-UHFFFAOYSA-N 1 1 250.301 3.414 20 10 CGCDMO CC(=O)Nc1ccc(O)c(Nc2cc[nH+]c3ccccc23)c1 ZINC001174040625 808840271 /nfs/dbraw/zinc/84/02/71/808840271.db2.gz SMVPCBOYCOHALY-UHFFFAOYSA-N 1 1 293.326 3.064 20 10 CGCDMO CCCN(CCC)c1ccc(C[NH2+]Cc2cc[nH]n2)cc1 ZINC001177186417 809785369 /nfs/dbraw/zinc/78/53/69/809785369.db2.gz NVXAWLJBNOMVIN-UHFFFAOYSA-N 1 1 286.423 3.326 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@H](C3CC3)C2)cc1 ZINC001180082803 809971786 /nfs/dbraw/zinc/97/17/86/809971786.db2.gz TVEXINRVLRZPLE-IDOMTICXSA-N 1 1 270.420 3.498 20 10 CGCDMO C=C/C=C/CC[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC001195791081 811291346 /nfs/dbraw/zinc/29/13/46/811291346.db2.gz XCFFZPMVYTXLIW-VOTSOKGWSA-N 1 1 274.408 3.196 20 10 CGCDMO CC[N@@H+](CCNCc1c(O)cc(C)cc1Cl)C(C)C ZINC001199991484 811623945 /nfs/dbraw/zinc/62/39/45/811623945.db2.gz YEOPNZIFAVPPEH-UHFFFAOYSA-N 1 1 284.831 3.174 20 10 CGCDMO CCN(CC[NH2+]Cc1c(O)cc(C)cc1Cl)C(C)C ZINC001199991484 811623949 /nfs/dbraw/zinc/62/39/49/811623949.db2.gz YEOPNZIFAVPPEH-UHFFFAOYSA-N 1 1 284.831 3.174 20 10 CGCDMO Cn1cccc1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001203263463 812284196 /nfs/dbraw/zinc/28/41/96/812284196.db2.gz CXXUBMJZPOXRDR-UHFFFAOYSA-N 1 1 283.419 3.257 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@H]1COCc1ccccc1 ZINC001203555695 812390341 /nfs/dbraw/zinc/39/03/41/812390341.db2.gz GGVVFPUKNVZSCJ-KRWDZBQOSA-N 1 1 283.371 3.183 20 10 CGCDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1Cc1ccccc1O ZINC001203558611 812392689 /nfs/dbraw/zinc/39/26/89/812392689.db2.gz PPLIIFYKTNULDS-AWEZNQCLSA-N 1 1 291.391 3.088 20 10 CGCDMO COc1cccc(C[N@@H+](C)CCC(=O)c2ccccc2)c1O ZINC001203595770 812404252 /nfs/dbraw/zinc/40/42/52/812404252.db2.gz KTXMQPUMERKKOU-UHFFFAOYSA-N 1 1 299.370 3.106 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC[C@H]2C(C)(C)OC)c1O ZINC001203609040 812405310 /nfs/dbraw/zinc/40/53/10/812405310.db2.gz GXWYSHYHNBLTTG-HNNXBMFYSA-N 1 1 293.407 3.180 20 10 CGCDMO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)on2)c(O)c1 ZINC001203620757 812408982 /nfs/dbraw/zinc/40/89/82/812408982.db2.gz HOHOBGCKCKEJGV-HNNXBMFYSA-N 1 1 288.347 3.034 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@H]2c2cc(C)on2)c(O)c1 ZINC001203620757 812408989 /nfs/dbraw/zinc/40/89/89/812408989.db2.gz HOHOBGCKCKEJGV-HNNXBMFYSA-N 1 1 288.347 3.034 20 10 CGCDMO COc1ccc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c(O)c1 ZINC001203621377 812409575 /nfs/dbraw/zinc/40/95/75/812409575.db2.gz BZSJGOAIUSFPEX-OLZOCXBDSA-N 1 1 261.365 3.023 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2ccc(OC)cc2O)c1 ZINC001203630393 812412316 /nfs/dbraw/zinc/41/23/16/812412316.db2.gz RZHDXSPSOCXUJZ-UHFFFAOYSA-N 1 1 287.359 3.041 20 10 CGCDMO Oc1ccc(Br)cc1C[N@H+]1CCCC12CC2 ZINC001203636522 812412617 /nfs/dbraw/zinc/41/26/17/812412617.db2.gz VZSRNQMACDKBDC-UHFFFAOYSA-N 1 1 282.181 3.283 20 10 CGCDMO Oc1ccc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1O ZINC001203878784 812478571 /nfs/dbraw/zinc/47/85/71/812478571.db2.gz BRZVZPDLVPZXIO-ZIAGYGMSSA-N 1 1 261.365 3.110 20 10 CGCDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc(O)c(O)c2)cn1 ZINC001203878571 812478622 /nfs/dbraw/zinc/47/86/22/812478622.db2.gz CUVNVCFOZBVQPO-OAHLLOKOSA-N 1 1 284.359 3.138 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)cc1 ZINC001203931034 812495027 /nfs/dbraw/zinc/49/50/27/812495027.db2.gz LVDYEOAYQXDHFK-OKILXGFUSA-N 1 1 280.362 3.230 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)cc1 ZINC001203934355 812496196 /nfs/dbraw/zinc/49/61/96/812496196.db2.gz RSMCYBOPFNCMGY-IBGZPJMESA-N 1 1 296.414 3.406 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@](C)(O)[C@@H](C)C2)cc1 ZINC001203939978 812497624 /nfs/dbraw/zinc/49/76/24/812497624.db2.gz HCPROBSAODOHIN-YJBOKZPZSA-N 1 1 290.451 3.126 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](COCC3CC3)C2)cc1 ZINC001203937653 812498143 /nfs/dbraw/zinc/49/81/43/812498143.db2.gz JFAGRKOVTUMZLZ-KRWDZBQOSA-N 1 1 288.435 3.001 20 10 CGCDMO CC[N@@H+](Cc1ccc(OC(C)=O)cc1)Cc1ccccc1O ZINC001203951997 812500603 /nfs/dbraw/zinc/50/06/03/812500603.db2.gz RHQINZOEPFDLJJ-UHFFFAOYSA-N 1 1 299.370 3.340 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c2ccccc21 ZINC001204236418 812581413 /nfs/dbraw/zinc/58/14/13/812581413.db2.gz VORRFMXEGODFKQ-GASCZTMLSA-N 1 1 266.388 3.358 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)CCC1=O ZINC001204323401 812613417 /nfs/dbraw/zinc/61/34/17/812613417.db2.gz HRSARUUAQTVKMI-HNNXBMFYSA-N 1 1 286.419 3.088 20 10 CGCDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2ccc(C)cc2O)C1(C)C ZINC001204359003 812621061 /nfs/dbraw/zinc/62/10/61/812621061.db2.gz NYRWXWMLCCOHTH-RDJZCZTQSA-N 1 1 277.408 3.336 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC001204594036 812684175 /nfs/dbraw/zinc/68/41/75/812684175.db2.gz WIAOQDQIRDTBBJ-HZPDHXFCSA-N 1 1 289.419 3.374 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCCC[C@@H](C)C2)c1O ZINC001205437760 812982415 /nfs/dbraw/zinc/98/24/15/812982415.db2.gz JUPPBPMUBFWWBW-GFCCVEGCSA-N 1 1 263.381 3.331 20 10 CGCDMO C[N@H+](Cc1ccsc1)Cc1cc(F)cc(F)c1O ZINC001205629594 813035195 /nfs/dbraw/zinc/03/51/95/813035195.db2.gz XWHFFCNFRDFKBO-UHFFFAOYSA-N 1 1 269.316 3.364 20 10 CGCDMO C[N@@H+](Cc1ccsc1)Cc1cc(F)cc(F)c1O ZINC001205629594 813035205 /nfs/dbraw/zinc/03/52/05/813035205.db2.gz XWHFFCNFRDFKBO-UHFFFAOYSA-N 1 1 269.316 3.364 20 10 CGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2ccoc2C)cc1 ZINC001206544327 813346021 /nfs/dbraw/zinc/34/60/21/813346021.db2.gz JQQDYDWAPQTUQU-UHFFFAOYSA-N 1 1 288.391 3.165 20 10 CGCDMO Oc1cc2c(cc1O)C[N@@H+](CCc1cccs1)CCC2 ZINC001209226479 813974983 /nfs/dbraw/zinc/97/49/83/813974983.db2.gz VZKGITQZQZDKGS-UHFFFAOYSA-N 1 1 289.400 3.150 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2[C@@H](C)CC[C@H]2CO)cc1 ZINC001209517093 814070690 /nfs/dbraw/zinc/07/06/90/814070690.db2.gz XWKCNFVQOSLLAP-LIRRHRJNSA-N 1 1 298.430 3.439 20 10 CGCDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1cccc(C)c1O ZINC001231593175 818131382 /nfs/dbraw/zinc/13/13/82/818131382.db2.gz QESUHHOXZUAEOP-AWEZNQCLSA-N 1 1 263.381 3.090 20 10 CGCDMO O=C1CCC[C@@H]2C[N@H+](Cc3c(O)ccc4ccccc43)C[C@@H]12 ZINC001231590627 818131848 /nfs/dbraw/zinc/13/18/48/818131848.db2.gz CITMIYAYXJSUMV-GDBMZVCRSA-N 1 1 295.382 3.346 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@H](C(=O)c3ccccc3)C2)c1O ZINC001231594662 818133379 /nfs/dbraw/zinc/13/33/79/818133379.db2.gz MQXROEOGWWEVGD-KRWDZBQOSA-N 1 1 295.382 3.405 20 10 CGCDMO CCCC[N@@H+](CCC)Cc1cc(OC)c(O)cc1O ZINC001231637016 818144282 /nfs/dbraw/zinc/14/42/82/818144282.db2.gz YAFZUSSZCBKPHV-UHFFFAOYSA-N 1 1 267.369 3.119 20 10 CGCDMO COc1cc(C[N@@H+](C)[C@@H]2CCc3ccccc32)c(O)cc1O ZINC001231640736 818144616 /nfs/dbraw/zinc/14/46/16/818144616.db2.gz UKPZBQOCIWLENT-OAHLLOKOSA-N 1 1 299.370 3.226 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@](C)(F)CC1 ZINC001231849239 818188924 /nfs/dbraw/zinc/18/89/24/818188924.db2.gz PQHJASUZXCCUNN-KRWDZBQOSA-N 1 1 294.414 3.475 20 10 CGCDMO Cc1cc(O)c(CN2CC[C@H]([N@@H+](C)C3CC3)C2)cc1Cl ZINC001231870244 818194054 /nfs/dbraw/zinc/19/40/54/818194054.db2.gz PNFYAYPSKONDMU-AWEZNQCLSA-N 1 1 294.826 3.023 20 10 CGCDMO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001231870314 818194559 /nfs/dbraw/zinc/19/45/59/818194559.db2.gz TVEWQKMTSTYLJQ-WFASDCNBSA-N 1 1 281.783 3.107 20 10 CGCDMO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001231870314 818194567 /nfs/dbraw/zinc/19/45/67/818194567.db2.gz TVEWQKMTSTYLJQ-WFASDCNBSA-N 1 1 281.783 3.107 20 10 CGCDMO Oc1c(C[NH+]2CC(N3CCCCC3)C2)ccc2ccccc21 ZINC001231880606 818198752 /nfs/dbraw/zinc/19/87/52/818198752.db2.gz KHPGOLDSRDCWST-UHFFFAOYSA-N 1 1 296.414 3.216 20 10 CGCDMO CC(C)[C@H]1COCC[N@H+]1Cc1ccc2ccccc2c1O ZINC001231881354 818199797 /nfs/dbraw/zinc/19/97/97/818199797.db2.gz VVHDIVFZADQPQE-QGZVFWFLSA-N 1 1 285.387 3.402 20 10 CGCDMO CC(C)(C)N1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC001231882682 818201183 /nfs/dbraw/zinc/20/11/83/818201183.db2.gz RGYMQOMBMINECZ-UHFFFAOYSA-N 1 1 298.430 3.462 20 10 CGCDMO CC[N@@H+](C)C1CCN(Cc2ccc3ccccc3c2O)CC1 ZINC001231883321 818201608 /nfs/dbraw/zinc/20/16/08/818201608.db2.gz OEFBZBRXXFNLDC-UHFFFAOYSA-N 1 1 298.430 3.462 20 10 CGCDMO CC(C)N1CC[N@@H+](Cc2ccc3ccccc3c2O)C[C@@H]1C ZINC001231884070 818202091 /nfs/dbraw/zinc/20/20/91/818202091.db2.gz VEJICQQTHQRUDV-HNNXBMFYSA-N 1 1 298.430 3.460 20 10 CGCDMO CC(C)[N@@H+]1CCN(Cc2ccc3ccccc3c2O)C[C@@H]1C ZINC001231884070 818202096 /nfs/dbraw/zinc/20/20/96/818202096.db2.gz VEJICQQTHQRUDV-HNNXBMFYSA-N 1 1 298.430 3.460 20 10 CGCDMO CC(C)[N@H+]1CCN(Cc2ccc3ccccc3c2O)C[C@@H]1C ZINC001231884070 818202100 /nfs/dbraw/zinc/20/21/00/818202100.db2.gz VEJICQQTHQRUDV-HNNXBMFYSA-N 1 1 298.430 3.460 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCC[C@@]1(C)O ZINC001231909653 818209889 /nfs/dbraw/zinc/20/98/89/818209889.db2.gz GXUFOGSBIJOQJN-IAQYHMDHSA-N 1 1 283.799 3.029 20 10 CGCDMO C[N@@H+](Cc1cccc(C(F)(F)F)n1)Cc1ccccc1O ZINC001232073144 818247794 /nfs/dbraw/zinc/24/77/94/818247794.db2.gz BVTWRTPVWVCZHC-UHFFFAOYSA-N 1 1 296.292 3.438 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccccc2F)c(O)c1 ZINC001232839630 818453743 /nfs/dbraw/zinc/45/37/43/818453743.db2.gz RRMFDDBCVCTPAH-UHFFFAOYSA-N 1 1 288.366 3.229 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)C(C)C)cc1Br ZINC001233134902 818527878 /nfs/dbraw/zinc/52/78/78/818527878.db2.gz HHTHQWNUVXZTLJ-UHFFFAOYSA-N 1 1 288.185 3.004 20 10 CGCDMO Cc1cc(C[N@H+](C)Cc2ccccc2O)cnc1C ZINC001233161010 818529405 /nfs/dbraw/zinc/52/94/05/818529405.db2.gz OONNBFZJPMDYKP-UHFFFAOYSA-N 1 1 256.349 3.036 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1cccc(O)c1OC ZINC001233257645 818555664 /nfs/dbraw/zinc/55/56/64/818555664.db2.gz UOMNYAZFRQCLLT-UHFFFAOYSA-N 1 1 287.359 3.129 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c1 ZINC001233284014 818565727 /nfs/dbraw/zinc/56/57/27/818565727.db2.gz DTKMLZCTXOIASW-GASCZTMLSA-N 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/nfs/dbraw/zinc/28/04/97/938280497.db2.gz LJPDLTDGMNHTAB-CQSZACIVSA-N 1 1 267.319 3.291 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@@H]3[C@H](C2)C3(F)F)c1O ZINC001560877659 938281357 /nfs/dbraw/zinc/28/13/57/938281357.db2.gz ZNHBHBVDBPAKDQ-OLZOCXBDSA-N 1 1 267.319 3.042 20 10 CGCDMO Oc1c(F)cccc1C[NH2+]Cc1noc2cc(F)ccc12 ZINC001560982099 938287779 /nfs/dbraw/zinc/28/77/79/938287779.db2.gz YFWLDFGLQKYNAA-UHFFFAOYSA-N 1 1 290.269 3.101 20 10 CGCDMO CCO[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2F)C12CCCC2 ZINC001561016024 938289609 /nfs/dbraw/zinc/28/96/09/938289609.db2.gz MVWATKNKCBLCIV-HOTGVXAUSA-N 1 1 293.382 3.359 20 10 CGCDMO C[C@@H]1CCC[C@H](C[NH2+]Cc2c(O)cccc2F)C1 ZINC001561015574 938289753 /nfs/dbraw/zinc/28/97/53/938289753.db2.gz AGYZKQPMJFCBNC-NEPJUHHUSA-N 1 1 251.345 3.447 20 10 CGCDMO CNc1ccc(NC/C=C\c2ccc(N(C)C)cc2)c[nH+]1 ZINC001578759868 962599301 /nfs/dbraw/zinc/59/93/01/962599301.db2.gz ADJXFRPQXNDPBE-PLNGDYQASA-N 1 1 282.391 3.315 20 10 CGCDMO CC[N@@H+](CCCF)Cc1cc(Br)ccc1O ZINC000151179959 371579548 /nfs/dbraw/zinc/57/95/48/371579548.db2.gz UZDRVYDDHSHBOQ-UHFFFAOYSA-N 1 1 290.176 3.336 20 10 CGCDMO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H]1CCCCO1 ZINC000293556834 372411149 /nfs/dbraw/zinc/41/11/49/372411149.db2.gz HQXAPLZKCSXXPE-LKFCYVNXSA-N 1 1 287.762 3.232 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000293676487 372446502 /nfs/dbraw/zinc/44/65/02/372446502.db2.gz QZUVICLQODXWOJ-NHYWBVRUSA-N 1 1 299.773 3.232 20 10 CGCDMO COC[C@@]1(C)CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000294149689 372594896 /nfs/dbraw/zinc/59/48/96/372594896.db2.gz HHVFAXRSKKPIAN-SFHVURJKSA-N 1 1 285.387 3.404 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1C ZINC000294214132 372615948 /nfs/dbraw/zinc/61/59/48/372615948.db2.gz YKHPQESGYKTVMH-QZTJIDSGSA-N 1 1 287.403 3.152 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000294745506 372670847 /nfs/dbraw/zinc/67/08/47/372670847.db2.gz RBJIMLVPYSYPCG-ZFWWWQNUSA-N 1 1 299.773 3.328 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000294745506 372670853 /nfs/dbraw/zinc/67/08/53/372670853.db2.gz RBJIMLVPYSYPCG-ZFWWWQNUSA-N 1 1 299.773 3.328 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)[C@@H](CO)c1ccc(Cl)cc1 ZINC000295075892 372689666 /nfs/dbraw/zinc/68/96/66/372689666.db2.gz PSAYSBTUXMIFRS-HNNXBMFYSA-N 1 1 291.778 3.211 20 10 CGCDMO CCC[N@@H+](CCc1cccnc1)Cc1ccccc1O ZINC000172159450 372916535 /nfs/dbraw/zinc/91/65/35/372916535.db2.gz WFZZQNIYBRBPNS-UHFFFAOYSA-N 1 1 270.376 3.242 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@](C)(F)C2)c1 ZINC000296077168 373014983 /nfs/dbraw/zinc/01/49/83/373014983.db2.gz QGDBQJMARHXZNI-OAHLLOKOSA-N 1 1 267.344 3.115 20 10 CGCDMO Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c(O)c1C ZINC000296288500 373082374 /nfs/dbraw/zinc/08/23/74/373082374.db2.gz FHTTWFPRXMBDFX-WZYMTQMTSA-N 1 1 288.435 3.285 20 10 CGCDMO CC[N@@H+](Cc1cnn(C)c1)Cc1cc(Cl)cc(C)c1O ZINC000179839356 373925716 /nfs/dbraw/zinc/92/57/16/373925716.db2.gz GJCQYWPBOZBEPH-UHFFFAOYSA-N 1 1 293.798 3.110 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2cc(F)ccc2O)cc1 ZINC000179881629 373934642 /nfs/dbraw/zinc/93/46/42/373934642.db2.gz QSMFMZBMNIFYJP-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO CCCO[C@@H]1CCC[N@@H+](Cc2cccc(C)c2O)CC1 ZINC000180180070 373973431 /nfs/dbraw/zinc/97/34/31/373973431.db2.gz YICSNOSZXVGMBS-MRXNPFEDSA-N 1 1 277.408 3.482 20 10 CGCDMO CCCO[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2O)CC1 ZINC000180180322 373974496 /nfs/dbraw/zinc/97/44/96/373974496.db2.gz GTUDULJDGXPJQK-HNNXBMFYSA-N 1 1 293.407 3.182 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000191603785 375644359 /nfs/dbraw/zinc/64/43/59/375644359.db2.gz QRJQCNDNDHHNHI-QMTHXVAHSA-N 1 1 299.773 3.232 20 10 CGCDMO Cc1cccc(C[N@@H+]2CCSCC[C@H]2C)c1O ZINC000191809807 375664712 /nfs/dbraw/zinc/66/47/12/375664712.db2.gz XXLMJERBQHQAIK-GFCCVEGCSA-N 1 1 251.395 3.028 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CCSCC[C@H]2C)c1 ZINC000191812778 375664773 /nfs/dbraw/zinc/66/47/73/375664773.db2.gz MHIJWAZOKLOHMK-GFCCVEGCSA-N 1 1 251.395 3.028 20 10 CGCDMO C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CCOC1 ZINC000271158069 378464531 /nfs/dbraw/zinc/46/45/31/378464531.db2.gz ISBXVZRUENDPKT-QGZVFWFLSA-N 1 1 283.371 3.280 20 10 CGCDMO Oc1ccc(F)cc1C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000272314145 378610872 /nfs/dbraw/zinc/61/08/72/378610872.db2.gz SHFREYKEGXSQSX-UHFFFAOYSA-N 1 1 275.245 3.226 20 10 CGCDMO COCC[C@@H]([NH2+]Cc1cccc(F)c1O)c1ccc(C)o1 ZINC000272667251 378686355 /nfs/dbraw/zinc/68/63/55/378686355.db2.gz SJDBVRNRPGPNIV-CQSZACIVSA-N 1 1 293.338 3.300 20 10 CGCDMO CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2O)CCO1 ZINC000273459228 378748992 /nfs/dbraw/zinc/74/89/92/378748992.db2.gz HSHYXEIULNGATC-DETPVDSQSA-N 1 1 281.371 3.386 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000375620620 379502584 /nfs/dbraw/zinc/50/25/84/379502584.db2.gz XTVPHIRWOSIHBI-QGZVFWFLSA-N 1 1 284.407 3.203 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(F)cc1O ZINC000286141264 380165539 /nfs/dbraw/zinc/16/55/39/380165539.db2.gz OYSCGIQKCIGEQP-YPMHNXCESA-N 1 1 269.385 3.468 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(F)cc1O ZINC000286215129 380177919 /nfs/dbraw/zinc/17/79/19/380177919.db2.gz SETRQCVQLRCDLV-XHDPSFHLSA-N 1 1 281.371 3.387 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(F)cc1O ZINC000286281974 380187590 /nfs/dbraw/zinc/18/75/90/380187590.db2.gz WAONSWMZJWTKSG-UONOGXRCSA-N 1 1 289.354 3.373 20 10 CGCDMO CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2ccc(F)cc2[O-])C1 ZINC000286319102 380194611 /nfs/dbraw/zinc/19/46/11/380194611.db2.gz XNGVNUHWYSTCAO-BBRMVZONSA-N 1 1 294.414 3.304 20 10 CGCDMO C[N@H+](Cc1c(O)ccc2ccccc21)C[C@@H]1CCCOC1 ZINC000107669865 392327975 /nfs/dbraw/zinc/32/79/75/392327975.db2.gz AMNQEMUGTZHYDD-AWEZNQCLSA-N 1 1 285.387 3.404 20 10 CGCDMO COc1c(C)cnc(C[N@@H+](C)Cc2ccccc2O)c1C ZINC000110031328 392375091 /nfs/dbraw/zinc/37/50/91/392375091.db2.gz RRINTCCPZGHNHC-UHFFFAOYSA-N 1 1 286.375 3.045 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)CCC2CCOCC2)cc1C ZINC000121123038 392408538 /nfs/dbraw/zinc/40/85/38/392408538.db2.gz OSCDJXLQFHHEPL-UHFFFAOYSA-N 1 1 277.408 3.258 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](C3CCOCC3)C2)cc1C ZINC000372210366 392593247 /nfs/dbraw/zinc/59/32/47/392593247.db2.gz GKQKWUZPDLCPKR-INIZCTEOSA-N 1 1 289.419 3.258 20 10 CGCDMO OCCC[N@@H+](Cc1ccccc1O)[C@H]1CCc2ccccc21 ZINC000179574991 392705026 /nfs/dbraw/zinc/70/50/26/392705026.db2.gz BMBDRSGCVXPZBB-SFHVURJKSA-N 1 1 297.398 3.264 20 10 CGCDMO Cc1cccc(C[N@@H+](CCCO)Cc2ccccc2)c1O ZINC000271693899 393254262 /nfs/dbraw/zinc/25/42/62/393254262.db2.gz ABQJSXHCCAAWHW-UHFFFAOYSA-N 1 1 285.387 3.085 20 10 CGCDMO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Cl)ccc1O ZINC000273394042 393275551 /nfs/dbraw/zinc/27/55/51/393275551.db2.gz LOBQPZHYMOICDF-NILFDRSVSA-N 1 1 294.826 3.323 20 10 CGCDMO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc(Cl)ccc1O ZINC000273394042 393275554 /nfs/dbraw/zinc/27/55/54/393275554.db2.gz LOBQPZHYMOICDF-NILFDRSVSA-N 1 1 294.826 3.323 20 10 CGCDMO CC(C)OCCCC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000186529582 262316195 /nfs/dbraw/zinc/31/61/95/262316195.db2.gz GGINMOGEELKJCL-LBPRGKRZSA-N 1 1 269.360 3.387 20 10 CGCDMO CCOC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)C(C)C ZINC000189353743 264293022 /nfs/dbraw/zinc/29/30/22/264293022.db2.gz QZCPACVRAQYNMZ-BXUZGUMPSA-N 1 1 269.360 3.243 20 10 CGCDMO COCC[C@@H]1CCCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000368672559 267196572 /nfs/dbraw/zinc/19/65/72/267196572.db2.gz GBHCMIWYMNKZCU-ZDUSSCGKSA-N 1 1 281.371 3.170 20 10 CGCDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2cc(C)ccc2O)no1 ZINC000371397238 267399179 /nfs/dbraw/zinc/39/91/79/267399179.db2.gz YSFVOFRUGRVTQJ-HNNXBMFYSA-N 1 1 272.348 3.334 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1ccc(F)cc1O ZINC000286075556 328249022 /nfs/dbraw/zinc/24/90/22/328249022.db2.gz LGDUKUIYMSEAAE-JKOKRWQUSA-N 1 1 267.344 3.140 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCCO[C@H](C(C)C)C2)c1O ZINC000293868090 327171795 /nfs/dbraw/zinc/17/17/95/327171795.db2.gz CJONZXLMTFPCLS-INIZCTEOSA-N 1 1 293.407 3.038 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186451815 329342710 /nfs/dbraw/zinc/34/27/10/329342710.db2.gz DMFMJDVTTFATPR-IBGZPJMESA-N 1 1 295.382 3.332 20 10 CGCDMO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)s1 ZINC000134907546 334107834 /nfs/dbraw/zinc/10/78/34/334107834.db2.gz KAOXUBTVNFAQOY-GFCCVEGCSA-N 1 1 275.421 3.368 20 10 CGCDMO Cc1cnc([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)s1 ZINC000134912763 334108194 /nfs/dbraw/zinc/10/81/94/334108194.db2.gz IMILHBOWRDGRGI-NSHDSACASA-N 1 1 274.389 3.237 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2C[C@H]3CCCC[C@H]32)c1O ZINC000368241205 518288301 /nfs/dbraw/zinc/28/83/01/518288301.db2.gz KGWUGTCQUKXTCA-IAQYHMDHSA-N 1 1 277.339 3.108 20 10 CGCDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H](C)C(C)C ZINC000278272276 521331333 /nfs/dbraw/zinc/33/13/33/521331333.db2.gz RVCBHTWBDWRIIR-LLVKDONJSA-N 1 1 296.367 3.175 20 10 CGCDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H](C)C(C)C ZINC000278272276 521331339 /nfs/dbraw/zinc/33/13/39/521331339.db2.gz RVCBHTWBDWRIIR-LLVKDONJSA-N 1 1 296.367 3.175 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@H](C)c1cccnc1 ZINC000290661606 521386118 /nfs/dbraw/zinc/38/61/18/521386118.db2.gz ZSHGEIMQAYZIEX-CYBMUJFWSA-N 1 1 256.349 3.370 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccccc1O ZINC000363699230 522752939 /nfs/dbraw/zinc/75/29/39/522752939.db2.gz VYOGBZRGTKTPMN-KBPBESRZSA-N 1 1 271.364 3.234 20 10 CGCDMO CC[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccccc1O ZINC000363699232 522947818 /nfs/dbraw/zinc/94/78/18/522947818.db2.gz VYOGBZRGTKTPMN-KGLIPLIRSA-N 1 1 271.364 3.234 20 10 CGCDMO CN(Cc1c(O)cccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289628817 523156194 /nfs/dbraw/zinc/15/61/94/523156194.db2.gz LVQVPRLYZSCYPV-FUNVUKJBSA-N 1 1 294.826 3.103 20 10 CGCDMO C[C@@H]([NH2+]CCc1cccs1)c1ccc(F)cc1O ZINC000062744899 525464693 /nfs/dbraw/zinc/46/46/93/525464693.db2.gz OHWFPAFTGVBNFA-SNVBAGLBSA-N 1 1 265.353 3.486 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccc(F)cc1O ZINC000290179195 525488164 /nfs/dbraw/zinc/48/81/64/525488164.db2.gz FEOWQZZNYKIHCW-VXGBXAGGSA-N 1 1 287.334 3.358 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1cccnc1 ZINC000062745039 525608321 /nfs/dbraw/zinc/60/83/21/525608321.db2.gz NSVVVCZUSXBFMV-MNOVXSKESA-N 1 1 260.312 3.338 20 10 CGCDMO COc1cccc(CNc2cc(C3CC3)cc[nH+]2)c1O ZINC000289869226 526041922 /nfs/dbraw/zinc/04/19/22/526041922.db2.gz QZWWTLRJXNNWRL-UHFFFAOYSA-N 1 1 270.332 3.285 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000290953958 526346196 /nfs/dbraw/zinc/34/61/96/526346196.db2.gz QXDNEJTWJUDTCK-JKSUJKDBSA-N 1 1 291.366 3.065 20 10 CGCDMO CCOC(=O)CC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000733613893 572591396 /nfs/dbraw/zinc/59/13/96/572591396.db2.gz PIQCDTFTKBNKSE-UHFFFAOYSA-N 1 1 291.391 3.090 20 10 CGCDMO COc1ccc(C[N@@H+](C)[C@H](C)C(C)(C)C)c(O)c1OC ZINC000891671510 618245283 /nfs/dbraw/zinc/24/52/83/618245283.db2.gz PEIPXVOAPPOMKN-LLVKDONJSA-N 1 1 281.396 3.276 20 10 CGCDMO CC[N@@H+](Cc1ccoc1)Cc1ccc(OC)c(OC)c1O ZINC000891902243 618373931 /nfs/dbraw/zinc/37/39/31/618373931.db2.gz RASZPDQNCRTLMO-UHFFFAOYSA-N 1 1 291.347 3.025 20 10 CGCDMO CC[NH+]1CCC(C[NH2+]Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840893214 618933157 /nfs/dbraw/zinc/93/31/57/618933157.db2.gz MBTIWTJBYBQTNQ-UHFFFAOYSA-N 1 1 296.842 3.176 20 10 CGCDMO COc1cccc(O)c1C[NH2+][C@H](C)c1nc(C)cs1 ZINC000892856122 618944457 /nfs/dbraw/zinc/94/44/57/618944457.db2.gz NJMIRUSXOCEJOL-SNVBAGLBSA-N 1 1 278.377 3.017 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000181920778 619029975 /nfs/dbraw/zinc/02/99/75/619029975.db2.gz MOQGGRGKTCNJKN-GOSISDBHSA-N 1 1 297.398 3.144 20 10 CGCDMO CCOC[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1O ZINC000313467436 619173546 /nfs/dbraw/zinc/17/35/46/619173546.db2.gz HDNIBRAJMJBWDZ-HNNXBMFYSA-N 1 1 263.381 3.092 20 10 CGCDMO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000893910248 619330854 /nfs/dbraw/zinc/33/08/54/619330854.db2.gz ZGAUOBYQPREBIX-HNNXBMFYSA-N 1 1 292.329 3.346 20 10 CGCDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000893910248 619330855 /nfs/dbraw/zinc/33/08/55/619330855.db2.gz ZGAUOBYQPREBIX-HNNXBMFYSA-N 1 1 292.329 3.346 20 10 CGCDMO COc1ccc(C[N@H+]2CC[C@H](C3CCC3)C2)c(O)c1OC ZINC000894947278 619685531 /nfs/dbraw/zinc/68/55/31/619685531.db2.gz DWRSMGZPPFLZCJ-ZDUSSCGKSA-N 1 1 291.391 3.031 20 10 CGCDMO CO[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)CC(C)C ZINC000841888314 619815367 /nfs/dbraw/zinc/81/53/67/619815367.db2.gz HSEXNZTZYFVTJE-JTQLQIEISA-N 1 1 289.778 3.335 20 10 CGCDMO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1c(O)cccc1F ZINC000896644480 620040501 /nfs/dbraw/zinc/04/05/01/620040501.db2.gz WPLGVUGZGRURNF-YVEFUNNKSA-N 1 1 289.350 3.397 20 10 CGCDMO CCc1cccc(C[NH2+]Cc2c(O)cccc2F)c1 ZINC000896640175 620041265 /nfs/dbraw/zinc/04/12/65/620041265.db2.gz ZQDSJHNKWXFYCF-UHFFFAOYSA-N 1 1 259.324 3.384 20 10 CGCDMO CC(C)=CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000072952785 625392441 /nfs/dbraw/zinc/39/24/41/625392441.db2.gz IBJKOMVWYPJVQN-MRXNPFEDSA-N 1 1 275.392 3.339 20 10 CGCDMO CC(C)[C@H](CNCc1cc(Cl)ccc1O)[NH+]1CCCC1 ZINC000021510128 620211792 /nfs/dbraw/zinc/21/17/92/620211792.db2.gz MQTAFKJRMVTMNM-HNNXBMFYSA-N 1 1 296.842 3.256 20 10 CGCDMO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2O)[nH]n1 ZINC000841752302 620376545 /nfs/dbraw/zinc/37/65/45/620376545.db2.gz SJUMCOKQHAKFRT-KOLCDFICSA-N 1 1 293.798 3.359 20 10 CGCDMO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2O)n[nH]1 ZINC000841752302 620376553 /nfs/dbraw/zinc/37/65/53/620376553.db2.gz SJUMCOKQHAKFRT-KOLCDFICSA-N 1 1 293.798 3.359 20 10 CGCDMO C[C@@H]([NH2+]CCCOC(F)F)c1ccc(Cl)cc1O ZINC000841753771 620389926 /nfs/dbraw/zinc/38/99/26/620389926.db2.gz VZHFHDJQJXDGET-MRVPVSSYSA-N 1 1 279.714 3.326 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCSC1)c1ccc(Cl)cc1O ZINC000841754086 620391969 /nfs/dbraw/zinc/39/19/69/620391969.db2.gz YTUHLTYCCUWBEA-UWVGGRQHSA-N 1 1 271.813 3.449 20 10 CGCDMO CO[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1O)CC(C)C ZINC000841755615 620399055 /nfs/dbraw/zinc/39/90/55/620399055.db2.gz KJLUZBBLHHKSHV-DGCLKSJQSA-N 1 1 269.360 3.243 20 10 CGCDMO C[C@@H]1CC2(CC([NH2+]Cc3c(O)ccc(Cl)c3F)C2)CO1 ZINC000897779935 620430653 /nfs/dbraw/zinc/43/06/53/620430653.db2.gz SSOBICJKBFLBKD-SBTGLGLWSA-N 1 1 299.773 3.232 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)c1 ZINC000903317610 621688329 /nfs/dbraw/zinc/68/83/29/621688329.db2.gz MMSKWVWBMUYUGY-YODMDTAWSA-N 1 1 289.375 3.018 20 10 CGCDMO C[C@H]([NH2+][C@@H]1COC[C@H]1C)c1cccc(C(F)(F)F)c1O ZINC000903393149 621718366 /nfs/dbraw/zinc/71/83/66/621718366.db2.gz HTDWLGGGCKKLSI-VDDIYKPWSA-N 1 1 289.297 3.097 20 10 CGCDMO C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1cccc(C(F)(F)F)c1O ZINC000903393146 621718527 /nfs/dbraw/zinc/71/85/27/621718527.db2.gz HTDWLGGGCKKLSI-AUTRQRHGSA-N 1 1 289.297 3.097 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H]2CSC)c(O)c1 ZINC000769513511 625572501 /nfs/dbraw/zinc/57/25/01/625572501.db2.gz AYIZYHIDEKVLQN-CYBMUJFWSA-N 1 1 281.421 3.118 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCCC(C)(C)C2)c1O ZINC000156036480 622637468 /nfs/dbraw/zinc/63/74/68/622637468.db2.gz IVNMASVIUQDJNI-UHFFFAOYSA-N 1 1 263.381 3.413 20 10 CGCDMO CCCC[N@@H+](CC)Cc1cc(C)cc(OC)c1O ZINC000163931002 622809256 /nfs/dbraw/zinc/80/92/56/622809256.db2.gz QKHYUVSTCLNREX-UHFFFAOYSA-N 1 1 251.370 3.331 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(C)cc(OC)c2O)CCS1 ZINC000164428926 622834570 /nfs/dbraw/zinc/83/45/70/622834570.db2.gz GQNWSPYBSYVEHC-CYBMUJFWSA-N 1 1 281.421 3.037 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCSC(C)(C)C2)c1 ZINC000164470647 622835952 /nfs/dbraw/zinc/83/59/52/622835952.db2.gz YQSXDDCXTIUWHN-UHFFFAOYSA-N 1 1 265.422 3.336 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCNC[C@@H]2c2ccccc2)cc1C ZINC000841100560 622878061 /nfs/dbraw/zinc/87/80/61/622878061.db2.gz HYTDEKHJSNOXRU-GOSISDBHSA-N 1 1 296.414 3.156 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCNC[C@@H]2c2ccccc2)cc1C ZINC000841100560 622878063 /nfs/dbraw/zinc/87/80/63/622878063.db2.gz HYTDEKHJSNOXRU-GOSISDBHSA-N 1 1 296.414 3.156 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c1O ZINC000228031770 623036813 /nfs/dbraw/zinc/03/68/13/623036813.db2.gz FPYGXRLBWWGRPP-MLGOLLRUSA-N 1 1 291.366 3.498 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1O ZINC000228031770 623036820 /nfs/dbraw/zinc/03/68/20/623036820.db2.gz FPYGXRLBWWGRPP-MLGOLLRUSA-N 1 1 291.366 3.498 20 10 CGCDMO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000229407858 623128307 /nfs/dbraw/zinc/12/83/07/623128307.db2.gz ITVXEIYGMFQZQH-QWHCGFSZSA-N 1 1 273.380 3.461 20 10 CGCDMO CCC[C@H](C)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000179617091 624672593 /nfs/dbraw/zinc/67/25/93/624672593.db2.gz HOAMZUAXBSSQPX-INIZCTEOSA-N 1 1 290.451 3.391 20 10 CGCDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(OC)ccc2O)C1(C)C ZINC000180395394 624745176 /nfs/dbraw/zinc/74/51/76/624745176.db2.gz WQXOXXITFLXUHW-HZPDHXFCSA-N 1 1 293.407 3.036 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C(C)C)C2CCC2)cc1OC ZINC000180400391 624745198 /nfs/dbraw/zinc/74/51/98/624745198.db2.gz NLKKBIOUEUDAJQ-UHFFFAOYSA-N 1 1 279.380 3.172 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)[C@H]2CCCC[C@H]12 ZINC000181404725 624854814 /nfs/dbraw/zinc/85/48/14/624854814.db2.gz DAKBWXDPCQLIFZ-BNOWGMLFSA-N 1 1 289.375 3.131 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@H]2C)c1O ZINC000184702048 625263551 /nfs/dbraw/zinc/26/35/51/625263551.db2.gz PCBPNONWJAXJQQ-NXEZZACHSA-N 1 1 269.772 3.285 20 10 CGCDMO C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000839183105 626327196 /nfs/dbraw/zinc/32/71/96/626327196.db2.gz UAKJNZOLCGDZGL-OAHLLOKOSA-N 1 1 298.430 3.367 20 10 CGCDMO C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000839183105 626327197 /nfs/dbraw/zinc/32/71/97/626327197.db2.gz UAKJNZOLCGDZGL-OAHLLOKOSA-N 1 1 298.430 3.367 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)cc1 ZINC000839193520 626329276 /nfs/dbraw/zinc/32/92/76/626329276.db2.gz VJYPICQMSOLWFC-HOTGVXAUSA-N 1 1 276.449 3.223 20 10 CGCDMO CSCCCC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886530386 626361244 /nfs/dbraw/zinc/36/12/44/626361244.db2.gz IWLHANZMCUGDAI-JTQLQIEISA-N 1 1 257.374 3.325 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)cc1O ZINC000756514509 626711394 /nfs/dbraw/zinc/71/13/94/626711394.db2.gz HWZPJNPHEJJGJA-NSHDSACASA-N 1 1 287.334 3.317 20 10 CGCDMO CCC1(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)CCC1 ZINC000756650648 626724711 /nfs/dbraw/zinc/72/47/11/626724711.db2.gz ZBWAIFLUJGAOHQ-LBPRGKRZSA-N 1 1 291.391 3.410 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2(C(C)C)CC2)c1 ZINC000756748090 626729463 /nfs/dbraw/zinc/72/94/63/626729463.db2.gz WCHLQXAEULLSDM-LBPRGKRZSA-N 1 1 291.391 3.266 20 10 CGCDMO Cc1cc(C[N@H+]2CCO[C@H](C3CCC3)C2)ccc1N(C)C ZINC000839623505 626767542 /nfs/dbraw/zinc/76/75/42/626767542.db2.gz FEGNKZUYLIUEPQ-SFHVURJKSA-N 1 1 288.435 3.062 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](N3CCCC3)[C@@H]2C)c1 ZINC000808193007 627176133 /nfs/dbraw/zinc/17/61/33/627176133.db2.gz TZVMMGOUNUEIQU-RDJZCZTQSA-N 1 1 288.435 3.068 20 10 CGCDMO Cc1cc(C)c(O)c(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000808193007 627176134 /nfs/dbraw/zinc/17/61/34/627176134.db2.gz TZVMMGOUNUEIQU-RDJZCZTQSA-N 1 1 288.435 3.068 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)Cc2ccsc2)c(O)c1 ZINC000768202854 627467795 /nfs/dbraw/zinc/46/77/95/627467795.db2.gz BOMXQXXTUNJVQU-UHFFFAOYSA-N 1 1 277.389 3.484 20 10 CGCDMO CC(C)CC[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000768263031 627471820 /nfs/dbraw/zinc/47/18/20/627471820.db2.gz PENSMAJVQIZSBE-UHFFFAOYSA-N 1 1 252.377 3.370 20 10 CGCDMO CCC[C@@H](C)[N@@H+](C)Cc1cc(OCC)ccc1O ZINC000768340071 627474221 /nfs/dbraw/zinc/47/42/21/627474221.db2.gz ZPFMNVYMOLELHZ-GFCCVEGCSA-N 1 1 251.370 3.411 20 10 CGCDMO CCCC[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@H](C)CC ZINC000768439079 627480143 /nfs/dbraw/zinc/48/01/43/627480143.db2.gz GNDQWMJXMPJTRB-WBMJQRKESA-N 1 1 293.407 3.219 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCCCC[C@H]2C)cc1OC ZINC000768448742 627480323 /nfs/dbraw/zinc/48/03/23/627480323.db2.gz WZINAIRSCPVYLO-GFCCVEGCSA-N 1 1 279.380 3.174 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)cc1 ZINC000768537117 627485549 /nfs/dbraw/zinc/48/55/49/627485549.db2.gz MNGXCONBYSOTOP-GJZGRUSLSA-N 1 1 276.424 3.142 20 10 CGCDMO CC(C)C[C@@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000768543416 627486216 /nfs/dbraw/zinc/48/62/16/627486216.db2.gz JEZSXKMPLAJKQP-MRXNPFEDSA-N 1 1 290.451 3.390 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)Cc2ccoc2)c(O)c1 ZINC000769004093 627515471 /nfs/dbraw/zinc/51/54/71/627515471.db2.gz JBPLAMMBUMSDIO-UHFFFAOYSA-N 1 1 261.321 3.016 20 10 CGCDMO CCC[N@@H+](Cc1c(O)cccc1Cl)CC(C)(C)O ZINC000769326301 627541757 /nfs/dbraw/zinc/54/17/57/627541757.db2.gz IPQVXLTXAGIAFQ-UHFFFAOYSA-N 1 1 271.788 3.029 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)C(C)(C)CC)c(O)c1 ZINC000769382852 627546891 /nfs/dbraw/zinc/54/68/91/627546891.db2.gz YBHYHHHFFGKULL-UHFFFAOYSA-N 1 1 251.370 3.411 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](C)C2)c(O)c1 ZINC000769451576 627554357 /nfs/dbraw/zinc/55/43/57/627554357.db2.gz NFEFUAPHRYPKCV-QWHCGFSZSA-N 1 1 263.381 3.269 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000769483772 627559421 /nfs/dbraw/zinc/55/94/21/627559421.db2.gz IXFJRTJPTJNBIZ-UHFFFAOYSA-N 1 1 284.325 3.447 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CC(C)(C)OC)cc1 ZINC000770331650 627614239 /nfs/dbraw/zinc/61/42/39/627614239.db2.gz ZHERITXHEPPHCQ-UHFFFAOYSA-N 1 1 278.440 3.390 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@@H]1O ZINC000770381258 627616003 /nfs/dbraw/zinc/61/60/03/627616003.db2.gz ORGSIGGZKGJXDE-LIRRHRJNSA-N 1 1 297.398 3.262 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](COC)C2)cc1 ZINC000773756368 627911260 /nfs/dbraw/zinc/91/12/60/627911260.db2.gz KNNDEZVSAAFQDW-MRXNPFEDSA-N 1 1 276.424 3.001 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000773766749 627913883 /nfs/dbraw/zinc/91/38/83/627913883.db2.gz VFLSMDYGVCQCTD-AEFFLSMTSA-N 1 1 288.435 3.144 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000773832090 627917629 /nfs/dbraw/zinc/91/76/29/627917629.db2.gz MSNIZZFWFNDESO-WMZOPIPTSA-N 1 1 290.451 3.126 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@]2(C)CCCO)cc1 ZINC000773825103 627917790 /nfs/dbraw/zinc/91/77/90/627917790.db2.gz WOJKJAGMQHITHH-GOSISDBHSA-N 1 1 290.451 3.270 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCSC[C@H](C)C2)cc1 ZINC000773888692 627924927 /nfs/dbraw/zinc/92/49/27/627924927.db2.gz MATBBEDDGRPGAV-CQSZACIVSA-N 1 1 278.465 3.328 20 10 CGCDMO CCC[C@]1(CO)CCC[N@H+]1Cc1ccc(N(C)CC)cc1 ZINC000773894296 627925989 /nfs/dbraw/zinc/92/59/89/627925989.db2.gz IZILXQBWRUFEDR-GOSISDBHSA-N 1 1 290.451 3.270 20 10 CGCDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2ncc(C3CC3)o2)c1 ZINC000775372181 628086781 /nfs/dbraw/zinc/08/67/81/628086781.db2.gz ZZLATOYGPVSBAD-JTQLQIEISA-N 1 1 288.347 3.117 20 10 CGCDMO COCC[N@H+](Cc1cc(Cl)cc(C)c1O)CC(C)C ZINC000775656648 628120978 /nfs/dbraw/zinc/12/09/78/628120978.db2.gz LRHRXTYMPYPDAU-UHFFFAOYSA-N 1 1 285.815 3.458 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+](C)[C@H]2CCN(C3CC3)C2)c1O ZINC000775680314 628124612 /nfs/dbraw/zinc/12/46/12/628124612.db2.gz AJRDMPLNTNZXDQ-HNNXBMFYSA-N 1 1 294.826 3.023 20 10 CGCDMO Cc1cc(Cl)cc(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)c1O ZINC000775680314 628124614 /nfs/dbraw/zinc/12/46/14/628124614.db2.gz AJRDMPLNTNZXDQ-HNNXBMFYSA-N 1 1 294.826 3.023 20 10 CGCDMO Cc1cc(Cl)cc(CN(C)[C@H]2CC[N@H+](C3CC3)C2)c1O ZINC000775680314 628124617 /nfs/dbraw/zinc/12/46/17/628124617.db2.gz AJRDMPLNTNZXDQ-HNNXBMFYSA-N 1 1 294.826 3.023 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@@H](C3CC3)C2)cc1C(C)C ZINC000776773750 628230954 /nfs/dbraw/zinc/23/09/54/628230954.db2.gz VSVQADZQSCGRTH-GOSISDBHSA-N 1 1 289.419 3.435 20 10 CGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC=CCC2)c1 ZINC000778577764 628358903 /nfs/dbraw/zinc/35/89/03/628358903.db2.gz VTTNFWKTDOKKIC-UHFFFAOYSA-N 1 1 261.365 3.157 20 10 CGCDMO C[N@@H+](Cc1ccc(F)cc1F)Cc1cc(F)ccc1O ZINC000778994813 628381926 /nfs/dbraw/zinc/38/19/26/628381926.db2.gz NHJIOUCNBHGARY-UHFFFAOYSA-N 1 1 281.277 3.442 20 10 CGCDMO C[N@H+](Cc1ccc(F)cc1F)Cc1cc(F)ccc1O ZINC000778994813 628381932 /nfs/dbraw/zinc/38/19/32/628381932.db2.gz NHJIOUCNBHGARY-UHFFFAOYSA-N 1 1 281.277 3.442 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000779188663 628393300 /nfs/dbraw/zinc/39/33/00/628393300.db2.gz WPHMVABUTCMNFH-OAHLLOKOSA-N 1 1 295.810 3.437 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000781930413 628605999 /nfs/dbraw/zinc/60/59/99/628605999.db2.gz WSERUMOJDXJCHE-GUYCJALGSA-N 1 1 275.392 3.413 20 10 CGCDMO CC[N@@H+](CC[C@@H]1CCOC1)Cc1ccc(N(C)C)cc1 ZINC000783506526 628719311 /nfs/dbraw/zinc/71/93/11/628719311.db2.gz LKULOZKKVXHUQS-MRXNPFEDSA-N 1 1 276.424 3.001 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)c1O ZINC000783737018 628743993 /nfs/dbraw/zinc/74/39/93/628743993.db2.gz IDYZGGMERJROPX-DCAQKATOSA-N 1 1 299.798 3.052 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)c1O ZINC000783737018 628743996 /nfs/dbraw/zinc/74/39/96/628743996.db2.gz IDYZGGMERJROPX-DCAQKATOSA-N 1 1 299.798 3.052 20 10 CGCDMO CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(Cl)c1[O-] ZINC000806150072 628930821 /nfs/dbraw/zinc/93/08/21/628930821.db2.gz KSDPAXKJVFRYRN-HNNXBMFYSA-N 1 1 294.826 3.348 20 10 CGCDMO C[C@@H](O)CCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788796288 629082407 /nfs/dbraw/zinc/08/24/07/629082407.db2.gz FBCOTCWYARCWBF-ZJUUUORDSA-N 1 1 291.313 3.223 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CC1CCCC1 ZINC000790950098 629242830 /nfs/dbraw/zinc/24/28/30/629242830.db2.gz VBWPYLKMTFWTKB-UHFFFAOYSA-N 1 1 257.736 3.465 20 10 CGCDMO C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790976847 629245327 /nfs/dbraw/zinc/24/53/27/629245327.db2.gz MYAOVKWAADHXFR-VHSXEESVSA-N 1 1 287.762 3.089 20 10 CGCDMO Cc1cnccc1CC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790983283 629246307 /nfs/dbraw/zinc/24/63/07/629246307.db2.gz PUVNDTUFUMPQHT-UHFFFAOYSA-N 1 1 294.757 3.220 20 10 CGCDMO C[C@H]1C[C@H](C)[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792166871 629342440 /nfs/dbraw/zinc/34/24/40/629342440.db2.gz UVEWYSSFBCZNIK-IUCAKERBSA-N 1 1 257.736 3.415 20 10 CGCDMO C[C@H]1C[C@H](C)[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792166871 629342442 /nfs/dbraw/zinc/34/24/42/629342442.db2.gz UVEWYSSFBCZNIK-IUCAKERBSA-N 1 1 257.736 3.415 20 10 CGCDMO COCC[N@@H+](Cc1c(O)cccc1OC)[C@H]1CC[C@H](C)C1 ZINC000792192996 629346616 /nfs/dbraw/zinc/34/66/16/629346616.db2.gz PHKLYEQMGJBQIM-KBPBESRZSA-N 1 1 293.407 3.038 20 10 CGCDMO COCC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CC[C@@H](C)C1 ZINC000792192128 629347197 /nfs/dbraw/zinc/34/71/97/629347197.db2.gz DMHYNSICWAYVBD-CRAIPNDOSA-N 1 1 290.451 3.390 20 10 CGCDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1c(O)cccc1Br ZINC000862351337 629347413 /nfs/dbraw/zinc/34/74/13/629347413.db2.gz NBYGCIFRJVBLBW-DTORHVGOSA-N 1 1 270.170 3.137 20 10 CGCDMO CC[C@H](C)[N@@H+](CCO)Cc1ccc(N2CCCCC2)cc1 ZINC000862386745 629358535 /nfs/dbraw/zinc/35/85/35/629358535.db2.gz BHYNFYVQONBHPY-INIZCTEOSA-N 1 1 290.451 3.270 20 10 CGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@H]2C2CC2)cc1F ZINC000862385002 629358917 /nfs/dbraw/zinc/35/89/17/629358917.db2.gz NMMGQHVYFVLXHA-AWEZNQCLSA-N 1 1 266.335 3.015 20 10 CGCDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(F)ccc1O ZINC000793231034 629433392 /nfs/dbraw/zinc/43/33/92/629433392.db2.gz JMPKZKMJGYSETK-GZMMTYOYSA-N 1 1 277.261 3.304 20 10 CGCDMO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc3cn[nH]c3c2)c1 ZINC000793569965 629485514 /nfs/dbraw/zinc/48/55/14/629485514.db2.gz OJAGNMFYPRYGEZ-CYBMUJFWSA-N 1 1 295.386 3.470 20 10 CGCDMO COc1cccc2c1C[N@H+](Cc1cc(OC)c(C)cc1O)C2 ZINC000863320818 629533070 /nfs/dbraw/zinc/53/30/70/629533070.db2.gz GTMFDBTUNLFCDS-UHFFFAOYSA-N 1 1 299.370 3.234 20 10 CGCDMO COc1cccc2c1C[N@@H+](Cc1cc(OC)c(C)cc1O)C2 ZINC000863320818 629533077 /nfs/dbraw/zinc/53/30/77/629533077.db2.gz GTMFDBTUNLFCDS-UHFFFAOYSA-N 1 1 299.370 3.234 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1cc2c(cc1O)CCCC2 ZINC000863546682 629603625 /nfs/dbraw/zinc/60/36/25/629603625.db2.gz MVRVIHNMCHEBDS-IOASZLSFSA-N 1 1 288.435 3.062 20 10 CGCDMO Cc1noc([C@@H]2CCC[N@H+]2Cc2cc(C)cc(C)c2O)n1 ZINC000795749529 629713597 /nfs/dbraw/zinc/71/35/97/629713597.db2.gz JENXQLNLMJFGSQ-AWEZNQCLSA-N 1 1 287.363 3.038 20 10 CGCDMO CC(=O)Nc1cccc(CNc2ccc3c(c2)[nH+]cn3C)c1 ZINC000864015644 629727307 /nfs/dbraw/zinc/72/73/07/629727307.db2.gz BHGWWOWRFKPWPS-UHFFFAOYSA-N 1 1 294.358 3.144 20 10 CGCDMO CC[C@H]([NH2+]CCN(CC)C(C)C)c1ccc(F)cc1O ZINC000796746255 629825014 /nfs/dbraw/zinc/82/50/14/629825014.db2.gz RACOYUMUKLMFSC-HNNXBMFYSA-N 1 1 282.403 3.302 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000796787650 629834171 /nfs/dbraw/zinc/83/41/71/629834171.db2.gz OYAZICYZWGQPRT-KYOSRNDESA-N 1 1 280.387 3.055 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000796787650 629834173 /nfs/dbraw/zinc/83/41/73/629834173.db2.gz OYAZICYZWGQPRT-KYOSRNDESA-N 1 1 280.387 3.055 20 10 CGCDMO CC[C@H]([NH2+][C@@H](COC)C(C)C)c1ccc(F)cc1O ZINC000796789533 629835169 /nfs/dbraw/zinc/83/51/69/629835169.db2.gz VFKJXQOGAKPLBE-KBPBESRZSA-N 1 1 269.360 3.243 20 10 CGCDMO CC[C@H]([NH2+]Cc1cccc(F)n1)c1ccc(F)cc1O ZINC000796837681 629844995 /nfs/dbraw/zinc/84/49/95/629844995.db2.gz RAROQRWZTDEEDJ-ZDUSSCGKSA-N 1 1 278.302 3.306 20 10 CGCDMO CC[C@@H]([NH2+]CCOCC1CCC1)c1ccc(F)cc1O ZINC000796940869 629862206 /nfs/dbraw/zinc/86/22/06/629862206.db2.gz JEMDYSDXQHVRPM-OAHLLOKOSA-N 1 1 281.371 3.389 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+]2CC(C)=C[C@H](C)C2)c1 ZINC000797604800 629970297 /nfs/dbraw/zinc/97/02/97/629970297.db2.gz ITGRRRDICWWXOH-LBPRGKRZSA-N 1 1 261.365 3.189 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@H](OC(F)F)C2)c1O ZINC000802658492 630403689 /nfs/dbraw/zinc/40/36/89/630403689.db2.gz FNLMQCLCJUCGAX-NSHDSACASA-N 1 1 291.725 3.168 20 10 CGCDMO COc1ccc2c(c1)OCC[N@H+](Cc1cc(C)ccc1O)C2 ZINC000802659674 630403942 /nfs/dbraw/zinc/40/39/42/630403942.db2.gz RKEZMTPAFPVYQV-UHFFFAOYSA-N 1 1 299.370 3.104 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCCO[C@H](C(C)C)C2)c1 ZINC000840095348 630590879 /nfs/dbraw/zinc/59/08/79/630590879.db2.gz LISKAEURNVFEED-INIZCTEOSA-N 1 1 277.408 3.256 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000840118343 630599777 /nfs/dbraw/zinc/59/97/77/630599777.db2.gz DEZGKOUOOLPEJF-BBWFWOEESA-N 1 1 289.419 3.134 20 10 CGCDMO CCOC1CC([N@@H+](C)Cc2cc(C)c(C)cc2O)C1 ZINC000808214005 630630600 /nfs/dbraw/zinc/63/06/00/630630600.db2.gz WLIAHXXCYYRKPR-UHFFFAOYSA-N 1 1 263.381 3.008 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H](C3CC3)C2)c1O ZINC000808230563 630631377 /nfs/dbraw/zinc/63/13/77/630631377.db2.gz KZFAURIGKKTBAB-AWEZNQCLSA-N 1 1 275.392 3.331 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](C3CC3)C2)c1O ZINC000808778278 630677555 /nfs/dbraw/zinc/67/75/55/630677555.db2.gz QOKPFLJJPXGAQW-ZDUSSCGKSA-N 1 1 291.366 3.356 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](C3CC3)C2)c1O ZINC000808778278 630677556 /nfs/dbraw/zinc/67/75/56/630677556.db2.gz QOKPFLJJPXGAQW-ZDUSSCGKSA-N 1 1 291.366 3.356 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)C1CCC(F)(F)CC1 ZINC000809781783 630806644 /nfs/dbraw/zinc/80/66/44/630806644.db2.gz ALPKTQRSVJIWAW-UHFFFAOYSA-N 1 1 285.334 3.411 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](C3CCC3)C2)cc1OC ZINC000840189937 630820181 /nfs/dbraw/zinc/82/01/81/630820181.db2.gz UGLALWFPFHCMEN-CYBMUJFWSA-N 1 1 291.391 3.031 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@@H](C3CCC3)C2)c(O)cc1C ZINC000840190240 630826991 /nfs/dbraw/zinc/82/69/91/630826991.db2.gz UILIEMIOWZLZGA-CQSZACIVSA-N 1 1 275.392 3.331 20 10 CGCDMO Cc1cc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)no1 ZINC000810219703 630856187 /nfs/dbraw/zinc/85/61/87/630856187.db2.gz VSNIWTSEMCKTBZ-ZDUSSCGKSA-N 1 1 273.380 3.208 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC(C)(C)[C@H]2C2CC2)c(O)c1 ZINC000811513845 631081707 /nfs/dbraw/zinc/08/17/07/631081707.db2.gz SGRUWAUVGAIOCD-MRXNPFEDSA-N 1 1 275.392 3.411 20 10 CGCDMO C[N@H+](Cc1nc(-c2ccccc2)c[nH]1)Cc1ccccc1O ZINC000813331210 631410545 /nfs/dbraw/zinc/41/05/45/631410545.db2.gz GUCDKNRBWOEYOP-UHFFFAOYSA-N 1 1 293.370 3.414 20 10 CGCDMO C[N@@H+](Cc1nc(-c2ccccc2)c[nH]1)Cc1ccccc1O ZINC000813331210 631410546 /nfs/dbraw/zinc/41/05/46/631410546.db2.gz GUCDKNRBWOEYOP-UHFFFAOYSA-N 1 1 293.370 3.414 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CC1CC(F)(F)C1 ZINC000813780706 631461292 /nfs/dbraw/zinc/46/12/92/631461292.db2.gz GPTRQLPBYQQKPK-UHFFFAOYSA-N 1 1 279.689 3.320 20 10 CGCDMO Cc1cc(C[N@@H+](C)Cc2ccoc2)ccc1N(C)C ZINC000815022240 631704587 /nfs/dbraw/zinc/70/45/87/631704587.db2.gz VMHYNDPKFWGEIS-UHFFFAOYSA-N 1 1 258.365 3.286 20 10 CGCDMO Cc1cc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)ccc1N(C)C ZINC000815023825 631705412 /nfs/dbraw/zinc/70/54/12/631705412.db2.gz JRLHZOZXXWHANA-AWEZNQCLSA-N 1 1 276.424 3.060 20 10 CGCDMO CCC[N@@H+](Cc1ccc(N(C)C)c(C)c1)CC(C)(C)O ZINC000815037354 631705910 /nfs/dbraw/zinc/70/59/10/631705910.db2.gz IXJXVRWOJOTQCW-UHFFFAOYSA-N 1 1 278.440 3.044 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cc1 ZINC000815102642 631717329 /nfs/dbraw/zinc/71/73/29/631717329.db2.gz LDLHZHOHEDMIPK-KBXCAEBGSA-N 1 1 288.435 3.142 20 10 CGCDMO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)ccc1N(C)C ZINC000815102211 631717517 /nfs/dbraw/zinc/71/75/17/631717517.db2.gz HEPMETZQIIASQG-RDTXWAMCSA-N 1 1 288.435 3.060 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)ccc1N(C)C ZINC000815113406 631719820 /nfs/dbraw/zinc/71/98/20/631719820.db2.gz ALHKFBZJAXQUHV-MSOLQXFVSA-N 1 1 288.435 3.204 20 10 CGCDMO Cc1cc(C[N@H+]2CCCCC[C@H]2CCO)ccc1N(C)C ZINC000815114374 631719966 /nfs/dbraw/zinc/71/99/66/631719966.db2.gz PTMYXJOVKGPUTQ-KRWDZBQOSA-N 1 1 290.451 3.188 20 10 CGCDMO C[C@H]1C[NH+](Cc2cc(Cl)c(F)cc2O)C[C@@H]1C ZINC000816513174 631999535 /nfs/dbraw/zinc/99/95/35/631999535.db2.gz IRXLRDMGNWSJTC-IUCAKERBSA-N 1 1 257.736 3.273 20 10 CGCDMO CC1(C)C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])CCCO1 ZINC000816514096 632000786 /nfs/dbraw/zinc/00/07/86/632000786.db2.gz LXYMTUAVYXETBM-UHFFFAOYSA-N 1 1 287.762 3.186 20 10 CGCDMO CC1(C)C[N@H+](Cc2cc(Cl)c(F)cc2O)CCCO1 ZINC000816514096 632000787 /nfs/dbraw/zinc/00/07/87/632000787.db2.gz LXYMTUAVYXETBM-UHFFFAOYSA-N 1 1 287.762 3.186 20 10 CGCDMO C[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)[C@H]1C ZINC000816519991 632002806 /nfs/dbraw/zinc/00/28/06/632002806.db2.gz CBKIAPARQRZDEF-IUCAKERBSA-N 1 1 257.736 3.415 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)[C@H]1C ZINC000816519991 632002811 /nfs/dbraw/zinc/00/28/11/632002811.db2.gz CBKIAPARQRZDEF-IUCAKERBSA-N 1 1 257.736 3.415 20 10 CGCDMO C[N@H+](Cc1ccc2ccccc2c1O)C[C@H]1CCOC1 ZINC000816519047 632003392 /nfs/dbraw/zinc/00/33/92/632003392.db2.gz WNQJDUINJUTRLF-CYBMUJFWSA-N 1 1 271.360 3.014 20 10 CGCDMO Cc1noc(C)c1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816539718 632005948 /nfs/dbraw/zinc/00/59/48/632005948.db2.gz QOZMPYFJZDVGOW-UHFFFAOYSA-N 1 1 284.718 3.079 20 10 CGCDMO C[C@H]1CSCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816591844 632018880 /nfs/dbraw/zinc/01/88/80/632018880.db2.gz PMXCBSKHRMPDDM-SECBINFHSA-N 1 1 289.803 3.370 20 10 CGCDMO C[C@H]1CSCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816591844 632018885 /nfs/dbraw/zinc/01/88/85/632018885.db2.gz PMXCBSKHRMPDDM-SECBINFHSA-N 1 1 289.803 3.370 20 10 CGCDMO CCC(O)(CC)CC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816590205 632019411 /nfs/dbraw/zinc/01/94/11/632019411.db2.gz TULYTLKMVIAMDS-UHFFFAOYSA-N 1 1 289.778 3.216 20 10 CGCDMO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816599623 632022056 /nfs/dbraw/zinc/02/20/56/632022056.db2.gz SVESNIUZYJVFSX-JSGCOSHPSA-N 1 1 287.762 3.232 20 10 CGCDMO Cc1ccccc1[C@H](C)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938291 632239713 /nfs/dbraw/zinc/23/97/13/632239713.db2.gz IIMNJBXDQSZODJ-KXBFYZLASA-N 1 1 297.446 3.412 20 10 CGCDMO CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817944566 632241878 /nfs/dbraw/zinc/24/18/78/632241878.db2.gz HAXOFCJCKMEDGQ-BXKDBHETSA-N 1 1 289.206 3.102 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCCCN1)c1cc2c(cc1O)CCCC2 ZINC000817949896 632246712 /nfs/dbraw/zinc/24/67/12/632246712.db2.gz OUWNPXKGBLDDKS-CJNGLKHVSA-N 1 1 288.435 3.064 20 10 CGCDMO CC[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(F)cc1O ZINC000817958119 632253022 /nfs/dbraw/zinc/25/30/22/632253022.db2.gz SFGZDHJZLZUFHD-INIZCTEOSA-N 1 1 288.366 3.397 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000817971796 632264564 /nfs/dbraw/zinc/26/45/64/632264564.db2.gz QDIKJXCJENJBIL-OSMZGAPFSA-N 1 1 282.815 3.227 20 10 CGCDMO C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cc(Cl)ccc1[O-] ZINC000817980340 632270043 /nfs/dbraw/zinc/27/00/43/632270043.db2.gz KWLGRQDUGIQQOC-WCQYABFASA-N 1 1 282.815 3.228 20 10 CGCDMO CC[C@@H](N)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000817978497 632270546 /nfs/dbraw/zinc/27/05/46/632270546.db2.gz BWFVRDMDMPEVTC-AEFFLSMTSA-N 1 1 298.430 3.393 20 10 CGCDMO F[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000824570692 633260815 /nfs/dbraw/zinc/26/08/15/633260815.db2.gz DSNCIOSBYMWMDE-OAHLLOKOSA-N 1 1 262.372 3.221 20 10 CGCDMO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(N(CC)CC)cc1 ZINC000824636862 633266165 /nfs/dbraw/zinc/26/61/65/633266165.db2.gz UNWGFVYIQJSVCP-AEFFLSMTSA-N 1 1 290.451 3.126 20 10 CGCDMO Oc1c(Br)cccc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000824650985 633268554 /nfs/dbraw/zinc/26/85/54/633268554.db2.gz RPKPIVHJRJFBQY-GFCCVEGCSA-N 1 1 282.181 3.139 20 10 CGCDMO Oc1c(Br)cccc1C[N@H+]1CC[C@@H]1C1CC1 ZINC000824650985 633268556 /nfs/dbraw/zinc/26/85/56/633268556.db2.gz RPKPIVHJRJFBQY-GFCCVEGCSA-N 1 1 282.181 3.139 20 10 CGCDMO CC[C@](C)(C[NH2+]Cc1cc(Cl)c(F)cc1O)OC ZINC000824743436 633281544 /nfs/dbraw/zinc/28/15/44/633281544.db2.gz BXDIWPDGLWDHPY-CYBMUJFWSA-N 1 1 275.751 3.089 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)C[C@@H]1C ZINC000824815360 633294184 /nfs/dbraw/zinc/29/41/84/633294184.db2.gz MPLARILMGAUTQO-FZMZJTMJSA-N 1 1 283.799 3.211 20 10 CGCDMO COc1ccc2c(c1)C[N@H+](Cc1cccc(C)c1O)CCO2 ZINC000824908619 633304141 /nfs/dbraw/zinc/30/41/41/633304141.db2.gz AHKOOZLYBZOPGC-UHFFFAOYSA-N 1 1 299.370 3.104 20 10 CGCDMO CCOc1ccc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c(O)c1 ZINC000824941149 633309230 /nfs/dbraw/zinc/30/92/30/633309230.db2.gz JSRPWJGGZBDIKI-SJLPKXTDSA-N 1 1 287.403 3.411 20 10 CGCDMO COc1cccc2c1C[N@@H+](Cc1cccc(C)c1O)CC2 ZINC000824982441 633313553 /nfs/dbraw/zinc/31/35/53/633313553.db2.gz FRYOAZRHGBGPAS-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO COCC[N@@H+](Cc1ccc(C)cc1O)C1CCCC1 ZINC000876601794 634865532 /nfs/dbraw/zinc/86/55/32/634865532.db2.gz XZCSCTGUNGLNHC-UHFFFAOYSA-N 1 1 263.381 3.092 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1C ZINC000825134317 633331819 /nfs/dbraw/zinc/33/18/19/633331819.db2.gz YDXZFXJVHNXXPY-QGZVFWFLSA-N 1 1 275.392 3.012 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@]3(CCSC3)C2)cc1 ZINC000825215479 633336048 /nfs/dbraw/zinc/33/60/48/633336048.db2.gz PLCYUBXFVJKFES-QGZVFWFLSA-N 1 1 290.476 3.472 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)CCc2ccccn2)cc1Cl ZINC000825501140 633358559 /nfs/dbraw/zinc/35/85/59/633358559.db2.gz LJWDFOHHJZXTOG-UHFFFAOYSA-N 1 1 290.794 3.424 20 10 CGCDMO Cc1[nH+]cc(CN(C)c2ccc(OC(C)C)cc2)n1C ZINC000825697657 633375164 /nfs/dbraw/zinc/37/51/64/633375164.db2.gz ILPAVEYPVVJZHL-UHFFFAOYSA-N 1 1 273.380 3.152 20 10 CGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000825737672 633379566 /nfs/dbraw/zinc/37/95/66/633379566.db2.gz CZWKUWYPYNQGER-HNNXBMFYSA-N 1 1 283.799 3.355 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1O)C(F)F ZINC000826029270 633399106 /nfs/dbraw/zinc/39/91/06/633399106.db2.gz BUUPLJQBKDXYJQ-SNVBAGLBSA-N 1 1 263.715 3.487 20 10 CGCDMO Oc1cc(Br)ccc1C[N@H+]1CC[C@@H]1C1CC1 ZINC000826043189 633400717 /nfs/dbraw/zinc/40/07/17/633400717.db2.gz FRERHKCQBCILKD-GFCCVEGCSA-N 1 1 282.181 3.139 20 10 CGCDMO Oc1c(C[N@H+]2CC[C@H]3C[C@H]3C2)ccc2ccccc21 ZINC000827506776 633495459 /nfs/dbraw/zinc/49/54/59/633495459.db2.gz LTLFNSPSDOTGLQ-ZFWWWQNUSA-N 1 1 253.345 3.387 20 10 CGCDMO Cc1cc(C[N@H+](C)CC[C@H](C)O)ccc1N1CCCCC1 ZINC000827893827 633530959 /nfs/dbraw/zinc/53/09/59/633530959.db2.gz IVAYFRQUPZPGJQ-INIZCTEOSA-N 1 1 290.451 3.188 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCCc3n[nH]cc3C2)c1O ZINC000828013772 633547867 /nfs/dbraw/zinc/54/78/67/633547867.db2.gz KERFALJPLGWGRY-UHFFFAOYSA-N 1 1 291.782 3.026 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)cc1C ZINC000828013843 633548403 /nfs/dbraw/zinc/54/84/03/633548403.db2.gz LYIMRICEVJGDDO-UHFFFAOYSA-N 1 1 299.418 3.317 20 10 CGCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2csc(Cl)n2)c1 ZINC000828681794 633642347 /nfs/dbraw/zinc/64/23/47/633642347.db2.gz GUQAGDBPCVICTR-MRVPVSSYSA-N 1 1 298.795 3.362 20 10 CGCDMO CC1CCN(c2ccc(C[NH2+]Cc3ccon3)cc2)CC1 ZINC000873048323 634237240 /nfs/dbraw/zinc/23/72/40/634237240.db2.gz WTBYTXJOQLLMBL-UHFFFAOYSA-N 1 1 285.391 3.201 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)CC(C)(C)O)c1ccc(F)cc1O ZINC000834877094 634263017 /nfs/dbraw/zinc/26/30/17/634263017.db2.gz XWFQUFWTRFLKNZ-MFKMUULPSA-N 1 1 269.360 3.122 20 10 CGCDMO CC[C@H]([NH2+]CC1(CF)CCOCC1)c1ccc(F)cc1O ZINC000834886922 634267487 /nfs/dbraw/zinc/26/74/87/634267487.db2.gz WKHYXTTYPJTHIL-AWEZNQCLSA-N 1 1 299.361 3.338 20 10 CGCDMO CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000873223576 634291867 /nfs/dbraw/zinc/29/18/67/634291867.db2.gz OCPRNLQCFKLGDR-INIZCTEOSA-N 1 1 296.842 3.243 20 10 CGCDMO CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000873223576 634291873 /nfs/dbraw/zinc/29/18/73/634291873.db2.gz OCPRNLQCFKLGDR-INIZCTEOSA-N 1 1 296.842 3.243 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)C1CC[NH2+]CC1 ZINC000873269489 634312978 /nfs/dbraw/zinc/31/29/78/634312978.db2.gz QFMSDPLIWLAOIY-JTNHKYCSSA-N 1 1 292.398 3.057 20 10 CGCDMO C[C@H]1CSCC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835027762 634325589 /nfs/dbraw/zinc/32/55/89/634325589.db2.gz GTOKHHUFOOCBCQ-NNTXTVRGSA-N 1 1 276.449 3.203 20 10 CGCDMO CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)C[C@@H]1CCOC1 ZINC000835026234 634325805 /nfs/dbraw/zinc/32/58/05/634325805.db2.gz SMAFOAWAQPZWKB-OSJSJHBBSA-N 1 1 288.435 3.124 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000835047448 634334078 /nfs/dbraw/zinc/33/40/78/634334078.db2.gz HQQAMRJFZIBYTQ-MAVJXHJTSA-N 1 1 296.418 3.326 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000835047448 634334084 /nfs/dbraw/zinc/33/40/84/634334084.db2.gz HQQAMRJFZIBYTQ-MAVJXHJTSA-N 1 1 296.418 3.326 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)Cc2ccncc2)cc1 ZINC000835047285 634334264 /nfs/dbraw/zinc/33/42/64/634334264.db2.gz FSIJSBIQZLFRTH-SNAWJCMRSA-N 1 1 281.403 3.293 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000835047450 634334459 /nfs/dbraw/zinc/33/44/59/634334459.db2.gz HQQAMRJFZIBYTQ-RCFWFJCLSA-N 1 1 296.418 3.326 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000835047450 634334463 /nfs/dbraw/zinc/33/44/63/634334463.db2.gz HQQAMRJFZIBYTQ-RCFWFJCLSA-N 1 1 296.418 3.326 20 10 CGCDMO Cc1ccc(C[N@H+]2CCc3ccc(O)cc3CC2)c(O)c1 ZINC000876651945 634875210 /nfs/dbraw/zinc/87/52/10/634875210.db2.gz DDBATORPYWZGFT-UHFFFAOYSA-N 1 1 283.371 3.007 20 10 CGCDMO CC[N@@H+](CCC(F)(F)F)Cc1c(C)cccc1O ZINC000876657409 634876912 /nfs/dbraw/zinc/87/69/12/634876912.db2.gz NBQAYZVHIVIJHG-UHFFFAOYSA-N 1 1 261.287 3.475 20 10 CGCDMO Cc1ccc(C[N@@H+](C)Cc2nc3ccccc3n2C)c(O)c1 ZINC000876730029 634888574 /nfs/dbraw/zinc/88/85/74/634888574.db2.gz AONVGMVTHGSHIE-UHFFFAOYSA-N 1 1 295.386 3.219 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2nc3ccccc3n2C)c(O)c1 ZINC000876730029 634888576 /nfs/dbraw/zinc/88/85/76/634888576.db2.gz AONVGMVTHGSHIE-UHFFFAOYSA-N 1 1 295.386 3.219 20 10 CGCDMO CCN1CC[C@@H]([N@H+](C)Cc2c(C)cccc2O)C[C@H]1C ZINC000876759706 634894354 /nfs/dbraw/zinc/89/43/54/634894354.db2.gz QOUGAPIIHRHZAM-HUUCEWRRSA-N 1 1 276.424 3.005 20 10 CGCDMO CCN1CC[C@@H]([N@@H+](C)Cc2c(C)cccc2O)C[C@H]1C ZINC000876759706 634894357 /nfs/dbraw/zinc/89/43/57/634894357.db2.gz QOUGAPIIHRHZAM-HUUCEWRRSA-N 1 1 276.424 3.005 20 10 CGCDMO Cc1ccc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)c(O)c1 ZINC000876778939 634898255 /nfs/dbraw/zinc/89/82/55/634898255.db2.gz SNQRILQFDAPHRM-MRXNPFEDSA-N 1 1 289.400 3.336 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c(O)c1 ZINC000877538827 635078046 /nfs/dbraw/zinc/07/80/46/635078046.db2.gz HGGCCICQLKMVIX-NSHDSACASA-N 1 1 255.308 3.178 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2cccn2C)c(Cl)c1 ZINC000840918545 635082856 /nfs/dbraw/zinc/08/28/56/635082856.db2.gz VPMLRUFXQIMRBX-UHFFFAOYSA-N 1 1 278.783 3.325 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)Cc2cccn2C)c(Cl)c1 ZINC000840918545 635082861 /nfs/dbraw/zinc/08/28/61/635082861.db2.gz VPMLRUFXQIMRBX-UHFFFAOYSA-N 1 1 278.783 3.325 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000840919466 635083070 /nfs/dbraw/zinc/08/30/70/635083070.db2.gz GTMLNJBELJOWEI-FUHWJXTLSA-N 1 1 288.435 3.062 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@]1(C)CCCO ZINC000840949102 635090791 /nfs/dbraw/zinc/09/07/91/635090791.db2.gz QMZRETOXLSPVIO-GOSISDBHSA-N 1 1 290.451 3.188 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000840950892 635091368 /nfs/dbraw/zinc/09/13/68/635091368.db2.gz QFRPGYNRJQJHQD-SFHVURJKSA-N 1 1 288.435 3.064 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@H](C3CCC3)C2)c1O ZINC000840979020 635098834 /nfs/dbraw/zinc/09/88/34/635098834.db2.gz UROIBVGMZVHPPC-ZDUSSCGKSA-N 1 1 261.365 3.023 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000877575488 635099569 /nfs/dbraw/zinc/09/95/69/635099569.db2.gz WHEBJKXTFSAHKF-MRXNPFEDSA-N 1 1 277.433 3.420 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c(O)c1 ZINC000877585642 635102259 /nfs/dbraw/zinc/10/22/59/635102259.db2.gz KZYPPFQHXTVNGN-DLBZAZTESA-N 1 1 289.419 3.074 20 10 CGCDMO Cc1cccc(O)c1C[N@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000877599040 635106893 /nfs/dbraw/zinc/10/68/93/635106893.db2.gz ORCCZCAFRFCIKU-GOSISDBHSA-N 1 1 285.387 3.040 20 10 CGCDMO CCC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C(C)C ZINC000877616922 635114839 /nfs/dbraw/zinc/11/48/39/635114839.db2.gz IQGNTQAHJHLSFN-UHFFFAOYSA-N 1 1 290.451 3.268 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)c(O)c1 ZINC000877618559 635116051 /nfs/dbraw/zinc/11/60/51/635116051.db2.gz YRFQBIUGDXRHEN-MRXNPFEDSA-N 1 1 275.392 3.234 20 10 CGCDMO COCc1cccc(C[N@H+]2Cc3cccc(O)c3C2)c1 ZINC000877703119 635155180 /nfs/dbraw/zinc/15/51/80/635155180.db2.gz SAQOACPWNADPIC-UHFFFAOYSA-N 1 1 269.344 3.054 20 10 CGCDMO CC[C@@H](O)CCC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841747404 635223832 /nfs/dbraw/zinc/22/38/32/635223832.db2.gz ASOJBCWYMCYUQT-ZYHUDNBSSA-N 1 1 271.788 3.247 20 10 CGCDMO C[C@@H]([NH2+]CC1(CCO)CCC1)c1ccc(Cl)cc1O ZINC000841751937 635225221 /nfs/dbraw/zinc/22/52/21/635225221.db2.gz OWDHSDRZPDCXMA-LLVKDONJSA-N 1 1 283.799 3.249 20 10 CGCDMO C[C@H]([NH2+]CC(C)(C)CCO)c1ccc(Cl)cc1O ZINC000841753999 635227567 /nfs/dbraw/zinc/22/75/67/635227567.db2.gz GYKZUGRAZDMTFR-JTQLQIEISA-N 1 1 271.788 3.105 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1ccc(Cl)cc1O ZINC000841755489 635230059 /nfs/dbraw/zinc/23/00/59/635230059.db2.gz QFPYAVZWLLBHOP-DMDPSCGWSA-N 1 1 283.799 3.247 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1O ZINC000841757321 635231824 /nfs/dbraw/zinc/23/18/24/635231824.db2.gz NHFYAXAGDPEZHM-GYSYKLTISA-N 1 1 283.799 3.247 20 10 CGCDMO C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)c1ccc(Cl)cc1O ZINC000841758101 635231977 /nfs/dbraw/zinc/23/19/77/635231977.db2.gz SCJMWWGQRJNTRY-SNVBAGLBSA-N 1 1 285.815 3.493 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000842613186 635418129 /nfs/dbraw/zinc/41/81/29/635418129.db2.gz WOLCDBQTFTYMRJ-RDJZCZTQSA-N 1 1 289.419 3.400 20 10 CGCDMO CCc1ccc([C@@H]2CNCC[N@@H+]2Cc2ccccc2O)cc1 ZINC000843118573 635561060 /nfs/dbraw/zinc/56/10/60/635561060.db2.gz MQMHOVVCJINLDQ-SFHVURJKSA-N 1 1 296.414 3.101 20 10 CGCDMO CCc1ccc([C@@H]2CNCC[N@H+]2Cc2ccccc2O)cc1 ZINC000843118573 635561064 /nfs/dbraw/zinc/56/10/64/635561064.db2.gz MQMHOVVCJINLDQ-SFHVURJKSA-N 1 1 296.414 3.101 20 10 CGCDMO [NH3+]CCC[N@H+](Cc1cccc(Cl)c1[O-])CC1CCCC1 ZINC000843122403 635561216 /nfs/dbraw/zinc/56/12/16/635561216.db2.gz BZGXFCHPJZCOQI-UHFFFAOYSA-N 1 1 296.842 3.387 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC000843420024 635664896 /nfs/dbraw/zinc/66/48/96/635664896.db2.gz YXQQKVNISQVKMV-HNNXBMFYSA-N 1 1 268.360 3.085 20 10 CGCDMO COc1c(O)c(C[N@H+](C)CCC(C)(C)C)ccc1[N+](=O)[O-] ZINC000843425453 635670140 /nfs/dbraw/zinc/67/01/40/635670140.db2.gz ORDGKXVOZJVYLU-UHFFFAOYSA-N 1 1 296.367 3.177 20 10 CGCDMO COc1c(O)c(C[N@@H+](C)CCC(C)(C)C)ccc1[N+](=O)[O-] ZINC000843425453 635670144 /nfs/dbraw/zinc/67/01/44/635670144.db2.gz ORDGKXVOZJVYLU-UHFFFAOYSA-N 1 1 296.367 3.177 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000844441635 635903242 /nfs/dbraw/zinc/90/32/42/635903242.db2.gz PXXREBYPDLYSQW-HNNXBMFYSA-N 1 1 280.362 3.374 20 10 CGCDMO CN1CCC[C@H]1C[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000211291234 636068075 /nfs/dbraw/zinc/06/80/75/636068075.db2.gz DBQZSMHYKRJWKR-HNNXBMFYSA-N 1 1 284.403 3.071 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000846107530 636144718 /nfs/dbraw/zinc/14/47/18/636144718.db2.gz IYLVDOUFFXLUBP-CYBMUJFWSA-N 1 1 253.292 3.013 20 10 CGCDMO Cc1nc(C)c(CC[NH2+]Cc2cc(F)cc(F)c2O)s1 ZINC000882990006 636492708 /nfs/dbraw/zinc/49/27/08/636492708.db2.gz RQZORFYLDRFBPH-UHFFFAOYSA-N 1 1 298.358 3.076 20 10 CGCDMO CC(C)(C[NH2+]Cc1cc(F)cc(F)c1O)C(F)(F)F ZINC000883112326 636544449 /nfs/dbraw/zinc/54/44/49/636544449.db2.gz IYQJTMUIVHJSTA-UHFFFAOYSA-N 1 1 283.240 3.349 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H](C1CC1)[C@H]1CCCCO1 ZINC000883161047 636559855 /nfs/dbraw/zinc/55/98/55/636559855.db2.gz IREGCVHFNRXUTQ-CABCVRRESA-N 1 1 297.345 3.108 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000883161048 636560181 /nfs/dbraw/zinc/56/01/81/636560181.db2.gz IREGCVHFNRXUTQ-GJZGRUSLSA-N 1 1 297.345 3.108 20 10 CGCDMO Cc1ncc([C@@H](C)[NH2+]Cc2cc(F)cc(F)c2O)s1 ZINC000883193783 636576916 /nfs/dbraw/zinc/57/69/16/636576916.db2.gz FQCGIMBTONJTTQ-SSDOTTSWSA-N 1 1 284.331 3.286 20 10 CGCDMO C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1O)C(=O)OC(C)(C)C ZINC000848562345 636607428 /nfs/dbraw/zinc/60/74/28/636607428.db2.gz IBHVEJPSBPPSIW-GHMZBOCLSA-N 1 1 297.370 3.160 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1O ZINC000848888454 636675670 /nfs/dbraw/zinc/67/56/70/636675670.db2.gz BGEIJYFOAQASIW-WBVHZDCISA-N 1 1 289.419 3.203 20 10 CGCDMO CCc1cccc(C[N@@H+](C)[C@@H]2CCN(CC)[C@@H](C)C2)c1O ZINC000848888156 636676111 /nfs/dbraw/zinc/67/61/11/636676111.db2.gz NOHDNERIJXNLDD-WMLDXEAASA-N 1 1 290.451 3.259 20 10 CGCDMO CCc1cccc(C[N@H+](C)[C@@H]2CCN(CC)[C@@H](C)C2)c1O ZINC000848888156 636676115 /nfs/dbraw/zinc/67/61/15/636676115.db2.gz NOHDNERIJXNLDD-WMLDXEAASA-N 1 1 290.451 3.259 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@H]2c2cn(C)nc2C)c1O ZINC000848890862 636678057 /nfs/dbraw/zinc/67/80/57/636678057.db2.gz UYGDGCPVHMCADQ-KRWDZBQOSA-N 1 1 299.418 3.334 20 10 CGCDMO CCc1cccc(C[N@H+]2CCCC[C@@H]2C[C@H](C)O)c1O ZINC000848907612 636685398 /nfs/dbraw/zinc/68/53/98/636685398.db2.gz GAVFNMQXGGHMKN-XJKSGUPXSA-N 1 1 277.408 3.080 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@](CO)(C(C)C)C2)c1O ZINC000848913636 636687353 /nfs/dbraw/zinc/68/73/53/636687353.db2.gz CXEIOXQJJPXNLF-GOSISDBHSA-N 1 1 291.435 3.185 20 10 CGCDMO CCc1cccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1O ZINC000848916103 636690012 /nfs/dbraw/zinc/69/00/12/636690012.db2.gz CQZAUMWCBWQLIB-ZWKOTPCHSA-N 1 1 297.398 3.263 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH2+]C2CC=CC2)c1 ZINC000134751146 637036251 /nfs/dbraw/zinc/03/62/51/637036251.db2.gz VYMJBWKDKJVDEB-UHFFFAOYSA-N 1 1 282.181 3.271 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@]2(C)CC2(C)C)c1 ZINC000850556452 637120633 /nfs/dbraw/zinc/12/06/33/637120633.db2.gz QEQHAQOEVLXYQZ-QLJPJBMISA-N 1 1 277.364 3.018 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cc(F)cc(F)c1O ZINC000850571072 637128960 /nfs/dbraw/zinc/12/89/60/637128960.db2.gz MBSFTEYGAIQDCW-UWVGGRQHSA-N 1 1 285.334 3.136 20 10 CGCDMO CC[C@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)CCS1 ZINC000135835429 637190621 /nfs/dbraw/zinc/19/06/21/637190621.db2.gz ADCPILFIDFVIIP-ZDUSSCGKSA-N 1 1 297.395 3.061 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)CCS1 ZINC000135835429 637190623 /nfs/dbraw/zinc/19/06/23/637190623.db2.gz ADCPILFIDFVIIP-ZDUSSCGKSA-N 1 1 297.395 3.061 20 10 CGCDMO Cc1cc(C)n(CCC[NH2+][C@@H](C)c2c(O)cccc2F)n1 ZINC000886491474 637539919 /nfs/dbraw/zinc/53/99/19/637539919.db2.gz FSWXJQQGCGTJJL-ZDUSSCGKSA-N 1 1 291.370 3.086 20 10 CGCDMO CC(C)COCCC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886493355 637541153 /nfs/dbraw/zinc/54/11/53/637541153.db2.gz GFSGTZVYDMENRQ-LBPRGKRZSA-N 1 1 269.360 3.245 20 10 CGCDMO Cc1ccccc1[C@H](O)C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886526258 637552737 /nfs/dbraw/zinc/55/27/37/637552737.db2.gz IFJDZEUSXNTFOY-MLGOLLRUSA-N 1 1 289.350 3.224 20 10 CGCDMO CSCC[C@@H](C)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886530251 637556182 /nfs/dbraw/zinc/55/61/82/637556182.db2.gz HASVMIZVKMUCCH-ZJUUUORDSA-N 1 1 257.374 3.324 20 10 CGCDMO Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886535032 637560121 /nfs/dbraw/zinc/56/01/21/637560121.db2.gz TXFCTEFPOMCLKZ-WFASDCNBSA-N 1 1 289.350 3.224 20 10 CGCDMO C[C@H](C[NH2+][C@H](C)c1c(O)cccc1F)c1nccs1 ZINC000886590379 637595336 /nfs/dbraw/zinc/59/53/36/637595336.db2.gz UIBUXPKHMLCREN-NXEZZACHSA-N 1 1 280.368 3.442 20 10 CGCDMO C[C@H](C[NH2+][C@H](C)c1c(O)cccc1F)C(=O)OC(C)(C)C ZINC000886633551 637620089 /nfs/dbraw/zinc/62/00/89/637620089.db2.gz YMROKWFDFBTBAX-GHMZBOCLSA-N 1 1 297.370 3.160 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1c(O)cccc1F ZINC000886636140 637621383 /nfs/dbraw/zinc/62/13/83/637621383.db2.gz GPZDJSXNBABEQF-VXGBXAGGSA-N 1 1 280.387 3.055 20 10 CGCDMO C[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1c(O)cccc1F ZINC000886637639 637623120 /nfs/dbraw/zinc/62/31/20/637623120.db2.gz BCLDOFBRILSYJX-JMPLFQLZSA-N 1 1 287.334 3.360 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)CC2=CCSC2)cc1 ZINC000852747695 637705444 /nfs/dbraw/zinc/70/54/44/637705444.db2.gz UHTWBYBQYWGBJV-UHFFFAOYSA-N 1 1 276.449 3.248 20 10 CGCDMO Cc1cc(C[N@H+]2CCC3(COC3)C2)c(O)c(C(C)(C)C)c1 ZINC000853595512 637871251 /nfs/dbraw/zinc/87/12/51/637871251.db2.gz QPLKIDSSECOQKX-UHFFFAOYSA-N 1 1 289.419 3.220 20 10 CGCDMO COC[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000112961105 638140064 /nfs/dbraw/zinc/14/00/64/638140064.db2.gz XLRMPANEOHKRFL-CQSZACIVSA-N 1 1 285.387 3.404 20 10 CGCDMO Cc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)ccn1 ZINC000856717910 638375964 /nfs/dbraw/zinc/37/59/64/638375964.db2.gz JGPSXKJZXPVHHZ-UHFFFAOYSA-N 1 1 269.392 3.088 20 10 CGCDMO CN(C)c1cc(F)c(C[NH2+]Cc2ccccc2F)cc1F ZINC000858087527 638623208 /nfs/dbraw/zinc/62/32/08/638623208.db2.gz OSXFLLGEOBTCCM-UHFFFAOYSA-N 1 1 294.320 3.460 20 10 CGCDMO Oc1ccccc1C[N@@H+](CCOC1CC1)C1CCCC1 ZINC000929636935 638936303 /nfs/dbraw/zinc/93/63/03/638936303.db2.gz ZFBZAMVIAIMUIE-UHFFFAOYSA-N 1 1 275.392 3.316 20 10 CGCDMO CC[C@@H](C)[N@@H+](CC)Cc1ccc(N2CCOCC2)cc1 ZINC000930925305 639087151 /nfs/dbraw/zinc/08/71/51/639087151.db2.gz XKCCYOLULYGSND-OAHLLOKOSA-N 1 1 276.424 3.144 20 10 CGCDMO C[C@@H]([NH2+]Cc1cccc(F)c1O)c1cccc(O)c1 ZINC000158715989 640016174 /nfs/dbraw/zinc/01/61/74/640016174.db2.gz UPMRGDXNWMGUDQ-SNVBAGLBSA-N 1 1 261.296 3.088 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H]1CC[C@H](C)O1 ZINC000188543313 640140746 /nfs/dbraw/zinc/14/07/46/640140746.db2.gz CIAVHKPQWHLXQF-ZFWWWQNUSA-N 1 1 263.381 3.172 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCS[C@H](C)CC2)c1O ZINC000191665320 640327117 /nfs/dbraw/zinc/32/71/17/640327117.db2.gz FZDYVPGFVNUIKS-GFCCVEGCSA-N 1 1 281.421 3.037 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCSC[C@@H](C)C2)cc1C ZINC000192180769 640355409 /nfs/dbraw/zinc/35/54/09/640355409.db2.gz XRQOIDYZYMFFIO-NSHDSACASA-N 1 1 265.422 3.194 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2cccnc2)cc1C ZINC000192501135 640375435 /nfs/dbraw/zinc/37/54/35/640375435.db2.gz YIDKEROZBYUPDS-UHFFFAOYSA-N 1 1 256.349 3.036 20 10 CGCDMO CCC[N@H+](Cc1nc(C(C)C)no1)Cc1ccccc1O ZINC000195156240 640568247 /nfs/dbraw/zinc/56/82/47/640568247.db2.gz ZZGXNVWBEPCKSB-UHFFFAOYSA-N 1 1 289.379 3.311 20 10 CGCDMO CCC[N@@H+](Cc1nc(C(C)C)no1)Cc1ccccc1O ZINC000195156240 640568254 /nfs/dbraw/zinc/56/82/54/640568254.db2.gz ZZGXNVWBEPCKSB-UHFFFAOYSA-N 1 1 289.379 3.311 20 10 CGCDMO CC(C)C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000092008973 640729414 /nfs/dbraw/zinc/72/94/14/640729414.db2.gz LNZPDEHMGKGAGJ-UHFFFAOYSA-N 1 1 288.435 3.144 20 10 CGCDMO CC[N@@H+](Cc1ccoc1)Cc1cccc(OC)c1O ZINC000092935916 640751838 /nfs/dbraw/zinc/75/18/38/640751838.db2.gz PTTIQHZHIMBWAE-UHFFFAOYSA-N 1 1 261.321 3.016 20 10 CGCDMO COc1cccc(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)c1O ZINC000248373379 640754039 /nfs/dbraw/zinc/75/40/39/640754039.db2.gz IKNXBNLLDLGTSI-AEGPPILISA-N 1 1 275.392 3.411 20 10 CGCDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cc(Cl)ccc1O ZINC000093660027 640778032 /nfs/dbraw/zinc/77/80/32/640778032.db2.gz VKZHZKHJRNAEMN-HNNXBMFYSA-N 1 1 296.842 3.352 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@@H+]1CCOCC12CCCC2 ZINC000093840613 640782388 /nfs/dbraw/zinc/78/23/88/640782388.db2.gz VVCFQGFKJLQGNB-UHFFFAOYSA-N 1 1 281.783 3.191 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCOCC12CCCC2 ZINC000093840613 640782392 /nfs/dbraw/zinc/78/23/92/640782392.db2.gz VVCFQGFKJLQGNB-UHFFFAOYSA-N 1 1 281.783 3.191 20 10 CGCDMO CC(C)[C@@H](CN[C@@H](C)c1cc(F)ccc1O)[NH+]1CCCC1 ZINC000094616991 640798549 /nfs/dbraw/zinc/79/85/49/640798549.db2.gz IBENWGNNOZDNBN-XJKSGUPXSA-N 1 1 294.414 3.302 20 10 CGCDMO CC[C@H]1COCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000096810779 640839416 /nfs/dbraw/zinc/83/94/16/640839416.db2.gz AIGDOQQUVNUNEB-AWEZNQCLSA-N 1 1 271.360 3.156 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000156104302 799064922 /nfs/dbraw/zinc/06/49/22/799064922.db2.gz IHQZWQHABIWALY-PHIMTYICSA-N 1 1 251.757 3.278 20 10 CGCDMO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)[C@@H](C)CO1 ZINC000403810485 799572228 /nfs/dbraw/zinc/57/22/28/799572228.db2.gz JOUHZPZPHUOJLI-GXFFZTMASA-N 1 1 299.798 3.054 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2O)[C@@H](C)CO1 ZINC000403810485 799572233 /nfs/dbraw/zinc/57/22/33/799572233.db2.gz JOUHZPZPHUOJLI-GXFFZTMASA-N 1 1 299.798 3.054 20 10 CGCDMO CCc1cccc(C[NH2+][C@H]2CCCC2(F)F)c1O ZINC000691479768 799785491 /nfs/dbraw/zinc/78/54/91/799785491.db2.gz HQULVIIKNHXKQD-LBPRGKRZSA-N 1 1 255.308 3.232 20 10 CGCDMO C[C@@H]([NH2+]CCSCC(F)(F)F)c1ccc(F)cc1O ZINC000698951618 799857626 /nfs/dbraw/zinc/85/76/26/799857626.db2.gz DKFOINMJSXLKRB-MRVPVSSYSA-N 1 1 297.317 3.477 20 10 CGCDMO CCC[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1O)OCC ZINC000705312113 799946676 /nfs/dbraw/zinc/94/66/76/799946676.db2.gz RZKLFHCEBUIIDU-YPMHNXCESA-N 1 1 269.360 3.387 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000708388078 799986271 /nfs/dbraw/zinc/98/62/71/799986271.db2.gz GSZUNTNLZNADEZ-JTQLQIEISA-N 1 1 277.261 3.338 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CCCC12CC2 ZINC000708410382 799989049 /nfs/dbraw/zinc/98/90/49/799989049.db2.gz YBJYDAQHZGSKBU-LBPRGKRZSA-N 1 1 253.292 3.093 20 10 CGCDMO COCC(C)(C)CC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000718795222 800224019 /nfs/dbraw/zinc/22/40/19/800224019.db2.gz PLARGYIOKBKWEK-LLVKDONJSA-N 1 1 269.360 3.245 20 10 CGCDMO C[C@H]([NH2+]CCc1nccs1)c1cc(F)cc(F)c1O ZINC000756507773 800380626 /nfs/dbraw/zinc/38/06/26/800380626.db2.gz FEYIUILPGNYGFJ-QMMMGPOBSA-N 1 1 284.331 3.020 20 10 CGCDMO Cc1ncccc1C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886643078 800545704 /nfs/dbraw/zinc/54/57/04/800545704.db2.gz KQQLZHFYSHCSNY-LLVKDONJSA-N 1 1 260.312 3.086 20 10 CGCDMO COC(C)(C)[C@@H](C)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC000932369921 800659140 /nfs/dbraw/zinc/65/91/40/800659140.db2.gz OIVFSBXRDHITGW-SNVBAGLBSA-N 1 1 299.798 3.151 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)[C@@H]1CC[C@@H](SC)C1 ZINC001116444859 802351441 /nfs/dbraw/zinc/35/14/41/802351441.db2.gz BQLNLJNJGCGKQT-VXGBXAGGSA-N 1 1 281.421 3.117 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(N)cc2)C[C@H](c2ccccc2)O1 ZINC001120370840 802742255 /nfs/dbraw/zinc/74/22/55/802742255.db2.gz HFCZNANCPHISME-KBXCAEBGSA-N 1 1 282.387 3.231 20 10 CGCDMO CCc1ccc([C@@H]2C[N@@H+](Cc3ccc(N)cc3)CCO2)cc1 ZINC001120371157 802742507 /nfs/dbraw/zinc/74/25/07/802742507.db2.gz SPAHVHZTOKVMOC-IBGZPJMESA-N 1 1 296.414 3.405 20 10 CGCDMO CC[N@@H+](Cc1ccc2c(c1)COC2)Cc1ccccc1O ZINC001137028679 803673494 /nfs/dbraw/zinc/67/34/94/803673494.db2.gz ZRDPBVWPIBNUOB-UHFFFAOYSA-N 1 1 283.371 3.445 20 10 CGCDMO Cc1cc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)c(C)n1-c1ccccc1 ZINC001137859131 803788221 /nfs/dbraw/zinc/78/82/21/803788221.db2.gz KABYFAHGAHWYIL-QFBILLFUSA-N 1 1 296.414 3.315 20 10 CGCDMO [O-]c1c(F)cccc1C[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001138124076 803864254 /nfs/dbraw/zinc/86/42/54/803864254.db2.gz YBQAVERHTTXPAZ-KOLCDFICSA-N 1 1 271.282 3.008 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001138124076 803864263 /nfs/dbraw/zinc/86/42/63/803864263.db2.gz YBQAVERHTTXPAZ-KOLCDFICSA-N 1 1 271.282 3.008 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001138124076 803864269 /nfs/dbraw/zinc/86/42/69/803864269.db2.gz YBQAVERHTTXPAZ-KOLCDFICSA-N 1 1 271.282 3.008 20 10 CGCDMO Cc1c(C[N@H+]2CCC[C@H](O)[C@@H](C)C2)c2ccccc2n1C ZINC001138252300 803879235 /nfs/dbraw/zinc/87/92/35/803879235.db2.gz AWECDGUSRMTCES-UGSOOPFHSA-N 1 1 286.419 3.080 20 10 CGCDMO Cc1c(CN2CCC[N@H+]3CCC[C@H]3C2)c2ccccc2n1C ZINC001138256627 803882854 /nfs/dbraw/zinc/88/28/54/803882854.db2.gz CYWPLMYHWQNKLG-INIZCTEOSA-N 1 1 297.446 3.157 20 10 CGCDMO Cc1c(C[NH+]2CC(OC(C)C)C2)c2ccccc2n1C ZINC001138259334 803884752 /nfs/dbraw/zinc/88/47/52/803884752.db2.gz GICQBTMKRWXDIU-UHFFFAOYSA-N 1 1 272.392 3.096 20 10 CGCDMO Cc1c(C[N@@H+]2CC[C@@H](OC(C)C)C2)c2ccccc2n1C ZINC001138258716 803885050 /nfs/dbraw/zinc/88/50/50/803885050.db2.gz ZHAJLHXVYJKTKX-OAHLLOKOSA-N 1 1 286.419 3.486 20 10 CGCDMO CC[N@@H+](Cc1cc2c3c(c1O)CCCN3CCC2)C1CC1 ZINC001138338137 803898919 /nfs/dbraw/zinc/89/89/19/803898919.db2.gz KNRZCFOZVAITGW-UHFFFAOYSA-N 1 1 286.419 3.075 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CCc4ccncc4C3)ccc21 ZINC001138356501 803900400 /nfs/dbraw/zinc/90/04/00/803900400.db2.gz PMZOPANBNGYNBO-UHFFFAOYSA-N 1 1 293.414 3.022 20 10 CGCDMO CC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138355787 803901512 /nfs/dbraw/zinc/90/15/12/803901512.db2.gz CTZYVZDRSPDTHS-QGZVFWFLSA-N 1 1 286.419 3.013 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCCN3C)C2(CC2)C1 ZINC001138358889 803902708 /nfs/dbraw/zinc/90/27/08/803902708.db2.gz DJEXWUFSJSLRMO-CQSZACIVSA-N 1 1 270.420 3.443 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccccc2O)s1 ZINC001138493698 803951327 /nfs/dbraw/zinc/95/13/27/803951327.db2.gz ULBDERBJNGBPLF-UHFFFAOYSA-N 1 1 276.405 3.152 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)ccc1N(C)C ZINC001139669660 804246377 /nfs/dbraw/zinc/24/63/77/804246377.db2.gz GDDJTRGONZQMEV-AEFFLSMTSA-N 1 1 288.435 3.062 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@@](C)(CF)C2)ccc1N(C)C ZINC001139670132 804247003 /nfs/dbraw/zinc/24/70/03/804247003.db2.gz XJVJFUTZUMOELF-INIZCTEOSA-N 1 1 264.388 3.243 20 10 CGCDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N(C)C)c(C)c1 ZINC001139674147 804247948 /nfs/dbraw/zinc/24/79/48/804247948.db2.gz RDFPHLVPOJLIQE-SJPCQFCGSA-N 1 1 288.435 3.203 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001140054946 804361931 /nfs/dbraw/zinc/36/19/31/804361931.db2.gz AVDQBCLSIHQTKF-INIZCTEOSA-N 1 1 286.350 3.133 20 10 CGCDMO COc1cccc(CC[N@@H+](C)Cc2cc(F)ccc2O)c1 ZINC001140054980 804363001 /nfs/dbraw/zinc/36/30/01/804363001.db2.gz BZBHQXZTMOQHTH-UHFFFAOYSA-N 1 1 289.350 3.214 20 10 CGCDMO Oc1ccc(F)cc1C[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001140063158 804368953 /nfs/dbraw/zinc/36/89/53/804368953.db2.gz LSPHODVLJAKKFX-PHIMTYICSA-N 1 1 271.282 3.008 20 10 CGCDMO Oc1cccc(Br)c1C[N@@H+]1CCC[C@@H]1CF ZINC001140102730 804376680 /nfs/dbraw/zinc/37/66/80/804376680.db2.gz XZWPGPLKGCFINC-SECBINFHSA-N 1 1 288.160 3.089 20 10 CGCDMO Oc1cccc(Br)c1C[N@H+]1CCC[C@@H]1CF ZINC001140102730 804376689 /nfs/dbraw/zinc/37/66/89/804376689.db2.gz XZWPGPLKGCFINC-SECBINFHSA-N 1 1 288.160 3.089 20 10 CGCDMO CC1(C)C[N@@H+](Cc2c(O)cccc2Cl)[C@@](C)(CO)C1 ZINC001140337840 804418337 /nfs/dbraw/zinc/41/83/37/804418337.db2.gz IWFAZAVBOPPWFY-OAHLLOKOSA-N 1 1 283.799 3.029 20 10 CGCDMO C[N@@H+](Cc1c(O)cccc1Cl)C1CC(F)(F)C1 ZINC001140337954 804418793 /nfs/dbraw/zinc/41/87/93/804418793.db2.gz OORLIWHWLBRJCD-UHFFFAOYSA-N 1 1 261.699 3.275 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cccnc2)c(O)c1 ZINC001140851488 804533165 /nfs/dbraw/zinc/53/31/65/804533165.db2.gz JSSSMUJRYROYNJ-UHFFFAOYSA-N 1 1 299.418 3.265 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C)C2)c(O)c1 ZINC001140850109 804533329 /nfs/dbraw/zinc/53/33/29/804533329.db2.gz DUAIKTXEODVRIB-CYBMUJFWSA-N 1 1 262.397 3.080 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@H]2COCc2ccccc2)c(O)c1 ZINC001140950225 804557590 /nfs/dbraw/zinc/55/75/90/804557590.db2.gz WDMFHTOFLIBQNG-SFHVURJKSA-N 1 1 297.398 3.492 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@@H](Oc3cccc(C)n3)C2)c(O)c1 ZINC001140954101 804558013 /nfs/dbraw/zinc/55/80/13/804558013.db2.gz LOWCCWNHXDFWHC-MRXNPFEDSA-N 1 1 298.386 3.057 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ccncc3)C2)c(O)c1 ZINC001140953552 804558650 /nfs/dbraw/zinc/55/86/50/804558650.db2.gz BFRHLJMILXQJOP-QGZVFWFLSA-N 1 1 298.386 3.139 20 10 CGCDMO COc1cccc2c1CC[N@@H+](Cc1ccc(C)cc1O)C2 ZINC001140954700 804558855 /nfs/dbraw/zinc/55/88/55/804558855.db2.gz WUZXRFHDQSNXNO-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO Cc1ccc(C[NH+]2CC(OCc3ccccc3)C2)c(O)c1 ZINC001140950256 804558913 /nfs/dbraw/zinc/55/89/13/804558913.db2.gz XKJBQLXLENXNDG-UHFFFAOYSA-N 1 1 283.371 3.102 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c(O)c1 ZINC001140957729 804558928 /nfs/dbraw/zinc/55/89/28/804558928.db2.gz LSPMTXPSWZFKRB-UHFFFAOYSA-N 1 1 284.403 3.399 20 10 CGCDMO CCCC[N@@H+](CCC)Cc1c(O)cc(OC)cc1OC ZINC001141027017 804573605 /nfs/dbraw/zinc/57/36/05/804573605.db2.gz KGKHUOWAQMFUQG-UHFFFAOYSA-N 1 1 281.396 3.422 20 10 CGCDMO CN1CCOc2cc(C[N@H+]3CCC[C@H]4CCC[C@@H]43)ccc21 ZINC001141143523 804596644 /nfs/dbraw/zinc/59/66/44/804596644.db2.gz CHSKSPFUKXVADO-CVEARBPZSA-N 1 1 286.419 3.280 20 10 CGCDMO CC(C)OC1CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142524881 804732142 /nfs/dbraw/zinc/73/21/42/804732142.db2.gz OKDZDXZLNCMDAS-UHFFFAOYSA-N 1 1 285.334 3.060 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cc3cccnc3[nH]2)cc1 ZINC001143229588 804824075 /nfs/dbraw/zinc/82/40/75/804824075.db2.gz WQUKZWYEKUJIGM-UHFFFAOYSA-N 1 1 294.402 3.261 20 10 CGCDMO CC[N@H+](Cc1cc(C)sn1)Cc1ccccc1O ZINC001249588661 805183785 /nfs/dbraw/zinc/18/37/85/805183785.db2.gz LPGXGLPXPLDFHW-UHFFFAOYSA-N 1 1 262.378 3.179 20 10 CGCDMO CC[N@@H+](Cc1cc(C)sn1)Cc1ccccc1O ZINC001249588661 805183790 /nfs/dbraw/zinc/18/37/90/805183790.db2.gz LPGXGLPXPLDFHW-UHFFFAOYSA-N 1 1 262.378 3.179 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@@H]3C[C@@H]32)c(O)cc1Br ZINC001250133659 805434589 /nfs/dbraw/zinc/43/45/89/805434589.db2.gz NPGJVXPDIKDSBR-MFKMUULPSA-N 1 1 296.208 3.447 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@@H]1Cc2ccc(OC)cc2C1 ZINC001168284828 807373615 /nfs/dbraw/zinc/37/36/15/807373615.db2.gz WKTBTAGIDJLFPI-QGZVFWFLSA-N 1 1 297.398 3.390 20 10 CGCDMO C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C)c1ccc(N(C)C)cc1 ZINC001169107181 807578888 /nfs/dbraw/zinc/57/88/88/807578888.db2.gz FUZOZNOMSOANAN-PLYYQAHHSA-N 1 1 287.451 3.028 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(Cl)c1 ZINC001261366866 807739716 /nfs/dbraw/zinc/73/97/16/807739716.db2.gz IIHBQQIVEBGMQS-WBMJQRKESA-N 1 1 295.810 3.355 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](CF)C1)CCCC2 ZINC001262052654 807815331 /nfs/dbraw/zinc/81/53/31/807815331.db2.gz BXEKMVVWQQCCBC-LBPRGKRZSA-N 1 1 263.356 3.062 20 10 CGCDMO COc1cccc(F)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001262366899 807858142 /nfs/dbraw/zinc/85/81/42/807858142.db2.gz AJYBDNSYSPCRKD-UHFFFAOYSA-N 1 1 287.334 3.059 20 10 CGCDMO Nc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC001262487205 807867680 /nfs/dbraw/zinc/86/76/80/807867680.db2.gz NMVBBNYYFYJSLK-INIZCTEOSA-N 1 1 253.349 3.001 20 10 CGCDMO Cc1ccc(C[N@H+](Cc2ccc(N)cc2)CC2CC2)cn1 ZINC001262487975 807868373 /nfs/dbraw/zinc/86/83/73/807868373.db2.gz MBOABPSSZXCDAC-UHFFFAOYSA-N 1 1 281.403 3.384 20 10 CGCDMO CC(C)OCC[C@@H](C)[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001172456255 808326741 /nfs/dbraw/zinc/32/67/41/808326741.db2.gz NBRCZHPTTPRDSM-CYBMUJFWSA-N 1 1 293.407 3.050 20 10 CGCDMO C[C@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CC(C)(C)O1 ZINC001180039093 809968980 /nfs/dbraw/zinc/96/89/80/809968980.db2.gz LHKHVBGYPRNPRB-LFAOLKIESA-N 1 1 288.435 3.265 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCOCC2(C)C)c1 ZINC001181399098 810050783 /nfs/dbraw/zinc/05/07/83/810050783.db2.gz GTWBSEBCFNHYCA-UHFFFAOYSA-N 1 1 263.381 3.126 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC001181870250 810077658 /nfs/dbraw/zinc/07/76/58/810077658.db2.gz MQXNLMSCICHNNG-LRDDRELGSA-N 1 1 279.330 3.291 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC001181870250 810077662 /nfs/dbraw/zinc/07/76/62/810077662.db2.gz MQXNLMSCICHNNG-LRDDRELGSA-N 1 1 279.330 3.291 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]Cc1ccc2cnccc2c1 ZINC001183920322 810169568 /nfs/dbraw/zinc/16/95/68/810169568.db2.gz WXDLGDAPYALZKB-UHFFFAOYSA-N 1 1 282.318 3.369 20 10 CGCDMO COC1(C[NH2+]Cc2cc(F)c(F)cc2O)CCCCCC1 ZINC001184217355 810183008 /nfs/dbraw/zinc/18/30/08/810183008.db2.gz FIKWJQPYTCQVRW-UHFFFAOYSA-N 1 1 299.361 3.499 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@H]3[C@@H](C2)C3(F)F)ccc1N(C)C ZINC001192387260 810792784 /nfs/dbraw/zinc/79/27/84/810792784.db2.gz BIHJBJMEJUMMAF-UONOGXRCSA-N 1 1 280.362 3.148 20 10 CGCDMO CCC[N@@H+](C)Cc1c(Br)ccc(OC)c1O ZINC001231548517 818123669 /nfs/dbraw/zinc/12/36/69/818123669.db2.gz UKKALNDSDDCNAU-UHFFFAOYSA-N 1 1 288.185 3.005 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001203556417 812390038 /nfs/dbraw/zinc/39/00/38/812390038.db2.gz PJTLBRWYBHMVOL-INIZCTEOSA-N 1 1 287.334 3.185 20 10 CGCDMO C[C@@H]1C(=O)CC[N@@H+](Cc2ccccc2O)C12CCCC2 ZINC001203562059 812394005 /nfs/dbraw/zinc/39/40/05/812394005.db2.gz CJNCLEMLWBBMRI-CYBMUJFWSA-N 1 1 273.376 3.116 20 10 CGCDMO COc1ccc(C[N@H+]2CC[C@H](C)C(F)(F)CC2)c(O)c1 ZINC001203621433 812409114 /nfs/dbraw/zinc/40/91/14/812409114.db2.gz TXXHNXNHKWUUIE-NSHDSACASA-N 1 1 285.334 3.268 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2cc(Cl)ccc2O)cn1 ZINC001203664713 812422514 /nfs/dbraw/zinc/42/25/14/812422514.db2.gz RCPFSUHNWWRLAP-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C2(CC2)C1 ZINC001203664434 812423023 /nfs/dbraw/zinc/42/30/23/812423023.db2.gz FEWWSCKHWCNDCO-JTQLQIEISA-N 1 1 251.757 3.420 20 10 CGCDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203880524 812477800 /nfs/dbraw/zinc/47/78/00/812477800.db2.gz UZGZXRMFIUXJFS-GFCCVEGCSA-N 1 1 269.344 3.045 20 10 CGCDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874190 812478481 /nfs/dbraw/zinc/47/84/81/812478481.db2.gz SHXHPZDWLSKKNS-AWEZNQCLSA-N 1 1 299.370 3.096 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2Cc3ccc(F)cc3C2)cc1 ZINC001203934296 812495672 /nfs/dbraw/zinc/49/56/72/812495672.db2.gz PFFINOJRLGQSBR-UHFFFAOYSA-N 1 1 270.351 3.408 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2Cc3ccc(F)cc3C2)cc1 ZINC001203934296 812495677 /nfs/dbraw/zinc/49/56/77/812495677.db2.gz PFFINOJRLGQSBR-UHFFFAOYSA-N 1 1 270.351 3.408 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCCC3(COC3)C2)cc1 ZINC001203940636 812497482 /nfs/dbraw/zinc/49/74/82/812497482.db2.gz SDRJMRSVELHQSJ-UHFFFAOYSA-N 1 1 288.435 3.145 20 10 CGCDMO Cc1ccc(C[N@H+]2CCc3cccc(O)c3C2)s1 ZINC001204033605 812526971 /nfs/dbraw/zinc/52/69/71/812526971.db2.gz KLJJRINMXKLDTK-UHFFFAOYSA-N 1 1 259.374 3.320 20 10 CGCDMO CCOc1ccc(N2CC[NH+](Cc3ccoc3)CC2)cc1 ZINC001204244631 812585770 /nfs/dbraw/zinc/58/57/70/812585770.db2.gz OMBDYKCOWVICED-UHFFFAOYSA-N 1 1 286.375 3.001 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC001204333287 812616764 /nfs/dbraw/zinc/61/67/64/812616764.db2.gz ARWLZDGYFSMVTJ-GXTWGEPZSA-N 1 1 281.783 3.047 20 10 CGCDMO Cc1c(F)cccc1C[N@H+](C)Cc1ccccc1O ZINC001204510317 812661796 /nfs/dbraw/zinc/66/17/96/812661796.db2.gz LBMKSKVWRKPKLT-UHFFFAOYSA-N 1 1 259.324 3.472 20 10 CGCDMO CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CN)c(O)c1 ZINC001204932271 812782218 /nfs/dbraw/zinc/78/22/18/812782218.db2.gz IUKBZAZVMAWLSD-OAHLLOKOSA-N 1 1 276.424 3.003 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CCCC[C@@H]2CN)c(O)c1 ZINC001204932271 812782225 /nfs/dbraw/zinc/78/22/25/812782225.db2.gz IUKBZAZVMAWLSD-OAHLLOKOSA-N 1 1 276.424 3.003 20 10 CGCDMO C[C@@H]1CC[C@H](CN)[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001205831197 813101954 /nfs/dbraw/zinc/10/19/54/813101954.db2.gz WUMKLOWILQRCPT-UKRRQHHQSA-N 1 1 290.451 3.249 20 10 CGCDMO C[C@@H]1CC[C@H](CN)[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001205831197 813101957 /nfs/dbraw/zinc/10/19/57/813101957.db2.gz WUMKLOWILQRCPT-UKRRQHHQSA-N 1 1 290.451 3.249 20 10 CGCDMO CC[C@H]([NH2+]Cc1cccc(F)c1O)[C@H]1CC1(C)C ZINC001206335482 813294185 /nfs/dbraw/zinc/29/41/85/813294185.db2.gz HOIHNZSANOXYBT-YPMHNXCESA-N 1 1 251.345 3.446 20 10 CGCDMO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1ccc(Cl)cc1O ZINC001207768100 813648814 /nfs/dbraw/zinc/64/88/14/813648814.db2.gz BHZAGGRMIJUTAN-ZWNOBZJWSA-N 1 1 251.757 3.490 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)CC1(C)CCOCC1 ZINC001208076140 813688269 /nfs/dbraw/zinc/68/82/69/813688269.db2.gz DSBIUBZJZUZWLX-UHFFFAOYSA-N 1 1 263.381 3.031 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)CC1(C)CCOCC1 ZINC001208079909 813688900 /nfs/dbraw/zinc/68/89/00/813688900.db2.gz YDNCCKUQFJGSDX-UHFFFAOYSA-N 1 1 290.451 3.391 20 10 CGCDMO CC[N@@H+](CC[C@H](C)SC)Cc1ccccc1O ZINC001208152420 813710546 /nfs/dbraw/zinc/71/05/46/813710546.db2.gz HFDKONDQRBWPNP-LBPRGKRZSA-N 1 1 253.411 3.356 20 10 CGCDMO O=C1CCC[N@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC001231586392 818129324 /nfs/dbraw/zinc/12/93/24/818129324.db2.gz GPIGMAUFPBHZII-UHFFFAOYSA-N 1 1 269.344 3.100 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@@](CF)(C(F)(F)F)C2)c1O ZINC001231591029 818131187 /nfs/dbraw/zinc/13/11/87/818131187.db2.gz QIZOYZHIMCHTQM-ZDUSSCGKSA-N 1 1 291.288 3.425 20 10 CGCDMO COc1cccc(CC[N@@H+](C)Cc2cccc(C)c2O)c1 ZINC001231593357 818131277 /nfs/dbraw/zinc/13/12/77/818131277.db2.gz VCWXBKHKZZLHDE-UHFFFAOYSA-N 1 1 285.387 3.384 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c(O)cc1O ZINC001231634324 818143996 /nfs/dbraw/zinc/14/39/96/818143996.db2.gz LHFVYYPDFKWQHA-CQSZACIVSA-N 1 1 299.370 3.096 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)c(O)c1 ZINC001231843014 818185820 /nfs/dbraw/zinc/18/58/20/818185820.db2.gz SCTGKEVDBJRNTE-GOEBONIOSA-N 1 1 287.403 3.343 20 10 CGCDMO CO[C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(C)cc(C)cc3O)C[C@@H]21 ZINC001231845870 818187040 /nfs/dbraw/zinc/18/70/40/818187040.db2.gz RYWYOSGSJNJVAZ-UWWQBHOKSA-N 1 1 289.419 3.256 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@H](Oc3cccnc3)C2)c(O)c1 ZINC001231845979 818187096 /nfs/dbraw/zinc/18/70/96/818187096.db2.gz WQSDGMNTTTZOQW-INIZCTEOSA-N 1 1 298.386 3.057 20 10 CGCDMO Cc1cc(C)c(C[N@@H+](C)Cc2ccc(C)nc2)c(O)c1 ZINC001231847912 818187831 /nfs/dbraw/zinc/18/78/31/818187831.db2.gz FRSKOSKRBRXMIJ-UHFFFAOYSA-N 1 1 270.376 3.344 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@](C)(F)C1 ZINC001231849716 818188579 /nfs/dbraw/zinc/18/85/79/818188579.db2.gz XGVVYVWREOJMNH-KRWDZBQOSA-N 1 1 294.414 3.475 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H]1C(C)C ZINC001231855673 818190653 /nfs/dbraw/zinc/19/06/53/818190653.db2.gz YLKQRGVNKRBERX-MRXNPFEDSA-N 1 1 276.424 3.382 20 10 CGCDMO CCCC[N@@H+](CC)Cc1cc(Cl)c(O)cc1O ZINC001232257439 818295443 /nfs/dbraw/zinc/29/54/43/818295443.db2.gz CNFHVSBSNCSAEF-UHFFFAOYSA-N 1 1 257.761 3.373 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CC[C@H]3CCC[C@H]3C2)cc1Cl ZINC001232257956 818295680 /nfs/dbraw/zinc/29/56/80/818295680.db2.gz NLYWMRCETJHOPJ-MNOVXSKESA-N 1 1 281.783 3.373 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2cc(Cl)c(O)cc2O)cn1 ZINC001232263377 818298088 /nfs/dbraw/zinc/29/80/88/818298088.db2.gz OIOQCXNUKYWYFN-UHFFFAOYSA-N 1 1 292.766 3.087 20 10 CGCDMO COc1cc(O)c(C[N@@H+]2CCC[C@](C)(F)C2)cc1Cl ZINC001232266922 818298165 /nfs/dbraw/zinc/29/81/65/818298165.db2.gz SRDAYAVPDACOKN-AWEZNQCLSA-N 1 1 287.762 3.378 20 10 CGCDMO COC(=O)c1c(C[N@H+]2CCCC23CC3)c2ccccc2n1C ZINC001232402509 818340757 /nfs/dbraw/zinc/34/07/57/818340757.db2.gz PBDXCNANGFAFPT-UHFFFAOYSA-N 1 1 298.386 3.093 20 10 CGCDMO CC(C)[N@@H+](Cc1ccccc1)Cc1cc(O)c(O)c(O)c1 ZINC001233010355 818501501 /nfs/dbraw/zinc/50/15/01/818501501.db2.gz PRBZTWBPUQYLSX-UHFFFAOYSA-N 1 1 287.359 3.214 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@]3(CCO3)C2)c1 ZINC001233286108 818567476 /nfs/dbraw/zinc/56/74/76/818567476.db2.gz FZCXQDZLJYFQLI-SFHVURJKSA-N 1 1 289.419 3.445 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001233332188 818583832 /nfs/dbraw/zinc/58/38/32/818583832.db2.gz BLTRSIMGSQEGTC-PHIMTYICSA-N 1 1 267.319 3.292 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001233332188 818583838 /nfs/dbraw/zinc/58/38/38/818583838.db2.gz BLTRSIMGSQEGTC-PHIMTYICSA-N 1 1 267.319 3.292 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2c(O)ccc(F)c2F)[C@@H](C)C1 ZINC001233335405 818587371 /nfs/dbraw/zinc/58/73/71/818587371.db2.gz SZZBPJABPDKREU-ZJUUUORDSA-N 1 1 255.308 3.291 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)ccc(F)c2F)[C@@H](C)C1 ZINC001233335405 818587380 /nfs/dbraw/zinc/58/73/80/818587380.db2.gz SZZBPJABPDKREU-ZJUUUORDSA-N 1 1 255.308 3.291 20 10 CGCDMO Oc1ccc(F)c(F)c1C[NH+]1CCC2(CCCOC2)CC1 ZINC001233336124 818589291 /nfs/dbraw/zinc/58/92/91/818589291.db2.gz ZNJPYIXPIIHLEC-UHFFFAOYSA-N 1 1 297.345 3.063 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1cc(F)c(F)cc1N ZINC001233381916 818604183 /nfs/dbraw/zinc/60/41/83/818604183.db2.gz XTQDTRDCICESLW-UHFFFAOYSA-N 1 1 292.329 3.275 20 10 CGCDMO C[N@H+](Cc1ccno1)Cc1ccc(C(F)(F)F)cc1O ZINC001233455568 818623956 /nfs/dbraw/zinc/62/39/56/818623956.db2.gz PYZNCLBMWAODOQ-UHFFFAOYSA-N 1 1 286.253 3.031 20 10 CGCDMO C[N@@H+](Cc1ccno1)Cc1ccc(C(F)(F)F)cc1O ZINC001233455568 818623959 /nfs/dbraw/zinc/62/39/59/818623959.db2.gz PYZNCLBMWAODOQ-UHFFFAOYSA-N 1 1 286.253 3.031 20 10 CGCDMO CCN1CCc2cc(O[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)ccc21 ZINC001233607172 818657510 /nfs/dbraw/zinc/65/75/10/818657510.db2.gz IVMDCHPAVYPVQN-QLPKVWCKSA-N 1 1 286.419 3.073 20 10 CGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@H](F)C3)c2c1 ZINC001234552859 818881307 /nfs/dbraw/zinc/88/13/07/818881307.db2.gz LTZKGJQUPSCWSL-CYBMUJFWSA-N 1 1 289.350 3.488 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2O)CC[C@@H]1O ZINC001234998165 818971371 /nfs/dbraw/zinc/97/13/71/818971371.db2.gz GMVKOEOISFHBJQ-KSSFIOAISA-N 1 1 297.398 3.262 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2O)CCC[C@@H]1O ZINC001235676362 819137370 /nfs/dbraw/zinc/13/73/70/819137370.db2.gz RDUKAZWFBMGOSM-CJNGLKHVSA-N 1 1 291.435 3.283 20 10 CGCDMO CC(C)c1ccc(CN(C)[C@H]2CCCC[C@@H]2[NH3+])c(O)c1 ZINC001236219218 819386772 /nfs/dbraw/zinc/38/67/72/819386772.db2.gz USHJFGABQXOEIQ-HOTGVXAUSA-N 1 1 276.424 3.217 20 10 CGCDMO CCc1ccc(C[N@H+]2CCC[C@](C)(F)C2)c(O)c1 ZINC001236784684 819596022 /nfs/dbraw/zinc/59/60/22/819596022.db2.gz YJHOFFQOCIJOKE-HNNXBMFYSA-N 1 1 251.345 3.279 20 10 CGCDMO CCc1ccc(C[N@H+]2CCC[C@H](CF)C2)c(O)c1 ZINC001236795272 819596981 /nfs/dbraw/zinc/59/69/81/819596981.db2.gz SVTMFZBCCCMEJK-CYBMUJFWSA-N 1 1 251.345 3.136 20 10 CGCDMO COc1ccc(C[N@@H+]2CCC[C@H](F)CC2)c(O)c1Cl ZINC001236802501 819599108 /nfs/dbraw/zinc/59/91/08/819599108.db2.gz QZUIDDMSLDVYQE-NSHDSACASA-N 1 1 287.762 3.378 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@H](F)CC2)c(O)c1Cl ZINC001236802501 819599114 /nfs/dbraw/zinc/59/91/14/819599114.db2.gz QZUIDDMSLDVYQE-NSHDSACASA-N 1 1 287.762 3.378 20 10 CGCDMO COc1ccc(C[N@@H+]2CCC[C@H]2C)c(O)c1Cl ZINC001236800897 819599226 /nfs/dbraw/zinc/59/92/26/819599226.db2.gz APHJPDBDOZOVRH-SECBINFHSA-N 1 1 255.745 3.039 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@H]2C)c(O)c1Cl ZINC001236800897 819599231 /nfs/dbraw/zinc/59/92/31/819599231.db2.gz APHJPDBDOZOVRH-SECBINFHSA-N 1 1 255.745 3.039 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC23CCCC3)c(O)c1 ZINC001236806773 819601782 /nfs/dbraw/zinc/60/17/82/819601782.db2.gz AZJSNRFCHDPEAM-UHFFFAOYSA-N 1 1 261.365 3.228 20 10 CGCDMO COc1cc(O)c(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)c(Cl)c1 ZINC001236805408 819601810 /nfs/dbraw/zinc/60/18/10/819601810.db2.gz FSINOCIGESBCTR-QWRGUYRKSA-N 1 1 299.798 3.054 20 10 CGCDMO CC(C)[N@@H+](C)[C@H]1CCN(Cc2cc3ccccc3cc2O)C1 ZINC001236838448 819616241 /nfs/dbraw/zinc/61/62/41/819616241.db2.gz YKDIIYAHTFYPTO-SFHVURJKSA-N 1 1 298.430 3.460 20 10 CGCDMO CC(C)N(C)[C@H]1CC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236838448 819616249 /nfs/dbraw/zinc/61/62/49/819616249.db2.gz YKDIIYAHTFYPTO-SFHVURJKSA-N 1 1 298.430 3.460 20 10 CGCDMO CC(C)N(C)[C@H]1CC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236838448 819616254 /nfs/dbraw/zinc/61/62/54/819616254.db2.gz YKDIIYAHTFYPTO-SFHVURJKSA-N 1 1 298.430 3.460 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC(=O)[C@@H](F)CC2)c(O)c1 ZINC001237044189 819647727 /nfs/dbraw/zinc/64/77/27/819647727.db2.gz BJPWXWRUIRYKOS-AWEZNQCLSA-N 1 1 279.355 3.019 20 10 CGCDMO CC(C)c1ccc(C[N@@H+]2CCC(=O)[C@@H](F)CC2)c(O)c1 ZINC001237044189 819647729 /nfs/dbraw/zinc/64/77/29/819647729.db2.gz BJPWXWRUIRYKOS-AWEZNQCLSA-N 1 1 279.355 3.019 20 10 CGCDMO CC(C)c1ccc(C[N@@H+]2CCC(=O)C[C@@H]2C)c(O)c1 ZINC001237044939 819650023 /nfs/dbraw/zinc/65/00/23/819650023.db2.gz FZVFGOYBXWMLNU-LBPRGKRZSA-N 1 1 261.365 3.069 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC(=O)C[C@@H]2C)c(O)c1 ZINC001237044939 819650028 /nfs/dbraw/zinc/65/00/28/819650028.db2.gz FZVFGOYBXWMLNU-LBPRGKRZSA-N 1 1 261.365 3.069 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@](F)(CO)CC2)c(O)c1 ZINC001237046705 819650272 /nfs/dbraw/zinc/65/02/72/819650272.db2.gz VUPLUVOKFRGNIT-QGZVFWFLSA-N 1 1 295.398 3.202 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCCC(=O)[C@@H](C)C2)c(O)c1 ZINC001237047072 819650760 /nfs/dbraw/zinc/65/07/60/819650760.db2.gz ZIOMCYJBCXNGHW-ZDUSSCGKSA-N 1 1 275.392 3.317 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCc3cnccc3C2)c(O)c1 ZINC001237045389 819651175 /nfs/dbraw/zinc/65/11/75/819651175.db2.gz KCVOSDUSIQOJME-UHFFFAOYSA-N 1 1 282.387 3.469 20 10 CGCDMO CC(C)OC1C[NH+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237056324 819654083 /nfs/dbraw/zinc/65/40/83/819654083.db2.gz XYDMXDLIOOSREE-UHFFFAOYSA-N 1 1 263.381 3.125 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237127023 819672721 /nfs/dbraw/zinc/67/27/21/819672721.db2.gz SFAYVEYQLAZKDX-SNVBAGLBSA-N 1 1 287.762 3.186 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2c(O)ccc(F)c2Cl)[C@H](C)C1 ZINC001237128545 819674780 /nfs/dbraw/zinc/67/47/80/819674780.db2.gz RKXRXWGKQSLYGG-NXEZZACHSA-N 1 1 287.762 3.184 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@H+]1CCNC2=CCCC[C@H]21 ZINC001237232100 819708388 /nfs/dbraw/zinc/70/83/88/819708388.db2.gz ZXKFSMKYYDUGQL-GOSISDBHSA-N 1 1 294.398 3.387 20 10 CGCDMO COc1ccccc1CC[N@@H+](C)Cc1c(C)cccc1O ZINC001237487267 819762159 /nfs/dbraw/zinc/76/21/59/819762159.db2.gz HJKJBZYQFDXPQH-UHFFFAOYSA-N 1 1 285.387 3.384 20 10 CGCDMO Cc1cccc(O)c1C[N@H+](C)CC(=O)c1ccccc1 ZINC001237491879 819763503 /nfs/dbraw/zinc/76/35/03/819763503.db2.gz MULADBRPLDXVPQ-UHFFFAOYSA-N 1 1 269.344 3.015 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+](C)CC(=O)c1ccccc1 ZINC001237491879 819763507 /nfs/dbraw/zinc/76/35/07/819763507.db2.gz MULADBRPLDXVPQ-UHFFFAOYSA-N 1 1 269.344 3.015 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@](C)(CO)CC2)c1O ZINC001237681807 819806718 /nfs/dbraw/zinc/80/67/18/819806718.db2.gz SVHQGPXSLVAWNC-MRXNPFEDSA-N 1 1 297.826 3.339 20 10 CGCDMO CC[N@H+](Cc1occc1OC)Cc1ccc(N(C)C)cc1 ZINC001237868578 819862264 /nfs/dbraw/zinc/86/22/64/819862264.db2.gz AVSZPHQQGPPOLZ-UHFFFAOYSA-N 1 1 288.391 3.376 20 10 CGCDMO CC[N@@H+](Cc1occc1OC)Cc1ccc(N(C)C)cc1 ZINC001237868578 819862276 /nfs/dbraw/zinc/86/22/76/819862276.db2.gz AVSZPHQQGPPOLZ-UHFFFAOYSA-N 1 1 288.391 3.376 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC001237933633 819884413 /nfs/dbraw/zinc/88/44/13/819884413.db2.gz FHDODKNBKUJDSX-HNNXBMFYSA-N 1 1 299.773 3.187 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC001237933633 819884423 /nfs/dbraw/zinc/88/44/23/819884423.db2.gz FHDODKNBKUJDSX-HNNXBMFYSA-N 1 1 299.773 3.187 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001237935597 819887629 /nfs/dbraw/zinc/88/76/29/819887629.db2.gz WJINVICCNXMOAD-BDAKNGLRSA-N 1 1 291.700 3.272 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001237935597 819887639 /nfs/dbraw/zinc/88/76/39/819887639.db2.gz WJINVICCNXMOAD-BDAKNGLRSA-N 1 1 291.700 3.272 20 10 CGCDMO C[N@H+](CCc1cccnc1)Cc1cc(F)c(Cl)cc1O ZINC001237938108 819888840 /nfs/dbraw/zinc/88/88/40/819888840.db2.gz XYZUPZIKNVWSPJ-UHFFFAOYSA-N 1 1 294.757 3.254 20 10 CGCDMO C[N@@H+](CCc1cccnc1)Cc1cc(F)c(Cl)cc1O ZINC001237938108 819888848 /nfs/dbraw/zinc/88/88/48/819888848.db2.gz XYZUPZIKNVWSPJ-UHFFFAOYSA-N 1 1 294.757 3.254 20 10 CGCDMO C[N@H+](Cc1ccccc1O)Cc1cnc(F)cc1Cl ZINC001238027973 819914715 /nfs/dbraw/zinc/91/47/15/819914715.db2.gz PQGCXJFBDKQVKQ-UHFFFAOYSA-N 1 1 280.730 3.212 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1cnc(F)cc1Cl ZINC001238027973 819914721 /nfs/dbraw/zinc/91/47/21/819914721.db2.gz PQGCXJFBDKQVKQ-UHFFFAOYSA-N 1 1 280.730 3.212 20 10 CGCDMO Cc1cc(F)cc(C[N@@H+]2CCC[C@H]2C(C)C)c1O ZINC001238069348 819923495 /nfs/dbraw/zinc/92/34/95/819923495.db2.gz YHVQGIAAGFDHHY-AWEZNQCLSA-N 1 1 251.345 3.460 20 10 CGCDMO Cc1cc(F)cc(C[N@@H+](C)C[C@@H]2CC2(C)C)c1O ZINC001238071383 819924665 /nfs/dbraw/zinc/92/46/65/819924665.db2.gz WAGREEOPLDVYGF-LBPRGKRZSA-N 1 1 251.345 3.318 20 10 CGCDMO CSc1ncc(C)cc1C[N@@H+](C)Cc1ccccc1O ZINC001238718822 820101598 /nfs/dbraw/zinc/10/15/98/820101598.db2.gz RZANCEWIIIXUTB-UHFFFAOYSA-N 1 1 288.416 3.450 20 10 CGCDMO C[N@@H+](CCOc1ccccc1Cl)Cc1ccc(N)cc1 ZINC001352788242 937049351 /nfs/dbraw/zinc/04/93/51/937049351.db2.gz NDKWDEODTSDKHT-UHFFFAOYSA-N 1 1 290.794 3.433 20 10 CGCDMO Nc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC001356083749 937152670 /nfs/dbraw/zinc/15/26/70/937152670.db2.gz ZULZBMYWSUUKTE-UHFFFAOYSA-N 1 1 297.358 3.342 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1O ZINC001140178257 931956963 /nfs/dbraw/zinc/95/69/63/931956963.db2.gz FZBYIYCPQJQVBF-BETUJISGSA-N 1 1 281.346 3.486 20 10 CGCDMO Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)c(O)c1 ZINC001462583204 937651699 /nfs/dbraw/zinc/65/16/99/937651699.db2.gz VXJLPNSVZPVZEX-MJGOQNOKSA-N 1 1 279.383 3.474 20 10 CGCDMO CC1=CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC001308618087 933143295 /nfs/dbraw/zinc/14/32/95/933143295.db2.gz GFQSTAQUIVNSGJ-SNAWJCMRSA-N 1 1 256.393 3.418 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC001308626417 933144932 /nfs/dbraw/zinc/14/49/32/933144932.db2.gz AXIQDKAIBAYQDG-NSHDSACASA-N 1 1 291.782 3.148 20 10 CGCDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001308851626 933190244 /nfs/dbraw/zinc/19/02/44/933190244.db2.gz SMCJOKIQPVTLQN-CQSZACIVSA-N 1 1 283.799 3.435 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001319681867 933914677 /nfs/dbraw/zinc/91/46/77/933914677.db2.gz LBFFJWUMDQQEDM-ZIAGYGMSSA-N 1 1 275.392 3.413 20 10 CGCDMO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC001320130163 934005829 /nfs/dbraw/zinc/00/58/29/934005829.db2.gz JBLCIHQLBMJSAY-QWRGUYRKSA-N 1 1 297.370 3.302 20 10 CGCDMO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC001320411271 934045715 /nfs/dbraw/zinc/04/57/15/934045715.db2.gz LDCYTRDFDPVLBH-KYOSRNDESA-N 1 1 297.402 3.119 20 10 CGCDMO CCCC[N@@H+](Cc1cc(C)n[nH]1)Cc1ccccc1O ZINC001321473130 934188744 /nfs/dbraw/zinc/18/87/44/934188744.db2.gz FIRAYSMQXXMDNM-UHFFFAOYSA-N 1 1 273.380 3.226 20 10 CGCDMO CCC[C@H](O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC001324425487 934501894 /nfs/dbraw/zinc/50/18/94/934501894.db2.gz SYIZJNMQDMOQLW-HNNXBMFYSA-N 1 1 289.375 3.148 20 10 CGCDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@H](CF)C3)c2c1 ZINC001331044667 935344953 /nfs/dbraw/zinc/34/49/53/935344953.db2.gz BGPYHBKKAACAET-GFCCVEGCSA-N 1 1 289.350 3.345 20 10 CGCDMO Nc1ccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2F)cc1 ZINC001334753330 936112057 /nfs/dbraw/zinc/11/20/57/936112057.db2.gz CSQWNKQSDXUTRJ-IRXDYDNUSA-N 1 1 270.351 3.384 20 10 CGCDMO C[N@@H+](Cc1ccc(N)cc1)[C@H]1CCc2ccccc21 ZINC001336117962 936176751 /nfs/dbraw/zinc/17/67/51/936176751.db2.gz RURYIPFWDBPUMU-KRWDZBQOSA-N 1 1 252.361 3.388 20 10 CGCDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N)cc2)C12CCC2 ZINC001336286669 936186346 /nfs/dbraw/zinc/18/63/46/936186346.db2.gz UEXQUHHUPBRMGM-HZPDHXFCSA-N 1 1 274.408 3.048 20 10 CGCDMO CCC[C@@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001473858463 937825046 /nfs/dbraw/zinc/82/50/46/937825046.db2.gz NGUPJJOVABYLTJ-QGZVFWFLSA-N 1 1 288.435 3.288 20 10 CGCDMO Cn1c[nH+]c2cc(NCc3cc(F)cc(F)c3O)ccc21 ZINC001474050906 937837987 /nfs/dbraw/zinc/83/79/87/937837987.db2.gz YSHKMZLLPIRFKG-UHFFFAOYSA-N 1 1 289.285 3.169 20 10 CGCDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3nc[nH]c3c2)c1 ZINC001474196209 937843675 /nfs/dbraw/zinc/84/36/75/937843675.db2.gz NRRWXRNNQUPVLL-NSHDSACASA-N 1 1 297.358 3.128 20 10 CGCDMO CCCCC[N@H+](C/C=C/c1ccc(N(C)C)cc1)CCO ZINC001474414274 937858375 /nfs/dbraw/zinc/85/83/75/937858375.db2.gz WEEKKGOYJTUXIF-BQYQJAHWSA-N 1 1 290.451 3.250 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2C[C@@H](C)N(C)C[C@@H]2C)c1 ZINC001474463641 937861286 /nfs/dbraw/zinc/86/12/86/937861286.db2.gz TVUQJKMMJKDSJS-KGLIPLIRSA-N 1 1 276.424 3.040 20 10 CGCDMO CC(C)c1ccc(O)c(CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC001474463641 937861288 /nfs/dbraw/zinc/86/12/88/937861288.db2.gz TVUQJKMMJKDSJS-KGLIPLIRSA-N 1 1 276.424 3.040 20 10 CGCDMO CC(C)c1ccc(O)c(CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC001474463641 937861290 /nfs/dbraw/zinc/86/12/90/937861290.db2.gz TVUQJKMMJKDSJS-KGLIPLIRSA-N 1 1 276.424 3.040 20 10 CGCDMO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001560065253 938243239 /nfs/dbraw/zinc/24/32/39/938243239.db2.gz INTMISGCWUKFBJ-GOEBONIOSA-N 1 1 276.424 3.060 20 10 CGCDMO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1c(O)cc(C)cc1Cl ZINC001560726956 938272428 /nfs/dbraw/zinc/27/24/28/938272428.db2.gz LPEKQDFNNBOCLO-RYUDHWBXSA-N 1 1 283.799 3.353 20 10 CGCDMO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1c(O)cc(C)cc1Cl ZINC001560726956 938272429 /nfs/dbraw/zinc/27/24/29/938272429.db2.gz LPEKQDFNNBOCLO-RYUDHWBXSA-N 1 1 283.799 3.353 20 10 CGCDMO Oc1cc(Cl)ccc1C[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC001560732206 938273112 /nfs/dbraw/zinc/27/31/12/938273112.db2.gz GILKVHORXRXFGA-ZFWWWQNUSA-N 1 1 281.783 3.093 20 10 CGCDMO C[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)C1CCCC1 ZINC001560831433 938278491 /nfs/dbraw/zinc/27/84/91/938278491.db2.gz PEPDHRPKRCDJQP-SECBINFHSA-N 1 1 255.308 3.339 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCO[C@H](C(C)(C)C)CC2)c1 ZINC001561052313 938291967 /nfs/dbraw/zinc/29/19/67/938291967.db2.gz YDLITLQPQNNWRT-INIZCTEOSA-N 1 1 293.407 3.038 20 10 CGCDMO CCCOc1ccc(CN[C@@H]2C[C@@H]([NH3+])C23CCC3)cc1C ZINC001577585728 962551178 /nfs/dbraw/zinc/55/11/78/962551178.db2.gz ACTIAFMOSQXYEE-IAGOWNOFSA-N 1 1 288.435 3.143 20 10 CGCDMO COc1ccc(O)c(CNc2cc(C3CC3)cc[nH+]2)c1 ZINC000290842861 346425894 /nfs/dbraw/zinc/42/58/94/346425894.db2.gz IKZITRWFXUSPAO-UHFFFAOYSA-N 1 1 270.332 3.285 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCc3sccc3C2)c1O ZINC000124285573 370923138 /nfs/dbraw/zinc/92/31/38/370923138.db2.gz MPCDGSHIWLYLBU-UHFFFAOYSA-N 1 1 289.400 3.411 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1n1ccnc1 ZINC000091959660 370083652 /nfs/dbraw/zinc/08/36/52/370083652.db2.gz OCJJORYFYOMFEH-QAPCUYQASA-N 1 1 298.434 3.032 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](N3CCCC3)C2)cc1C ZINC000092046835 370089591 /nfs/dbraw/zinc/08/95/91/370089591.db2.gz NGVHNHYZUDZGMF-QGZVFWFLSA-N 1 1 288.435 3.069 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](N3CCCC3)C2)cc1C ZINC000092046835 370089596 /nfs/dbraw/zinc/08/95/96/370089596.db2.gz NGVHNHYZUDZGMF-QGZVFWFLSA-N 1 1 288.435 3.069 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000290953950 372082523 /nfs/dbraw/zinc/08/25/23/372082523.db2.gz QXDNEJTWJUDTCK-HOTGVXAUSA-N 1 1 291.366 3.065 20 10 CGCDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293531642 372405455 /nfs/dbraw/zinc/40/54/55/372405455.db2.gz JLFLEJFBKJCHSE-GOSISDBHSA-N 1 1 290.451 3.046 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000293676483 372446471 /nfs/dbraw/zinc/44/64/71/372446471.db2.gz QZUVICLQODXWOJ-ABAIWWIYSA-N 1 1 299.773 3.232 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2(C(C)C)CC2)c1 ZINC000293704962 372456067 /nfs/dbraw/zinc/45/60/67/372456067.db2.gz MKQKTFLPYOBFTA-LLVKDONJSA-N 1 1 277.364 3.018 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000293733154 372464292 /nfs/dbraw/zinc/46/42/92/372464292.db2.gz WOCGSHHGIPCCFO-WDBKCZKBSA-N 1 1 299.773 3.232 20 10 CGCDMO CSC(C)(C)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000168813070 372621417 /nfs/dbraw/zinc/62/14/17/372621417.db2.gz BNLFXYNPKPFXSC-VIFPVBQESA-N 1 1 257.374 3.324 20 10 CGCDMO Oc1c(F)cccc1C[NH+]1CC(COc2ccccc2)C1 ZINC000297463385 373272324 /nfs/dbraw/zinc/27/23/24/373272324.db2.gz RTZTXBJLVSDIEY-UHFFFAOYSA-N 1 1 287.334 3.042 20 10 CGCDMO Cc1cc(N[C@@H](C)c2ccc(N(C)C)cc2)nc(C)[nH+]1 ZINC000302435312 373867637 /nfs/dbraw/zinc/86/76/37/373867637.db2.gz QLDICKJFSKCZLY-LBPRGKRZSA-N 1 1 270.380 3.333 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@@H]2c2cccn2C)c1O ZINC000179708020 373907488 /nfs/dbraw/zinc/90/74/88/373907488.db2.gz UAQZASQAEFDEMX-OAHLLOKOSA-N 1 1 286.375 3.076 20 10 CGCDMO CSC[C@@H]1CCC[N@H+]1Cc1cccc(C)c1O ZINC000180534667 374018543 /nfs/dbraw/zinc/01/85/43/374018543.db2.gz QWDJMUCIIBHFDB-ZDUSSCGKSA-N 1 1 251.395 3.028 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](C)C[C@@H](C)c2nccs2)c1 ZINC000183259331 374392983 /nfs/dbraw/zinc/39/29/83/374392983.db2.gz KFQYZKRHAQUAJE-GFCCVEGCSA-N 1 1 276.405 3.393 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCS[C@@H](C)CC2)c1 ZINC000190700374 375532556 /nfs/dbraw/zinc/53/25/56/375532556.db2.gz XOYSLEBYXGSNSC-LBPRGKRZSA-N 1 1 251.395 3.028 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000191379244 375621109 /nfs/dbraw/zinc/62/11/09/375621109.db2.gz XFEYAXQVSREDKR-QMTHXVAHSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000191379244 375621113 /nfs/dbraw/zinc/62/11/13/375621113.db2.gz XFEYAXQVSREDKR-QMTHXVAHSA-N 1 1 299.773 3.186 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1O ZINC000245637870 376872757 /nfs/dbraw/zinc/87/27/57/376872757.db2.gz CNTHNFPJOGWXFA-WFASDCNBSA-N 1 1 295.810 3.355 20 10 CGCDMO Cc1cc[nH+]c(N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000268293426 378053340 /nfs/dbraw/zinc/05/33/40/378053340.db2.gz FGYDGOCVLWTNID-OAHLLOKOSA-N 1 1 297.402 3.400 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)CCN(C)C)c1ccc(N(C)C)cc1 ZINC000268981135 378164801 /nfs/dbraw/zinc/16/48/01/378164801.db2.gz HSEFTLWBKCTOLC-RHSMWYFYSA-N 1 1 277.456 3.134 20 10 CGCDMO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)CCN(C)C)cc1 ZINC000269033501 378177310 /nfs/dbraw/zinc/17/73/10/378177310.db2.gz SFAJEQIKNFQKQN-CABCVRRESA-N 1 1 277.456 3.134 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2cccc(F)c2[O-])cc1 ZINC000272229057 378589941 /nfs/dbraw/zinc/58/99/41/378589941.db2.gz DKXMGMYJPKSZGE-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2cccc(F)c2O)cc1 ZINC000272229057 378589947 /nfs/dbraw/zinc/58/99/47/378589947.db2.gz DKXMGMYJPKSZGE-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc(F)cc1O ZINC000273530860 378752184 /nfs/dbraw/zinc/75/21/84/378752184.db2.gz WGVPTWIQTSGMPO-WCQYABFASA-N 1 1 279.355 3.284 20 10 CGCDMO CCCC[N@@H+](CCCCOC)Cc1ccccc1O ZINC000282435517 379919362 /nfs/dbraw/zinc/91/93/62/379919362.db2.gz KNWPYLTZDAKRHU-UHFFFAOYSA-N 1 1 265.397 3.421 20 10 CGCDMO CCSCCC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000282934938 380013593 /nfs/dbraw/zinc/01/35/93/380013593.db2.gz YPZUVBUGEKCMDY-JTQLQIEISA-N 1 1 257.374 3.325 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1[O-] ZINC000285572354 380149998 /nfs/dbraw/zinc/14/99/98/380149998.db2.gz IBGAKMCRZXUSFV-MLGOLLRUSA-N 1 1 292.398 3.056 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccc(F)cc1O ZINC000285522869 380151208 /nfs/dbraw/zinc/15/12/08/380151208.db2.gz BGMDPYPBMACWES-WMHQRMGPSA-N 1 1 293.382 3.386 20 10 CGCDMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(N(C)C)cc2)no1 ZINC000362379436 381965344 /nfs/dbraw/zinc/96/53/44/381965344.db2.gz IIMVPLKLNSCKHH-QGZVFWFLSA-N 1 1 285.391 3.386 20 10 CGCDMO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(N(C)C)cc2)no1 ZINC000362379436 381965348 /nfs/dbraw/zinc/96/53/48/381965348.db2.gz IIMVPLKLNSCKHH-QGZVFWFLSA-N 1 1 285.391 3.386 20 10 CGCDMO CC[N@@H+](Cc1ccccn1)Cc1cc(C)ccc1O ZINC000093338898 392238046 /nfs/dbraw/zinc/23/80/46/392238046.db2.gz LJPQKIVMKKJBOZ-UHFFFAOYSA-N 1 1 256.349 3.118 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)CC(C)(C)C)c1O ZINC000133376005 392463212 /nfs/dbraw/zinc/46/32/12/392463212.db2.gz OVWNZRNQZLLOBE-UHFFFAOYSA-N 1 1 251.370 3.269 20 10 CGCDMO CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000185112219 262042092 /nfs/dbraw/zinc/04/20/92/262042092.db2.gz WAVAKRBVLNVCMD-STQMWFEESA-N 1 1 296.842 3.428 20 10 CGCDMO CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000185112219 262042093 /nfs/dbraw/zinc/04/20/93/262042093.db2.gz WAVAKRBVLNVCMD-STQMWFEESA-N 1 1 296.842 3.428 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1F ZINC000284957755 263088721 /nfs/dbraw/zinc/08/87/21/263088721.db2.gz HUEILDGFIGWQGJ-IAGOWNOFSA-N 1 1 292.398 3.035 20 10 CGCDMO CC[C@H]([NH2+]C[C@@](C)(OC)C1CC1)c1ccc(F)cc1O ZINC000291084964 263120039 /nfs/dbraw/zinc/12/00/39/263120039.db2.gz CHPNNHOEUPNDAZ-GOEBONIOSA-N 1 1 281.371 3.387 20 10 CGCDMO Cc1cccc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)[nH+]1 ZINC000129217185 264320742 /nfs/dbraw/zinc/32/07/42/264320742.db2.gz WEESNASEUJUIQO-HNNXBMFYSA-N 1 1 297.402 3.400 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCCC[C@@H](COC)C2)c1O ZINC000368661312 267194984 /nfs/dbraw/zinc/19/49/84/267194984.db2.gz VJRWDOJTKRSBSR-CQSZACIVSA-N 1 1 293.407 3.039 20 10 CGCDMO COCC[C@@H]1CCCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000368677120 267197601 /nfs/dbraw/zinc/19/76/01/267197601.db2.gz QCSQXGNFPWYQFM-HNNXBMFYSA-N 1 1 277.408 3.339 20 10 CGCDMO Oc1c(F)cccc1C[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000370475654 267320998 /nfs/dbraw/zinc/32/09/98/267320998.db2.gz DSMQGOUAYLYTBU-CQSZACIVSA-N 1 1 291.297 3.284 20 10 CGCDMO Cc1ccc([C@H](C)[NH2+]C2CCN(CC(C)C)CC2)c(O)c1 ZINC000184972925 327835446 /nfs/dbraw/zinc/83/54/46/327835446.db2.gz IMZWNKIOBJTSSD-HNNXBMFYSA-N 1 1 290.451 3.472 20 10 CGCDMO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185564380 327841047 /nfs/dbraw/zinc/84/10/47/327841047.db2.gz ZFHWHNUWTKVDRT-MNOVXSKESA-N 1 1 269.360 3.386 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)c1 ZINC000289947581 328256975 /nfs/dbraw/zinc/25/69/75/328256975.db2.gz YMRVTEIYQWWVKT-ZBFHGGJFSA-N 1 1 277.408 3.216 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000377827035 329030570 /nfs/dbraw/zinc/03/05/70/329030570.db2.gz SDCILQVHARRUAJ-ZIAGYGMSSA-N 1 1 293.382 3.170 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000377827035 329030571 /nfs/dbraw/zinc/03/05/71/329030571.db2.gz SDCILQVHARRUAJ-ZIAGYGMSSA-N 1 1 293.382 3.170 20 10 CGCDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccccc2O)n1 ZINC000179576017 329209818 /nfs/dbraw/zinc/20/98/18/329209818.db2.gz DCPMCBMDNJAYQJ-INIZCTEOSA-N 1 1 268.360 3.433 20 10 CGCDMO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC000274906362 519421464 /nfs/dbraw/zinc/42/14/64/519421464.db2.gz IOMXHKVSCRCBKN-LSDHHAIUSA-N 1 1 281.371 3.215 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)CCC2CCOCC2)c1 ZINC000129685108 521139625 /nfs/dbraw/zinc/13/96/25/521139625.db2.gz VETARHASGREHCX-UHFFFAOYSA-N 1 1 293.407 3.039 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)c1nnc(C)o1 ZINC000076074290 521690858 /nfs/dbraw/zinc/69/08/58/521690858.db2.gz JWEDEGMSCQYJSV-LLVKDONJSA-N 1 1 275.352 3.057 20 10 CGCDMO COC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(C)o1 ZINC000080238032 522363712 /nfs/dbraw/zinc/36/37/12/522363712.db2.gz SNCQKTOXYFCOKT-MRXNPFEDSA-N 1 1 288.391 3.131 20 10 CGCDMO COC[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000096832847 522475008 /nfs/dbraw/zinc/47/50/08/522475008.db2.gz HEWHACZVEIGFFZ-CYBMUJFWSA-N 1 1 271.360 3.014 20 10 CGCDMO CC[C@@H](CSC)[N@@H+](C)Cc1cc(C)ccc1O ZINC000290372016 522604545 /nfs/dbraw/zinc/60/45/45/522604545.db2.gz HLXCSVRDGMYORQ-ZDUSSCGKSA-N 1 1 253.411 3.274 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)CCN(C)C)c1ccc(C)cc1O ZINC000280058450 522934170 /nfs/dbraw/zinc/93/41/70/522934170.db2.gz KENXMRMYQGMEJB-UKRRQHHQSA-N 1 1 264.413 3.082 20 10 CGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000279727117 523807148 /nfs/dbraw/zinc/80/71/48/523807148.db2.gz VJHVIJWDGLYCHC-INIZCTEOSA-N 1 1 263.381 3.010 20 10 CGCDMO CO[C@H](C)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000278670628 523884307 /nfs/dbraw/zinc/88/43/07/523884307.db2.gz JDUNEJNWLLYTJI-SFYZADRCSA-N 1 1 278.179 3.385 20 10 CGCDMO Cc1cccc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1O ZINC000290947595 524386331 /nfs/dbraw/zinc/38/63/31/524386331.db2.gz QJAOXEGVLKMTRQ-NVXWUHKLSA-N 1 1 287.403 3.234 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000291654373 524738931 /nfs/dbraw/zinc/73/89/31/524738931.db2.gz UWKVEHDRHLSNBB-MRXNPFEDSA-N 1 1 273.376 3.165 20 10 CGCDMO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cccc(Cl)c1O ZINC000289866970 524791489 /nfs/dbraw/zinc/79/14/89/524791489.db2.gz VQWGWIJFCKPPHK-GXTWGEPZSA-N 1 1 294.826 3.104 20 10 CGCDMO C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1ccc(F)cc1O ZINC000290152672 525526028 /nfs/dbraw/zinc/52/60/28/525526028.db2.gz CRZWWJCYJMOKQX-PRXAMGSTSA-N 1 1 289.350 3.304 20 10 CGCDMO C[C@@]1([NH2+]Cc2c(O)ccc(Cl)c2F)CCO[C@@H]1C1CC1 ZINC000365129956 525874078 /nfs/dbraw/zinc/87/40/78/525874078.db2.gz AMFXRXMNNKMEOS-HUUCEWRRSA-N 1 1 299.773 3.232 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCCc2occc2C1 ZINC000290269628 526348282 /nfs/dbraw/zinc/34/82/82/526348282.db2.gz XTBBQHRBZWHIPE-UHFFFAOYSA-N 1 1 261.296 3.073 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278315707 526348484 /nfs/dbraw/zinc/34/84/84/526348484.db2.gz FNQIVBVFGLTPOG-VIFPVBQESA-N 1 1 277.261 3.306 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCCO[C@@H](C)C2)cc1C(C)C ZINC000738161068 572365660 /nfs/dbraw/zinc/36/56/60/572365660.db2.gz LTBXPWIJUMGCJJ-AWEZNQCLSA-N 1 1 277.408 3.435 20 10 CGCDMO CC(C)[C@H]1CN(C)CC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000738285942 572369500 /nfs/dbraw/zinc/36/95/00/572369500.db2.gz RBSAPQWODLIYIA-GOSISDBHSA-N 1 1 298.430 3.317 20 10 CGCDMO COc1ccc([N@H+](CCCCCO)CC(C)C)cc1 ZINC000744395332 572748507 /nfs/dbraw/zinc/74/85/07/572748507.db2.gz RJYSEMVHPYBOJT-UHFFFAOYSA-N 1 1 265.397 3.320 20 10 CGCDMO COc1ccc([N@@H+](CCCCCO)CC(C)C)cc1 ZINC000744395332 572748511 /nfs/dbraw/zinc/74/85/11/572748511.db2.gz RJYSEMVHPYBOJT-UHFFFAOYSA-N 1 1 265.397 3.320 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2CC[C@H]2C)c1 ZINC000309779335 618955855 /nfs/dbraw/zinc/95/58/55/618955855.db2.gz MNINQNBSAASOFZ-SKDRFNHKSA-N 1 1 284.197 3.351 20 10 CGCDMO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)C[C@@H](C)O1 ZINC000248852352 617719523 /nfs/dbraw/zinc/71/95/23/617719523.db2.gz BMAVKIBXYXVWOC-ZWNOBZJWSA-N 1 1 299.798 3.054 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2O)C[C@@H](C)O1 ZINC000248852352 617719530 /nfs/dbraw/zinc/71/95/30/617719530.db2.gz BMAVKIBXYXVWOC-ZWNOBZJWSA-N 1 1 299.798 3.054 20 10 CGCDMO COc1cc(O)c(C[N@H+]2C[C@@H](C)CCC[C@H]2C)cc1OC ZINC000160289298 617874079 /nfs/dbraw/zinc/87/40/79/617874079.db2.gz YVIYBUDPGRLAPW-QWHCGFSZSA-N 1 1 293.407 3.420 20 10 CGCDMO CC[C@@H](C)[N@H+](C)CCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000247019133 618611296 /nfs/dbraw/zinc/61/12/96/618611296.db2.gz MTDMBUIJDIUAOR-HUUCEWRRSA-N 1 1 277.456 3.134 20 10 CGCDMO CC[C@@H](C)[N@@H+](C)CCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000247019133 618611299 /nfs/dbraw/zinc/61/12/99/618611299.db2.gz MTDMBUIJDIUAOR-HUUCEWRRSA-N 1 1 277.456 3.134 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCOc3ccccc3C2)c1O ZINC000318039596 618734391 /nfs/dbraw/zinc/73/43/91/618734391.db2.gz GHVGHDZBIOGDHK-UHFFFAOYSA-N 1 1 299.370 3.186 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2F)c1 ZINC000840875934 618749035 /nfs/dbraw/zinc/74/90/35/618749035.db2.gz LAHBUEIQGBIFOH-ZLKJLUDKSA-N 1 1 295.354 3.110 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1ccc(F)cc1O ZINC000310544429 618799464 /nfs/dbraw/zinc/79/94/64/618799464.db2.gz DFBJOXPBWULMLD-SBMIAAHKSA-N 1 1 255.358 3.076 20 10 CGCDMO CC[C@H](C)C[N@@H+](CC)Cc1cc(OC)ccc1O ZINC000156088191 618839587 /nfs/dbraw/zinc/83/95/87/618839587.db2.gz FFOMXSYGQIDGCD-LBPRGKRZSA-N 1 1 251.370 3.269 20 10 CGCDMO COc1cccc(O)c1C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000892856121 618944304 /nfs/dbraw/zinc/94/43/04/618944304.db2.gz NJMIRUSXOCEJOL-JTQLQIEISA-N 1 1 278.377 3.017 20 10 CGCDMO CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H](C)C(C)C ZINC000092590294 618995149 /nfs/dbraw/zinc/99/51/49/618995149.db2.gz JGZLUYUARZEIOP-INIZCTEOSA-N 1 1 290.451 3.390 20 10 CGCDMO Cc1ccc(F)cc1C[N@H+](C)Cc1ccccc1O ZINC000179942611 619011531 /nfs/dbraw/zinc/01/15/31/619011531.db2.gz LBCLNSXWCYUQNH-UHFFFAOYSA-N 1 1 259.324 3.472 20 10 CGCDMO Cc1cccc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c1O ZINC000180311320 619014532 /nfs/dbraw/zinc/01/45/32/619014532.db2.gz XSYPGTBBTAPVIF-RYUDHWBXSA-N 1 1 251.395 3.026 20 10 CGCDMO CC[N@H+](Cc1cnn(C)c1)Cc1c(O)cc(C)cc1Cl ZINC000840911460 619120387 /nfs/dbraw/zinc/12/03/87/619120387.db2.gz BOZWJUNWNKJGSQ-UHFFFAOYSA-N 1 1 293.798 3.110 20 10 CGCDMO CC[N@@H+](Cc1cnn(C)c1)Cc1c(O)cc(C)cc1Cl ZINC000840911460 619120389 /nfs/dbraw/zinc/12/03/89/619120389.db2.gz BOZWJUNWNKJGSQ-UHFFFAOYSA-N 1 1 293.798 3.110 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](O)CC(C)(C)C2)c(Cl)c1 ZINC000840950195 619252634 /nfs/dbraw/zinc/25/26/34/619252634.db2.gz GOVONUALMMGUTF-LBPRGKRZSA-N 1 1 297.826 3.337 20 10 CGCDMO CCC[N@@H+](CCC(=O)OC(C)(C)C)Cc1ccccc1O ZINC000076074008 619270273 /nfs/dbraw/zinc/27/02/73/619270273.db2.gz FSTXDAXYWIUQLW-UHFFFAOYSA-N 1 1 293.407 3.336 20 10 CGCDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC000893677110 619277410 /nfs/dbraw/zinc/27/74/10/619277410.db2.gz QBGHNVXQDYIDQP-YPMHNXCESA-N 1 1 279.380 3.030 20 10 CGCDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC000893677107 619277512 /nfs/dbraw/zinc/27/75/12/619277512.db2.gz QBGHNVXQDYIDQP-WCQYABFASA-N 1 1 279.380 3.030 20 10 CGCDMO C[C@@H]([NH2+]Cc1nccn1C1CC1)c1ccc(N(C)C)cc1 ZINC000893684095 619278711 /nfs/dbraw/zinc/27/87/11/619278711.db2.gz ORIZKLCYOYURQX-CYBMUJFWSA-N 1 1 284.407 3.135 20 10 CGCDMO CCC[N@@H+](Cc1cnc2ccccn12)Cc1ccccc1O ZINC000159485927 619284543 /nfs/dbraw/zinc/28/45/43/619284543.db2.gz LNDQSSCTNKTSAS-UHFFFAOYSA-N 1 1 295.386 3.452 20 10 CGCDMO COc1cc(C)cc(C[N@@H+]2CCn3cccc3[C@H]2C)c1O ZINC000893879737 619326030 /nfs/dbraw/zinc/32/60/30/619326030.db2.gz IMQSAJGDOXKMCH-CYBMUJFWSA-N 1 1 286.375 3.088 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCn3cccc3[C@H]2C)c1O ZINC000893879737 619326031 /nfs/dbraw/zinc/32/60/31/619326031.db2.gz IMQSAJGDOXKMCH-CYBMUJFWSA-N 1 1 286.375 3.088 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)[C@@H](C)CCSC)c1O ZINC000894038874 619356143 /nfs/dbraw/zinc/35/61/43/619356143.db2.gz GSBPXBFWTJLHPJ-LBPRGKRZSA-N 1 1 283.437 3.283 20 10 CGCDMO C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H](C2CC2)O1 ZINC000793220131 619706719 /nfs/dbraw/zinc/70/67/19/619706719.db2.gz RATWOMGDYVSWBN-ZUZCIYMTSA-N 1 1 281.783 3.045 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@H](C2CC2)O1 ZINC000793220131 619706723 /nfs/dbraw/zinc/70/67/23/619706723.db2.gz RATWOMGDYVSWBN-ZUZCIYMTSA-N 1 1 281.783 3.045 20 10 CGCDMO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185527880 625370011 /nfs/dbraw/zinc/37/00/11/625370011.db2.gz OPUXDWUKNPKDCE-WBMJQRKESA-N 1 1 283.387 3.369 20 10 CGCDMO Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185544957 625374315 /nfs/dbraw/zinc/37/43/15/625374315.db2.gz XXTPGGNFNGGZQB-LBPRGKRZSA-N 1 1 291.370 3.167 20 10 CGCDMO Cc1cccc(O)c1C[NH2+][C@@H]1c2ccccc2OC[C@H]1F ZINC000896422093 620006994 /nfs/dbraw/zinc/00/69/94/620006994.db2.gz HOBMKUCEEQWIQA-RHSMWYFYSA-N 1 1 287.334 3.262 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000896532305 620022908 /nfs/dbraw/zinc/02/29/08/620022908.db2.gz UEYRSGMEEZZWRI-ZDUSSCGKSA-N 1 1 288.416 3.303 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[NH2+]Cc1c(O)cccc1F ZINC000896637642 620041400 /nfs/dbraw/zinc/04/14/00/620041400.db2.gz KZVTWFOJHWWUGD-UHFFFAOYSA-N 1 1 288.366 3.196 20 10 CGCDMO CC(C)[C@@H](CNCc1cc(Cl)ccc1O)[NH+]1CCCC1 ZINC000021510126 620211980 /nfs/dbraw/zinc/21/19/80/620211980.db2.gz MQTAFKJRMVTMNM-OAHLLOKOSA-N 1 1 296.842 3.256 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2cccc(=O)[nH]2)cc1Cl ZINC000897391071 620282376 /nfs/dbraw/zinc/28/23/76/620282376.db2.gz DDAUSBDUVDNMGA-UHFFFAOYSA-N 1 1 292.766 3.087 20 10 CGCDMO C[C@@H]1CC[C@H]([NH2+]Cc2cccc(F)c2O)C[C@H]1C ZINC000252782768 620375504 /nfs/dbraw/zinc/37/55/04/620375504.db2.gz VZYYZRQMINAAEC-WZRBSPASSA-N 1 1 251.345 3.446 20 10 CGCDMO Cc1ccc(O)c([C@@H](C)NCc2cc(N(C)C)cc[nH+]2)c1 ZINC000903198409 621623078 /nfs/dbraw/zinc/62/30/78/621623078.db2.gz KTZLWSSPDZMEPZ-CYBMUJFWSA-N 1 1 285.391 3.012 20 10 CGCDMO C[C@H]([NH2+][C@H]1COC[C@H]1C)c1cc(Cl)c(Cl)cc1O ZINC000903393850 621719602 /nfs/dbraw/zinc/71/96/02/621719602.db2.gz URSWOILFMMDUHA-LWINAJNOSA-N 1 1 290.190 3.385 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCCC(C)(C)C2)c1O ZINC000164329817 622828205 /nfs/dbraw/zinc/82/82/05/622828205.db2.gz GGQWYGJWZYFBMR-UHFFFAOYSA-N 1 1 263.381 3.331 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(C)cc(C)c2O)C[C@H](C)O1 ZINC000164318022 622828586 /nfs/dbraw/zinc/82/85/86/622828586.db2.gz UEINJLHJZPKGHU-DZGCQCFKSA-N 1 1 263.381 3.008 20 10 CGCDMO CC[N@@H+](Cc1ccccn1)Cc1cc(C)cc(OC)c1O ZINC000164471862 622836943 /nfs/dbraw/zinc/83/69/43/622836943.db2.gz MLEKTZIGEVPSMZ-UHFFFAOYSA-N 1 1 286.375 3.126 20 10 CGCDMO C[C@@H](C1CC1)[N@@H+](C)Cc1cc(Br)ccc1O ZINC000158016625 622993071 /nfs/dbraw/zinc/99/30/71/622993071.db2.gz CXXUNRFEFLCNFH-VIFPVBQESA-N 1 1 284.197 3.385 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H](O)Cc1ccccc1 ZINC000170779253 623098131 /nfs/dbraw/zinc/09/81/31/623098131.db2.gz MBNCUSOLLXBRNK-SFHVURJKSA-N 1 1 299.414 3.208 20 10 CGCDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000230392987 623236398 /nfs/dbraw/zinc/23/63/98/623236398.db2.gz GLUUUQJVHOEVDN-LBPRGKRZSA-N 1 1 251.345 3.399 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCCO1 ZINC000172495180 623252674 /nfs/dbraw/zinc/25/26/74/623252674.db2.gz QBKUANLMJACHGM-GFCCVEGCSA-N 1 1 293.407 3.006 20 10 CGCDMO Cc1nc(C[NH2+]Cc2c(O)cccc2Cl)cs1 ZINC000083552043 625646605 /nfs/dbraw/zinc/64/66/05/625646605.db2.gz LZCUWWSTMMRPOL-UHFFFAOYSA-N 1 1 268.769 3.100 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2C(C)C)c1O ZINC000088837866 623509003 /nfs/dbraw/zinc/50/90/03/623509003.db2.gz DYCDGPQVMRWZMO-OAHLLOKOSA-N 1 1 279.355 3.354 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)C2CCC(C)CC2)cc1OC ZINC000179438647 624657990 /nfs/dbraw/zinc/65/79/90/624657990.db2.gz NXBMDSQQWZFABN-UHFFFAOYSA-N 1 1 293.407 3.420 20 10 CGCDMO COc1ccccc1CC[N@@H+](C)Cc1cc(F)ccc1O ZINC000180081195 624712912 /nfs/dbraw/zinc/71/29/12/624712912.db2.gz HWJNCMBAIRTJQR-UHFFFAOYSA-N 1 1 289.350 3.214 20 10 CGCDMO COc1ccc(O)c(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000180273854 624731205 /nfs/dbraw/zinc/73/12/05/624731205.db2.gz QYSPJENPPMJOGB-BETUJISGSA-N 1 1 261.365 3.023 20 10 CGCDMO C[C@H]1C[C@@H]([NH2+]CC(C)(C)CN(C)C)c2c1c(F)ccc2O ZINC000756340714 625876930 /nfs/dbraw/zinc/87/69/30/625876930.db2.gz JRCBRHDEXNVJHM-WCQYABFASA-N 1 1 294.414 3.257 20 10 CGCDMO CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1[O-] ZINC000840808753 626190164 /nfs/dbraw/zinc/19/01/64/626190164.db2.gz DTOAAMXSDQHGDB-CZUORRHYSA-N 1 1 294.414 3.304 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2Cc3cccc(F)c3C2)c1 ZINC000839184809 626326933 /nfs/dbraw/zinc/32/69/33/626326933.db2.gz YLIUJXVMZLTNRW-UHFFFAOYSA-N 1 1 257.308 3.356 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2Cc3cccc(F)c3C2)c1 ZINC000839184809 626326937 /nfs/dbraw/zinc/32/69/37/626326937.db2.gz YLIUJXVMZLTNRW-UHFFFAOYSA-N 1 1 257.308 3.356 20 10 CGCDMO COc1ccc([N@H+](CC[C@@H]2CCOC2=O)CC(C)C)cc1 ZINC000753844693 626467612 /nfs/dbraw/zinc/46/76/12/626467612.db2.gz WHPNFUDOVFBJLK-CQSZACIVSA-N 1 1 291.391 3.111 20 10 CGCDMO COc1ccc([N@@H+](CC[C@@H]2CCOC2=O)CC(C)C)cc1 ZINC000753844693 626467614 /nfs/dbraw/zinc/46/76/14/626467614.db2.gz WHPNFUDOVFBJLK-CQSZACIVSA-N 1 1 291.391 3.111 20 10 CGCDMO Cc1ccn2cc(C[NH2+][C@H](C)c3ccc(F)cc3O)nc2c1 ZINC000756534690 626713346 /nfs/dbraw/zinc/71/33/46/626713346.db2.gz MRXKQZCYFOHXJY-GFCCVEGCSA-N 1 1 299.349 3.338 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)C1CCOCC1 ZINC000756630379 626721703 /nfs/dbraw/zinc/72/17/03/626721703.db2.gz VHGDJQONBDOUJI-XHDPSFHLSA-N 1 1 281.371 3.387 20 10 CGCDMO CO[C@]1(C)C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2O)C1(C)C ZINC000756628774 626722024 /nfs/dbraw/zinc/72/20/24/626722024.db2.gz XMVXXVZTDBLESK-DRZCJDIDSA-N 1 1 281.371 3.386 20 10 CGCDMO CCC[N@H+](CC)CCN[C@@H](C)c1cc(Cl)ccc1O ZINC000756638023 626723166 /nfs/dbraw/zinc/72/31/66/626723166.db2.gz QKYDGPHSTICLQF-LBPRGKRZSA-N 1 1 284.831 3.428 20 10 CGCDMO CCC[N@@H+](CC)CCN[C@@H](C)c1cc(Cl)ccc1O ZINC000756638023 626723170 /nfs/dbraw/zinc/72/31/70/626723170.db2.gz QKYDGPHSTICLQF-LBPRGKRZSA-N 1 1 284.831 3.428 20 10 CGCDMO CCCC1(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000756758139 626729734 /nfs/dbraw/zinc/72/97/34/626729734.db2.gz RZEMWXQAPYXHGV-LBPRGKRZSA-N 1 1 291.391 3.410 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](C)C(C)(C)C2)cc1OC ZINC000758998382 626869792 /nfs/dbraw/zinc/86/97/92/626869792.db2.gz BSOZCJGCIMMUHE-GFCCVEGCSA-N 1 1 293.407 3.277 20 10 CGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCOC2(CCCC2)C1 ZINC000765103181 627240648 /nfs/dbraw/zinc/24/06/48/627240648.db2.gz WAMASFPYIWZCRQ-UHFFFAOYSA-N 1 1 298.386 3.085 20 10 CGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCCOC1 ZINC000768535097 627485525 /nfs/dbraw/zinc/48/55/25/627485525.db2.gz NVWPKEROEQFLSI-KRWDZBQOSA-N 1 1 290.451 3.390 20 10 CGCDMO CCOc1cccc(C[N@@H+](CCOC)C2CCCC2)c1O ZINC000768579106 627487418 /nfs/dbraw/zinc/48/74/18/627487418.db2.gz PPFIUFRYBKZTET-UHFFFAOYSA-N 1 1 293.407 3.182 20 10 CGCDMO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(N(C)C)cc2)on1 ZINC000768878520 627505898 /nfs/dbraw/zinc/50/58/98/627505898.db2.gz QEOGLBYGNYXHJS-MRXNPFEDSA-N 1 1 285.391 3.386 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCc3ccc(O)cc3CC2)cc1C ZINC000769191765 627530442 /nfs/dbraw/zinc/53/04/42/627530442.db2.gz LARWEDZOFPDCNJ-UHFFFAOYSA-N 1 1 297.398 3.315 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCCc2sccc2C1 ZINC000769381315 627547290 /nfs/dbraw/zinc/54/72/90/627547290.db2.gz OHPNBHIXHQVFBV-UHFFFAOYSA-N 1 1 289.400 3.411 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCS[C@H](C)[C@@H]2C)c(O)c1 ZINC000769445573 627552517 /nfs/dbraw/zinc/55/25/17/627552517.db2.gz GUFZBRUUUHZWOD-NWDGAFQWSA-N 1 1 281.421 3.117 20 10 CGCDMO CCOc1ccc(C[N@H+]2C[C@@H](C)C[C@@H]2CC)c(O)c1 ZINC000769449124 627553300 /nfs/dbraw/zinc/55/33/00/627553300.db2.gz ZCOOVGKJBRHDMH-JSGCOSHPSA-N 1 1 263.381 3.411 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](C)[C@@H](C)C2)c1 ZINC000769451557 627554386 /nfs/dbraw/zinc/55/43/86/627554386.db2.gz MXTYEQGCNISLNE-STQMWFEESA-N 1 1 263.381 3.269 20 10 CGCDMO C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1cc(F)cc(F)c1O ZINC000769990661 627595526 /nfs/dbraw/zinc/59/55/26/627595526.db2.gz VVJYNLWLVMLXEA-AMIZOPFISA-N 1 1 299.342 3.116 20 10 CGCDMO CS[C@@H]1CCCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000770351798 627614590 /nfs/dbraw/zinc/61/45/90/627614590.db2.gz UVLGPRZWVMENGC-MRXNPFEDSA-N 1 1 278.465 3.470 20 10 CGCDMO COc1ccc2c(c1)CCC[N@H+](Cc1ccccc1O)C2 ZINC000770510118 627623853 /nfs/dbraw/zinc/62/38/53/627623853.db2.gz JTDBBBMRXQFRFZ-UHFFFAOYSA-N 1 1 283.371 3.349 20 10 CGCDMO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(N(C)CC)cc1 ZINC000773730729 627908813 /nfs/dbraw/zinc/90/88/13/627908813.db2.gz PZJDMDSEUVNKMS-GDBMZVCRSA-N 1 1 276.424 3.142 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](OC)CC2)cc1 ZINC000773835443 627918538 /nfs/dbraw/zinc/91/85/38/627918538.db2.gz FGXUYXASCTVOPY-KRWDZBQOSA-N 1 1 276.424 3.144 20 10 CGCDMO COC[C@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774095107 627943728 /nfs/dbraw/zinc/94/37/28/627943728.db2.gz BRRHPJPYLLNTLD-YUMQZZPRSA-N 1 1 278.179 3.385 20 10 CGCDMO Cc1nc(C[NH2+][C@H](C)c2ccccc2O)nc2ccccc12 ZINC000775128413 628066216 /nfs/dbraw/zinc/06/62/16/628066216.db2.gz BUZRGBJLKKGACY-GFCCVEGCSA-N 1 1 293.370 3.495 20 10 CGCDMO Cc1nc(C[NH2+][C@@H](C)c2ccccc2O)nc2ccccc12 ZINC000775128414 628066285 /nfs/dbraw/zinc/06/62/85/628066285.db2.gz BUZRGBJLKKGACY-LBPRGKRZSA-N 1 1 293.370 3.495 20 10 CGCDMO CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(Cl)ccc1[O-] ZINC000775501110 628101097 /nfs/dbraw/zinc/10/10/97/628101097.db2.gz BSBUEYKVHQMLSF-OAHLLOKOSA-N 1 1 296.842 3.428 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCOC(C)(C)[C@@H]2C)c1O ZINC000775707386 628127631 /nfs/dbraw/zinc/12/76/31/628127631.db2.gz HHTJAMWHQHXQQM-NSHDSACASA-N 1 1 283.799 3.353 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCOC(C)(C)[C@@H]2C)c1O ZINC000775707386 628127633 /nfs/dbraw/zinc/12/76/33/628127633.db2.gz HHTJAMWHQHXQQM-NSHDSACASA-N 1 1 283.799 3.353 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1O ZINC000775717284 628129647 /nfs/dbraw/zinc/12/96/47/628129647.db2.gz ACROMRLABTUKQS-BETUJISGSA-N 1 1 265.784 3.442 20 10 CGCDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2cc(F)ccc2O)C1(C)C ZINC000779032544 628384445 /nfs/dbraw/zinc/38/44/45/628384445.db2.gz JVILBRPSSQGUIA-HOCLYGCPSA-N 1 1 281.371 3.167 20 10 CGCDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C[C@H]1O ZINC000779432257 628413180 /nfs/dbraw/zinc/41/31/80/628413180.db2.gz QDERGUVXKVBSGT-SWLSCSKDSA-N 1 1 297.826 3.275 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)[C@@H]1CO ZINC000785984163 628905727 /nfs/dbraw/zinc/90/57/27/628905727.db2.gz HHJDNEYZOKWEHK-KBXCAEBGSA-N 1 1 297.398 3.262 20 10 CGCDMO C[C@@H]([NH2+]C[C@H](C)N(C)C)c1cccc(C(F)(F)F)c1O ZINC000788590341 629066630 /nfs/dbraw/zinc/06/66/30/629066630.db2.gz VMCRROFKBQMWOQ-VHSXEESVSA-N 1 1 290.329 3.012 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCCOC1)c1cccc(C(F)(F)F)c1O ZINC000788787097 629082221 /nfs/dbraw/zinc/08/22/21/629082221.db2.gz YNEZERRXBRSTSP-ZJUUUORDSA-N 1 1 289.297 3.241 20 10 CGCDMO COc1cc(O)c(C[N@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)cc1OC ZINC000789586380 629148313 /nfs/dbraw/zinc/14/83/13/629148313.db2.gz NGHSHBJAHVDBQA-JHJVBQTASA-N 1 1 293.407 3.276 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCCC1CC1 ZINC000790967895 629244342 /nfs/dbraw/zinc/24/43/42/629244342.db2.gz BABGBZONWCLDRN-UHFFFAOYSA-N 1 1 257.736 3.465 20 10 CGCDMO C[N@H+](CCOC(C)(C)C)Cc1c(O)ccc(Cl)c1F ZINC000792170667 629343412 /nfs/dbraw/zinc/34/34/12/629343412.db2.gz UWGVTLSYFKKCIW-UHFFFAOYSA-N 1 1 289.778 3.432 20 10 CGCDMO C[N@@H+](CCOC(C)(C)C)Cc1c(O)ccc(Cl)c1F ZINC000792170667 629343419 /nfs/dbraw/zinc/34/34/19/629343419.db2.gz UWGVTLSYFKKCIW-UHFFFAOYSA-N 1 1 289.778 3.432 20 10 CGCDMO CN(C)c1cc(F)c(Cn2c[nH+]c3c2CCCC3)cc1F ZINC000862432244 629371829 /nfs/dbraw/zinc/37/18/29/629371829.db2.gz WMJSUIAALXDPFB-UHFFFAOYSA-N 1 1 291.345 3.154 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1O ZINC000862473159 629383676 /nfs/dbraw/zinc/38/36/76/629383676.db2.gz GQJJSWKIFNPTJX-KGLIPLIRSA-N 1 1 263.406 3.171 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H](CCF)C2)cc1 ZINC000862530955 629392506 /nfs/dbraw/zinc/39/25/06/629392506.db2.gz VZGFXLMVLPPACU-QGZVFWFLSA-N 1 1 294.414 3.093 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@H](CCF)C2)cc1 ZINC000862530955 629392512 /nfs/dbraw/zinc/39/25/12/629392512.db2.gz VZGFXLMVLPPACU-QGZVFWFLSA-N 1 1 294.414 3.093 20 10 CGCDMO Oc1ccc([C@@H]2CC[N@@H+](Cc3cc(F)ccc3O)C2)cc1 ZINC000862540839 629396551 /nfs/dbraw/zinc/39/65/51/629396551.db2.gz KWNYSWDXHQUTKT-CYBMUJFWSA-N 1 1 287.334 3.226 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)C[C@H]1CCOC1)c1ccc(F)cc1O ZINC000796796754 629836196 /nfs/dbraw/zinc/83/61/96/629836196.db2.gz RBSGONUZSZFWHO-ZOWXZIJZSA-N 1 1 281.371 3.387 20 10 CGCDMO Cc1cc(C[N@H+](C)Cc2ccccc2O)cc(Cl)n1 ZINC000797589915 629964801 /nfs/dbraw/zinc/96/48/01/629964801.db2.gz RMLAHTHXWDUGKS-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](c3ccccn3)C2)cc1 ZINC000798962872 630129835 /nfs/dbraw/zinc/12/98/35/630129835.db2.gz RSGYDJBIYUAPQF-INIZCTEOSA-N 1 1 281.403 3.137 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@H](c3ccccn3)C2)c1O ZINC000798964701 630130529 /nfs/dbraw/zinc/13/05/29/630130529.db2.gz MPXXENMVKBLCEW-AWEZNQCLSA-N 1 1 298.386 3.175 20 10 CGCDMO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCOCC12CC2 ZINC000802658451 630403949 /nfs/dbraw/zinc/40/39/49/630403949.db2.gz BMBYJGKYMYTXGU-UHFFFAOYSA-N 1 1 286.419 3.042 20 10 CGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCOCC12CC2 ZINC000802658451 630403951 /nfs/dbraw/zinc/40/39/51/630403951.db2.gz BMBYJGKYMYTXGU-UHFFFAOYSA-N 1 1 286.419 3.042 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCCO[C@@H](C(C)C)C2)c1 ZINC000840095363 630590928 /nfs/dbraw/zinc/59/09/28/630590928.db2.gz LISKAEURNVFEED-MRXNPFEDSA-N 1 1 277.408 3.256 20 10 CGCDMO CCOc1ccc(O)c(C[NH2+][C@@H]2CCCC2(F)F)c1 ZINC000808432012 630644430 /nfs/dbraw/zinc/64/44/30/630644430.db2.gz RYZIZCOMZBDGGX-CYBMUJFWSA-N 1 1 271.307 3.068 20 10 CGCDMO CCC[N@H+](CC)C[C@@H](C)NCc1ccc(OCC)cc1O ZINC000810179544 630851140 /nfs/dbraw/zinc/85/11/40/630851140.db2.gz CRACJQVDHZZPCK-CQSZACIVSA-N 1 1 294.439 3.001 20 10 CGCDMO CCC[N@@H+](CC)C[C@@H](C)NCc1ccc(OCC)cc1O ZINC000810179544 630851143 /nfs/dbraw/zinc/85/11/43/630851143.db2.gz CRACJQVDHZZPCK-CQSZACIVSA-N 1 1 294.439 3.001 20 10 CGCDMO CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000810244130 630858099 /nfs/dbraw/zinc/85/80/99/630858099.db2.gz AFQIQOPFFVJMHE-SGMGOOAPSA-N 1 1 294.414 3.398 20 10 CGCDMO CC(C)[N@H+](C)C[C@H](C)N[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000810244130 630858102 /nfs/dbraw/zinc/85/81/02/630858102.db2.gz AFQIQOPFFVJMHE-SGMGOOAPSA-N 1 1 294.414 3.398 20 10 CGCDMO CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000810253687 630860230 /nfs/dbraw/zinc/86/02/30/630860230.db2.gz AFQIQOPFFVJMHE-YRGRVCCFSA-N 1 1 294.414 3.398 20 10 CGCDMO CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000810253687 630860232 /nfs/dbraw/zinc/86/02/32/630860232.db2.gz AFQIQOPFFVJMHE-YRGRVCCFSA-N 1 1 294.414 3.398 20 10 CGCDMO CCC[N@H+](CC)C[C@H](C)N[C@@H](C)c1cc(OC)ccc1O ZINC000810261857 630861549 /nfs/dbraw/zinc/86/15/49/630861549.db2.gz GHJJWDROARBHPO-KBPBESRZSA-N 1 1 294.439 3.172 20 10 CGCDMO CCC[N@@H+](CC)C[C@H](C)N[C@@H](C)c1cc(OC)ccc1O ZINC000810261857 630861552 /nfs/dbraw/zinc/86/15/52/630861552.db2.gz GHJJWDROARBHPO-KBPBESRZSA-N 1 1 294.439 3.172 20 10 CGCDMO Oc1ccccc1CN1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000811508232 631077470 /nfs/dbraw/zinc/07/74/70/631077470.db2.gz HHFRULJMZGMPGR-KRWDZBQOSA-N 1 1 294.398 3.377 20 10 CGCDMO CC(C)[N@H+](Cc1c(O)ccc(Cl)c1F)[C@H]1CCOC1 ZINC000812777217 631307387 /nfs/dbraw/zinc/30/73/87/631307387.db2.gz ZLKPINQPHDSNEZ-JTQLQIEISA-N 1 1 287.762 3.184 20 10 CGCDMO CC(C)[N@@H+](Cc1c(O)ccc(Cl)c1F)[C@H]1CCOC1 ZINC000812777217 631307391 /nfs/dbraw/zinc/30/73/91/631307391.db2.gz ZLKPINQPHDSNEZ-JTQLQIEISA-N 1 1 287.762 3.184 20 10 CGCDMO CC[C@@H]1CC[N@H+]1Cc1cc(Br)cc(C)c1O ZINC000814179630 631539523 /nfs/dbraw/zinc/53/95/23/631539523.db2.gz WPGLPKXBPHORQH-GFCCVEGCSA-N 1 1 284.197 3.447 20 10 CGCDMO CSC[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815061726 631708673 /nfs/dbraw/zinc/70/86/73/631708673.db2.gz FVYGLSZSEDKLSH-OAHLLOKOSA-N 1 1 278.465 3.388 20 10 CGCDMO CCC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000815076776 631712553 /nfs/dbraw/zinc/71/25/53/631712553.db2.gz MDBLVMZZMFXZKE-MRXNPFEDSA-N 1 1 276.424 3.062 20 10 CGCDMO CSCCC[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000815107064 631718694 /nfs/dbraw/zinc/71/86/94/631718694.db2.gz DSCRXSRYXWMFOG-UHFFFAOYSA-N 1 1 266.454 3.246 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)cc1 ZINC000815107955 631718891 /nfs/dbraw/zinc/71/88/91/631718891.db2.gz PTIQVKBVZHPGNQ-WMLDXEAASA-N 1 1 276.424 3.142 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@@]3(C2)CCCOC3)ccc1N(C)C ZINC000815112964 631718930 /nfs/dbraw/zinc/71/89/30/631718930.db2.gz JTXDIYIDSNDHRU-GOSISDBHSA-N 1 1 288.435 3.064 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](CC2CCC2)[C@@H](C)CO)cc1 ZINC000815106691 631719014 /nfs/dbraw/zinc/71/90/14/631719014.db2.gz ZSYBJDFNXCVVBE-HNNXBMFYSA-N 1 1 290.451 3.126 20 10 CGCDMO CCOC1CC([N@@H+](C)Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815117582 631721110 /nfs/dbraw/zinc/72/11/10/631721110.db2.gz HODTWXAHWBHCFF-UHFFFAOYSA-N 1 1 276.424 3.060 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000815119140 631721381 /nfs/dbraw/zinc/72/13/81/631721381.db2.gz QEONLVHTOSWBTI-GOSISDBHSA-N 1 1 298.434 3.095 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CC1(C2CC2)CC1 ZINC000816558073 632011155 /nfs/dbraw/zinc/01/11/55/632011155.db2.gz MCQZFKLLGMUTOF-UHFFFAOYSA-N 1 1 269.747 3.465 20 10 CGCDMO Oc1c(C[N@H+]2CCOCC3(CC3)C2)ccc2ccccc21 ZINC000816567018 632014726 /nfs/dbraw/zinc/01/47/26/632014726.db2.gz OGIHNKDWYCKIPP-UHFFFAOYSA-N 1 1 283.371 3.158 20 10 CGCDMO COCC1=CC[N@@H+](Cc2ccc3ccccc3c2O)CC1 ZINC000816573718 632015788 /nfs/dbraw/zinc/01/57/88/632015788.db2.gz ISPVCQZFFMSSJH-UHFFFAOYSA-N 1 1 283.371 3.324 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000817957283 632251932 /nfs/dbraw/zinc/25/19/32/632251932.db2.gz AGQKNNYCUYVHHG-BMIGLBTASA-N 1 1 298.377 3.229 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1[O-] ZINC000817970041 632262250 /nfs/dbraw/zinc/26/22/50/632262250.db2.gz KDEANRYIABAROU-UHTWSYAYSA-N 1 1 282.815 3.275 20 10 CGCDMO C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc2ccccc2c1[O-] ZINC000817976554 632267560 /nfs/dbraw/zinc/26/75/60/632267560.db2.gz NJCQPRCPHSOKJK-GUYCJALGSA-N 1 1 296.414 3.338 20 10 CGCDMO CO[C@@H](C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C)C1CC1 ZINC000822582354 632976046 /nfs/dbraw/zinc/97/60/46/632976046.db2.gz DIRCIIPWRRCDGA-SFHVURJKSA-N 1 1 290.451 3.388 20 10 CGCDMO Oc1ccc(-c2ccccc2)cc1C[N@@H+](C1CC1)C1COC1 ZINC000824471677 633248739 /nfs/dbraw/zinc/24/87/39/633248739.db2.gz FZUXEXOYXAAAGD-UHFFFAOYSA-N 1 1 295.382 3.422 20 10 CGCDMO C[N@@H+](Cc1cc(Cl)ccc1O)[C@H](CO)c1ccccc1 ZINC000824696236 633274261 /nfs/dbraw/zinc/27/42/61/633274261.db2.gz IYYMZEIAJVHOAV-OAHLLOKOSA-N 1 1 291.778 3.211 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)[C@H]2CCN(C3CC3)C2)cc1Cl ZINC000824713859 633277718 /nfs/dbraw/zinc/27/77/18/633277718.db2.gz LEIQBRTZRSYFMN-AWEZNQCLSA-N 1 1 294.826 3.023 20 10 CGCDMO Cc1cc(O)c(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000824713859 633277722 /nfs/dbraw/zinc/27/77/22/633277722.db2.gz LEIQBRTZRSYFMN-AWEZNQCLSA-N 1 1 294.826 3.023 20 10 CGCDMO Cc1cc(O)c(CN(C)[C@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000824713859 633277723 /nfs/dbraw/zinc/27/77/23/633277723.db2.gz LEIQBRTZRSYFMN-AWEZNQCLSA-N 1 1 294.826 3.023 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C[C@@H]1C ZINC000824815670 633295098 /nfs/dbraw/zinc/29/50/98/633295098.db2.gz WJYJLYFVBPQLQS-SCLBCKFNSA-N 1 1 285.387 3.402 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)CC1(C)C ZINC000824820512 633297792 /nfs/dbraw/zinc/29/77/92/633297792.db2.gz GVGAGWCYPYYBLR-AWEZNQCLSA-N 1 1 283.799 3.293 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000824892819 633303073 /nfs/dbraw/zinc/30/30/73/633303073.db2.gz CFIJCTSHFVGKHU-CVEARBPZSA-N 1 1 287.403 3.173 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000824914533 633305078 /nfs/dbraw/zinc/30/50/78/633305078.db2.gz UHRVQTNUHOKGPX-CYBMUJFWSA-N 1 1 283.824 3.373 20 10 CGCDMO Cc1cccc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c1O ZINC000824941584 633309252 /nfs/dbraw/zinc/30/92/52/633309252.db2.gz PUZATDWHCQHUJA-HOTGVXAUSA-N 1 1 257.377 3.321 20 10 CGCDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000825091409 633327614 /nfs/dbraw/zinc/32/76/14/633327614.db2.gz ZKJXLCZSIOGOTP-CYBMUJFWSA-N 1 1 283.799 3.029 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@](C)(O)CC2)cc1Cl ZINC000825739038 633378832 /nfs/dbraw/zinc/37/88/32/633378832.db2.gz WKVLVXPVLWOOCY-HNNXBMFYSA-N 1 1 283.799 3.091 20 10 CGCDMO CO[C@]1(C)CCC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000825737673 633379155 /nfs/dbraw/zinc/37/91/55/633379155.db2.gz CZWKUWYPYNQGER-OAHLLOKOSA-N 1 1 283.799 3.355 20 10 CGCDMO C[C@@]1(C2CC2)C[N@@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC000826878305 633439840 /nfs/dbraw/zinc/43/98/40/633439840.db2.gz WUOZGLRFQYNAHN-HNNXBMFYSA-N 1 1 281.783 3.047 20 10 CGCDMO C[C@@]1(C2CC2)CN(Cc2cccc(Cl)c2[O-])CCO1 ZINC000826878305 633439844 /nfs/dbraw/zinc/43/98/44/633439844.db2.gz WUOZGLRFQYNAHN-HNNXBMFYSA-N 1 1 281.783 3.047 20 10 CGCDMO Cc1cccc(CN[C@H]2CC[N@@H+](C3CCCCC3)C2)c1O ZINC000827260982 633475744 /nfs/dbraw/zinc/47/57/44/633475744.db2.gz UFGQJCUHXWTCFC-INIZCTEOSA-N 1 1 288.435 3.197 20 10 CGCDMO Cc1cccc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)c1O ZINC000827260982 633475749 /nfs/dbraw/zinc/47/57/49/633475749.db2.gz UFGQJCUHXWTCFC-INIZCTEOSA-N 1 1 288.435 3.197 20 10 CGCDMO Cc1cc(C[N@@H+]2CC[C@@H](OC(C)C)C2)ccc1N(C)C ZINC000828832599 633659543 /nfs/dbraw/zinc/65/95/43/633659543.db2.gz XXVCFJRALAXDGD-MRXNPFEDSA-N 1 1 276.424 3.060 20 10 CGCDMO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000872133838 634056248 /nfs/dbraw/zinc/05/62/48/634056248.db2.gz PCKIEXIEYZHDHO-MWLCHTKSSA-N 1 1 275.327 3.042 20 10 CGCDMO CN(C)CC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(C)(C)C ZINC000834589880 634192991 /nfs/dbraw/zinc/19/29/91/634192991.db2.gz OVBIXLYQEZQJMT-ZBFHGGJFSA-N 1 1 290.451 3.336 20 10 CGCDMO CC1([NH2+]Cc2c(O)ccc(Cl)c2F)CC(F)(F)C1 ZINC000873197514 634281855 /nfs/dbraw/zinc/28/18/55/634281855.db2.gz CHBRVNAPWQKHAT-UHFFFAOYSA-N 1 1 279.689 3.462 20 10 CGCDMO C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)cc1[O-] ZINC000834908323 634282941 /nfs/dbraw/zinc/28/29/41/634282941.db2.gz INFQKFUFRHVXNR-GFCCVEGCSA-N 1 1 280.387 3.056 20 10 CGCDMO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(F)cc1O ZINC000834911785 634285534 /nfs/dbraw/zinc/28/55/34/634285534.db2.gz KDKQUEFVGXJNHK-WDBKCZKBSA-N 1 1 267.344 3.140 20 10 CGCDMO Cc1cc([C@H]2CCC[N@H+]2Cc2c(C)cccc2O)on1 ZINC000876617213 634869082 /nfs/dbraw/zinc/86/90/82/634869082.db2.gz HJKWNEJKYGJWJY-CQSZACIVSA-N 1 1 272.348 3.334 20 10 CGCDMO CCCO[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2O)CC1 ZINC000876720471 634885727 /nfs/dbraw/zinc/88/57/27/634885727.db2.gz IVPWSJNPODGBFR-MRXNPFEDSA-N 1 1 277.408 3.482 20 10 CGCDMO Cc1cccc(O)c1CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000876766567 634895430 /nfs/dbraw/zinc/89/54/30/634895430.db2.gz NQIPLUPRZUOWFY-HNNXBMFYSA-N 1 1 276.424 3.007 20 10 CGCDMO Cc1cccc(O)c1CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000876766567 634895431 /nfs/dbraw/zinc/89/54/31/634895431.db2.gz NQIPLUPRZUOWFY-HNNXBMFYSA-N 1 1 276.424 3.007 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c(O)c1 ZINC000877398779 635034307 /nfs/dbraw/zinc/03/43/07/635034307.db2.gz IVQNUEIRRKBFCV-IBGZPJMESA-N 1 1 295.382 3.332 20 10 CGCDMO CO[C@@](C)([C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O)C1CC1 ZINC000840860576 635067612 /nfs/dbraw/zinc/06/76/12/635067612.db2.gz VXIRKCTVHAKDEB-MMPTUQATSA-N 1 1 281.371 3.386 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000877523986 635071697 /nfs/dbraw/zinc/07/16/97/635071697.db2.gz OVDXVQODKPEGET-INIZCTEOSA-N 1 1 268.360 3.433 20 10 CGCDMO Cc1cc(O)c(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000840881634 635073516 /nfs/dbraw/zinc/07/35/16/635073516.db2.gz PBOQHDHPKLGXIX-OLZOCXBDSA-N 1 1 294.826 3.070 20 10 CGCDMO Cc1ccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)nn1 ZINC000840917236 635082295 /nfs/dbraw/zinc/08/22/95/635082295.db2.gz HZIKZIXUGKGDMN-UHFFFAOYSA-N 1 1 297.402 3.435 20 10 CGCDMO Cc1cc(N(C)C)ccc1CN[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000840935287 635085029 /nfs/dbraw/zinc/08/50/29/635085029.db2.gz KRUZGBBXQMGRFJ-DLBZAZTESA-N 1 1 289.467 3.023 20 10 CGCDMO CCOc1cc(C[N@@H+]2Cc3cccc(O)c3C2)ccc1O ZINC000877703112 635155971 /nfs/dbraw/zinc/15/59/71/635155971.db2.gz RVMWANDXIOPTJX-UHFFFAOYSA-N 1 1 285.343 3.012 20 10 CGCDMO CCOc1cc(C[N@H+]2Cc3cccc(O)c3C2)ccc1O ZINC000877703112 635155972 /nfs/dbraw/zinc/15/59/72/635155972.db2.gz RVMWANDXIOPTJX-UHFFFAOYSA-N 1 1 285.343 3.012 20 10 CGCDMO C[C@@H]([NH2+]CCCCn1ccnc1)c1ccc(Cl)cc1O ZINC000841744768 635222175 /nfs/dbraw/zinc/22/21/75/635222175.db2.gz KZQLLEKGFUEMEV-GFCCVEGCSA-N 1 1 293.798 3.373 20 10 CGCDMO CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841744193 635222323 /nfs/dbraw/zinc/22/23/23/635222323.db2.gz MTTYKKMKLJIIRC-GFCCVEGCSA-N 1 1 284.831 3.427 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1ccc(Cl)cc1O ZINC000841753281 635227139 /nfs/dbraw/zinc/22/71/39/635227139.db2.gz GBPZQILZIFDBIR-SDDRHHMPSA-N 1 1 283.799 3.369 20 10 CGCDMO COCC(C)(C)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841756819 635229892 /nfs/dbraw/zinc/22/98/92/635229892.db2.gz KLDXDIRZOKDHCF-SNVBAGLBSA-N 1 1 271.788 3.369 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@H]1CCCC(C)(C)O1 ZINC000878241480 635428617 /nfs/dbraw/zinc/42/86/17/635428617.db2.gz GEZNGQIEQDHSDI-CQSZACIVSA-N 1 1 263.381 3.172 20 10 CGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC000843104836 635558446 /nfs/dbraw/zinc/55/84/46/635558446.db2.gz MTOFBOIRZXDZCO-HDICACEKSA-N 1 1 299.462 3.003 20 10 CGCDMO c1cc(N2CCCCC2)ccc1C[N@@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC000843104836 635558449 /nfs/dbraw/zinc/55/84/49/635558449.db2.gz MTOFBOIRZXDZCO-HDICACEKSA-N 1 1 299.462 3.003 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000843413766 635661309 /nfs/dbraw/zinc/66/13/09/635661309.db2.gz QJJNOBLUSVDURV-QGZVFWFLSA-N 1 1 276.424 3.060 20 10 CGCDMO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000843427339 635671750 /nfs/dbraw/zinc/67/17/50/635671750.db2.gz LQNUNVDOIGNTKY-ONGXEEELSA-N 1 1 289.778 3.071 20 10 CGCDMO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)CCO1 ZINC000883078720 636531268 /nfs/dbraw/zinc/53/12/68/636531268.db2.gz AVFFDNUOOWGJAL-TZMCWYRMSA-N 1 1 299.361 3.354 20 10 CGCDMO OCC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)C1CCCCC1 ZINC000883079392 636531435 /nfs/dbraw/zinc/53/14/35/636531435.db2.gz RXXPSHXOQLYATJ-OAHLLOKOSA-N 1 1 299.361 3.091 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000883133645 636551226 /nfs/dbraw/zinc/55/12/26/636551226.db2.gz FKWISPAKVWMWBV-LLVKDONJSA-N 1 1 297.345 3.109 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000883195918 636578915 /nfs/dbraw/zinc/57/89/15/636578915.db2.gz FZZUXGLUXJFIDR-CABCVRRESA-N 1 1 297.345 3.108 20 10 CGCDMO C[C@@H]([NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1ccc(F)cc1O ZINC000848562348 636607402 /nfs/dbraw/zinc/60/74/02/636607402.db2.gz IBHVEJPSBPPSIW-WDEREUQCSA-N 1 1 297.370 3.160 20 10 CGCDMO CCc1cccc(C[N@@H+](C)Cc2ccccc2O)c1O ZINC000848881878 636672182 /nfs/dbraw/zinc/67/21/82/636672182.db2.gz IZZDRQFHFMKMAP-UHFFFAOYSA-N 1 1 271.360 3.292 20 10 CGCDMO CCc1cccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)c1O ZINC000848910318 636686363 /nfs/dbraw/zinc/68/63/63/636686363.db2.gz IUIPHKYTOFUDDN-INIZCTEOSA-N 1 1 285.391 3.405 20 10 CGCDMO CCc1cccc(C[N@@H+]2CC[C@H](N3CCCC3)[C@H]2C)c1O ZINC000848910516 636686455 /nfs/dbraw/zinc/68/64/55/636686455.db2.gz KYZKSISQDYKBEI-PBHICJAKSA-N 1 1 288.435 3.013 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@H](N3CCCC3)[C@H]2C)c1O ZINC000848910516 636686458 /nfs/dbraw/zinc/68/64/58/636686458.db2.gz KYZKSISQDYKBEI-PBHICJAKSA-N 1 1 288.435 3.013 20 10 CGCDMO CCc1cccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1O ZINC000848916100 636689787 /nfs/dbraw/zinc/68/97/87/636689787.db2.gz CQZAUMWCBWQLIB-MSOLQXFVSA-N 1 1 297.398 3.263 20 10 CGCDMO COc1cc(C[NH2+]C(CF)CF)c(O)c(C(C)(C)C)c1 ZINC000850312833 637015867 /nfs/dbraw/zinc/01/58/67/637015867.db2.gz FINGUYNEOXHINY-UHFFFAOYSA-N 1 1 287.350 3.096 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CC1SCCS1 ZINC000850401940 637048541 /nfs/dbraw/zinc/04/85/41/637048541.db2.gz KNOKXNMLDQVNSJ-UHFFFAOYSA-N 1 1 293.816 3.080 20 10 CGCDMO Cc1csc(CC[NH2+][C@@H](C)c2c(O)cccc2F)n1 ZINC000886501444 637543421 /nfs/dbraw/zinc/54/34/21/637543421.db2.gz KYKDRLJCTIBWBG-JTQLQIEISA-N 1 1 280.368 3.190 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1c(O)cccc1F ZINC000886510861 637548006 /nfs/dbraw/zinc/54/80/06/637548006.db2.gz BGWDCQKJNXORGY-NEPJUHHUSA-N 1 1 289.350 3.435 20 10 CGCDMO CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2c(O)cccc2F)C1 ZINC000886532667 637558575 /nfs/dbraw/zinc/55/85/75/637558575.db2.gz MPYBLEICHYNUSJ-HBNTYKKESA-N 1 1 269.385 3.466 20 10 CGCDMO CCCC[N@@H+](CCC(OC)OC)Cc1ccccc1O ZINC000852019086 637574539 /nfs/dbraw/zinc/57/45/39/637574539.db2.gz UNPIINQUITZHBL-UHFFFAOYSA-N 1 1 281.396 3.003 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)c1c(O)cccc1F)[C@@H]1CCCO1 ZINC000886557134 637579249 /nfs/dbraw/zinc/57/92/49/637579249.db2.gz ULCXINIKFASXGZ-OSMZGAPFSA-N 1 1 267.344 3.140 20 10 CGCDMO CCOCCC1(C[NH2+][C@H](C)c2c(O)cccc2F)CC1 ZINC000886555610 637579595 /nfs/dbraw/zinc/57/95/95/637579595.db2.gz XDANBWLUPPGGJB-GFCCVEGCSA-N 1 1 281.371 3.389 20 10 CGCDMO COC1(CC[NH2+][C@@H](C)c2c(O)cccc2F)CCC1 ZINC000886613726 637607260 /nfs/dbraw/zinc/60/72/60/637607260.db2.gz CQDKSFFZCWPJGO-NSHDSACASA-N 1 1 267.344 3.141 20 10 CGCDMO C[C@H]([NH2+][C@H]1COCc2ccccc21)c1c(O)cccc1F ZINC000886626708 637616955 /nfs/dbraw/zinc/61/69/55/637616955.db2.gz JCTRYJMQKYYCEG-NHYWBVRUSA-N 1 1 287.334 3.453 20 10 CGCDMO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1c(O)cccc1F ZINC000886631611 637619802 /nfs/dbraw/zinc/61/98/02/637619802.db2.gz RBLQNKYBUAZDOJ-MPKXVKKWSA-N 1 1 267.344 3.140 20 10 CGCDMO CCSC1(C[NH2+][C@H](C)c2c(O)cccc2F)CC1 ZINC000886637988 637622554 /nfs/dbraw/zinc/62/25/54/637622554.db2.gz JUPYZSPZEGUMCB-SNVBAGLBSA-N 1 1 269.385 3.468 20 10 CGCDMO Cc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CCO)ccc1N(C)C ZINC000852461399 637654160 /nfs/dbraw/zinc/65/41/60/637654160.db2.gz IQSASNBODIXUGB-KBXCAEBGSA-N 1 1 290.451 3.044 20 10 CGCDMO C[N@@H+](Cc1ccc(-n2ccnc2)cc1)Cc1ccccc1O ZINC000111235877 637804394 /nfs/dbraw/zinc/80/43/94/637804394.db2.gz IVGNJVJXJDVLHD-UHFFFAOYSA-N 1 1 293.370 3.210 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H]3C[C@@H]3C1)CCCC2 ZINC000853578848 637869080 /nfs/dbraw/zinc/86/90/80/637869080.db2.gz XRCPPKJOQNVCMP-HUUCEWRRSA-N 1 1 257.377 3.113 20 10 CGCDMO CNC[C@@H](C)[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000854232237 638030008 /nfs/dbraw/zinc/03/00/08/638030008.db2.gz OIVFPKSESFRQNV-QAPCUYQASA-N 1 1 298.430 3.264 20 10 CGCDMO Cc1ccc(O[C@H]2CC[N@@H+](Cc3cccc(C)c3O)C2)nc1 ZINC000858013612 638618099 /nfs/dbraw/zinc/61/80/99/638618099.db2.gz USWYQJOUBFKODF-INIZCTEOSA-N 1 1 298.386 3.057 20 10 CGCDMO CC(C)CC[C@H](CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000858240640 638661599 /nfs/dbraw/zinc/66/15/99/638661599.db2.gz CKOLXVDZWSKOMG-SNVBAGLBSA-N 1 1 289.778 3.071 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1cc(Cl)c(Cl)cc1O ZINC000858543597 638758522 /nfs/dbraw/zinc/75/85/22/638758522.db2.gz MOWSWLYRDQRNCW-HLTSFMKQSA-N 1 1 290.190 3.121 20 10 CGCDMO CCC[C@H](O)CC[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000927013893 638831689 /nfs/dbraw/zinc/83/16/89/638831689.db2.gz AKTXGKHOACLJFA-GXTWGEPZSA-N 1 1 269.360 3.123 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)CCS1 ZINC000191659430 640325768 /nfs/dbraw/zinc/32/57/68/640325768.db2.gz HTARTDYWTIAYSW-LBPRGKRZSA-N 1 1 277.433 3.208 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)Cc1cccnc1OC ZINC000193364993 640453084 /nfs/dbraw/zinc/45/30/84/640453084.db2.gz SSNYVHKNPPISCM-UHFFFAOYSA-N 1 1 286.375 3.208 20 10 CGCDMO COc1cccc(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1O ZINC000248373381 640754152 /nfs/dbraw/zinc/75/41/52/640754152.db2.gz IKNXBNLLDLGTSI-QEJZJMRPSA-N 1 1 275.392 3.411 20 10 CGCDMO COc1ccccc1CC[N@@H+](C)Cc1cc(C)ccc1O ZINC000093105292 640757110 /nfs/dbraw/zinc/75/71/10/640757110.db2.gz JUFPYIONYRQKIR-UHFFFAOYSA-N 1 1 285.387 3.384 20 10 CGCDMO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000248527070 640766751 /nfs/dbraw/zinc/76/67/51/640766751.db2.gz VJKNOLVADFGLAO-HFAKWTLXSA-N 1 1 293.338 3.287 20 10 CGCDMO CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C(C)C ZINC000037322987 798865971 /nfs/dbraw/zinc/86/59/71/798865971.db2.gz FPDVGIGBHUKGTR-UHFFFAOYSA-N 1 1 269.772 3.479 20 10 CGCDMO CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C(C)C ZINC000037322987 798865979 /nfs/dbraw/zinc/86/59/79/798865979.db2.gz FPDVGIGBHUKGTR-UHFFFAOYSA-N 1 1 269.772 3.479 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](CC)CC(C)(C)O)cc1 ZINC000093437175 798963898 /nfs/dbraw/zinc/96/38/98/798963898.db2.gz PQYFSSBPVWTZCB-UHFFFAOYSA-N 1 1 278.440 3.126 20 10 CGCDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(Br)ccc1O ZINC000380726797 799365965 /nfs/dbraw/zinc/36/59/65/799365965.db2.gz FWIKOHVJPIUNHQ-VHSXEESVSA-N 1 1 284.197 3.385 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCCO1 ZINC000384714111 799419109 /nfs/dbraw/zinc/41/91/09/799419109.db2.gz GVENVYNEEICWCH-ZDUSSCGKSA-N 1 1 269.772 3.047 20 10 CGCDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c(O)cccc1Cl ZINC000394367668 799495975 /nfs/dbraw/zinc/49/59/75/799495975.db2.gz SWBHERHVMIJOBB-OLZOCXBDSA-N 1 1 294.826 3.104 20 10 CGCDMO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(O)cccc1Cl ZINC000394367668 799495977 /nfs/dbraw/zinc/49/59/77/799495977.db2.gz SWBHERHVMIJOBB-OLZOCXBDSA-N 1 1 294.826 3.104 20 10 CGCDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(O)cccc1Cl ZINC000394367668 799495981 /nfs/dbraw/zinc/49/59/81/799495981.db2.gz SWBHERHVMIJOBB-OLZOCXBDSA-N 1 1 294.826 3.104 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](OC(C)C)C2)c1 ZINC000404540514 799578004 /nfs/dbraw/zinc/57/80/04/799578004.db2.gz FEWCVKGHHKYUTR-OAHLLOKOSA-N 1 1 263.381 3.090 20 10 CGCDMO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000687212155 799737426 /nfs/dbraw/zinc/73/74/26/799737426.db2.gz HLLSNRHARVFIOD-GXFFZTMASA-N 1 1 269.772 3.045 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1ccc(F)cc1O ZINC000711470747 800061234 /nfs/dbraw/zinc/06/12/34/800061234.db2.gz DFLHBLRVBBKJLJ-WCQYABFASA-N 1 1 279.355 3.284 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@H](CF)C2)c1O ZINC000711500594 800064517 /nfs/dbraw/zinc/06/45/17/800064517.db2.gz WYGAVSHZQHLBNR-GFCCVEGCSA-N 1 1 251.345 3.136 20 10 CGCDMO c1c[nH]c([C@@H]2CCC[N@H+]2Cc2ccc(N3CCCC3)cc2)n1 ZINC001116706941 802399085 /nfs/dbraw/zinc/39/90/85/802399085.db2.gz PIEDCGSJXWDPRQ-KRWDZBQOSA-N 1 1 296.418 3.347 20 10 CGCDMO c1c[nH]c([C@@H]2CCC[N@@H+]2Cc2ccc(N3CCCC3)cc2)n1 ZINC001116706941 802399094 /nfs/dbraw/zinc/39/90/94/802399094.db2.gz PIEDCGSJXWDPRQ-KRWDZBQOSA-N 1 1 296.418 3.347 20 10 CGCDMO COCC(C)(C)[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001117722771 802481823 /nfs/dbraw/zinc/48/18/23/802481823.db2.gz IAOTXVGEPQUWEP-UHFFFAOYSA-N 1 1 276.424 3.144 20 10 CGCDMO CS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2O)C1 ZINC001119237387 802636835 /nfs/dbraw/zinc/63/68/35/802636835.db2.gz UVTRQKRBCDGHSI-UONOGXRCSA-N 1 1 265.422 3.417 20 10 CGCDMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3ccc(N)cc3)C2)[nH]n1 ZINC001120371606 802742385 /nfs/dbraw/zinc/74/23/85/802742385.db2.gz KTQMPJCKFDUMTA-HNNXBMFYSA-N 1 1 298.434 3.495 20 10 CGCDMO CC(C)c1cc([C@H]2CCC[N@H+](Cc3ccc(N)cc3)C2)n[nH]1 ZINC001120371606 802742389 /nfs/dbraw/zinc/74/23/89/802742389.db2.gz KTQMPJCKFDUMTA-HNNXBMFYSA-N 1 1 298.434 3.495 20 10 CGCDMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3ccc(N)cc3)C2)n[nH]1 ZINC001120371606 802742394 /nfs/dbraw/zinc/74/23/94/802742394.db2.gz KTQMPJCKFDUMTA-HNNXBMFYSA-N 1 1 298.434 3.495 20 10 CGCDMO CC[N@@H+](Cc1[nH]nc2ccccc21)Cc1ccccc1O ZINC001137351248 803721747 /nfs/dbraw/zinc/72/17/47/803721747.db2.gz VJRHEHJEZXRLMS-UHFFFAOYSA-N 1 1 281.359 3.291 20 10 CGCDMO CC[N@H+](Cc1n[nH]c2ccccc21)Cc1ccccc1O ZINC001137351248 803721751 /nfs/dbraw/zinc/72/17/51/803721751.db2.gz VJRHEHJEZXRLMS-UHFFFAOYSA-N 1 1 281.359 3.291 20 10 CGCDMO CC[N@@H+](Cc1n[nH]c2ccccc21)Cc1ccccc1O ZINC001137351248 803721754 /nfs/dbraw/zinc/72/17/54/803721754.db2.gz VJRHEHJEZXRLMS-UHFFFAOYSA-N 1 1 281.359 3.291 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)Cc1cccnc1Cl ZINC001137427732 803732578 /nfs/dbraw/zinc/73/25/78/803732578.db2.gz WMYNHSLHMKILQQ-UHFFFAOYSA-N 1 1 276.767 3.463 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1cccnc1Cl ZINC001137427732 803732581 /nfs/dbraw/zinc/73/25/81/803732581.db2.gz WMYNHSLHMKILQQ-UHFFFAOYSA-N 1 1 276.767 3.463 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001137837303 803780327 /nfs/dbraw/zinc/78/03/27/803780327.db2.gz AMVSUCHOJXLSOO-CYBMUJFWSA-N 1 1 286.350 3.306 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001137837303 803780333 /nfs/dbraw/zinc/78/03/33/803780333.db2.gz AMVSUCHOJXLSOO-CYBMUJFWSA-N 1 1 286.350 3.306 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@H](O)C2)c(C)n1-c1ccccc1 ZINC001137854105 803784670 /nfs/dbraw/zinc/78/46/70/803784670.db2.gz INORWZNPAINJOV-SFHVURJKSA-N 1 1 284.403 3.051 20 10 CGCDMO Cc1c(C[N@@H+](C)C2CCN(C)CC2)c2ccccc2n1C ZINC001138252418 803880188 /nfs/dbraw/zinc/88/01/88/803880188.db2.gz GPNLPIMFICFLIO-UHFFFAOYSA-N 1 1 285.435 3.013 20 10 CGCDMO Cc1c(C[N@H+]2CCCC[C@@](C)(O)C2)c2ccccc2n1C ZINC001138252701 803881992 /nfs/dbraw/zinc/88/19/92/803881992.db2.gz QYKDIEOIZGKXSP-GOSISDBHSA-N 1 1 286.419 3.224 20 10 CGCDMO Cc1c(C[N@H+]2CCC[C@@H](N(C)C)C2)c2ccccc2n1C ZINC001138256732 803882713 /nfs/dbraw/zinc/88/27/13/803882713.db2.gz IRMINLZJYHMMII-OAHLLOKOSA-N 1 1 285.435 3.013 20 10 CGCDMO Cc1c(C[N@@H+]2CCC[C@@H](N(C)C)C2)c2ccccc2n1C ZINC001138256732 803882723 /nfs/dbraw/zinc/88/27/23/803882723.db2.gz IRMINLZJYHMMII-OAHLLOKOSA-N 1 1 285.435 3.013 20 10 CGCDMO Cc1c(C[N@@H+]2CCn3cccc3C2)c2ccccc2n1C ZINC001138257075 803882905 /nfs/dbraw/zinc/88/29/05/803882905.db2.gz UTDLDBSNBCXRGN-UHFFFAOYSA-N 1 1 279.387 3.304 20 10 CGCDMO Cc1c(C[N@H+]2CCn3cccc3C2)c2ccccc2n1C ZINC001138257075 803882916 /nfs/dbraw/zinc/88/29/16/803882916.db2.gz UTDLDBSNBCXRGN-UHFFFAOYSA-N 1 1 279.387 3.304 20 10 CGCDMO Cc1c(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c2ccccc2n1C ZINC001138253708 803882990 /nfs/dbraw/zinc/88/29/90/803882990.db2.gz DFULKMPVRYBICJ-DUVNUKRYSA-N 1 1 272.367 3.277 20 10 CGCDMO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1c(C)n(C)c2ccccc21 ZINC001138258337 803883576 /nfs/dbraw/zinc/88/35/76/803883576.db2.gz QNACOAHXQGNCFX-KRWDZBQOSA-N 1 1 284.403 3.430 20 10 CGCDMO CC(=O)[C@@H]1CCC[N@@H+]1Cc1c(C)n(C)c2ccccc21 ZINC001138259614 803885553 /nfs/dbraw/zinc/88/55/53/803885553.db2.gz LEEIOXBYWMQWHH-INIZCTEOSA-N 1 1 270.376 3.040 20 10 CGCDMO CC[N@@H+](Cc1nc2ccccc2n1C)Cc1ccccc1O ZINC001138380422 803910910 /nfs/dbraw/zinc/91/09/10/803910910.db2.gz DJIBNMFTAXWTBX-UHFFFAOYSA-N 1 1 295.386 3.301 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H]2C)c(OC)c1 ZINC001138386827 803913333 /nfs/dbraw/zinc/91/33/33/803913333.db2.gz XOHKXDGHCUHAAC-ZDUSSCGKSA-N 1 1 262.397 3.136 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2CF)c(OC)c1 ZINC001138391257 803914286 /nfs/dbraw/zinc/91/42/86/803914286.db2.gz DJWKTTABJLEINB-MRXNPFEDSA-N 1 1 294.414 3.475 20 10 CGCDMO CC[N@@H+](Cc1c(C)ccc(C)c1O)C1CCOCC1 ZINC001140179863 804395739 /nfs/dbraw/zinc/39/57/39/804395739.db2.gz QJUXFRKVQKZAON-UHFFFAOYSA-N 1 1 263.381 3.010 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@]3(CC3(F)F)C2)c1O ZINC001140181494 804395830 /nfs/dbraw/zinc/39/58/30/804395830.db2.gz CFIPBYAYJRJASU-AWEZNQCLSA-N 1 1 267.319 3.240 20 10 CGCDMO COCC[C@@H]1CCCC[N@H+]1Cc1c(C)ccc(C)c1O ZINC001140180472 804396169 /nfs/dbraw/zinc/39/61/69/804396169.db2.gz XIXOVIVEBMMNLC-HNNXBMFYSA-N 1 1 277.408 3.400 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCCC[C@@H](F)C1 ZINC001140338073 804417545 /nfs/dbraw/zinc/41/75/45/804417545.db2.gz UBZPJWVIPGXEPT-SNVBAGLBSA-N 1 1 257.736 3.370 20 10 CGCDMO Cc1ncccc1C[N@H+](C)Cc1ccc(Cl)cc1O ZINC001140464374 804441455 /nfs/dbraw/zinc/44/14/55/804441455.db2.gz MXSUCLSTZKVCTK-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)CC1 ZINC001140466067 804443922 /nfs/dbraw/zinc/44/39/22/804443922.db2.gz VYEAOLBMCLXSHV-ZDUSSCGKSA-N 1 1 269.772 3.047 20 10 CGCDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140467579 804444025 /nfs/dbraw/zinc/44/40/25/804444025.db2.gz YIAHGQSVGBCAJC-CYBMUJFWSA-N 1 1 269.772 3.047 20 10 CGCDMO Cc1ccc(O)c(C[NH+]2CC(Oc3ccccc3F)C2)c1 ZINC001140623068 804476623 /nfs/dbraw/zinc/47/66/23/804476623.db2.gz KZSXFOBJOABETP-UHFFFAOYSA-N 1 1 287.334 3.103 20 10 CGCDMO CCO[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140923430 804551119 /nfs/dbraw/zinc/55/11/19/804551119.db2.gz AFMXNQRTZZPQLI-HNNXBMFYSA-N 1 1 296.842 3.407 20 10 CGCDMO COCC[C@@H]1CCCC[N@H+]1Cc1ccc(C)cc1O ZINC001140949838 804556901 /nfs/dbraw/zinc/55/69/01/804556901.db2.gz MYVYKXRTPWBTOI-HNNXBMFYSA-N 1 1 263.381 3.092 20 10 CGCDMO CN1CCOc2cc(C[N@H+]3CCC[C@H]4CCC[C@H]43)ccc21 ZINC001141143525 804596543 /nfs/dbraw/zinc/59/65/43/804596543.db2.gz CHSKSPFUKXVADO-HZPDHXFCSA-N 1 1 286.419 3.280 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CCCc3ccccc3C2)c1 ZINC001141159246 804599679 /nfs/dbraw/zinc/59/96/79/804599679.db2.gz DOSOTBIXOZUPGJ-UHFFFAOYSA-N 1 1 269.344 3.046 20 10 CGCDMO C[N@@H+](CCc1cccc(F)c1)Cc1cc(F)c(F)cc1[O-] ZINC001142530819 804733124 /nfs/dbraw/zinc/73/31/24/804733124.db2.gz MEWINRVXVQSJSR-UHFFFAOYSA-N 1 1 295.304 3.484 20 10 CGCDMO C[N@H+](CCc1cccc(F)c1)Cc1cc(F)c(F)cc1O ZINC001142530819 804733129 /nfs/dbraw/zinc/73/31/29/804733129.db2.gz MEWINRVXVQSJSR-UHFFFAOYSA-N 1 1 295.304 3.484 20 10 CGCDMO C[N@@H+](CCc1cccc(F)c1)Cc1cc(F)c(F)cc1O ZINC001142530819 804733136 /nfs/dbraw/zinc/73/31/36/804733136.db2.gz MEWINRVXVQSJSR-UHFFFAOYSA-N 1 1 295.304 3.484 20 10 CGCDMO CN(CCC[NH+](C)C)Cc1cccc(C(C)(C)C)c1O ZINC001143104679 804802544 /nfs/dbraw/zinc/80/25/44/804802544.db2.gz XFDGVQSVQFGSKN-UHFFFAOYSA-N 1 1 278.440 3.073 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CCC[C@@H](CCO)C2)c1O ZINC001143110533 804803013 /nfs/dbraw/zinc/80/30/13/804803013.db2.gz IKMICKWDEYNUGA-AWEZNQCLSA-N 1 1 291.435 3.284 20 10 CGCDMO CC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143116781 804805627 /nfs/dbraw/zinc/80/56/27/804805627.db2.gz KTHOIGIVHNZZRO-HNNXBMFYSA-N 1 1 275.392 3.243 20 10 CGCDMO C[N@@H+](Cc1ccno1)Cc1cccc(C(C)(C)C)c1O ZINC001143116652 804806174 /nfs/dbraw/zinc/80/61/74/804806174.db2.gz HPMHONSNFHIPDN-UHFFFAOYSA-N 1 1 274.364 3.310 20 10 CGCDMO Cc1cc(C)c(C[NH2+]C2CCN(CC(C)C)CC2)c(O)c1 ZINC001258005777 807264102 /nfs/dbraw/zinc/26/41/02/807264102.db2.gz WEWXYXMYFNWRTE-UHFFFAOYSA-N 1 1 290.451 3.219 20 10 CGCDMO CCN(C)c1ccc(CN2C[C@H](C)[N@@H+](CC)C[C@H]2C)cc1 ZINC001168839531 807524572 /nfs/dbraw/zinc/52/45/72/807524572.db2.gz VDNBTPCYVSAKHI-JKSUJKDBSA-N 1 1 289.467 3.057 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+]2C[C@H](C)N(CC)C[C@H]2C)cc1 ZINC001168839531 807524576 /nfs/dbraw/zinc/52/45/76/807524576.db2.gz VDNBTPCYVSAKHI-JKSUJKDBSA-N 1 1 289.467 3.057 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2C[C@H](C)N(CC)C[C@H]2C)cc1 ZINC001168839531 807524581 /nfs/dbraw/zinc/52/45/81/807524581.db2.gz VDNBTPCYVSAKHI-JKSUJKDBSA-N 1 1 289.467 3.057 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@]3(CCCN(C)C3)C2)c1O ZINC001276080880 808987157 /nfs/dbraw/zinc/98/71/57/808987157.db2.gz WZCUMESLRFEIFW-SFHVURJKSA-N 1 1 288.435 3.008 20 10 CGCDMO Cc1cccc(C[N@@H+]2CCC[C@]3(CCCN(C)C3)C2)c1O ZINC001276080880 808987161 /nfs/dbraw/zinc/98/71/61/808987161.db2.gz WZCUMESLRFEIFW-SFHVURJKSA-N 1 1 288.435 3.008 20 10 CGCDMO CCOc1ccc(N2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001276925985 809045106 /nfs/dbraw/zinc/04/51/06/809045106.db2.gz KYQGLTQBEHVKDJ-QGZVFWFLSA-N 1 1 274.408 3.007 20 10 CGCDMO COc1ccc(N2CC3(C2)CC[N@H+](C2CCCC2)C3)cc1 ZINC001276926990 809045139 /nfs/dbraw/zinc/04/51/39/809045139.db2.gz KLQHQQKFNQXBDK-UHFFFAOYSA-N 1 1 286.419 3.150 20 10 CGCDMO Oc1ccc(F)cc1Nc1cc[nH+]cc1C(F)(F)F ZINC001174627403 809109035 /nfs/dbraw/zinc/10/90/35/809109035.db2.gz VJWKAXGONQGHHH-UHFFFAOYSA-N 1 1 272.201 3.111 20 10 CGCDMO CC1(C)C(C[NH2+]Cc2cc(F)c(F)cc2O)C1(C)C ZINC001181133821 810039542 /nfs/dbraw/zinc/03/95/42/810039542.db2.gz BEKYSNSZWDCLBY-UHFFFAOYSA-N 1 1 269.335 3.442 20 10 CGCDMO Cn1c[nH+]c2cc(NCc3cccc4nsnc43)ccc21 ZINC001201114878 811787002 /nfs/dbraw/zinc/78/70/02/811787002.db2.gz OTOAFPYXZKHNMX-UHFFFAOYSA-N 1 1 295.371 3.190 20 10 CGCDMO CCOc1ccccc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001203545324 812388883 /nfs/dbraw/zinc/38/88/83/812388883.db2.gz HUFCTLMWVVSJSQ-UHFFFAOYSA-N 1 1 283.371 3.349 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c1O ZINC001203589086 812401837 /nfs/dbraw/zinc/40/18/37/812401837.db2.gz DDKBHKMLNMISNN-STQMWFEESA-N 1 1 261.365 3.023 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)c1O ZINC001203609394 812405610 /nfs/dbraw/zinc/40/56/10/812405610.db2.gz QQJJSOQNUWKKEF-OAHLLOKOSA-N 1 1 298.386 3.175 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCC[C@]1(C)O ZINC001203650839 812415685 /nfs/dbraw/zinc/41/56/85/812415685.db2.gz FIHJXGXSJFROIO-ABAIWWIYSA-N 1 1 283.799 3.029 20 10 CGCDMO Oc1ccc(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)cc1O ZINC001203879522 812477745 /nfs/dbraw/zinc/47/77/45/812477745.db2.gz SQIDKBCETYKQIC-INIZCTEOSA-N 1 1 299.370 3.141 20 10 CGCDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(O)c(O)c2)cc1 ZINC001203879207 812478103 /nfs/dbraw/zinc/47/81/03/812478103.db2.gz GYNNDIZQXHPZTE-GFCCVEGCSA-N 1 1 287.359 3.299 20 10 CGCDMO C[N@@H+](CCCc1ccccc1)Cc1ccc(O)c(O)c1 ZINC001203878085 812478146 /nfs/dbraw/zinc/47/81/46/812478146.db2.gz AYEUIHUDDBLWMG-UHFFFAOYSA-N 1 1 271.360 3.162 20 10 CGCDMO CC[N@@H+](Cc1cccc(F)c1)Cc1ccc(O)c(O)c1 ZINC001203879223 812478860 /nfs/dbraw/zinc/47/88/60/812478860.db2.gz HAOWOOUKUWVQJQ-UHFFFAOYSA-N 1 1 275.323 3.259 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)cc1 ZINC001203931494 812494445 /nfs/dbraw/zinc/49/44/45/812494445.db2.gz RVOUWLVFKARUBD-LSDHHAIUSA-N 1 1 268.351 3.025 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@](C)(F)[C@@H](F)C2)cc1 ZINC001203931494 812494453 /nfs/dbraw/zinc/49/44/53/812494453.db2.gz RVOUWLVFKARUBD-LSDHHAIUSA-N 1 1 268.351 3.025 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)cc1 ZINC001203931491 812494597 /nfs/dbraw/zinc/49/45/97/812494597.db2.gz RVOUWLVFKARUBD-CABCVRRESA-N 1 1 268.351 3.025 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@](C)(F)[C@H](F)C2)cc1 ZINC001203931491 812494602 /nfs/dbraw/zinc/49/46/02/812494602.db2.gz RVOUWLVFKARUBD-CABCVRRESA-N 1 1 268.351 3.025 20 10 CGCDMO CC[N@@H+](Cc1ccc(NC(C)=O)cc1)Cc1ccccc1O ZINC001203930259 812495162 /nfs/dbraw/zinc/49/51/62/812495162.db2.gz WEUZHUQJWQHMFE-UHFFFAOYSA-N 1 1 298.386 3.373 20 10 CGCDMO CCC[N@@H+](CCOC)Cc1ccc(N(CC)CC)cc1 ZINC001203936058 812495863 /nfs/dbraw/zinc/49/58/63/812495863.db2.gz HWDUQPPNYSOLBU-UHFFFAOYSA-N 1 1 278.440 3.391 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)cc1 ZINC001203940578 812497785 /nfs/dbraw/zinc/49/77/85/812497785.db2.gz QLDZOTFKSYTXRD-AEFFLSMTSA-N 1 1 288.435 3.144 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCc3cccc(O)c3C2)cc1 ZINC001203937909 812498195 /nfs/dbraw/zinc/49/81/95/812498195.db2.gz YTTYFOVNMIFNJS-UHFFFAOYSA-N 1 1 282.387 3.017 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1ccnc3ccccc13)CC2 ZINC001204090237 812546739 /nfs/dbraw/zinc/54/67/39/812546739.db2.gz BUJOJRSDBRFLLI-UHFFFAOYSA-N 1 1 290.366 3.499 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)CCc2cccs2)c(O)c1 ZINC001204211421 812574615 /nfs/dbraw/zinc/57/46/15/812574615.db2.gz ASTMBNVVOWOSKJ-UHFFFAOYSA-N 1 1 291.416 3.445 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204235066 812582128 /nfs/dbraw/zinc/58/21/28/812582128.db2.gz FMPJGVLBIFTSLJ-HNNXBMFYSA-N 1 1 284.403 3.127 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)CCF)c2ccccc21 ZINC001204241019 812582859 /nfs/dbraw/zinc/58/28/59/812582859.db2.gz RLZLCHVQYRGXES-UHFFFAOYSA-N 1 1 260.356 3.307 20 10 CGCDMO C[C@@]1(O)CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204323747 812612570 /nfs/dbraw/zinc/61/25/70/812612570.db2.gz IVKIMTBRQUBQFD-GOSISDBHSA-N 1 1 288.435 3.024 20 10 CGCDMO FC[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204327511 812614293 /nfs/dbraw/zinc/61/42/93/812614293.db2.gz WRXMPURLTCTXHM-MRXNPFEDSA-N 1 1 276.399 3.468 20 10 CGCDMO CCO[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204326341 812614985 /nfs/dbraw/zinc/61/49/85/812614985.db2.gz GBFFRCFYMBLGAY-SFHVURJKSA-N 1 1 288.435 3.288 20 10 CGCDMO C[C@H]1C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C[C@H]1C ZINC001204769902 812730856 /nfs/dbraw/zinc/73/08/56/812730856.db2.gz XJNNIFHWDPQTMI-YPDHSMTDSA-N 1 1 258.409 3.354 20 10 CGCDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001205178582 812900975 /nfs/dbraw/zinc/90/09/75/812900975.db2.gz XCJIOPMNUNMOGU-RWGIFROESA-N 1 1 288.435 3.265 20 10 CGCDMO CC1=C(C)C[N@@H+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001205562817 813004643 /nfs/dbraw/zinc/00/46/43/813004643.db2.gz ZPWCQBYZNWRUHO-UHFFFAOYSA-N 1 1 253.292 3.213 20 10 CGCDMO CC1=C(C)C[N@H+](Cc2cc(F)c(F)cc2O)CC1 ZINC001205562817 813004646 /nfs/dbraw/zinc/00/46/46/813004646.db2.gz ZPWCQBYZNWRUHO-UHFFFAOYSA-N 1 1 253.292 3.213 20 10 CGCDMO CC1=C(C)C[N@@H+](Cc2cc(F)c(F)cc2O)CC1 ZINC001205562817 813004652 /nfs/dbraw/zinc/00/46/52/813004652.db2.gz ZPWCQBYZNWRUHO-UHFFFAOYSA-N 1 1 253.292 3.213 20 10 CGCDMO C[C@@H]1CC[C@@H](CN)[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001205831192 813101857 /nfs/dbraw/zinc/10/18/57/813101857.db2.gz WUMKLOWILQRCPT-HIFRSBDPSA-N 1 1 290.451 3.249 20 10 CGCDMO C[C@@H]1CC[C@@H](CN)[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001205831192 813101860 /nfs/dbraw/zinc/10/18/60/813101860.db2.gz WUMKLOWILQRCPT-HIFRSBDPSA-N 1 1 290.451 3.249 20 10 CGCDMO C[C@H]1CC[C@@H](CN)[N@@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001205841829 813103710 /nfs/dbraw/zinc/10/37/10/813103710.db2.gz LJAOBMZBDSQMAA-BBRMVZONSA-N 1 1 290.451 3.249 20 10 CGCDMO C[C@H]1CC[C@@H](C[NH3+])N(Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001205841829 813103721 /nfs/dbraw/zinc/10/37/21/813103721.db2.gz LJAOBMZBDSQMAA-BBRMVZONSA-N 1 1 290.451 3.249 20 10 CGCDMO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c([O-])c1 ZINC001206026507 813170562 /nfs/dbraw/zinc/17/05/62/813170562.db2.gz SNWRGLXTHINKHE-ZBFHGGJFSA-N 1 1 290.451 3.322 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c([O-])c1 ZINC001206026507 813170565 /nfs/dbraw/zinc/17/05/65/813170565.db2.gz SNWRGLXTHINKHE-ZBFHGGJFSA-N 1 1 290.451 3.322 20 10 CGCDMO CCc1cccc(C[N@H+]2C[C@H](C)OC3(CCCC3)C2)c1O ZINC001206544851 813347476 /nfs/dbraw/zinc/34/74/76/813347476.db2.gz OYAMISBWGROMCM-AWEZNQCLSA-N 1 1 289.419 3.488 20 10 CGCDMO CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c([O-])c1 ZINC001206639560 813382629 /nfs/dbraw/zinc/38/26/29/813382629.db2.gz DYIRCBNTBHDZQV-CQSZACIVSA-N 1 1 290.451 3.251 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c([O-])c1 ZINC001206639560 813382633 /nfs/dbraw/zinc/38/26/33/813382633.db2.gz DYIRCBNTBHDZQV-CQSZACIVSA-N 1 1 290.451 3.251 20 10 CGCDMO COc1cccc(CCC[N@H+]2CCc3cccc(O)c3C2)c1 ZINC001207573175 813598258 /nfs/dbraw/zinc/59/82/58/813598258.db2.gz YBCRKJZGQPHPRK-UHFFFAOYSA-N 1 1 297.398 3.392 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001209399029 814014458 /nfs/dbraw/zinc/01/44/58/814014458.db2.gz RQQWDKRNRSDLDD-QDMKHBRRSA-N 1 1 277.408 3.418 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCCC[C@H](O)C2)cc1 ZINC001209516332 814071570 /nfs/dbraw/zinc/07/15/70/814071570.db2.gz DJYSNROTJOXVTO-IBGZPJMESA-N 1 1 298.430 3.441 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001209518442 814072376 /nfs/dbraw/zinc/07/23/76/814072376.db2.gz LPFAYIOYTILVMN-INIZCTEOSA-N 1 1 284.403 3.315 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCn2cccc2C1 ZINC001231590375 818129969 /nfs/dbraw/zinc/12/99/69/818129969.db2.gz XAHCJZAZIKSBKK-UHFFFAOYSA-N 1 1 278.355 3.363 20 10 CGCDMO Cc1cccc(C[N@H+]2CCCC[C@H]2CN2CCCC2)c1O ZINC001231592335 818131265 /nfs/dbraw/zinc/13/12/65/818131265.db2.gz KJPOZSZQNZFRIC-KRWDZBQOSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1cccc(CN2CCCC[C@H]2C[NH+]2CCCC2)c1O ZINC001231592335 818131268 /nfs/dbraw/zinc/13/12/68/818131268.db2.gz KJPOZSZQNZFRIC-KRWDZBQOSA-N 1 1 288.435 3.151 20 10 CGCDMO CC(=O)c1ccc2c(c1)C[N@H+](Cc1cccc(C)c1O)CC2 ZINC001231593977 818131344 /nfs/dbraw/zinc/13/13/44/818131344.db2.gz QGYNJSJNZXGJOT-UHFFFAOYSA-N 1 1 295.382 3.462 20 10 CGCDMO Cc1cccc(C[N@H+]2CCCC(F)(F)[C@H](F)C2)c1O ZINC001231590849 818131396 /nfs/dbraw/zinc/13/13/96/818131396.db2.gz ISHRAILOSCNYJN-GFCCVEGCSA-N 1 1 273.298 3.270 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@H](C(F)F)C2)c1O ZINC001231592331 818132036 /nfs/dbraw/zinc/13/20/36/818132036.db2.gz KHRUSXRBTNXNGY-LBPRGKRZSA-N 1 1 255.308 3.178 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c(O)c1 ZINC001231841462 818186279 /nfs/dbraw/zinc/18/62/79/818186279.db2.gz BDBPRYUFECLRQR-RHSMWYFYSA-N 1 1 275.392 3.010 20 10 CGCDMO Cc1cc(C)c(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c(O)c1 ZINC001231848117 818187392 /nfs/dbraw/zinc/18/73/92/818187392.db2.gz HUWVSXAHILAXHH-UHFFFAOYSA-N 1 1 299.370 3.370 20 10 CGCDMO CC[N@H+]1CCN(Cc2cc(Cl)c(C)cc2O)C(C)(C)C1 ZINC001231870812 818194637 /nfs/dbraw/zinc/19/46/37/818194637.db2.gz AEYLCEWCWKQHEW-UHFFFAOYSA-N 1 1 296.842 3.270 20 10 CGCDMO Oc1c(C[N@H+]2CCOCC23CCC3)ccc2ccccc21 ZINC001231881629 818199419 /nfs/dbraw/zinc/19/94/19/818199419.db2.gz ZNAFWTKGFHDSBA-UHFFFAOYSA-N 1 1 283.371 3.300 20 10 CGCDMO Oc1c(C[N@@H+]2Cc3ccncc3C2)ccc2ccccc21 ZINC001231882823 818202784 /nfs/dbraw/zinc/20/27/84/818202784.db2.gz WGHNNIHFBVZWEV-UHFFFAOYSA-N 1 1 276.339 3.456 20 10 CGCDMO Oc1c(C[N@H+]2Cc3ccncc3C2)ccc2ccccc21 ZINC001231882823 818202790 /nfs/dbraw/zinc/20/27/90/818202790.db2.gz WGHNNIHFBVZWEV-UHFFFAOYSA-N 1 1 276.339 3.456 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CCc2cc(O)ccc2C1 ZINC001231910920 818209167 /nfs/dbraw/zinc/20/91/67/818209167.db2.gz VUSPZDJQUBTYTI-UHFFFAOYSA-N 1 1 289.762 3.310 20 10 CGCDMO Cc1cc(C[N@H+](C)Cc2ccccc2O)cc(C)n1 ZINC001232002257 818228396 /nfs/dbraw/zinc/22/83/96/818228396.db2.gz ZPFIJUKIYGBCLH-UHFFFAOYSA-N 1 1 256.349 3.036 20 10 CGCDMO CCCC[N@@H+](C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232198054 818274947 /nfs/dbraw/zinc/27/49/47/818274947.db2.gz GIWINFBIVSTFID-UHFFFAOYSA-N 1 1 296.842 3.409 20 10 CGCDMO CC[N@@H+](Cc1cccnc1)Cc1cc(Cl)c(O)cc1O ZINC001232267721 818298349 /nfs/dbraw/zinc/29/83/49/818298349.db2.gz KTUFUZSUJKOBMM-UHFFFAOYSA-N 1 1 292.766 3.168 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](OC(C)C)C2)cc1Cl ZINC001232269165 818299906 /nfs/dbraw/zinc/29/99/06/818299906.db2.gz SDDDQELACMZWEZ-GFCCVEGCSA-N 1 1 299.798 3.054 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c(O)c1 ZINC001232835663 818451627 /nfs/dbraw/zinc/45/16/27/818451627.db2.gz FJKRPUIIWHNRKI-UONOGXRCSA-N 1 1 274.408 3.080 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2O)C[C@@H]1C ZINC001232834854 818452436 /nfs/dbraw/zinc/45/24/36/818452436.db2.gz OSTUFCNUHJBBGJ-KGLIPLIRSA-N 1 1 276.424 3.326 20 10 CGCDMO CCC[N@@H+](Cc1ccc(N(C)C)cc1O)[C@H](C)CC ZINC001232835088 818452501 /nfs/dbraw/zinc/45/25/01/818452501.db2.gz VLPZUKJEVOGXBA-CYBMUJFWSA-N 1 1 264.413 3.469 20 10 CGCDMO Cc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cnc1C ZINC001233163264 818531245 /nfs/dbraw/zinc/53/12/45/818531245.db2.gz VPZQYKCIRJYUCM-UHFFFAOYSA-N 1 1 283.419 3.396 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@H]3OCC[C@H]32)c1 ZINC001233284223 818565681 /nfs/dbraw/zinc/56/56/81/818565681.db2.gz MNZYEERQJKCWRH-GDBMZVCRSA-N 1 1 275.392 3.053 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC001233283993 818566329 /nfs/dbraw/zinc/56/63/29/818566329.db2.gz DGCSKBXAOJLGHR-GOSISDBHSA-N 1 1 289.419 3.302 20 10 CGCDMO CC[N@@H+](CCC(=O)OC)Cc1cc(C(C)(C)C)ccc1O ZINC001233286802 818568643 /nfs/dbraw/zinc/56/86/43/818568643.db2.gz JGFFDUIVOHEQRD-UHFFFAOYSA-N 1 1 293.407 3.075 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@]23CCOC3)c1 ZINC001233286752 818568668 /nfs/dbraw/zinc/56/86/68/818568668.db2.gz HOJYLWIOIFDQDV-GOSISDBHSA-N 1 1 289.419 3.445 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@](C)(CF)C2)c1O ZINC001233287762 818570357 /nfs/dbraw/zinc/57/03/57/818570357.db2.gz GUJBAOYQDQFBKO-CQSZACIVSA-N 1 1 287.762 3.236 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC001233334698 818586362 /nfs/dbraw/zinc/58/63/62/818586362.db2.gz QJFPFLQNJXICBX-GFCCVEGCSA-N 1 1 290.313 3.055 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC001233334698 818586370 /nfs/dbraw/zinc/58/63/70/818586370.db2.gz QJFPFLQNJXICBX-GFCCVEGCSA-N 1 1 290.313 3.055 20 10 CGCDMO CSCC[N@H+](C)Cc1cccc(C(F)(F)F)c1O ZINC001233418974 818614845 /nfs/dbraw/zinc/61/48/45/818614845.db2.gz DQGLPILKZZMWNF-UHFFFAOYSA-N 1 1 279.327 3.206 20 10 CGCDMO CSCC[N@@H+](C)Cc1cccc(C(F)(F)F)c1O ZINC001233418974 818614852 /nfs/dbraw/zinc/61/48/52/818614852.db2.gz DQGLPILKZZMWNF-UHFFFAOYSA-N 1 1 279.327 3.206 20 10 CGCDMO C[N@H+](Cc1cccc(C(F)(F)F)c1O)[C@H]1CCCOC1 ZINC001233419633 818615106 /nfs/dbraw/zinc/61/51/06/818615106.db2.gz HCOIHQMZIJIJEY-NSHDSACASA-N 1 1 289.297 3.022 20 10 CGCDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1O)[C@H]1CCCOC1 ZINC001233419633 818615108 /nfs/dbraw/zinc/61/51/08/818615108.db2.gz HCOIHQMZIJIJEY-NSHDSACASA-N 1 1 289.297 3.022 20 10 CGCDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1O)CC1CC1 ZINC001233451218 818623602 /nfs/dbraw/zinc/62/36/02/818623602.db2.gz BXEHBTQAKTWKSU-UHFFFAOYSA-N 1 1 259.271 3.253 20 10 CGCDMO COCC[N@@H+](Cc1ccc(C(F)(F)F)cc1O)C(C)C ZINC001233454155 818623999 /nfs/dbraw/zinc/62/39/99/818623999.db2.gz IMPSGKPMTNAJBP-UHFFFAOYSA-N 1 1 291.313 3.268 20 10 CGCDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2cc(O)c(O)cc2O)cc1 ZINC001233485033 818624689 /nfs/dbraw/zinc/62/46/89/818624689.db2.gz GSZDIHCRUXSVMU-OAHLLOKOSA-N 1 1 299.370 3.449 20 10 CGCDMO CC(C)[N@@H+](Cc1ccccc1)Cc1cc(O)c(O)cc1O ZINC001233482260 818625727 /nfs/dbraw/zinc/62/57/27/818625727.db2.gz GXUPRGHNMHTTLI-UHFFFAOYSA-N 1 1 287.359 3.214 20 10 CGCDMO CSCC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1O ZINC001233455793 818625837 /nfs/dbraw/zinc/62/58/37/818625837.db2.gz YUPDBJXUWKNUAI-UHFFFAOYSA-N 1 1 279.327 3.206 20 10 CGCDMO Cn1cc(C[N@@H+](C)Cc2ccc(C(C)(C)C)cc2O)cn1 ZINC001235676388 819137103 /nfs/dbraw/zinc/13/71/03/819137103.db2.gz SABPTDIPVJNUQQ-UHFFFAOYSA-N 1 1 287.407 3.055 20 10 CGCDMO Nc1ccc(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)cc1 ZINC001235689695 819142065 /nfs/dbraw/zinc/14/20/65/819142065.db2.gz BJXQKLJXHFXABN-GOSISDBHSA-N 1 1 282.387 3.312 20 10 CGCDMO Nc1cccc2c1CC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001236363428 819436137 /nfs/dbraw/zinc/43/61/37/819436137.db2.gz LJKHHUMVDBXORP-UHFFFAOYSA-N 1 1 288.778 3.186 20 10 CGCDMO Cc1cccnc1O[C@@H]1CCC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001236537344 819527862 /nfs/dbraw/zinc/52/78/62/819527862.db2.gz VXYSCHOFETWHGU-QGZVFWFLSA-N 1 1 297.402 3.016 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCc3cccc(O)c3C2)n1 ZINC001236648112 819560234 /nfs/dbraw/zinc/56/02/34/819560234.db2.gz RZPMXGZYOYXGHA-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCc3cccc(O)c3C2)n1 ZINC001236648112 819560236 /nfs/dbraw/zinc/56/02/36/819560236.db2.gz RZPMXGZYOYXGHA-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](C)[C@H](C)C2)cc1OC ZINC001236749053 819590176 /nfs/dbraw/zinc/59/01/76/819590176.db2.gz FLCBEUFHTATAHZ-CHWSQXEVSA-N 1 1 293.407 3.277 20 10 CGCDMO CCc1ccc(C[N@H+]2CCCC[C@@H](F)C2)c(O)c1 ZINC001236783541 819593569 /nfs/dbraw/zinc/59/35/69/819593569.db2.gz LYCQBKAKNQXASI-CQSZACIVSA-N 1 1 251.345 3.279 20 10 CGCDMO CCc1ccc(C[N@H+]2Cc3ccc(OC)cc3C2)c(O)c1 ZINC001236787293 819594508 /nfs/dbraw/zinc/59/45/08/819594508.db2.gz ASTBPHWOHJONHI-UHFFFAOYSA-N 1 1 283.371 3.479 20 10 CGCDMO CCc1ccc(C[N@@H+](C)Cc2cccnc2C)c(O)c1 ZINC001236788855 819595114 /nfs/dbraw/zinc/59/51/14/819595114.db2.gz ROKSEJUJBHLEBL-UHFFFAOYSA-N 1 1 270.376 3.290 20 10 CGCDMO CCc1ccc(C[N@H+]2CC[C@@H](COCC3CC3)C2)c(O)c1 ZINC001236793495 819596661 /nfs/dbraw/zinc/59/66/61/819596661.db2.gz XBRNOYWORHAORA-MRXNPFEDSA-N 1 1 289.419 3.203 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC[C@@H](F)CC2)c(O)c1 ZINC001236807358 819601105 /nfs/dbraw/zinc/60/11/05/819601105.db2.gz GIGCWZCXYWKVMJ-GFCCVEGCSA-N 1 1 267.344 3.033 20 10 CGCDMO CC[C@@H]1CCC[N@H+]1Cc1ccc(OC)c(Cl)c1O ZINC001236805518 819601426 /nfs/dbraw/zinc/60/14/26/819601426.db2.gz AXIWMOYCOLZEDH-LLVKDONJSA-N 1 1 269.772 3.429 20 10 CGCDMO CC[C@@H]1CCC[N@@H+]1Cc1ccc(OC)c(Cl)c1O ZINC001236805518 819601422 /nfs/dbraw/zinc/60/14/22/819601422.db2.gz AXIWMOYCOLZEDH-LLVKDONJSA-N 1 1 269.772 3.429 20 10 CGCDMO COc1cc(C)c(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c(O)c1 ZINC001236809354 819603839 /nfs/dbraw/zinc/60/38/39/819603839.db2.gz VWCLJUMVQGASCF-RISCZKNCSA-N 1 1 297.345 3.186 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc3ccccc3cc2O)CCCO1 ZINC001236826172 819607276 /nfs/dbraw/zinc/60/72/76/819607276.db2.gz HRARPYYRCWAMJM-ZDUSSCGKSA-N 1 1 271.360 3.156 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001236826153 819608530 /nfs/dbraw/zinc/60/85/30/819608530.db2.gz HJBDQLPJFYJJTB-SFHVURJKSA-N 1 1 283.371 3.300 20 10 CGCDMO C[N@@H+](Cc1cc2ccccc2cc1O)[C@H]1CC[C@H](O)CC1 ZINC001236827497 819610129 /nfs/dbraw/zinc/61/01/29/819610129.db2.gz UHDXHZYFPKZZLY-QAQDUYKDSA-N 1 1 285.387 3.281 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2cc3ccccc3cc2O)C[C@H](C)N1C ZINC001236833845 819612722 /nfs/dbraw/zinc/61/27/22/819612722.db2.gz QMVGHLNKLQKESH-OKILXGFUSA-N 1 1 284.403 3.070 20 10 CGCDMO CC(C)c1ccc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c(O)c1 ZINC001237044363 819649609 /nfs/dbraw/zinc/64/96/09/819649609.db2.gz CIZZQVXRAGGHJV-WKILWMFISA-N 1 1 277.408 3.251 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(C)nc2)c(O)c1 ZINC001237047400 819650663 /nfs/dbraw/zinc/65/06/63/819650663.db2.gz WRKASWNMWWFIKR-UHFFFAOYSA-N 1 1 286.375 3.126 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCCC[C@H](F)C2)c(O)c1 ZINC001237050150 819652814 /nfs/dbraw/zinc/65/28/14/819652814.db2.gz QKNBRZDVKKKUQX-ZDUSSCGKSA-N 1 1 267.344 3.115 20 10 CGCDMO CC[N@H+](CCOC)Cc1c(O)ccc(Cl)c1Cl ZINC001237077095 819659979 /nfs/dbraw/zinc/65/99/79/819659979.db2.gz CNZQJEJAOYCVQB-UHFFFAOYSA-N 1 1 278.179 3.167 20 10 CGCDMO CC[N@@H+](CCOC)Cc1c(O)ccc(Cl)c1Cl ZINC001237077095 819659981 /nfs/dbraw/zinc/65/99/81/819659981.db2.gz CNZQJEJAOYCVQB-UHFFFAOYSA-N 1 1 278.179 3.167 20 10 CGCDMO C[C@]1(O)CCC[N@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237081544 819661717 /nfs/dbraw/zinc/66/17/17/819661717.db2.gz LURILQFZUNNXON-ZDUSSCGKSA-N 1 1 290.190 3.046 20 10 CGCDMO C[C@]1(O)CCC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237081544 819661720 /nfs/dbraw/zinc/66/17/20/819661720.db2.gz LURILQFZUNNXON-ZDUSSCGKSA-N 1 1 290.190 3.046 20 10 CGCDMO C[N@@H+](CCC1CC1)Cc1c(O)ccc(F)c1Cl ZINC001237131969 819674694 /nfs/dbraw/zinc/67/46/94/819674694.db2.gz ZDEUDSVREBVZBJ-UHFFFAOYSA-N 1 1 257.736 3.417 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+]1CC[C@H](Oc2ccncc2C)C1 ZINC001237490720 819764848 /nfs/dbraw/zinc/76/48/48/819764848.db2.gz AFSMKDBSWDBEFA-HNNXBMFYSA-N 1 1 298.386 3.057 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+]1CCc2ncc(Cl)cc2C1 ZINC001237491975 819764878 /nfs/dbraw/zinc/76/48/78/819764878.db2.gz NIYOLFGCYZEEGP-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCc2ncc(Cl)cc2C1 ZINC001237491975 819764881 /nfs/dbraw/zinc/76/48/81/819764881.db2.gz NIYOLFGCYZEEGP-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO COc1cc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)c(O)c(OC)c1 ZINC001237674406 819804622 /nfs/dbraw/zinc/80/46/22/819804622.db2.gz GIEIRGRSSMBENT-TXEJJXNPSA-N 1 1 279.380 3.172 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c1O ZINC001237690143 819807894 /nfs/dbraw/zinc/80/78/94/819807894.db2.gz MUCJPKJLLKMIFW-FZMZJTMJSA-N 1 1 293.794 3.155 20 10 CGCDMO [O-]c1c(Cl)cc(F)cc1C[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001237799241 819845592 /nfs/dbraw/zinc/84/55/92/819845592.db2.gz GAFNPVPLZJWMIJ-SCZZXKLOSA-N 1 1 291.700 3.272 20 10 CGCDMO CO[C@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2O)[C@@H](C)C1 ZINC001237945404 819890233 /nfs/dbraw/zinc/89/02/33/819890233.db2.gz ZMHVZMGPFKIFHM-ONGXEEELSA-N 1 1 287.762 3.184 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2O)[C@@H](C)C1 ZINC001237945404 819890245 /nfs/dbraw/zinc/89/02/45/819890245.db2.gz ZMHVZMGPFKIFHM-ONGXEEELSA-N 1 1 287.762 3.184 20 10 CGCDMO CC(C)O[C@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237950627 819891243 /nfs/dbraw/zinc/89/12/43/819891243.db2.gz YQNUQTLXRYLHHF-NSHDSACASA-N 1 1 287.762 3.184 20 10 CGCDMO CC(C)O[C@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237950627 819891249 /nfs/dbraw/zinc/89/12/49/819891249.db2.gz YQNUQTLXRYLHHF-NSHDSACASA-N 1 1 287.762 3.184 20 10 CGCDMO CC(C)O[C@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237950627 819891259 /nfs/dbraw/zinc/89/12/59/819891259.db2.gz YQNUQTLXRYLHHF-NSHDSACASA-N 1 1 287.762 3.184 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2cc(F)cc(C)c2O)cc1 ZINC001238065719 819922162 /nfs/dbraw/zinc/92/21/62/819922162.db2.gz ZQOBDSOGGOSTDF-UHFFFAOYSA-N 1 1 289.350 3.480 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2c(C)cc(OC)cc2O)CCS1 ZINC001474369886 937855458 /nfs/dbraw/zinc/85/54/58/937855458.db2.gz RANSWXYEWPOADD-ZDUSSCGKSA-N 1 1 281.421 3.037 20 10 CGCDMO Nc1ccc(C[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)cc1 ZINC001356083515 937152953 /nfs/dbraw/zinc/15/29/53/937152953.db2.gz QUFDNROSGJFUCT-FUHWJXTLSA-N 1 1 264.372 3.042 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)CC1CCC(O)CC1 ZINC001327547000 928678589 /nfs/dbraw/zinc/67/85/89/928678589.db2.gz QOTGNJJBNMHLMD-UHFFFAOYSA-N 1 1 277.408 3.155 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)c1O ZINC001140178408 931957355 /nfs/dbraw/zinc/95/73/55/931957355.db2.gz KXTFECYRJBUELE-GDBMZVCRSA-N 1 1 287.403 3.343 20 10 CGCDMO Cc1cc(O)c(CNCC2([NH+](C)C)CCCC2)c(Cl)c1 ZINC001461007057 937559007 /nfs/dbraw/zinc/55/90/07/937559007.db2.gz LMZBTOYELOEDDU-UHFFFAOYSA-N 1 1 296.842 3.318 20 10 CGCDMO CCC1([NH2+]Cc2cc(F)c(F)cc2O)CCCC1 ZINC001462258829 937628171 /nfs/dbraw/zinc/62/81/71/937628171.db2.gz LPYCJCUFQYWEND-UHFFFAOYSA-N 1 1 255.308 3.483 20 10 CGCDMO CC[C@H]1CN(C)CC[N@H+]1Cc1cc(C(C)C)ccc1O ZINC001462272987 937629248 /nfs/dbraw/zinc/62/92/48/937629248.db2.gz PYLZUDORVZAKKS-INIZCTEOSA-N 1 1 276.424 3.042 20 10 CGCDMO CC[C@H]1C[N@H+](C)CCN1Cc1cc(C(C)C)ccc1O ZINC001462272987 937629251 /nfs/dbraw/zinc/62/92/51/937629251.db2.gz PYLZUDORVZAKKS-INIZCTEOSA-N 1 1 276.424 3.042 20 10 CGCDMO CC[C@H]1C[N@@H+](C)CCN1Cc1cc(C(C)C)ccc1O ZINC001462272987 937629253 /nfs/dbraw/zinc/62/92/53/937629253.db2.gz PYLZUDORVZAKKS-INIZCTEOSA-N 1 1 276.424 3.042 20 10 CGCDMO CCC1(CC)C[NH+](Cc2cc(F)c(F)cc2O)C1 ZINC001308807626 933180841 /nfs/dbraw/zinc/18/08/41/933180841.db2.gz SCWRTLVBRBTTPO-UHFFFAOYSA-N 1 1 255.308 3.292 20 10 CGCDMO OCCCC[N@@H+](Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001319822360 933939038 /nfs/dbraw/zinc/93/90/38/933939038.db2.gz DASUNGGFOCMZJI-UHFFFAOYSA-N 1 1 288.435 3.024 20 10 CGCDMO CCN1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC001320118322 934003396 /nfs/dbraw/zinc/00/33/96/934003396.db2.gz IFUDMXRKGUSMIW-CVEARBPZSA-N 1 1 290.451 3.392 20 10 CGCDMO Cc1cc(O)c(C[N@H+](Cc2ccccc2)[C@H](C)CO)cc1C ZINC001320510329 934057622 /nfs/dbraw/zinc/05/76/22/934057622.db2.gz VRHJCGBWLMKXMY-MRXNPFEDSA-N 1 1 299.414 3.392 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)[C@H]2CC[C@@H](SC)C2)c1 ZINC001320637238 934077327 /nfs/dbraw/zinc/07/73/27/934077327.db2.gz LGBSDZYWFHOVTP-GXTWGEPZSA-N 1 1 281.421 3.117 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@H](C)O1 ZINC001323302696 934381997 /nfs/dbraw/zinc/38/19/97/934381997.db2.gz GJVNDQJDARVIAA-YJBOKZPZSA-N 1 1 288.435 3.286 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2CC[C@@]23CCOC3)cc1F ZINC001331544716 935390970 /nfs/dbraw/zinc/39/09/70/935390970.db2.gz HBKNVHDQPSUMQX-KRWDZBQOSA-N 1 1 292.398 3.037 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@]23CCOC3)cc1F ZINC001331544716 935390977 /nfs/dbraw/zinc/39/09/77/935390977.db2.gz HBKNVHDQPSUMQX-KRWDZBQOSA-N 1 1 292.398 3.037 20 10 CGCDMO Cc1ccc(CC[NH2+]Cc2ccc(Cl)cc2O)nc1 ZINC001474569463 937867483 /nfs/dbraw/zinc/86/74/83/937867483.db2.gz WYPRVIVTRSABQW-UHFFFAOYSA-N 1 1 276.767 3.081 20 10 CGCDMO COCC1CCC([NH2+]Cc2ccc(Cl)cc2O)CC1 ZINC001474579094 937868587 /nfs/dbraw/zinc/86/85/87/937868587.db2.gz UJBUYQSQIGYOOE-UHFFFAOYSA-N 1 1 283.799 3.340 20 10 CGCDMO C[C@H](C[NH2+]Cc1ccc(Cl)cc1O)c1ccncc1 ZINC001474659045 937873525 /nfs/dbraw/zinc/87/35/25/937873525.db2.gz VPNGWHSTZMEGQD-LLVKDONJSA-N 1 1 276.767 3.334 20 10 CGCDMO CC1(C)CCC(O)(C[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC001560542728 938262175 /nfs/dbraw/zinc/26/21/75/938262175.db2.gz QGQUNFQDBFUQSD-UHFFFAOYSA-N 1 1 299.361 3.091 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC001560628420 938267053 /nfs/dbraw/zinc/26/70/53/938267053.db2.gz JYNJQNYAQXLLGU-LBPRGKRZSA-N 1 1 291.782 3.148 20 10 CGCDMO Cc1ccc(C[N@H+]2CCCN(c3ccccc3)CC2)c(O)c1 ZINC001560648630 938268045 /nfs/dbraw/zinc/26/80/45/938268045.db2.gz RQRWMZFGDHTMCX-UHFFFAOYSA-N 1 1 296.414 3.413 20 10 CGCDMO CCC[N@@H+](Cc1c(O)cc(C)cc1Cl)CC(C)(C)O ZINC001560683440 938269049 /nfs/dbraw/zinc/26/90/49/938269049.db2.gz YTJWUIULLFCHHC-UHFFFAOYSA-N 1 1 285.815 3.337 20 10 CGCDMO CCC[N@@H+](Cc1cc(F)c(N(C)C)cc1F)C1CC1 ZINC001560707591 938271501 /nfs/dbraw/zinc/27/15/01/938271501.db2.gz OSWSCYZBIYMMAZ-UHFFFAOYSA-N 1 1 268.351 3.405 20 10 CGCDMO Oc1ccc2ccccc2c1CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000052087648 345098845 /nfs/dbraw/zinc/09/88/45/345098845.db2.gz MAPQHGZTDQVWKQ-MRXNPFEDSA-N 1 1 296.414 3.216 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@@H+]1CCCN2CCC[C@@H]2C1 ZINC000052087648 345098847 /nfs/dbraw/zinc/09/88/47/345098847.db2.gz MAPQHGZTDQVWKQ-MRXNPFEDSA-N 1 1 296.414 3.216 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCCN2CCC[C@@H]2C1 ZINC000052087648 345098849 /nfs/dbraw/zinc/09/88/49/345098849.db2.gz MAPQHGZTDQVWKQ-MRXNPFEDSA-N 1 1 296.414 3.216 20 10 CGCDMO COC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)c1ccc(C)o1 ZINC000080237536 345669151 /nfs/dbraw/zinc/66/91/51/345669151.db2.gz CTBDHOMRIHKDKC-HNNXBMFYSA-N 1 1 289.375 3.382 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1O ZINC000180424378 346254545 /nfs/dbraw/zinc/25/45/45/346254545.db2.gz NDMQFPFATKQHCL-IUODEOHRSA-N 1 1 296.842 3.269 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H]1CCSC1)c1ccc(F)cc1O ZINC000287746020 371700134 /nfs/dbraw/zinc/70/01/34/371700134.db2.gz ZABKQDWDMLYPDU-ZWNOBZJWSA-N 1 1 269.385 3.325 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(F)cc1O ZINC000159932500 372194705 /nfs/dbraw/zinc/19/47/05/372194705.db2.gz RVFNMFSVTNVUEV-PWSUYJOCSA-N 1 1 267.344 3.140 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000293733151 372464170 /nfs/dbraw/zinc/46/41/70/372464170.db2.gz WOCGSHHGIPCCFO-PSOPSSQASA-N 1 1 299.773 3.232 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000293973925 372542967 /nfs/dbraw/zinc/54/29/67/372542967.db2.gz QWUDVIHJTXLRLA-CQSZACIVSA-N 1 1 299.773 3.064 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000293973925 372542972 /nfs/dbraw/zinc/54/29/72/372542972.db2.gz QWUDVIHJTXLRLA-CQSZACIVSA-N 1 1 299.773 3.064 20 10 CGCDMO COC[C@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)c1ccco1 ZINC000294592450 372662206 /nfs/dbraw/zinc/66/22/06/372662206.db2.gz NENKKTVCNKXGCX-HNNXBMFYSA-N 1 1 288.391 3.131 20 10 CGCDMO Oc1c(Cl)cccc1CN1CCC([NH+]2CCCC2)CC1 ZINC000179670097 373902841 /nfs/dbraw/zinc/90/28/41/373902841.db2.gz SWYVWERVEROFAV-UHFFFAOYSA-N 1 1 294.826 3.106 20 10 CGCDMO Cn1cc(Cl)cc1C[N@@H+](C)Cc1cc(F)ccc1O ZINC000180266953 373985326 /nfs/dbraw/zinc/98/53/26/373985326.db2.gz XFTTVNKVKPCZGD-UHFFFAOYSA-N 1 1 282.746 3.155 20 10 CGCDMO CCCN(Cc1ccccc1O)c1[nH+]cnc2[nH]ccc21 ZINC000269398520 378216470 /nfs/dbraw/zinc/21/64/70/378216470.db2.gz WUTFJLKCHSIJGT-UHFFFAOYSA-N 1 1 282.347 3.080 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000271166012 378469296 /nfs/dbraw/zinc/46/92/96/378469296.db2.gz CHANHMNRAXIEJA-UHFFFAOYSA-N 1 1 271.282 3.395 20 10 CGCDMO CC[N@@H+](CCCO)Cc1cc(-c2ccccc2)ccc1O ZINC000271199090 378480281 /nfs/dbraw/zinc/48/02/81/378480281.db2.gz OSEDRNWQKWPQQV-UHFFFAOYSA-N 1 1 285.387 3.264 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2ccccn2)cc1C ZINC000273423643 378745900 /nfs/dbraw/zinc/74/59/00/378745900.db2.gz RKGGZNOGIAZOAQ-UHFFFAOYSA-N 1 1 256.349 3.036 20 10 CGCDMO Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3c[nH]nc32)c(O)c1 ZINC000273494466 378750240 /nfs/dbraw/zinc/75/02/40/378750240.db2.gz OVMGHKSGLCFHCS-FZMZJTMJSA-N 1 1 271.364 3.152 20 10 CGCDMO CCn1nc(C[N@@H+](C)Cc2ccccc2O)c2ccccc21 ZINC000274553028 378851064 /nfs/dbraw/zinc/85/10/64/378851064.db2.gz JBQSTEGIGONXBN-UHFFFAOYSA-N 1 1 295.386 3.394 20 10 CGCDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2c(O)ccc3ccccc32)C1 ZINC000285105779 380144641 /nfs/dbraw/zinc/14/46/41/380144641.db2.gz NUAKERLTVKCWOB-OKILXGFUSA-N 1 1 271.360 3.155 20 10 CGCDMO CC[C@H]([NH2+]Cc1c(C)nn(C)c1C)c1ccc(F)cc1O ZINC000286128852 380163752 /nfs/dbraw/zinc/16/37/52/380163752.db2.gz OLFFMTAYTWITLU-HNNXBMFYSA-N 1 1 291.370 3.123 20 10 CGCDMO CC[C@@H]([NH2+]CCCC(C)(C)CO)c1ccc(F)cc1O ZINC000286181047 380170385 /nfs/dbraw/zinc/17/03/85/380170385.db2.gz QUTUHBWREMCJDI-CQSZACIVSA-N 1 1 283.387 3.371 20 10 CGCDMO CC[C@H]([NH2+]CCCSC)c1ccc(F)cc1O ZINC000286202762 380173638 /nfs/dbraw/zinc/17/36/38/380173638.db2.gz RSZRKYQOEXGOPK-LBPRGKRZSA-N 1 1 257.374 3.325 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Cl)ccc1[O-] ZINC000363858966 382259163 /nfs/dbraw/zinc/25/91/63/382259163.db2.gz RWLRCNPBKKELEX-YUTCNCBUSA-N 1 1 294.826 3.323 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Cl)ccc1[O-] ZINC000363858966 382259171 /nfs/dbraw/zinc/25/91/71/382259171.db2.gz RWLRCNPBKKELEX-YUTCNCBUSA-N 1 1 294.826 3.323 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H]2CSC)c1O ZINC000093761028 392239287 /nfs/dbraw/zinc/23/92/87/392239287.db2.gz WFQYUMHWBVOWCZ-CYBMUJFWSA-N 1 1 281.421 3.118 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000133693521 392462966 /nfs/dbraw/zinc/46/29/66/392462966.db2.gz KXTIJVBEHLSGAW-HNNXBMFYSA-N 1 1 253.345 3.382 20 10 CGCDMO Oc1ccccc1C[N@@H+](CC1CCC1)C[C@H]1CCCO1 ZINC000173354485 392625793 /nfs/dbraw/zinc/62/57/93/392625793.db2.gz CJOJXNYMTSCKHI-MRXNPFEDSA-N 1 1 275.392 3.173 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000179558762 392702231 /nfs/dbraw/zinc/70/22/31/392702231.db2.gz SASJLZZYWJAZQG-KRWDZBQOSA-N 1 1 287.334 3.105 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](C)CC2)cc1OC ZINC000179441484 392702379 /nfs/dbraw/zinc/70/23/79/392702379.db2.gz TWZMVUDBRSQNOY-GFCCVEGCSA-N 1 1 279.380 3.031 20 10 CGCDMO Oc1ccccc1C[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000179568708 392703695 /nfs/dbraw/zinc/70/36/95/392703695.db2.gz LCRQRRHJVKZULJ-KRWDZBQOSA-N 1 1 287.334 3.105 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000179568708 392703700 /nfs/dbraw/zinc/70/37/00/392703700.db2.gz LCRQRRHJVKZULJ-KRWDZBQOSA-N 1 1 287.334 3.105 20 10 CGCDMO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000179584246 392703792 /nfs/dbraw/zinc/70/37/92/392703792.db2.gz QZQVRTNUCSUNSK-MRXNPFEDSA-N 1 1 270.376 3.458 20 10 CGCDMO CC[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000159801436 261194229 /nfs/dbraw/zinc/19/42/29/261194229.db2.gz IQWLGUFTMFBHAX-GFCCVEGCSA-N 1 1 279.380 3.031 20 10 CGCDMO COc1cc(O)c(C[N@@H+]([C@@H](C)C2CC2)C2CC2)cc1OC ZINC000159792649 261194307 /nfs/dbraw/zinc/19/43/07/261194307.db2.gz ZOOXLNFFIHNCRO-NSHDSACASA-N 1 1 291.391 3.172 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)C(C2CC2)C2CC2)cc1OC ZINC000160063944 261203436 /nfs/dbraw/zinc/20/34/36/261203436.db2.gz NBGPOWXUQQQITJ-UHFFFAOYSA-N 1 1 291.391 3.030 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccco2)cc1F ZINC000162151281 261271961 /nfs/dbraw/zinc/27/19/61/261271961.db2.gz QZEJPQFUCCHZIS-UHFFFAOYSA-N 1 1 262.328 3.117 20 10 CGCDMO CSC1(C[NH2+][C@@H](C)c2ccc(F)cc2O)CCOCC1 ZINC000186080934 262078170 /nfs/dbraw/zinc/07/81/70/262078170.db2.gz HREZPEWTGPFATA-NSHDSACASA-N 1 1 299.411 3.094 20 10 CGCDMO C[C@H]([NH2+]CCOCc1ccccc1)c1ccc(F)cc1O ZINC000185633080 262306661 /nfs/dbraw/zinc/30/66/61/262306661.db2.gz DGONKZHQYXRDKI-ZDUSSCGKSA-N 1 1 289.350 3.399 20 10 CGCDMO CC(C)(C)[C@@H](CCO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293581219 264959362 /nfs/dbraw/zinc/95/93/62/264959362.db2.gz JTIAPQDJSLUHJU-CYBMUJFWSA-N 1 1 289.778 3.071 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccc(N(C)C)cc1 ZINC000271511779 278383774 /nfs/dbraw/zinc/38/37/74/278383774.db2.gz NWNDCUZTYIPFEA-WBMJQRKESA-N 1 1 284.407 3.204 20 10 CGCDMO C[C@@H]([NH2+]CCc1ccccc1O)c1ccc(F)cc1O ZINC000185302894 327838044 /nfs/dbraw/zinc/83/80/44/327838044.db2.gz FOKJFNAEPOZIRP-LLVKDONJSA-N 1 1 275.323 3.130 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000377835660 329030897 /nfs/dbraw/zinc/03/08/97/329030897.db2.gz VPWSUHOYQXICLE-ZIAGYGMSSA-N 1 1 293.382 3.170 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000378631402 329057115 /nfs/dbraw/zinc/05/71/15/329057115.db2.gz GYYMLDIINPQRDU-ZDUSSCGKSA-N 1 1 269.772 3.047 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1O ZINC000180316694 329219611 /nfs/dbraw/zinc/21/96/11/329219611.db2.gz CNTHNFPJOGWXFA-IUODEOHRSA-N 1 1 295.810 3.355 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CC[C@H]1CCCOC1 ZINC000527741266 330282723 /nfs/dbraw/zinc/28/27/23/330282723.db2.gz ZUKDLHNOGNYILK-SNVBAGLBSA-N 1 1 287.762 3.091 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](CSC)C2)c1 ZINC000292874165 521142473 /nfs/dbraw/zinc/14/24/73/521142473.db2.gz WTTXNKMUDSLSNP-ZDUSSCGKSA-N 1 1 295.448 3.366 20 10 CGCDMO CO[C@]1(C)CCC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000279727118 521750504 /nfs/dbraw/zinc/75/05/04/521750504.db2.gz VJHVIJWDGLYCHC-MRXNPFEDSA-N 1 1 263.381 3.010 20 10 CGCDMO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc(F)ccc2O)[nH]1 ZINC000277340638 522437660 /nfs/dbraw/zinc/43/76/60/522437660.db2.gz UZLPDRDOJDNKEH-NXEZZACHSA-N 1 1 292.358 3.014 20 10 CGCDMO C[N@@H+](CCCn1ccnc1)Cc1c(O)ccc2ccccc21 ZINC000130596398 522805467 /nfs/dbraw/zinc/80/54/67/522805467.db2.gz AOWKYPGOFXVJIC-UHFFFAOYSA-N 1 1 295.386 3.264 20 10 CGCDMO C[C@@H](CN(C)C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000286988455 524571097 /nfs/dbraw/zinc/57/10/97/524571097.db2.gz JJYCBIIOYNGJKE-IUCAKERBSA-N 1 1 291.222 3.300 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](Cc2cccnc2)C2CC2)c1 ZINC000290549051 525338619 /nfs/dbraw/zinc/33/86/19/525338619.db2.gz RTASUFGLDNYUIN-UHFFFAOYSA-N 1 1 268.360 3.260 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCOC1)c1cc(Cl)c(Cl)cc1O ZINC000278336707 525391465 /nfs/dbraw/zinc/39/14/65/525391465.db2.gz XADDQEQNGAXICI-IUCAKERBSA-N 1 1 290.190 3.386 20 10 CGCDMO Cc1nc(C[NH2+]Cc2ccc3c(c2)CCCN3C)cs1 ZINC000050266785 526888676 /nfs/dbraw/zinc/88/86/76/526888676.db2.gz FYIHLKLYOWMFLB-UHFFFAOYSA-N 1 1 287.432 3.124 20 10 CGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)CC1CCOCC1 ZINC000733029705 572501159 /nfs/dbraw/zinc/50/11/59/572501159.db2.gz KSVVNUXIBIGISR-UHFFFAOYSA-N 1 1 290.451 3.390 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)CCS1 ZINC000743397644 572657096 /nfs/dbraw/zinc/65/70/96/572657096.db2.gz QGFIPZMMYWCFDZ-ZDUSSCGKSA-N 1 1 288.416 3.268 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC[C@H](CC(C)C)C2)cc1OC ZINC000160329278 617968686 /nfs/dbraw/zinc/96/86/86/617968686.db2.gz OZFSPOFGJRGFBF-CYBMUJFWSA-N 1 1 293.407 3.277 20 10 CGCDMO COc1ccc(C[N@@H+]([C@H](C)C(C)C)C2CC2)c(O)c1OC ZINC000891438894 618205527 /nfs/dbraw/zinc/20/55/27/618205527.db2.gz VSAOFBFFLLBTDD-GFCCVEGCSA-N 1 1 293.407 3.418 20 10 CGCDMO CCOc1ncccc1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000184985618 625286445 /nfs/dbraw/zinc/28/64/45/625286445.db2.gz QDCSPEWSHNEUKS-NSHDSACASA-N 1 1 290.338 3.176 20 10 CGCDMO CCC[C@@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000179325978 618776034 /nfs/dbraw/zinc/77/60/34/618776034.db2.gz YLFJSWHXEWHRCT-OAHLLOKOSA-N 1 1 276.424 3.144 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCCC[C@@H]2C(C)C)cc1OC ZINC000180276723 619014242 /nfs/dbraw/zinc/01/42/42/619014242.db2.gz ABPSVBAUYWTMLA-CQSZACIVSA-N 1 1 293.407 3.420 20 10 CGCDMO CSC[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000178341369 619018606 /nfs/dbraw/zinc/01/86/06/619018606.db2.gz ARAWGWMWDBZFLT-HNNXBMFYSA-N 1 1 277.433 3.208 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](CCCCO)C2CC2)cc1 ZINC000093383341 619191297 /nfs/dbraw/zinc/19/12/97/619191297.db2.gz XXQUBGZZWFPQNM-UHFFFAOYSA-N 1 1 290.451 3.270 20 10 CGCDMO Cc1cc(O)c(CN(C)CC[C@@H]2CCCC[N@@H+]2C)cc1C ZINC000093660002 619208648 /nfs/dbraw/zinc/20/86/48/619208648.db2.gz ROYBMFMLYFYWHX-KRWDZBQOSA-N 1 1 290.451 3.315 20 10 CGCDMO Cc1cc(O)c(CN(C)CC[C@@H]2CCCC[N@H+]2C)cc1C ZINC000093660002 619208649 /nfs/dbraw/zinc/20/86/49/619208649.db2.gz ROYBMFMLYFYWHX-KRWDZBQOSA-N 1 1 290.451 3.315 20 10 CGCDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2cc(F)cc(F)c2[O-])on1 ZINC000893994338 619345424 /nfs/dbraw/zinc/34/54/24/619345424.db2.gz DEGVGDHOWXFXLK-ZDUSSCGKSA-N 1 1 294.301 3.304 20 10 CGCDMO COc1ccc(C[N@@H+](C)C2(C)CCCC2)c(O)c1OC ZINC000894105269 619375626 /nfs/dbraw/zinc/37/56/26/619375626.db2.gz NWGYNRBUVRNADL-UHFFFAOYSA-N 1 1 279.380 3.174 20 10 CGCDMO COc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2C)c(O)c1OC ZINC000894314598 619487040 /nfs/dbraw/zinc/48/70/40/619487040.db2.gz AFQOHJSUBCPKJJ-JSGCOSHPSA-N 1 1 293.407 3.420 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000894532941 619565297 /nfs/dbraw/zinc/56/52/97/619565297.db2.gz LANYUVZXKZUOQU-HNNXBMFYSA-N 1 1 297.345 3.061 20 10 CGCDMO CCc1cccc(C[N@H+]2CCc3nc[nH]c3C23CCC3)c1O ZINC000895069510 619709516 /nfs/dbraw/zinc/70/95/16/619709516.db2.gz ZNNATLTYPCBTMR-UHFFFAOYSA-N 1 1 297.402 3.115 20 10 CGCDMO Cc1cc(O)c(CN2CCC(C)([NH+]3CCC3)CC2)cc1C ZINC000895670388 619869538 /nfs/dbraw/zinc/86/95/38/619869538.db2.gz FXWHVJKQGJLUSX-UHFFFAOYSA-N 1 1 288.435 3.069 20 10 CGCDMO Cc1cc(O)c(C[NH+]2CCC(C)(N3CCC3)CC2)cc1C ZINC000895670388 619869540 /nfs/dbraw/zinc/86/95/40/619869540.db2.gz FXWHVJKQGJLUSX-UHFFFAOYSA-N 1 1 288.435 3.069 20 10 CGCDMO C[C@H]1Cc2cc(C[N@H+]3Cc4cccc(O)c4C3)ccc2O1 ZINC000895784811 619885350 /nfs/dbraw/zinc/88/53/50/619885350.db2.gz MUHOUXJXRGWEET-LBPRGKRZSA-N 1 1 281.355 3.231 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCS[C@H](C(F)(F)F)C1 ZINC000896453950 620009113 /nfs/dbraw/zinc/00/91/13/620009113.db2.gz QXZYDYDQHARTNY-LBPRGKRZSA-N 1 1 291.338 3.180 20 10 CGCDMO Oc1ccc(F)cc1C[N@@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000896455885 620011926 /nfs/dbraw/zinc/01/19/26/620011926.db2.gz JTKPOUIWEAEVSJ-LLVKDONJSA-N 1 1 295.301 3.011 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000896455885 620011929 /nfs/dbraw/zinc/01/19/29/620011929.db2.gz JTKPOUIWEAEVSJ-LLVKDONJSA-N 1 1 295.301 3.011 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]Cc1cnc(C2CC2)s1 ZINC000896641019 620042481 /nfs/dbraw/zinc/04/24/81/620042481.db2.gz NVUZYQVGRRUEPL-UHFFFAOYSA-N 1 1 278.352 3.155 20 10 CGCDMO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000799351602 620294356 /nfs/dbraw/zinc/29/43/56/620294356.db2.gz CYNVRUNFMKWAIP-AAEUAGOBSA-N 1 1 287.762 3.232 20 10 CGCDMO CC1(C)C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)CCS1 ZINC000897788054 620431175 /nfs/dbraw/zinc/43/11/75/620431175.db2.gz AHHUIALALLEAMO-LLVKDONJSA-N 1 1 287.375 3.434 20 10 CGCDMO CCc1cccc(C[N@H+]2C[C@@H]3CSC[C@]3(C)C2)c1O ZINC000898420610 620585645 /nfs/dbraw/zinc/58/56/45/620585645.db2.gz ZBJXOBXNVZGGJL-ZBFHGGJFSA-N 1 1 277.433 3.140 20 10 CGCDMO Cc1cccc(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1O ZINC000898515894 620595520 /nfs/dbraw/zinc/59/55/20/620595520.db2.gz HJUWVPAJQNFUPB-DOTOQJQBSA-N 1 1 289.419 3.339 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)c1c(O)cccc1F ZINC000903255301 621643817 /nfs/dbraw/zinc/64/38/17/621643817.db2.gz XMQKQVNHETTXLG-NVBFEUDRSA-N 1 1 279.355 3.140 20 10 CGCDMO C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1c(O)cccc1F ZINC000903265128 621650735 /nfs/dbraw/zinc/65/07/35/621650735.db2.gz QFEIMRDPPRWSKQ-OBJOEFQTSA-N 1 1 281.371 3.123 20 10 CGCDMO C[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccc(F)cc1O ZINC000903280143 621660541 /nfs/dbraw/zinc/66/05/41/621660541.db2.gz BCRBCDICRWNSBZ-UUKUIKCLSA-N 1 1 279.355 3.140 20 10 CGCDMO C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1cc(Cl)c(Cl)cc1O ZINC000903393852 621719184 /nfs/dbraw/zinc/71/91/84/621719184.db2.gz URSWOILFMMDUHA-UBJUHAIHSA-N 1 1 290.190 3.385 20 10 CGCDMO CCN(CC)c1ccc(CN2CCC([NH3+])(CC)CC2)cc1 ZINC000903947085 621840456 /nfs/dbraw/zinc/84/04/56/621840456.db2.gz NQJWKHSFQFAMTK-UHFFFAOYSA-N 1 1 289.467 3.236 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H](c3ccn(C)n3)C2)c1 ZINC000905719603 622098668 /nfs/dbraw/zinc/09/86/68/622098668.db2.gz SPAJUHKBDNVVRJ-OAHLLOKOSA-N 1 1 299.418 3.122 20 10 CGCDMO COc1cc(C[N@H+](C)C2CCC(OC)CC2)c(O)cc1C ZINC000768444351 625539093 /nfs/dbraw/zinc/53/90/93/625539093.db2.gz AFTYOWZTJKMLTI-UHFFFAOYSA-N 1 1 293.407 3.099 20 10 CGCDMO C[C@H](NCC1([NH+](C)C)CCCC1)c1ccc(N(C)C)cc1 ZINC000149424809 622304253 /nfs/dbraw/zinc/30/42/53/622304253.db2.gz LLFBIFGOCXYKHT-HNNXBMFYSA-N 1 1 289.467 3.278 20 10 CGCDMO COc1ccc(C)[nH+]c1NCc1cc(C)c(C)cc1O ZINC000150983457 622714029 /nfs/dbraw/zinc/71/40/29/622714029.db2.gz QEWAUHUNPVGFPP-UHFFFAOYSA-N 1 1 272.348 3.333 20 10 CGCDMO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000164099395 622816070 /nfs/dbraw/zinc/81/60/70/622816070.db2.gz NTPZZYPGMBXWRL-OLZOCXBDSA-N 1 1 271.360 3.155 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCS[C@H](C(C)C)C2)c1O ZINC000164427268 622834647 /nfs/dbraw/zinc/83/46/47/622834647.db2.gz SBAOCYHRXQAVNB-HNNXBMFYSA-N 1 1 295.448 3.283 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)c1O ZINC000224711517 622882910 /nfs/dbraw/zinc/88/29/10/622882910.db2.gz BQXUHCCWEFMTAY-QWRGUYRKSA-N 1 1 279.355 3.354 20 10 CGCDMO CCN(Cc1ccccc1)c1ccc(C[N@@H+](C)CCO)cc1 ZINC000157726773 622942102 /nfs/dbraw/zinc/94/21/02/622942102.db2.gz QXYFKCFZGVEUBG-UHFFFAOYSA-N 1 1 298.430 3.137 20 10 CGCDMO C[C@@H](C1CC1)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000158050533 622996115 /nfs/dbraw/zinc/99/61/15/622996115.db2.gz HVYQGYISBJLOLB-NSHDSACASA-N 1 1 250.361 3.122 20 10 CGCDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000172927562 623294809 /nfs/dbraw/zinc/29/48/09/623294809.db2.gz VKFSHZBJERGOJV-GFCCVEGCSA-N 1 1 297.354 3.068 20 10 CGCDMO CCC(CC)[C@H](CNCc1ccc(OC)c(C)c1)[NH+](C)C ZINC000035258594 623423348 /nfs/dbraw/zinc/42/33/48/623423348.db2.gz CXSJJZFHCCHKCC-KRWDZBQOSA-N 1 1 292.467 3.460 20 10 CGCDMO Cc1n[nH]cc1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000154730659 624348133 /nfs/dbraw/zinc/34/81/33/624348133.db2.gz JSCMAVQPPBPKFZ-UHFFFAOYSA-N 1 1 297.358 3.219 20 10 CGCDMO Cc1n[nH]cc1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000154730659 624348137 /nfs/dbraw/zinc/34/81/37/624348137.db2.gz JSCMAVQPPBPKFZ-UHFFFAOYSA-N 1 1 297.358 3.219 20 10 CGCDMO CCSCC[C@H](C)[N@@H+](C)Cc1cc(F)ccc1O ZINC000180250748 624730507 /nfs/dbraw/zinc/73/05/07/624730507.db2.gz ZZOJLXQVFNHAHZ-NSHDSACASA-N 1 1 271.401 3.495 20 10 CGCDMO CS[C@@H]1CCCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000180763298 624771555 /nfs/dbraw/zinc/77/15/55/624771555.db2.gz ATNAWHLRBGGSLB-CQSZACIVSA-N 1 1 265.422 3.418 20 10 CGCDMO CCN(CC)c1ccc(C[NH2+]Cc2cscn2)cc1 ZINC000070167798 624971801 /nfs/dbraw/zinc/97/18/01/624971801.db2.gz GHIJVNBXUBXUMZ-UHFFFAOYSA-N 1 1 275.421 3.279 20 10 CGCDMO CC(=O)c1cc(F)cc(C[NH+]2C[C@@H](C)S[C@H](C)C2)c1O ZINC000070384277 625002868 /nfs/dbraw/zinc/00/28/68/625002868.db2.gz GTUWJBWVJLJQAT-NXEZZACHSA-N 1 1 297.395 3.060 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCCCC[C@@H]2C)c1O ZINC000070410625 625005643 /nfs/dbraw/zinc/00/56/43/625005643.db2.gz TVVRRCXNDFSLIZ-NSHDSACASA-N 1 1 279.355 3.498 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCCCC[C@@H]2C)c1O ZINC000070410625 625005647 /nfs/dbraw/zinc/00/56/47/625005647.db2.gz TVVRRCXNDFSLIZ-NSHDSACASA-N 1 1 279.355 3.498 20 10 CGCDMO CCC(CC)(C[NH2+][C@@H](C)c1ccc(F)cc1O)C(=O)OC ZINC000183875989 625161110 /nfs/dbraw/zinc/16/11/10/625161110.db2.gz FFHAXHLEMNZTPW-NSHDSACASA-N 1 1 297.370 3.161 20 10 CGCDMO Cc1cnc(Cl)c(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000921651959 625807703 /nfs/dbraw/zinc/80/77/03/625807703.db2.gz VIJXRFJDXSASNO-UHFFFAOYSA-N 1 1 288.778 3.268 20 10 CGCDMO CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756396217 625961793 /nfs/dbraw/zinc/96/17/93/625961793.db2.gz HUWONPOXIVGMBR-LBPRGKRZSA-N 1 1 284.831 3.427 20 10 CGCDMO CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756396217 625961794 /nfs/dbraw/zinc/96/17/94/625961794.db2.gz HUWONPOXIVGMBR-LBPRGKRZSA-N 1 1 284.831 3.427 20 10 CGCDMO c1ccc2c(C[NH2+]Cc3ccc4c(c3)CCCO4)noc2c1 ZINC000922226456 625986984 /nfs/dbraw/zinc/98/69/84/625986984.db2.gz JXNMFQGWYAWHBK-UHFFFAOYSA-N 1 1 294.354 3.443 20 10 CGCDMO CO[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C12CCC2 ZINC000839180764 626326580 /nfs/dbraw/zinc/32/65/80/626326580.db2.gz WIGRSAWDPJOVIG-KGLIPLIRSA-N 1 1 299.773 3.232 20 10 CGCDMO CN1CCN(c2ccc(C[NH2+][C@]3(C)CC=CCC3)cc2)CC1 ZINC000839191861 626328753 /nfs/dbraw/zinc/32/87/53/626328753.db2.gz KYSLVCGUYBSWMJ-LJQANCHMSA-N 1 1 299.462 3.027 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000751940872 626411982 /nfs/dbraw/zinc/41/19/82/626411982.db2.gz OEJLATPTLYQJQT-CQSZACIVSA-N 1 1 263.381 3.045 20 10 CGCDMO COc1ccc([N@H+](CC[C@H]2CCOC2=O)CC(C)C)cc1 ZINC000753844691 626467630 /nfs/dbraw/zinc/46/76/30/626467630.db2.gz WHPNFUDOVFBJLK-AWEZNQCLSA-N 1 1 291.391 3.111 20 10 CGCDMO COc1ccc([N@@H+](CC[C@H]2CCOC2=O)CC(C)C)cc1 ZINC000753844691 626467632 /nfs/dbraw/zinc/46/76/32/626467632.db2.gz WHPNFUDOVFBJLK-AWEZNQCLSA-N 1 1 291.391 3.111 20 10 CGCDMO CC[N@@H+](CCC(F)(F)F)Cc1cc(C)cc(OC)c1O ZINC000754730706 626585064 /nfs/dbraw/zinc/58/50/64/626585064.db2.gz WRVOQIMLZUACRP-UHFFFAOYSA-N 1 1 291.313 3.484 20 10 CGCDMO CC[C@H](C)C[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000755943504 626663112 /nfs/dbraw/zinc/66/31/12/626663112.db2.gz JHMZOTNYKKFRFJ-NSHDSACASA-N 1 1 299.798 3.067 20 10 CGCDMO CC[C@H](C)C[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000755943504 626663113 /nfs/dbraw/zinc/66/31/13/626663113.db2.gz JHMZOTNYKKFRFJ-NSHDSACASA-N 1 1 299.798 3.067 20 10 CGCDMO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)N1CCCC[C@@H]1C ZINC000756413082 626703161 /nfs/dbraw/zinc/70/31/61/626703161.db2.gz XLIADZQXDMGICS-MJBXVCDLSA-N 1 1 294.414 3.445 20 10 CGCDMO CC[N@H+](CCN[C@H](C)c1ccc(C)cc1O)C(C)C ZINC000756526928 626712407 /nfs/dbraw/zinc/71/24/07/626712407.db2.gz UPJHBHDNTTUBJR-CQSZACIVSA-N 1 1 264.413 3.082 20 10 CGCDMO CC[N@@H+](CCN[C@H](C)c1ccc(C)cc1O)C(C)C ZINC000756526928 626712410 /nfs/dbraw/zinc/71/24/10/626712410.db2.gz UPJHBHDNTTUBJR-CQSZACIVSA-N 1 1 264.413 3.082 20 10 CGCDMO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)c1ccncc1 ZINC000756636377 626722655 /nfs/dbraw/zinc/72/26/55/626722655.db2.gz XDBNYXZEVPHQRN-RYUDHWBXSA-N 1 1 274.339 3.381 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CC2(O)CCC2)cc1F ZINC000761220791 627025983 /nfs/dbraw/zinc/02/59/83/627025983.db2.gz YBKLJIQFTWVLJR-UHFFFAOYSA-N 1 1 294.414 3.019 20 10 CGCDMO COc1ccc2c(c1)CCCN2CCCn1cc[nH+]c1C ZINC000762920321 627132349 /nfs/dbraw/zinc/13/23/49/627132349.db2.gz VAAPOWAXDSJORR-UHFFFAOYSA-N 1 1 285.391 3.043 20 10 CGCDMO COc1cc(O)c(C[N@H+]2Cc3ccccc3[C@@H]2C)cc1OC ZINC000768465301 627481058 /nfs/dbraw/zinc/48/10/58/627481058.db2.gz GDSUWYHLKPFALK-LBPRGKRZSA-N 1 1 299.370 3.486 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H]1c1cc(C)no1 ZINC000768879802 627505740 /nfs/dbraw/zinc/50/57/40/627505740.db2.gz YFMAGFCFDKOXCL-ZDUSSCGKSA-N 1 1 288.347 3.034 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](C)[C@H]2C)c1 ZINC000769223757 627531874 /nfs/dbraw/zinc/53/18/74/627531874.db2.gz QRHRICJUCBDKJB-CHWSQXEVSA-N 1 1 263.381 3.411 20 10 CGCDMO CCCC[N@@H+](CCOC)Cc1c(O)cccc1Cl ZINC000769389812 627547607 /nfs/dbraw/zinc/54/76/07/627547607.db2.gz PVBYGCSQUZJDPU-UHFFFAOYSA-N 1 1 271.788 3.294 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](c3ccco3)C2)cc1F ZINC000769390171 627547993 /nfs/dbraw/zinc/54/79/93/627547993.db2.gz RBSVQEMPKHOVFN-CQSZACIVSA-N 1 1 288.366 3.474 20 10 CGCDMO C[C@@H]1CCCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769404102 627549520 /nfs/dbraw/zinc/54/95/20/627549520.db2.gz JAQWLMSGTCTSOH-MRXNPFEDSA-N 1 1 288.435 3.288 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](C)CC[C@H]2C)c1 ZINC000769445158 627553046 /nfs/dbraw/zinc/55/30/46/627553046.db2.gz FRNHKWSXNXSIOF-CHWSQXEVSA-N 1 1 263.381 3.411 20 10 CGCDMO CCC[C@@H]1CCC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000769503778 627560562 /nfs/dbraw/zinc/56/05/62/627560562.db2.gz LVXZXFBFNSFFFG-CYBMUJFWSA-N 1 1 263.381 3.413 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000769548616 627565153 /nfs/dbraw/zinc/56/51/53/627565153.db2.gz IZCGTDMFPLHALJ-NVXWUHKLSA-N 1 1 293.407 3.036 20 10 CGCDMO Oc1ccccc1C[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000770505337 627623992 /nfs/dbraw/zinc/62/39/92/627623992.db2.gz QHTWDTIAVNRUEX-UHFFFAOYSA-N 1 1 275.298 3.229 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000770505337 627623996 /nfs/dbraw/zinc/62/39/96/627623996.db2.gz QHTWDTIAVNRUEX-UHFFFAOYSA-N 1 1 275.298 3.229 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)Cc2ccccc2)c(O)c1 ZINC000771927146 627745716 /nfs/dbraw/zinc/74/57/16/627745716.db2.gz HJZSDZAUFCCFJV-UHFFFAOYSA-N 1 1 271.360 3.423 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000773766751 627914163 /nfs/dbraw/zinc/91/41/63/627914163.db2.gz VFLSMDYGVCQCTD-SJLPKXTDSA-N 1 1 288.435 3.144 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000773804951 627916751 /nfs/dbraw/zinc/91/67/51/627916751.db2.gz FGVUJEZMDLSQRY-SJORKVTESA-N 1 1 288.435 3.001 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000773821112 627916789 /nfs/dbraw/zinc/91/67/89/627916789.db2.gz SGBOIHVMGBIDJZ-INIZCTEOSA-N 1 1 258.409 3.375 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCOC1)c1cc(Cl)c(Cl)cc1O ZINC000774269218 627970719 /nfs/dbraw/zinc/97/07/19/627970719.db2.gz JVTBDXSYKCJWBZ-SFYZADRCSA-N 1 1 276.163 3.139 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1nccn1C ZINC000775379395 628087056 /nfs/dbraw/zinc/08/70/56/628087056.db2.gz CVXMKCSHGUUIDV-OAHLLOKOSA-N 1 1 298.434 3.261 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2cccc(C)c2O)cc1F ZINC000775644769 628118889 /nfs/dbraw/zinc/11/88/89/628118889.db2.gz UDKKDIJBYMHEMW-UHFFFAOYSA-N 1 1 289.350 3.480 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCCCO2)c1O ZINC000775661958 628122022 /nfs/dbraw/zinc/12/20/22/628122022.db2.gz SJFVAKNJDIGEEB-AWEZNQCLSA-N 1 1 283.799 3.355 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCCc3sccc3C2)c1 ZINC000775689440 628126677 /nfs/dbraw/zinc/12/66/77/628126677.db2.gz IYHVWRQNUYIJCH-UHFFFAOYSA-N 1 1 289.400 3.411 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H]2CC)c(O)c1 ZINC000775997563 628156874 /nfs/dbraw/zinc/15/68/74/628156874.db2.gz BEHIRCIVPCVMBX-WFASDCNBSA-N 1 1 263.381 3.411 20 10 CGCDMO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1ccccc1O ZINC000779511596 628416055 /nfs/dbraw/zinc/41/60/55/628416055.db2.gz TWHYEQFEAXMTRD-KRWDZBQOSA-N 1 1 285.387 3.165 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](OC(F)F)C2)cc1C ZINC000781150445 628540889 /nfs/dbraw/zinc/54/08/89/628540889.db2.gz DOVKTMQXTNDWDW-CYBMUJFWSA-N 1 1 285.334 3.213 20 10 CGCDMO C[C@H]1CC[C@]2(CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000781586251 628575960 /nfs/dbraw/zinc/57/59/60/628575960.db2.gz KIOBZQZLUUOAFE-SJCJKPOMSA-N 1 1 289.375 3.133 20 10 CGCDMO C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000781586252 628576122 /nfs/dbraw/zinc/57/61/22/628576122.db2.gz KIOBZQZLUUOAFE-SJKOYZFVSA-N 1 1 289.375 3.133 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cc1C ZINC000783539365 628723420 /nfs/dbraw/zinc/72/34/20/628723420.db2.gz BPUSRZIZVQMGQL-MELADBBJSA-N 1 1 263.381 3.007 20 10 CGCDMO Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)CN(C)C)c(O)c1 ZINC000788498254 629059557 /nfs/dbraw/zinc/05/95/57/629059557.db2.gz MGXBSRMFSKXLCF-AWEZNQCLSA-N 1 1 278.440 3.247 20 10 CGCDMO CSC1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000788524912 629062381 /nfs/dbraw/zinc/06/23/81/629062381.db2.gz YVYYLZADSCWKJE-UHFFFAOYSA-N 1 1 275.776 3.170 20 10 CGCDMO CCC[C@H](O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788593479 629067583 /nfs/dbraw/zinc/06/75/83/629067583.db2.gz PXYATITUTQIQEA-UWVGGRQHSA-N 1 1 291.313 3.223 20 10 CGCDMO COc1cc(O)c(C[N@H+]2C[C@H](C)C[C@H](C)[C@H]2C)cc1OC ZINC000789586379 629148146 /nfs/dbraw/zinc/14/81/46/629148146.db2.gz NGHSHBJAHVDBQA-FRRDWIJNSA-N 1 1 293.407 3.276 20 10 CGCDMO C[C@@H]1C[C@H](C)[N@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862350907 629346566 /nfs/dbraw/zinc/34/65/66/629346566.db2.gz IUXUXMVUNWWEKJ-AOOOYVTPSA-N 1 1 254.324 3.014 20 10 CGCDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862350907 629346574 /nfs/dbraw/zinc/34/65/74/629346574.db2.gz IUXUXMVUNWWEKJ-AOOOYVTPSA-N 1 1 254.324 3.014 20 10 CGCDMO COCC[N@@H+](Cc1cc(OC)ccc1O)[C@H]1CC[C@H](C)C1 ZINC000792192386 629346753 /nfs/dbraw/zinc/34/67/53/629346753.db2.gz JITBDRNZXVXHFD-ZFWWWQNUSA-N 1 1 293.407 3.038 20 10 CGCDMO CC(C)[N@@H+](Cc1cc(F)c(N(C)C)cc1F)[C@H]1CCOC1 ZINC000862372729 629356222 /nfs/dbraw/zinc/35/62/22/629356222.db2.gz RPHSWZOEUHDIOV-ZDUSSCGKSA-N 1 1 298.377 3.030 20 10 CGCDMO COc1cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000862443028 629375991 /nfs/dbraw/zinc/37/59/91/629375991.db2.gz KRMGDJVHQUZZQG-TXEJJXNPSA-N 1 1 275.392 3.150 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCOC[C@H](C3CCC3)C2)cc1C ZINC000793743050 629499990 /nfs/dbraw/zinc/49/99/90/629499990.db2.gz NUPIMFBNWBEXIZ-QGZVFWFLSA-N 1 1 289.419 3.258 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC2(C)CC2)c1 ZINC000794826303 629582168 /nfs/dbraw/zinc/58/21/68/629582168.db2.gz AXBBGEKWMBATOB-NSHDSACASA-N 1 1 277.364 3.020 20 10 CGCDMO Oc1ccccc1C[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000797468018 629950436 /nfs/dbraw/zinc/95/04/36/629950436.db2.gz GMRZFEWHUQEVOA-UHFFFAOYSA-N 1 1 285.240 3.238 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC000798962668 630129138 /nfs/dbraw/zinc/12/91/38/630129138.db2.gz OODSUMRSHLXPJR-CQSZACIVSA-N 1 1 268.360 3.085 20 10 CGCDMO CCc1nocc1C[N@@H+](C)Cc1c(O)ccc2ccncc21 ZINC000840089306 630587978 /nfs/dbraw/zinc/58/79/78/630587978.db2.gz KQOZPKSHFKIKJI-UHFFFAOYSA-N 1 1 297.358 3.123 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000840095177 630590655 /nfs/dbraw/zinc/59/06/55/630590655.db2.gz OHUUHBDNBRFFGZ-ROUUACIJSA-N 1 1 287.403 3.152 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@](C)(F)C2)c1O ZINC000840098637 630592366 /nfs/dbraw/zinc/59/23/66/630592366.db2.gz DSOAWFFCHDXJGD-HNNXBMFYSA-N 1 1 267.344 3.033 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)CC1(C)C ZINC000840125815 630607977 /nfs/dbraw/zinc/60/79/77/630607977.db2.gz IZPIZGOKMBLGMQ-QGZVFWFLSA-N 1 1 289.419 3.128 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H](O)C(C)(C)C)cc1 ZINC000808706747 630667855 /nfs/dbraw/zinc/66/78/55/630667855.db2.gz STMGGDJLKSVUHC-QGZVFWFLSA-N 1 1 292.467 3.372 20 10 CGCDMO Cc1ccc2c(c1)C[N@@H+](Cc1cccc(F)c1O)CCO2 ZINC000809703148 630787047 /nfs/dbraw/zinc/78/70/47/630787047.db2.gz FVYNXDSQUIQATB-UHFFFAOYSA-N 1 1 287.334 3.234 20 10 CGCDMO Cc1ccc2c(c1)C[N@H+](Cc1cccc(F)c1O)CCO2 ZINC000809703148 630787051 /nfs/dbraw/zinc/78/70/51/630787051.db2.gz FVYNXDSQUIQATB-UHFFFAOYSA-N 1 1 287.334 3.234 20 10 CGCDMO CCN(CC)c1ccc(CN(C)CC[N@@H+](C)C2CC2)cc1 ZINC000809754381 630800899 /nfs/dbraw/zinc/80/08/99/630800899.db2.gz JNZIEKUNJSLUCL-UHFFFAOYSA-N 1 1 289.467 3.059 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+](C)CCN(C)C2CC2)cc1 ZINC000809754381 630800904 /nfs/dbraw/zinc/80/09/04/630800904.db2.gz JNZIEKUNJSLUCL-UHFFFAOYSA-N 1 1 289.467 3.059 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCN(C)C2CC2)cc1 ZINC000809754381 630800905 /nfs/dbraw/zinc/80/09/05/630800905.db2.gz JNZIEKUNJSLUCL-UHFFFAOYSA-N 1 1 289.467 3.059 20 10 CGCDMO Oc1ccc(F)cc1C[NH2+]C1(C(F)F)CCCC1 ZINC000809790091 630810776 /nfs/dbraw/zinc/81/07/76/630810776.db2.gz XQVZXMULOMOULX-UHFFFAOYSA-N 1 1 259.271 3.199 20 10 CGCDMO CO[C@](C)(C[NH2+][C@H](C)c1cc(F)cc(F)c1O)C1CC1 ZINC000812734701 631299060 /nfs/dbraw/zinc/29/90/60/631299060.db2.gz QZDMQFBZYXTOIK-RFAUZJTJSA-N 1 1 285.334 3.136 20 10 CGCDMO CC1(C)[C@@H](O)CC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000812778440 631306977 /nfs/dbraw/zinc/30/69/77/631306977.db2.gz GHEUHWMVXYBZIW-KRWDZBQOSA-N 1 1 288.435 3.022 20 10 CGCDMO CC[N@H+](Cc1cc(Cl)cc(C)c1O)C[C@@H](C)OC ZINC000812807947 631316904 /nfs/dbraw/zinc/31/69/04/631316904.db2.gz ZXVVOEDPPXHBCM-LLVKDONJSA-N 1 1 271.788 3.211 20 10 CGCDMO CSC[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000814179327 631539926 /nfs/dbraw/zinc/53/99/26/631539926.db2.gz RIAMWEYXJSVUDK-AWEZNQCLSA-N 1 1 296.455 3.467 20 10 CGCDMO CC[N@H+](Cc1ccc(N(C)C)c(C)c1)C[C@@H]1CCCO1 ZINC000815029234 631705350 /nfs/dbraw/zinc/70/53/50/631705350.db2.gz OVECCQLCEIRDBJ-INIZCTEOSA-N 1 1 276.424 3.062 20 10 CGCDMO CC[C@@]1(C)COCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815078804 631713077 /nfs/dbraw/zinc/71/30/77/631713077.db2.gz GYIHTWDHIIMAME-KRWDZBQOSA-N 1 1 276.424 3.062 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@H]2C[C@@H](C)O)cc1 ZINC000815103331 631717866 /nfs/dbraw/zinc/71/78/66/631717866.db2.gz PCVFGQMABQTBGO-QAPCUYQASA-N 1 1 290.451 3.268 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)ccc1N(C)C ZINC000815113408 631720168 /nfs/dbraw/zinc/72/01/68/631720168.db2.gz ALHKFBZJAXQUHV-ROUUACIJSA-N 1 1 288.435 3.204 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)C(C)(C)O ZINC000815604177 631804858 /nfs/dbraw/zinc/80/48/58/631804858.db2.gz GVNFFJVFASWKNE-DTWKUNHWSA-N 1 1 291.313 3.221 20 10 CGCDMO CC[N@@H+](Cc1cc(Cl)c(F)cc1O)C[C@@H]1CCCO1 ZINC000816496100 631994293 /nfs/dbraw/zinc/99/42/93/631994293.db2.gz WIZGHXQCBMACFY-NSHDSACASA-N 1 1 287.762 3.186 20 10 CGCDMO CC[N@H+](Cc1cc(Cl)c(F)cc1O)C[C@@H]1CCCO1 ZINC000816496100 631994297 /nfs/dbraw/zinc/99/42/97/631994297.db2.gz WIZGHXQCBMACFY-NSHDSACASA-N 1 1 287.762 3.186 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000816516422 632001763 /nfs/dbraw/zinc/00/17/63/632001763.db2.gz FHGAGTGPJIIQAH-WDEREUQCSA-N 1 1 299.773 3.043 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000816516422 632001768 /nfs/dbraw/zinc/00/17/68/632001768.db2.gz FHGAGTGPJIIQAH-WDEREUQCSA-N 1 1 299.773 3.043 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000816557580 632011032 /nfs/dbraw/zinc/01/10/32/632011032.db2.gz VLNJINCFJYIJEB-QMMMGPOBSA-N 1 1 279.689 3.462 20 10 CGCDMO C[C@@H]1CSC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816609312 632023434 /nfs/dbraw/zinc/02/34/34/632023434.db2.gz XMBUIURXGDZJEI-RDDDGLTNSA-N 1 1 275.776 3.026 20 10 CGCDMO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccs1 ZINC000817938317 632239054 /nfs/dbraw/zinc/23/90/54/632239054.db2.gz IZHYFGBKTFLFFD-DOMZBBRYSA-N 1 1 289.448 3.165 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)C[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817965849 632260290 /nfs/dbraw/zinc/26/02/90/632260290.db2.gz DDGBMLSRWINZSH-XCBNKYQSSA-N 1 1 277.195 3.087 20 10 CGCDMO C[C@@H](NCC1([NH3+])CCC1)c1ccc(N2CCCCC2)cc1 ZINC000817965690 632260422 /nfs/dbraw/zinc/26/04/22/632260422.db2.gz ZEPLXDYLTGTAQJ-OAHLLOKOSA-N 1 1 287.451 3.209 20 10 CGCDMO CC[C@H](N)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000817978501 632269787 /nfs/dbraw/zinc/26/97/87/632269787.db2.gz BWFVRDMDMPEVTC-FUHWJXTLSA-N 1 1 298.430 3.393 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000818615446 632341616 /nfs/dbraw/zinc/34/16/16/632341616.db2.gz PBGZCXHCYIFSNO-KBRIMQKVSA-N 1 1 275.440 3.063 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000818615446 632341621 /nfs/dbraw/zinc/34/16/21/632341621.db2.gz PBGZCXHCYIFSNO-KBRIMQKVSA-N 1 1 275.440 3.063 20 10 CGCDMO COc1cccc(C[N@@H+](C)CCc2ccccc2C)c1O ZINC000824555574 633259430 /nfs/dbraw/zinc/25/94/30/633259430.db2.gz VGBKQDORABAIJU-UHFFFAOYSA-N 1 1 285.387 3.384 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)CCc2ccccc2C)c1 ZINC000824554266 633259462 /nfs/dbraw/zinc/25/94/62/633259462.db2.gz DMZOJAJLCDGCKP-UHFFFAOYSA-N 1 1 285.387 3.384 20 10 CGCDMO Oc1ccc(Br)cc1C[N@H+]1CC[C@H]1C1CC1 ZINC000824650122 633267730 /nfs/dbraw/zinc/26/77/30/633267730.db2.gz JBYCDUCIOUQZAA-LBPRGKRZSA-N 1 1 282.181 3.139 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)cc1Cl ZINC000824829683 633297238 /nfs/dbraw/zinc/29/72/38/633297238.db2.gz KGXODJPYXQMXAU-WCQYABFASA-N 1 1 283.799 3.089 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCSC[C@H]2C2CC2)cc1 ZINC000824913912 633305269 /nfs/dbraw/zinc/30/52/69/633305269.db2.gz IQYWPHWDWJXSPS-INIZCTEOSA-N 1 1 276.449 3.080 20 10 CGCDMO Cc1cc(O)c(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000825114662 633330023 /nfs/dbraw/zinc/33/00/23/633330023.db2.gz UWLBONUNCFHOBE-CABCVRRESA-N 1 1 294.826 3.070 20 10 CGCDMO Cc1cc(O)c(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC000825114662 633330027 /nfs/dbraw/zinc/33/00/27/633330027.db2.gz UWLBONUNCFHOBE-CABCVRRESA-N 1 1 294.826 3.070 20 10 CGCDMO Cc1cc(O)c(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000825114663 633330343 /nfs/dbraw/zinc/33/03/43/633330343.db2.gz UWLBONUNCFHOBE-GJZGRUSLSA-N 1 1 294.826 3.070 20 10 CGCDMO Cc1cc(O)c(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC000825114663 633330345 /nfs/dbraw/zinc/33/03/45/633330345.db2.gz UWLBONUNCFHOBE-GJZGRUSLSA-N 1 1 294.826 3.070 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@]3(CCSC3)C2)c1 ZINC000825215052 633336158 /nfs/dbraw/zinc/33/61/58/633336158.db2.gz DXQRFCALEQSLSE-MRXNPFEDSA-N 1 1 277.433 3.420 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@]3(CCSC3)C2)cc1 ZINC000825215478 633336297 /nfs/dbraw/zinc/33/62/97/633336297.db2.gz PLCYUBXFVJKFES-KRWDZBQOSA-N 1 1 290.476 3.472 20 10 CGCDMO CS[C@@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000826049054 633400904 /nfs/dbraw/zinc/40/09/04/633400904.db2.gz OEYGJYOSHNUFNR-LLVKDONJSA-N 1 1 271.813 3.291 20 10 CGCDMO C[C@@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000827371455 633485658 /nfs/dbraw/zinc/48/56/58/633485658.db2.gz VCTBRGULNUMXNZ-QDNWOOLPSA-N 1 1 288.435 3.265 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000827494949 633495034 /nfs/dbraw/zinc/49/50/34/633495034.db2.gz QTJFLYWFTVFGKF-KRWDZBQOSA-N 1 1 299.370 3.339 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C2(CO)CCC2)cc1F ZINC000827903777 633532822 /nfs/dbraw/zinc/53/28/22/633532822.db2.gz OUAHMRJZRFDODN-UHFFFAOYSA-N 1 1 294.414 3.019 20 10 CGCDMO COC1CCN(c2ccc(C[N@@H+]3CC=CCC3)cc2)CC1 ZINC000828742886 633647333 /nfs/dbraw/zinc/64/73/33/633647333.db2.gz HJBIPYJQEIWIDF-UHFFFAOYSA-N 1 1 286.419 3.064 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1 ZINC000828905255 633668339 /nfs/dbraw/zinc/66/83/39/633668339.db2.gz MEQTXJPVGDSWLB-FUHWJXTLSA-N 1 1 288.435 3.144 20 10 CGCDMO Cc1cc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)ccc1N(C)C ZINC000830740370 633882870 /nfs/dbraw/zinc/88/28/70/633882870.db2.gz SHWNRPPBGOCIIN-HNNXBMFYSA-N 1 1 288.435 3.204 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2ccc(N(C)C)c(C)c2)nc1 ZINC000831059635 633914403 /nfs/dbraw/zinc/91/44/03/633914403.db2.gz YWAPNMDUVQQERK-UHFFFAOYSA-N 1 1 283.419 3.396 20 10 CGCDMO C[C@@H]([NH2+][C@H](CO)CCF)c1cc(Cl)c(Cl)cc1O ZINC000846209413 636159187 /nfs/dbraw/zinc/15/91/87/636159187.db2.gz RCWUXZRXUDMAQK-SFYZADRCSA-N 1 1 296.169 3.070 20 10 CGCDMO CC[C@@H]([NH2+]Cc1nn(C)cc1Cl)c1ccc(C)cc1O ZINC000834882344 634264671 /nfs/dbraw/zinc/26/46/71/634264671.db2.gz JMDYBUVTJPZMPY-CYBMUJFWSA-N 1 1 293.798 3.328 20 10 CGCDMO CC[C@H]([NH2+]Cc1cnccc1C)c1ccc(F)cc1O ZINC000834885934 634266451 /nfs/dbraw/zinc/26/64/51/634266451.db2.gz GSYNTCGMVXFAQN-HNNXBMFYSA-N 1 1 274.339 3.476 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc(F)cc1O ZINC000834899785 634276963 /nfs/dbraw/zinc/27/69/63/634276963.db2.gz KBJWJJHGQXMDHN-NILFDRSVSA-N 1 1 281.371 3.123 20 10 CGCDMO C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)C1CC[NH2+]CC1 ZINC000873272180 634314395 /nfs/dbraw/zinc/31/43/95/634314395.db2.gz QFMSDPLIWLAOIY-SUNKGSAMSA-N 1 1 292.398 3.057 20 10 CGCDMO CC[NH+](CC)C[C@@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835038504 634328495 /nfs/dbraw/zinc/32/84/95/634328495.db2.gz SZIHWVBKTJAPLP-HLRDLLSLSA-N 1 1 289.467 3.086 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000877523987 635072521 /nfs/dbraw/zinc/07/25/21/635072521.db2.gz OVDXVQODKPEGET-MRXNPFEDSA-N 1 1 268.360 3.433 20 10 CGCDMO Cc1nc(C[NH2+]Cc2c(O)cc(C)cc2Cl)cs1 ZINC000840883033 635073091 /nfs/dbraw/zinc/07/30/91/635073091.db2.gz YKBVPOLWVLSPTQ-UHFFFAOYSA-N 1 1 282.796 3.409 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000877542143 635081096 /nfs/dbraw/zinc/08/10/96/635081096.db2.gz WNBZUWUUQQPQAS-IRXDYDNUSA-N 1 1 287.403 3.234 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1ccccc1O ZINC000840911400 635081171 /nfs/dbraw/zinc/08/11/71/635081171.db2.gz ZGVNHCKKXXJJDI-UHFFFAOYSA-N 1 1 284.403 3.399 20 10 CGCDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840940985 635088086 /nfs/dbraw/zinc/08/80/86/635088086.db2.gz LXHNKAMKOLCYAV-QGZVFWFLSA-N 1 1 276.424 3.062 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2c(O)cc(C)cc2Cl)C[C@H]1C ZINC000840949937 635090618 /nfs/dbraw/zinc/09/06/18/635090618.db2.gz DGWOXCISJHQZDJ-ABAIWWIYSA-N 1 1 283.799 3.211 20 10 CGCDMO Cc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c(O)c1 ZINC000877588572 635104581 /nfs/dbraw/zinc/10/45/81/635104581.db2.gz SRYGOIQFOQYCPC-IAGOWNOFSA-N 1 1 283.371 3.009 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c(O)c1 ZINC000877604126 635107902 /nfs/dbraw/zinc/10/79/02/635107902.db2.gz XFOCHGHYIOMUBB-HOTGVXAUSA-N 1 1 275.392 3.092 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](c2ccc(O)cc2)C1 ZINC000877660101 635135515 /nfs/dbraw/zinc/13/55/15/635135515.db2.gz JELCHWBVVHNSAX-HNNXBMFYSA-N 1 1 283.371 3.396 20 10 CGCDMO Oc1ccccc1C[N@@H+]1CC[C@@H](O)C[C@@H]1c1ccccc1 ZINC000877673796 635141565 /nfs/dbraw/zinc/14/15/65/635141565.db2.gz RMDGFCSRZMCDRX-IAGOWNOFSA-N 1 1 283.371 3.090 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000877674888 635142171 /nfs/dbraw/zinc/14/21/71/635142171.db2.gz WKEFTADYIZTCKA-ZWKOTPCHSA-N 1 1 297.398 3.399 20 10 CGCDMO CCOc1cccc(C[N@H+]2Cc3cccc(O)c3C2)c1O ZINC000877703761 635154969 /nfs/dbraw/zinc/15/49/69/635154969.db2.gz SUUDLFFMDZVMED-UHFFFAOYSA-N 1 1 285.343 3.012 20 10 CGCDMO COc1cc(C)ccc1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877703279 635155473 /nfs/dbraw/zinc/15/54/73/635155473.db2.gz ZRNNIWXMAUYLMV-UHFFFAOYSA-N 1 1 269.344 3.225 20 10 CGCDMO COc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)cc1F ZINC000877703426 635155644 /nfs/dbraw/zinc/15/56/44/635155644.db2.gz IRQWJROUXFHEAU-UHFFFAOYSA-N 1 1 273.307 3.056 20 10 CGCDMO COc1ccc(C[N@H+]2Cc3cccc(O)c3C2)cc1F ZINC000877703426 635155649 /nfs/dbraw/zinc/15/56/49/635155649.db2.gz IRQWJROUXFHEAU-UHFFFAOYSA-N 1 1 273.307 3.056 20 10 CGCDMO COc1ccc(C[N@H+]2Cc3cccc(O)c3C2)cc1C ZINC000877704049 635155726 /nfs/dbraw/zinc/15/57/26/635155726.db2.gz YGSYMZXBQYIAJT-UHFFFAOYSA-N 1 1 269.344 3.225 20 10 CGCDMO CCOc1cc(C[N@@H+]2Cc3cccc(O)c3C2)ccc1OC ZINC000877703504 635155790 /nfs/dbraw/zinc/15/57/90/635155790.db2.gz MIYNUANDBSHKCP-UHFFFAOYSA-N 1 1 299.370 3.315 20 10 CGCDMO CCOc1cc(C[N@H+]2Cc3cccc(O)c3C2)ccc1OC ZINC000877703504 635155793 /nfs/dbraw/zinc/15/57/93/635155793.db2.gz MIYNUANDBSHKCP-UHFFFAOYSA-N 1 1 299.370 3.315 20 10 CGCDMO COCC(C)(C)CC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000877804697 635208020 /nfs/dbraw/zinc/20/80/20/635208020.db2.gz BGVCEJWLEPPFEO-UHFFFAOYSA-N 1 1 289.778 3.337 20 10 CGCDMO CCOCCC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841742924 635220632 /nfs/dbraw/zinc/22/06/32/635220632.db2.gz ALLUUZRTJGMBIF-SNVBAGLBSA-N 1 1 257.761 3.123 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccc(Cl)cc1O ZINC000841748188 635224224 /nfs/dbraw/zinc/22/42/24/635224224.db2.gz IHFRHMQYLBBWDF-TVQRCGJNSA-N 1 1 291.782 3.497 20 10 CGCDMO C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1O)C[C@H](C)O ZINC000841754840 635229230 /nfs/dbraw/zinc/22/92/30/635229230.db2.gz MAPKCBJSNPGNFX-VWYCJHECSA-N 1 1 271.788 3.103 20 10 CGCDMO Oc1c(F)cccc1C[NH+]1CCC(OC2CCC2)CC1 ZINC000841888400 635247568 /nfs/dbraw/zinc/24/75/68/635247568.db2.gz IQWRGQOQGYPGEL-UHFFFAOYSA-N 1 1 279.355 3.065 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](OC(C)C)C2)c1 ZINC000842611236 635419034 /nfs/dbraw/zinc/41/90/34/635419034.db2.gz JIQXACIJBPAWRP-OAHLLOKOSA-N 1 1 263.381 3.008 20 10 CGCDMO CC[C@H]([NH2+]Cc1ccc(CO)cc1)c1ccc(F)cc1O ZINC000842896554 635508711 /nfs/dbraw/zinc/50/87/11/635508711.db2.gz WXNUVZYPAMUNOL-INIZCTEOSA-N 1 1 289.350 3.265 20 10 CGCDMO Cc1cc(C[N@H+](C)Cc2ccns2)ccc1N(C)C ZINC000878899609 635653192 /nfs/dbraw/zinc/65/31/92/635653192.db2.gz MDGCOYDFJSBKQT-UHFFFAOYSA-N 1 1 275.421 3.150 20 10 CGCDMO Cc1cc(C[N@@H+](C)Cc2ccns2)ccc1N(C)C ZINC000878899609 635653194 /nfs/dbraw/zinc/65/31/94/635653194.db2.gz MDGCOYDFJSBKQT-UHFFFAOYSA-N 1 1 275.421 3.150 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000843420673 635664756 /nfs/dbraw/zinc/66/47/56/635664756.db2.gz CGCZZACDZSKFOO-AEFFLSMTSA-N 1 1 288.435 3.144 20 10 CGCDMO CC1(C)C[N@@H+](Cc2c(O)cccc2Cl)CCS1 ZINC000128086983 635883777 /nfs/dbraw/zinc/88/37/77/635883777.db2.gz SAGQBSDGFSPAAW-UHFFFAOYSA-N 1 1 271.813 3.373 20 10 CGCDMO COc1ccc(N(C)CC[N@@H+](C)[C@@H](C)c2ccccn2)cc1 ZINC000844401258 635891314 /nfs/dbraw/zinc/89/13/14/635891314.db2.gz LEERSMZLIVNKSI-HNNXBMFYSA-N 1 1 299.418 3.219 20 10 CGCDMO CC[N@H+](Cc1c(O)ccc(Cl)c1F)[C@H]1CCCOC1 ZINC000846051591 636139092 /nfs/dbraw/zinc/13/90/92/636139092.db2.gz GWADSCNRHOOMIE-JTQLQIEISA-N 1 1 287.762 3.186 20 10 CGCDMO CC[N@@H+](Cc1c(O)ccc(Cl)c1F)[C@H]1CCCOC1 ZINC000846051591 636139094 /nfs/dbraw/zinc/13/90/94/636139094.db2.gz GWADSCNRHOOMIE-JTQLQIEISA-N 1 1 287.762 3.186 20 10 CGCDMO CC[N@@H+](Cc1cc(C)c(C)cc1O)[C@H]1CCCOC1 ZINC000846053159 636139149 /nfs/dbraw/zinc/13/91/49/636139149.db2.gz SRUFMHSFGLAWBO-HNNXBMFYSA-N 1 1 263.381 3.010 20 10 CGCDMO COc1cccc([C@@H](C)NCC[NH+](C(C)C)C(C)C)c1O ZINC000846138158 636148915 /nfs/dbraw/zinc/14/89/15/636148915.db2.gz UAKUZEGXOIYPIC-CQSZACIVSA-N 1 1 294.439 3.170 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(C)(C)C)c1 ZINC000846215311 636160506 /nfs/dbraw/zinc/16/05/06/636160506.db2.gz XERUZATZVTXRJX-GHMZBOCLSA-N 1 1 279.380 3.264 20 10 CGCDMO Cc1cc(C[N@H+](C)[C@@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000106857821 636388723 /nfs/dbraw/zinc/38/87/23/636388723.db2.gz FOXQIKXGJKCKKV-CQSZACIVSA-N 1 1 277.408 3.219 20 10 CGCDMO CCO[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C12CCC2 ZINC000883017831 636507834 /nfs/dbraw/zinc/50/78/34/636507834.db2.gz COBMCSYVMWACTG-KBPBESRZSA-N 1 1 297.345 3.108 20 10 CGCDMO CC(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000883029168 636513378 /nfs/dbraw/zinc/51/33/78/636513378.db2.gz IMNPYGIYIHCZOB-ZBEGNZNMSA-N 1 1 299.361 3.211 20 10 CGCDMO OCCC1(C[NH2+]Cc2cc(F)cc(F)c2O)CCCCC1 ZINC000883033427 636514284 /nfs/dbraw/zinc/51/42/84/636514284.db2.gz RMMKJMNVKQCLFU-UHFFFAOYSA-N 1 1 299.361 3.093 20 10 CGCDMO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883152702 636558790 /nfs/dbraw/zinc/55/87/90/636558790.db2.gz DXANSUFMSXRVLJ-TXEJJXNPSA-N 1 1 285.334 3.106 20 10 CGCDMO Oc1ccc2c(c1)[C@H]([NH2+]Cc1cc(F)cc(F)c1O)CC2 ZINC000883175301 636567561 /nfs/dbraw/zinc/56/75/61/636567561.db2.gz DDIVRNQLRQOMFI-OAHLLOKOSA-N 1 1 291.297 3.153 20 10 CGCDMO CCc1cccc(C[N@H+]2CCOCC3(CCCC3)C2)c1O ZINC000848903908 636684148 /nfs/dbraw/zinc/68/41/48/636684148.db2.gz GOXBPSYNKIYIEP-UHFFFAOYSA-N 1 1 289.419 3.347 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c1O ZINC000848919032 636691237 /nfs/dbraw/zinc/69/12/37/636691237.db2.gz QRCZCFUHKCAJLV-AWEZNQCLSA-N 1 1 267.319 3.186 20 10 CGCDMO COc1cccc(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)c1O ZINC000132745387 636834850 /nfs/dbraw/zinc/83/48/50/636834850.db2.gz GQIMMXLXVFUHAN-OCCSQVGLSA-N 1 1 263.381 3.411 20 10 CGCDMO CC1(C)CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000132765672 636836052 /nfs/dbraw/zinc/83/60/52/636836052.db2.gz YFKUBNKVBPEPIF-UHFFFAOYSA-N 1 1 284.197 3.387 20 10 CGCDMO CC1(C)CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000132765672 636836073 /nfs/dbraw/zinc/83/60/73/636836073.db2.gz YFKUBNKVBPEPIF-UHFFFAOYSA-N 1 1 284.197 3.387 20 10 CGCDMO CC[C@@H]([NH2+]CCc1ccoc1)c1ccc(F)cc1O ZINC000850532535 637109157 /nfs/dbraw/zinc/10/91/57/637109157.db2.gz VIHVHMISMXNONA-CQSZACIVSA-N 1 1 263.312 3.408 20 10 CGCDMO C[C@H](N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1O ZINC000850538748 637113484 /nfs/dbraw/zinc/11/34/84/637113484.db2.gz LAESSEOKSYZCDW-GJZGRUSLSA-N 1 1 288.435 3.450 20 10 CGCDMO C[C@H](N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1O ZINC000850538748 637113489 /nfs/dbraw/zinc/11/34/89/637113489.db2.gz LAESSEOKSYZCDW-GJZGRUSLSA-N 1 1 288.435 3.450 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C)C[C@@H]2C)c1O ZINC000135821825 637188204 /nfs/dbraw/zinc/18/82/04/637188204.db2.gz LOLLSWCHSACFCW-ZJUUUORDSA-N 1 1 281.783 3.479 20 10 CGCDMO C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)Cc1ccccc1O ZINC000109771504 637267667 /nfs/dbraw/zinc/26/76/67/637267667.db2.gz RFLVZFQAMSTFIL-PBHICJAKSA-N 1 1 277.408 3.419 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H]1CCO[C@H](C)C1 ZINC000851792733 637505708 /nfs/dbraw/zinc/50/57/08/637505708.db2.gz RMAOURPOVYVBHQ-UKRRQHHQSA-N 1 1 263.381 3.172 20 10 CGCDMO CO[C@H](C[N@@H+](C)Cc1ccccc1O)C1CCCC1 ZINC000851841608 637518765 /nfs/dbraw/zinc/51/87/65/637518765.db2.gz VQHYFQZWSLHHMK-MRXNPFEDSA-N 1 1 263.381 3.029 20 10 CGCDMO C[C@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1ccccn1 ZINC000886489447 637538968 /nfs/dbraw/zinc/53/89/68/637538968.db2.gz IXNGJDJZTPJOFI-QWRGUYRKSA-N 1 1 260.312 3.338 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1c(O)cccc1F ZINC000886493401 637540964 /nfs/dbraw/zinc/54/09/64/637540964.db2.gz JVIUFJWAXZXLHC-GFCCVEGCSA-N 1 1 288.366 3.448 20 10 CGCDMO CC[C@@H](C[NH2+][C@H](C)c1c(O)cccc1F)N1CCCC1 ZINC000886501553 637543193 /nfs/dbraw/zinc/54/31/93/637543193.db2.gz OCXRNTSDOKXMCS-OLZOCXBDSA-N 1 1 280.387 3.056 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1c(O)cccc1F ZINC000886512643 637547372 /nfs/dbraw/zinc/54/73/72/637547372.db2.gz JYDCSFKGNGSZMX-MEBBXXQBSA-N 1 1 293.313 3.055 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)c1O ZINC000219816638 637562275 /nfs/dbraw/zinc/56/22/75/637562275.db2.gz UDKOYKSKEPLTEO-STQMWFEESA-N 1 1 263.381 3.269 20 10 CGCDMO C[C@H]([NH2+]CCC1(F)CCC1)c1c(O)cccc1F ZINC000886609186 637602888 /nfs/dbraw/zinc/60/28/88/637602888.db2.gz NTJMFJFOMMBYDK-JTQLQIEISA-N 1 1 255.308 3.464 20 10 CGCDMO C[C@@H]([NH2+]CC[C@@H](O)C1CCCC1)c1c(O)cccc1F ZINC000886650457 637629822 /nfs/dbraw/zinc/62/98/22/637629822.db2.gz XJUAPAHQZQNCOG-BXUZGUMPSA-N 1 1 281.371 3.123 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)CO)cc1 ZINC000852427054 637651024 /nfs/dbraw/zinc/65/10/24/637651024.db2.gz ZOYSTPWAXTWJQX-MAUKXSAKSA-N 1 1 290.451 3.126 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CCO)cc1 ZINC000852460104 637654008 /nfs/dbraw/zinc/65/40/08/637654008.db2.gz ANGLHBCHFITHHR-QAPCUYQASA-N 1 1 290.451 3.126 20 10 CGCDMO CCN(CC)c1ccc(CNc2cc(CO)cc(C)[nH+]2)cc1 ZINC000853193662 637778456 /nfs/dbraw/zinc/77/84/56/637778456.db2.gz WOTDXHQMIZSEGZ-UHFFFAOYSA-N 1 1 299.418 3.341 20 10 CGCDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@H]4C[C@H]4C3)c2c1 ZINC000853577837 637869338 /nfs/dbraw/zinc/86/93/38/637869338.db2.gz JMGKYAQDHBRABX-KBPBESRZSA-N 1 1 283.371 3.396 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)cc1C ZINC000853629835 637877245 /nfs/dbraw/zinc/87/72/45/637877245.db2.gz LSOCYTTUQIJMBQ-LRDDRELGSA-N 1 1 299.361 3.254 20 10 CGCDMO CNC[C@H](C)[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000854232238 638029804 /nfs/dbraw/zinc/02/98/04/638029804.db2.gz OIVFPKSESFRQNV-YJBOKZPZSA-N 1 1 298.430 3.264 20 10 CGCDMO Oc1c(Br)cccc1C[NH+]1CC(CC2CC2)C1 ZINC000857066809 638448301 /nfs/dbraw/zinc/44/83/01/638448301.db2.gz WLRKZKDKHNQLLE-UHFFFAOYSA-N 1 1 296.208 3.387 20 10 CGCDMO CN(C)c1ccc(C[NH2+]Cc2ccncc2Cl)cc1F ZINC000858115931 638635497 /nfs/dbraw/zinc/63/54/97/638635497.db2.gz GJAWHTFBEZNUEU-UHFFFAOYSA-N 1 1 293.773 3.230 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1ccc(F)cc1O ZINC000926946635 638828365 /nfs/dbraw/zinc/82/83/65/638828365.db2.gz CHIFYZFTHSUILP-DKCNOQQISA-N 1 1 277.261 3.380 20 10 CGCDMO C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1ccc(F)cc1O ZINC000927070791 638838121 /nfs/dbraw/zinc/83/81/21/638838121.db2.gz VEAQKVSKODNADF-BNLOLNQZSA-N 1 1 293.382 3.387 20 10 CGCDMO C[C@H]1SCC[N@@H+](Cc2cc3c(cc2O)CCC3)[C@H]1C ZINC000118381785 639599640 /nfs/dbraw/zinc/59/96/40/639599640.db2.gz JYSJMPTVKGCDED-NWDGAFQWSA-N 1 1 277.433 3.207 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000155211555 639924222 /nfs/dbraw/zinc/92/42/22/639924222.db2.gz ZMFUDLLGVCBXKL-GOSISDBHSA-N 1 1 296.414 3.189 20 10 CGCDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000158934470 640024773 /nfs/dbraw/zinc/02/47/73/640024773.db2.gz IQVMLARSVWXCTI-CQSZACIVSA-N 1 1 292.398 3.037 20 10 CGCDMO CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1nccs1 ZINC000078004074 640277497 /nfs/dbraw/zinc/27/74/97/640277497.db2.gz DMFVGSHZSHMTKO-ZDUSSCGKSA-N 1 1 274.389 3.319 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCS[C@@H](C)CC2)c1O ZINC000191665300 640327755 /nfs/dbraw/zinc/32/77/55/640327755.db2.gz FZDYVPGFVNUIKS-LBPRGKRZSA-N 1 1 281.421 3.037 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)Cc2ccccc2F)c1O ZINC000192478446 640373057 /nfs/dbraw/zinc/37/30/57/640373057.db2.gz DMGHONPDSWBXCV-UHFFFAOYSA-N 1 1 289.350 3.480 20 10 CGCDMO COc1cc(C[N@H+]2CCS[C@@H](C)[C@H]2C)c(O)cc1C ZINC000245542145 640625525 /nfs/dbraw/zinc/62/55/25/640625525.db2.gz PLFVIFAKGXEPJP-NEPJUHHUSA-N 1 1 281.421 3.035 20 10 CGCDMO COc1ccc(N2CCC[N@H+]([C@@H]3C=CCCC3)CC2)cc1 ZINC000246223816 640665580 /nfs/dbraw/zinc/66/55/80/640665580.db2.gz FAQKIBCCRSNPMA-MRXNPFEDSA-N 1 1 286.419 3.316 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000092586217 640740600 /nfs/dbraw/zinc/74/06/00/640740600.db2.gz POFXACPLAMFAAU-INIZCTEOSA-N 1 1 288.435 3.145 20 10 CGCDMO C[C@@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc(F)cc1O ZINC000248519062 640765446 /nfs/dbraw/zinc/76/54/46/640765446.db2.gz QHPUBKUMMJLVFP-QWHCGFSZSA-N 1 1 280.387 3.056 20 10 CGCDMO CCC[C@H]1CCC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000093704771 640779871 /nfs/dbraw/zinc/77/98/71/640779871.db2.gz HUUORNLWTMLEAF-ZDUSSCGKSA-N 1 1 263.381 3.413 20 10 CGCDMO CC(C)n1ccc2c1nc[nH+]c2NCc1ccc(N)cc1 ZINC001162787651 806665789 /nfs/dbraw/zinc/66/57/89/806665789.db2.gz PDFVLFJSKWGPAA-UHFFFAOYSA-N 1 1 281.363 3.207 20 10 CGCDMO Oc1cccc2c1C[N@H+](Cc1cc(F)cc(F)c1)CC2 ZINC000090557861 798951988 /nfs/dbraw/zinc/95/19/88/798951988.db2.gz JSBVSPIOEXCIOQ-UHFFFAOYSA-N 1 1 275.298 3.229 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1cc(F)cc(F)c1)CC2 ZINC000090557861 798951992 /nfs/dbraw/zinc/95/19/92/798951992.db2.gz JSBVSPIOEXCIOQ-UHFFFAOYSA-N 1 1 275.298 3.229 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)C[C@@H]2CCCCO2)cc1C ZINC000125349451 799001640 /nfs/dbraw/zinc/00/16/40/799001640.db2.gz HPAQPZLOSWHZSC-HNNXBMFYSA-N 1 1 263.381 3.010 20 10 CGCDMO C[N@H+](Cc1c(O)ccc2ccccc21)CC1CCOCC1 ZINC000156026709 799065094 /nfs/dbraw/zinc/06/50/94/799065094.db2.gz KXFCPMWZHNDRHF-UHFFFAOYSA-N 1 1 285.387 3.404 20 10 CGCDMO CCCC[C@H](C)[N@@H+](C)Cc1cccc(OC)c1O ZINC000386492492 799437015 /nfs/dbraw/zinc/43/70/15/799437015.db2.gz XTEPQGWPJOMMQY-LBPRGKRZSA-N 1 1 251.370 3.411 20 10 CGCDMO Cc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2O)ccn1 ZINC000391111332 799476353 /nfs/dbraw/zinc/47/63/53/799476353.db2.gz CFNLDWFXJXBKNM-NSHDSACASA-N 1 1 260.312 3.086 20 10 CGCDMO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC2(F)F)c1 ZINC000397990416 799524799 /nfs/dbraw/zinc/52/47/99/799524799.db2.gz IGWQQZJSSWBCSK-TVQRCGJNSA-N 1 1 271.307 3.239 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCCC1(F)F)c1cc(F)ccc1O ZINC000398212087 799528360 /nfs/dbraw/zinc/52/83/60/799528360.db2.gz SRMAEKWIDGTGJD-QPUJVOFHSA-N 1 1 259.271 3.370 20 10 CGCDMO CCc1cccc(C[N@H+]2CCOCC23CCCC3)c1O ZINC000692108858 799791164 /nfs/dbraw/zinc/79/11/64/799791164.db2.gz LJIPDYZKTCZVQS-UHFFFAOYSA-N 1 1 275.392 3.100 20 10 CGCDMO CO[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)C1CCCC1 ZINC000692985050 799805792 /nfs/dbraw/zinc/80/57/92/799805792.db2.gz ZMJFTFZDRMYXJS-ZBEGNZNMSA-N 1 1 281.371 3.387 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000708480485 799989898 /nfs/dbraw/zinc/98/98/98/799989898.db2.gz KSXCFZXXPVMDEH-YOGCLGLASA-N 1 1 285.359 3.187 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C1CC2(CCC2)C1 ZINC000708514446 799990999 /nfs/dbraw/zinc/99/09/99/799990999.db2.gz HXUQITVQVOHYEJ-UHFFFAOYSA-N 1 1 253.292 3.093 20 10 CGCDMO C[C@H]([NH2+]Cc1ncc(Cl)s1)c1cc(F)ccc1O ZINC000719400675 800237777 /nfs/dbraw/zinc/23/77/77/800237777.db2.gz ATKUTOKBVBPCGP-ZETCQYMHSA-N 1 1 286.759 3.492 20 10 CGCDMO COc1cccc(C[C@H](C)[N@H+]2CCc3cccc(O)c3C2)c1 ZINC001256169855 806842026 /nfs/dbraw/zinc/84/20/26/806842026.db2.gz OFLWMBLPBRSLKX-AWEZNQCLSA-N 1 1 297.398 3.390 20 10 CGCDMO CCN(CC)c1ccc(-c2cc[nH+]c3c2CCN3)cc1 ZINC001243881656 803061163 /nfs/dbraw/zinc/06/11/63/803061163.db2.gz QLKNSGSDKIONFM-UHFFFAOYSA-N 1 1 267.376 3.206 20 10 CGCDMO c1cn(Cc2ccccc2)c2ncnc(C3=C[NH2+]CCC3)c12 ZINC001243948946 803094754 /nfs/dbraw/zinc/09/47/54/803094754.db2.gz GWNHZSBKJNAALA-UHFFFAOYSA-N 1 1 290.370 3.204 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)C[C@@H](C)C(F)(F)F ZINC001208892061 813883722 /nfs/dbraw/zinc/88/37/22/813883722.db2.gz NHOJKWWODOYRTB-SNVBAGLBSA-N 1 1 261.287 3.413 20 10 CGCDMO Cn1ccc2c1cc[nH+]c2-c1cncc(OCC2CC2)c1 ZINC001245242397 803676570 /nfs/dbraw/zinc/67/65/70/803676570.db2.gz PJXWANJPFOIUAB-UHFFFAOYSA-N 1 1 279.343 3.424 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1cccc3ncccc13)CC2 ZINC001137630597 803747293 /nfs/dbraw/zinc/74/72/93/803747293.db2.gz GBZVZWWAHCOUFU-UHFFFAOYSA-N 1 1 290.366 3.499 20 10 CGCDMO Oc1cccc(F)c1C[NH+]1CCC(C(F)(F)F)CC1 ZINC001137832836 803777590 /nfs/dbraw/zinc/77/75/90/803777590.db2.gz JTYFCDLVIDKKNX-UHFFFAOYSA-N 1 1 277.261 3.306 20 10 CGCDMO Cc1ccc(C[N@@H+](C)Cc2c(O)cccc2F)cc1 ZINC001137837379 803780564 /nfs/dbraw/zinc/78/05/64/803780564.db2.gz DODMBSOAQWZFDT-UHFFFAOYSA-N 1 1 259.324 3.472 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2c(O)cccc2F)cc1 ZINC001137837379 803780569 /nfs/dbraw/zinc/78/05/69/803780569.db2.gz DODMBSOAQWZFDT-UHFFFAOYSA-N 1 1 259.324 3.472 20 10 CGCDMO COc1ccc(C[N@H+](C)Cc2c(O)cccc2F)cc1 ZINC001137833136 803781522 /nfs/dbraw/zinc/78/15/22/803781522.db2.gz UOORYIJAUZUHQM-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2c(O)cccc2F)cc1 ZINC001137833136 803781529 /nfs/dbraw/zinc/78/15/29/803781529.db2.gz UOORYIJAUZUHQM-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO Cc1cc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c(C)n1-c1ccccc1 ZINC001137855806 803786306 /nfs/dbraw/zinc/78/63/06/803786306.db2.gz GIVMMCNOENFFBO-HDICACEKSA-N 1 1 296.414 3.172 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@@H](O)CC2)c(C)n1-c1ccccc1 ZINC001137854288 803786435 /nfs/dbraw/zinc/78/64/35/803786435.db2.gz PNUKLCIDUARWPN-LJQANCHMSA-N 1 1 298.430 3.441 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001138127481 803863286 /nfs/dbraw/zinc/86/32/86/803863286.db2.gz FTQSFLFMXKWABO-CYBMUJFWSA-N 1 1 286.350 3.306 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001138127481 803863299 /nfs/dbraw/zinc/86/32/99/803863299.db2.gz FTQSFLFMXKWABO-CYBMUJFWSA-N 1 1 286.350 3.306 20 10 CGCDMO CC(=O)[C@@H]1CCC[N@H+](Cc2c(C)n(C)c3ccccc32)C1 ZINC001138258631 803883935 /nfs/dbraw/zinc/88/39/35/803883935.db2.gz XGCRMGOVVIFAOT-OAHLLOKOSA-N 1 1 284.403 3.288 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CCc4occc4C3)ccc21 ZINC001138356455 803900095 /nfs/dbraw/zinc/90/00/95/803900095.db2.gz ONCMJWACDFXFMS-UHFFFAOYSA-N 1 1 282.387 3.220 20 10 CGCDMO Cn1ccc2ccc(C[N@H+]3CCc4cccc(O)c4C3)cc21 ZINC001139206905 804162372 /nfs/dbraw/zinc/16/23/72/804162372.db2.gz LSFPKVGOLVBCKT-UHFFFAOYSA-N 1 1 292.382 3.442 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cc(Cl)ccn2)cc1 ZINC001139565307 804209960 /nfs/dbraw/zinc/20/99/60/804209960.db2.gz UPZBYUIKJJWEFF-UHFFFAOYSA-N 1 1 289.810 3.433 20 10 CGCDMO CCCO[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139671854 804248129 /nfs/dbraw/zinc/24/81/29/804248129.db2.gz PBZDPYKHQPCNEH-INIZCTEOSA-N 1 1 276.424 3.062 20 10 CGCDMO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCC[C@@H]1C ZINC001140057828 804366133 /nfs/dbraw/zinc/36/61/33/804366133.db2.gz PHRHVNPJQHWNEN-RYUDHWBXSA-N 1 1 251.345 3.399 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)c1O ZINC001140179489 804395788 /nfs/dbraw/zinc/39/57/88/804395788.db2.gz FGRRCYCLRSHMQF-GDBMZVCRSA-N 1 1 275.392 3.010 20 10 CGCDMO Cc1ccc(C)c(C[N@H+](C)Cc2nccs2)c1O ZINC001140182016 804395933 /nfs/dbraw/zinc/39/59/33/804395933.db2.gz FRBOTYJIACGXSJ-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+](C)Cc2nccs2)c1O ZINC001140182016 804395939 /nfs/dbraw/zinc/39/59/39/804395939.db2.gz FRBOTYJIACGXSJ-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO CCCO[C@@H]1CC[N@@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140179459 804396009 /nfs/dbraw/zinc/39/60/09/804396009.db2.gz KQZDBEHFBBFYBB-CQSZACIVSA-N 1 1 263.381 3.010 20 10 CGCDMO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)Cc1c(C)ccc(C)c1O ZINC001140183310 804397221 /nfs/dbraw/zinc/39/72/21/804397221.db2.gz BLWXFUJZUAGHBR-NHYWBVRUSA-N 1 1 293.407 3.029 20 10 CGCDMO C[N@@H+](CCc1cccnc1)Cc1c(O)cccc1Cl ZINC001140341466 804420767 /nfs/dbraw/zinc/42/07/67/804420767.db2.gz PLOMZAYOLOTMDO-UHFFFAOYSA-N 1 1 276.767 3.115 20 10 CGCDMO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(Cl)cc1O ZINC001140465592 804443742 /nfs/dbraw/zinc/44/37/42/804443742.db2.gz NYDAOOQHBYLNAM-HZMBPMFUSA-N 1 1 299.798 3.065 20 10 CGCDMO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(Cl)cc1O ZINC001140465592 804443746 /nfs/dbraw/zinc/44/37/46/804443746.db2.gz NYDAOOQHBYLNAM-HZMBPMFUSA-N 1 1 299.798 3.065 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](CCCCCO)C(C)C)c1 ZINC001140623339 804476994 /nfs/dbraw/zinc/47/69/94/804476994.db2.gz MDQKYEFENXTQFN-UHFFFAOYSA-N 1 1 265.397 3.074 20 10 CGCDMO CCCCN1CCC([N@H+](C)Cc2cc(C)ccc2O)CC1 ZINC001140624243 804478464 /nfs/dbraw/zinc/47/84/64/804478464.db2.gz MTFVSGPFJKTFCF-UHFFFAOYSA-N 1 1 290.451 3.397 20 10 CGCDMO CCCCN1CCC([N@@H+](C)Cc2cc(C)ccc2O)CC1 ZINC001140624243 804478469 /nfs/dbraw/zinc/47/84/69/804478469.db2.gz MTFVSGPFJKTFCF-UHFFFAOYSA-N 1 1 290.451 3.397 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1O ZINC001140745719 804503342 /nfs/dbraw/zinc/50/33/42/804503342.db2.gz MTWMOPJCIFSDKX-LLVKDONJSA-N 1 1 289.297 3.181 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c1O ZINC001140744438 804503582 /nfs/dbraw/zinc/50/35/82/804503582.db2.gz XFCYNWZCNYIDJZ-STQMWFEESA-N 1 1 261.365 3.028 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CC2CC2)c(O)c1 ZINC001140850044 804533114 /nfs/dbraw/zinc/53/31/14/804533114.db2.gz BHFWKSCJANIBSQ-UHFFFAOYSA-N 1 1 262.397 3.080 20 10 CGCDMO CC[C@@H]1CC[N@@H+](Cc2ccc(N(CC)CC)cc2O)C1 ZINC001140855828 804533343 /nfs/dbraw/zinc/53/33/43/804533343.db2.gz CRLYFLYXDOYPEE-CQSZACIVSA-N 1 1 276.424 3.470 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(O)c1 ZINC001140850984 804533750 /nfs/dbraw/zinc/53/37/50/804533750.db2.gz XOUJSUZQYDYWTB-BPUTZDHNSA-N 1 1 292.398 3.028 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)c(O)c1 ZINC001140850844 804533921 /nfs/dbraw/zinc/53/39/21/804533921.db2.gz WOIMOKCOIHDTOX-CZUORRHYSA-N 1 1 294.414 3.418 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCCOC2)c(Cl)c1 ZINC001140925551 804550601 /nfs/dbraw/zinc/55/06/01/804550601.db2.gz CWWYVEZTMRHWDE-CQSZACIVSA-N 1 1 282.815 3.017 20 10 CGCDMO CC(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140924120 804551265 /nfs/dbraw/zinc/55/12/65/804551265.db2.gz DVVVZRVWUIEIHR-ZDUSSCGKSA-N 1 1 294.826 3.207 20 10 CGCDMO Cc1ccc(C[N@@H+](C)Cc2ccc(C)nc2)c(O)c1 ZINC001140954703 804558388 /nfs/dbraw/zinc/55/83/88/804558388.db2.gz WVIDNLDTXBZPCF-UHFFFAOYSA-N 1 1 256.349 3.036 20 10 CGCDMO CC[C@@H]1CCCC[N@H+]1Cc1c(O)cc(OC)cc1OC ZINC001141029183 804575219 /nfs/dbraw/zinc/57/52/19/804575219.db2.gz LKXATPKIRVIBRW-GFCCVEGCSA-N 1 1 279.380 3.174 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2cc(O)ccc2O)cc1 ZINC001141158911 804600644 /nfs/dbraw/zinc/60/06/44/804600644.db2.gz RELFURCRYAUADM-UHFFFAOYSA-N 1 1 257.333 3.038 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)c(Cl)n1 ZINC001142144098 804699261 /nfs/dbraw/zinc/69/92/61/804699261.db2.gz VQUORHHDQPHKOR-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1ccc(C[N@H+]2CCc3cccc(O)c3C2)c(Cl)n1 ZINC001142144098 804699268 /nfs/dbraw/zinc/69/92/68/804699268.db2.gz VQUORHHDQPHKOR-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001142509081 804728977 /nfs/dbraw/zinc/72/89/77/804728977.db2.gz WKVFDKMEIAUUFY-GFCCVEGCSA-N 1 1 295.251 3.240 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001142509081 804728980 /nfs/dbraw/zinc/72/89/80/804728980.db2.gz WKVFDKMEIAUUFY-GFCCVEGCSA-N 1 1 295.251 3.240 20 10 CGCDMO C[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)[C@H]1C ZINC001142521044 804732380 /nfs/dbraw/zinc/73/23/80/804732380.db2.gz VFEPNVKNDXJPKT-ZJUUUORDSA-N 1 1 255.308 3.291 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)[C@H]1C ZINC001142521044 804732386 /nfs/dbraw/zinc/73/23/86/804732386.db2.gz VFEPNVKNDXJPKT-ZJUUUORDSA-N 1 1 255.308 3.291 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)CCC[C@@H]1O ZINC001143104061 804801063 /nfs/dbraw/zinc/80/10/63/804801063.db2.gz OVCCFRXUKPIBHZ-CJNGLKHVSA-N 1 1 291.435 3.283 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CCOC(C)(C)C2)c1O ZINC001143104554 804801520 /nfs/dbraw/zinc/80/15/20/804801520.db2.gz VEXZXKXHPYYTHU-UHFFFAOYSA-N 1 1 277.408 3.301 20 10 CGCDMO C[C@H]1CC(=O)CC[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143104043 804801568 /nfs/dbraw/zinc/80/15/68/804801568.db2.gz OLFAMMKCXUURER-LBPRGKRZSA-N 1 1 275.392 3.243 20 10 CGCDMO C[C@H]1CC(=O)CC[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143104043 804801575 /nfs/dbraw/zinc/80/15/75/804801575.db2.gz OLFAMMKCXUURER-LBPRGKRZSA-N 1 1 275.392 3.243 20 10 CGCDMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143103808 804801777 /nfs/dbraw/zinc/80/17/77/804801777.db2.gz KPOFZYKKQKGVGX-OCCSQVGLSA-N 1 1 277.408 3.035 20 10 CGCDMO CC[C@H]1COCC[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143112294 804804148 /nfs/dbraw/zinc/80/41/48/804804148.db2.gz PAAHGZRZXASXSI-AWEZNQCLSA-N 1 1 277.408 3.301 20 10 CGCDMO C[N@@H+](Cc1cncnc1)Cc1cccc(C(C)(C)C)c1O ZINC001143117116 804805586 /nfs/dbraw/zinc/80/55/86/804805586.db2.gz UODLCJWGGSPDOK-UHFFFAOYSA-N 1 1 285.391 3.112 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)[C@@H](C)CO1 ZINC001143117225 804805684 /nfs/dbraw/zinc/80/56/84/804805684.db2.gz YDNIWDYHKVFWMW-QWHCGFSZSA-N 1 1 277.408 3.299 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CCC[C@H](c3ccccc3)C2)c(O)c1 ZINC001144509277 804997227 /nfs/dbraw/zinc/99/72/27/804997227.db2.gz RNPPRLBGJQAUQD-AWEZNQCLSA-N 1 1 299.370 3.183 20 10 CGCDMO CC[N@@H+](CCOC)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249223262 805114774 /nfs/dbraw/zinc/11/47/74/805114774.db2.gz CYGJFJIABTVYFW-UHFFFAOYSA-N 1 1 291.391 3.045 20 10 CGCDMO Cc1cc(C[N@@H+]2CC[C@H](C)C2)c(O)cc1Br ZINC001250120932 805427753 /nfs/dbraw/zinc/42/77/53/805427753.db2.gz VIVBAZZRNLQNGH-VIFPVBQESA-N 1 1 284.197 3.305 20 10 CGCDMO CC[N@@H+](Cc1cc(C)c(Br)cc1O)C1CC1 ZINC001250120971 805428153 /nfs/dbraw/zinc/42/81/53/805428153.db2.gz WUSRENYSXOJZQJ-UHFFFAOYSA-N 1 1 284.197 3.447 20 10 CGCDMO C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001168128456 807316556 /nfs/dbraw/zinc/31/65/56/807316556.db2.gz QQJHGKPDPQCXTR-YJBOKZPZSA-N 1 1 288.435 3.286 20 10 CGCDMO C[C@@H](CC1CC1)[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001258469773 807467962 /nfs/dbraw/zinc/46/79/62/807467962.db2.gz BVWLRKWJJOSXMC-NSHDSACASA-N 1 1 261.365 3.035 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@@H](C)Cc1cccnc1 ZINC001258635282 807519708 /nfs/dbraw/zinc/51/97/08/807519708.db2.gz YSIQDYOWICYOER-AWEZNQCLSA-N 1 1 270.376 3.240 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCCOCC1 ZINC001170827863 807919141 /nfs/dbraw/zinc/91/91/41/807919141.db2.gz OIMACDDEYIGCJV-KRWDZBQOSA-N 1 1 288.435 3.288 20 10 CGCDMO Oc1ccc(F)cc1Nc1cc[nH+]c2ccccc12 ZINC001174037996 808835680 /nfs/dbraw/zinc/83/56/80/808835680.db2.gz CKRLQUVSDBWBIP-UHFFFAOYSA-N 1 1 254.264 3.245 20 10 CGCDMO COc1ccc(N2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cc1 ZINC001276924312 809045353 /nfs/dbraw/zinc/04/53/53/809045353.db2.gz HTTBAHBEQASAAP-QGZVFWFLSA-N 1 1 274.408 3.007 20 10 CGCDMO COc1ccc(N2CC3(CC[N@H+]3C3CCCC3)C2)c(C)c1 ZINC001277018296 809054536 /nfs/dbraw/zinc/05/45/36/809054536.db2.gz GVPLDHHNOZMHHS-UHFFFAOYSA-N 1 1 286.419 3.211 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCSC[C@H]2C2CC2)cc1 ZINC001176642063 809736236 /nfs/dbraw/zinc/73/62/36/809736236.db2.gz WAWYUDRZAKYRDB-KRWDZBQOSA-N 1 1 290.476 3.470 20 10 CGCDMO Cc1ccc(C[N@H+]2CCS[C@H](C(C)C)C2)c(O)c1 ZINC001180142973 809978398 /nfs/dbraw/zinc/97/83/98/809978398.db2.gz TVCXLIXDDVABCK-HNNXBMFYSA-N 1 1 265.422 3.274 20 10 CGCDMO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC001202101236 812015013 /nfs/dbraw/zinc/01/50/13/812015013.db2.gz GDNQLVCLSSHSKM-CABCVRRESA-N 1 1 299.361 3.354 20 10 CGCDMO CCC1(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)COC1 ZINC001202958855 812209953 /nfs/dbraw/zinc/20/99/53/812209953.db2.gz XJCQYLOOJAHWPU-UHFFFAOYSA-N 1 1 288.435 3.145 20 10 CGCDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1Cc1ccccc1O ZINC001203558612 812393654 /nfs/dbraw/zinc/39/36/54/812393654.db2.gz PPLIIFYKTNULDS-CQSZACIVSA-N 1 1 291.391 3.088 20 10 CGCDMO COc1cccc(C[N@@H+](C)CCc2cccc(C)c2)c1O ZINC001203595968 812404206 /nfs/dbraw/zinc/40/42/06/812404206.db2.gz VOJYWDOLDOALHJ-UHFFFAOYSA-N 1 1 285.387 3.384 20 10 CGCDMO CCOc1cccc(C[N@@H+]2Cc3ccc(F)cc3C2)c1O ZINC001203609539 812405224 /nfs/dbraw/zinc/40/52/24/812405224.db2.gz XVZKSKJTQRCCBO-UHFFFAOYSA-N 1 1 287.334 3.446 20 10 CGCDMO CCOc1cccc(C[N@H+]2Cc3ccc(F)cc3C2)c1O ZINC001203609539 812405226 /nfs/dbraw/zinc/40/52/26/812405226.db2.gz XVZKSKJTQRCCBO-UHFFFAOYSA-N 1 1 287.334 3.446 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)CC[C@]1(C)O ZINC001203651774 812415859 /nfs/dbraw/zinc/41/58/59/812415859.db2.gz UOYGQOCHHIBVRJ-ABAIWWIYSA-N 1 1 283.799 3.029 20 10 CGCDMO C[C@H]1C[C@@H](CF)[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203650796 812416307 /nfs/dbraw/zinc/41/63/07/812416307.db2.gz CQPDPPSJCFQLMU-CABZTGNLSA-N 1 1 257.736 3.226 20 10 CGCDMO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1ccc(O)c(O)c1 ZINC001203878460 812477765 /nfs/dbraw/zinc/47/77/65/812477765.db2.gz AENRJULDSRSZFO-GFCCVEGCSA-N 1 1 287.359 3.299 20 10 CGCDMO Oc1ccc(C[N@@H+](Cc2ccccc2)C2CC2)cc1O ZINC001203880474 812478075 /nfs/dbraw/zinc/47/80/75/812478075.db2.gz SWRJULMAODOATD-UHFFFAOYSA-N 1 1 269.344 3.262 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2ccc(O)c(O)c2)cc1C ZINC001203881945 812479664 /nfs/dbraw/zinc/47/96/64/812479664.db2.gz YPHSGQILQKVMFJ-UHFFFAOYSA-N 1 1 271.360 3.347 20 10 CGCDMO Cc1cccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001203891915 812483190 /nfs/dbraw/zinc/48/31/90/812483190.db2.gz AUSRVMBBANLWAE-UHFFFAOYSA-N 1 1 283.371 3.355 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CO)cc1 ZINC001203935331 812495520 /nfs/dbraw/zinc/49/55/20/812495520.db2.gz FBYGCHPPWADZEP-CRAIPNDOSA-N 1 1 290.451 3.126 20 10 CGCDMO COCC[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001203934656 812496441 /nfs/dbraw/zinc/49/64/41/812496441.db2.gz YWJDUUZVMPFMBH-KRWDZBQOSA-N 1 1 276.424 3.144 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCCCC23COC3)cc1 ZINC001203939148 812497100 /nfs/dbraw/zinc/49/71/00/812497100.db2.gz LJPVEVWOCCSTOG-UHFFFAOYSA-N 1 1 288.435 3.288 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccccn1 ZINC001204062160 812537816 /nfs/dbraw/zinc/53/78/16/812537816.db2.gz YFBUIEFEZGRJRO-UHFFFAOYSA-N 1 1 281.403 3.314 20 10 CGCDMO Oc1ccc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c(O)c1 ZINC001204277632 812593860 /nfs/dbraw/zinc/59/38/60/812593860.db2.gz HJQSKXYXIUBELS-CHWSQXEVSA-N 1 1 261.365 3.110 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)cc(O)c1O ZINC001204344536 812616618 /nfs/dbraw/zinc/61/66/18/812616618.db2.gz IFVXAHOPSUJWFR-KGLIPLIRSA-N 1 1 291.391 3.119 20 10 CGCDMO CC[N@H+](Cc1nc(C)cs1)Cc1ccccc1O ZINC001204380040 812623940 /nfs/dbraw/zinc/62/39/40/812623940.db2.gz YVRUBDPVKYMYMJ-UHFFFAOYSA-N 1 1 262.378 3.179 20 10 CGCDMO CC[N@@H+](Cc1nc(C)cs1)Cc1ccccc1O ZINC001204380040 812623947 /nfs/dbraw/zinc/62/39/47/812623947.db2.gz YVRUBDPVKYMYMJ-UHFFFAOYSA-N 1 1 262.378 3.179 20 10 CGCDMO CC(C)c1ccc(O)c(CN2CCC[N@H+]3CCC[C@@H]3C2)c1 ZINC001204423092 812633378 /nfs/dbraw/zinc/63/33/78/812633378.db2.gz VBBQBNHPVHBZDT-QGZVFWFLSA-N 1 1 288.435 3.186 20 10 CGCDMO CC[N@@H+](CCC(F)(F)F)Cc1c(C)cc(OC)cc1O ZINC001204565903 812678679 /nfs/dbraw/zinc/67/86/79/812678679.db2.gz QUMOFGNNCYGNQR-UHFFFAOYSA-N 1 1 291.313 3.484 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+]C/C=C/c1ccccc1 ZINC001204983573 812809265 /nfs/dbraw/zinc/80/92/65/812809265.db2.gz BKKPKYLSCAPWBS-QPJJXVBHSA-N 1 1 275.298 3.473 20 10 CGCDMO [NH3+][C@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001205116966 812874942 /nfs/dbraw/zinc/87/49/42/812874942.db2.gz KEEQDQSBAPZQLD-KRWDZBQOSA-N 1 1 296.414 3.372 20 10 CGCDMO [NH3+][C@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001205116966 812874952 /nfs/dbraw/zinc/87/49/52/812874952.db2.gz KEEQDQSBAPZQLD-KRWDZBQOSA-N 1 1 296.414 3.372 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])CC[C@@H]1C[NH3+] ZINC001205638444 813035525 /nfs/dbraw/zinc/03/55/25/813035525.db2.gz NXJHVFKOZMBQMM-GDBMZVCRSA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])CC[C@@H]1C[NH3+] ZINC001205638444 813035533 /nfs/dbraw/zinc/03/55/33/813035533.db2.gz NXJHVFKOZMBQMM-GDBMZVCRSA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)CC[C@H]1C[NH3+] ZINC001205636001 813036237 /nfs/dbraw/zinc/03/62/37/813036237.db2.gz BQLPOSMDYXVFDE-HOCLYGCPSA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)CC[C@H]1C[NH3+] ZINC001205636001 813036247 /nfs/dbraw/zinc/03/62/47/813036247.db2.gz BQLPOSMDYXVFDE-HOCLYGCPSA-N 1 1 298.430 3.352 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+]CCC1CC(F)(F)C1 ZINC001206160026 813219493 /nfs/dbraw/zinc/21/94/93/813219493.db2.gz VQEIRNGXWTUTBX-UHFFFAOYSA-N 1 1 277.261 3.195 20 10 CGCDMO C[C@H]1C[NH2+]CCCN1Cc1ccc(N(C)C)c2ccccc12 ZINC001206257343 813258304 /nfs/dbraw/zinc/25/83/04/813258304.db2.gz ATXKTGBTOANBPR-HNNXBMFYSA-N 1 1 297.446 3.090 20 10 CGCDMO C[C@]1(C[NH3+])CCC[N@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC001206318609 813287881 /nfs/dbraw/zinc/28/78/81/813287881.db2.gz RXAYSZCOQDTZRW-IBGZPJMESA-N 1 1 298.430 3.496 20 10 CGCDMO C[C@]1(C[NH3+])CCC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC001206318609 813287886 /nfs/dbraw/zinc/28/78/86/813287886.db2.gz RXAYSZCOQDTZRW-IBGZPJMESA-N 1 1 298.430 3.496 20 10 CGCDMO CC(C)c1ccc(CN2CCCC[C@@](F)(C[NH3+])C2)c(O)c1 ZINC001206370018 813305364 /nfs/dbraw/zinc/30/53/64/813305364.db2.gz KINOFKHEIZUGEJ-QGZVFWFLSA-N 1 1 294.414 3.169 20 10 CGCDMO CC(C)c1ccc(O)c(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC001207174028 813504631 /nfs/dbraw/zinc/50/46/31/813504631.db2.gz GNGJPDINTPVKGG-WBVHZDCISA-N 1 1 288.435 3.042 20 10 CGCDMO CC(C)c1ccc(O)c(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC001207174028 813504633 /nfs/dbraw/zinc/50/46/33/813504633.db2.gz GNGJPDINTPVKGG-WBVHZDCISA-N 1 1 288.435 3.042 20 10 CGCDMO CC(C)c1ccc(O)c(CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC001207174028 813504640 /nfs/dbraw/zinc/50/46/40/813504640.db2.gz GNGJPDINTPVKGG-WBVHZDCISA-N 1 1 288.435 3.042 20 10 CGCDMO CC(C)c1ccc(O)c(CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC001207174028 813504647 /nfs/dbraw/zinc/50/46/47/813504647.db2.gz GNGJPDINTPVKGG-WBVHZDCISA-N 1 1 288.435 3.042 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC001207621579 813618928 /nfs/dbraw/zinc/61/89/28/813618928.db2.gz HZVOXFRSBYJAGZ-UHFFFAOYSA-N 1 1 270.307 3.302 20 10 CGCDMO CC(C)CCC[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001208736761 813827560 /nfs/dbraw/zinc/82/75/60/813827560.db2.gz NUMCBHAILIBXNN-UHFFFAOYSA-N 1 1 263.381 3.282 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@H]2CO)cc1 ZINC001209516675 814071793 /nfs/dbraw/zinc/07/17/93/814071793.db2.gz LKXOIEAKBOGHRL-SFHVURJKSA-N 1 1 284.403 3.051 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)cc1 ZINC001209519158 814073043 /nfs/dbraw/zinc/07/30/43/814073043.db2.gz XQPMGGMHEXQGHC-ROUUACIJSA-N 1 1 282.387 3.067 20 10 CGCDMO Oc1cccc(Nc2ccc3c[nH+]ccc3c2)c1O ZINC001210047927 814265508 /nfs/dbraw/zinc/26/55/08/814265508.db2.gz PBIYJLSDRHOJTI-UHFFFAOYSA-N 1 1 252.273 3.390 20 10 CGCDMO Cn1c[nH+]cc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001211251274 814861590 /nfs/dbraw/zinc/86/15/90/814861590.db2.gz CYMRIHIEYLKMGD-UHFFFAOYSA-N 1 1 279.347 3.054 20 10 CGCDMO Nc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001218178872 816117972 /nfs/dbraw/zinc/11/79/72/816117972.db2.gz UIJBJPLDIZYCPM-GOSISDBHSA-N 1 1 282.387 3.312 20 10 CGCDMO O=C1C=CC(=N[N-]c2cccc[nH+]2)C(O[C@H]2CCC[NH2+]C2)=C1 ZINC001218282915 816151710 /nfs/dbraw/zinc/15/17/10/816151710.db2.gz FLZWQNBOMNTILR-XEXOPBTESA-N 1 1 298.346 3.333 20 10 CGCDMO CCCCCN1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC001231592280 818131147 /nfs/dbraw/zinc/13/11/47/818131147.db2.gz IKHYYNYDZKCFLO-UHFFFAOYSA-N 1 1 276.424 3.008 20 10 CGCDMO CCc1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)nc1 ZINC001231643051 818145619 /nfs/dbraw/zinc/14/56/19/818145619.db2.gz WYGFCYABPDVUSX-UHFFFAOYSA-N 1 1 298.386 3.004 20 10 CGCDMO CCc1ccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)nc1 ZINC001231643051 818145622 /nfs/dbraw/zinc/14/56/22/818145622.db2.gz WYGFCYABPDVUSX-UHFFFAOYSA-N 1 1 298.386 3.004 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@@](C)(F)[C@@H](F)C2)c(O)c1 ZINC001231842198 818186071 /nfs/dbraw/zinc/18/60/71/818186071.db2.gz KQMWGXDQMUEQRS-LSDHHAIUSA-N 1 1 269.335 3.281 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2c(C)cc(C)cc2O)CC1 ZINC001231846815 818187142 /nfs/dbraw/zinc/18/71/42/818187142.db2.gz PYGBXKBLONZGFX-AWEZNQCLSA-N 1 1 263.381 3.010 20 10 CGCDMO CCC[N@@H+](Cc1c(C)cc(C)cc1O)C1CCOCC1 ZINC001231849987 818189005 /nfs/dbraw/zinc/18/90/05/818189005.db2.gz YLYVIZZLLJKJLY-UHFFFAOYSA-N 1 1 277.408 3.400 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCCCC23COC3)cc1Cl ZINC001231870740 818193694 /nfs/dbraw/zinc/19/36/94/818193694.db2.gz RCZIPZCNVBSOSP-UHFFFAOYSA-N 1 1 281.783 3.109 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCCCC23COC3)cc1Cl ZINC001231870740 818193697 /nfs/dbraw/zinc/19/36/97/818193697.db2.gz RCZIPZCNVBSOSP-UHFFFAOYSA-N 1 1 281.783 3.109 20 10 CGCDMO CCN(CC)CC[N@H+](C)Cc1ccc2ccccc2c1O ZINC001231878461 818198015 /nfs/dbraw/zinc/19/80/15/818198015.db2.gz KSCPEPQLEGOUEJ-UHFFFAOYSA-N 1 1 286.419 3.319 20 10 CGCDMO CCN(CC)CC[N@@H+](C)Cc1ccc2ccccc2c1O ZINC001231878461 818198020 /nfs/dbraw/zinc/19/80/20/818198020.db2.gz KSCPEPQLEGOUEJ-UHFFFAOYSA-N 1 1 286.419 3.319 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CC[C@]1(C)O 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ZINC001308722112 933164068 /nfs/dbraw/zinc/16/40/68/933164068.db2.gz WVHGHFDYMCTQKI-QGZVFWFLSA-N 1 1 277.408 3.482 20 10 CGCDMO C[N@@H+](CCC[C@H]1CCO1)Cc1ccc(N2CCCC2)cc1 ZINC001308747714 933170357 /nfs/dbraw/zinc/17/03/57/933170357.db2.gz SBMSVPBGIYDZHB-SFHVURJKSA-N 1 1 288.435 3.288 20 10 CGCDMO CC(C)CCO[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001308882150 933196210 /nfs/dbraw/zinc/19/62/10/933196210.db2.gz DCGXKEQIEGETJF-CYBMUJFWSA-N 1 1 299.361 3.307 20 10 CGCDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001308882150 933196216 /nfs/dbraw/zinc/19/62/16/933196216.db2.gz DCGXKEQIEGETJF-CYBMUJFWSA-N 1 1 299.361 3.307 20 10 CGCDMO Oc1cc(Cl)cc(C[NH2+]Cc2c(O)cccc2F)c1 ZINC001308949247 933210035 /nfs/dbraw/zinc/21/00/35/933210035.db2.gz WYNGNXQNEIIQPG-UHFFFAOYSA-N 1 1 281.714 3.180 20 10 CGCDMO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1c(O)cccc1F ZINC001308947287 933210084 /nfs/dbraw/zinc/21/00/84/933210084.db2.gz BQUUXXBKLVNJND-VXGBXAGGSA-N 1 1 251.345 3.447 20 10 CGCDMO CC(C)(C)C[N@@H+](CCO)Cc1ccc(N2CCCC2)cc1 ZINC001319823567 933938340 /nfs/dbraw/zinc/93/83/40/933938340.db2.gz PFOANYLJZGXVSW-UHFFFAOYSA-N 1 1 290.451 3.127 20 10 CGCDMO CCN1CCC[C@H](C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC001324514631 934518435 /nfs/dbraw/zinc/51/84/35/934518435.db2.gz UYFLJFRWXOREOA-JKSUJKDBSA-N 1 1 290.451 3.392 20 10 CGCDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@@H](CF)C3)c2c1 ZINC001331044668 935345051 /nfs/dbraw/zinc/34/50/51/935345051.db2.gz BGPYHBKKAACAET-LBPRGKRZSA-N 1 1 289.350 3.345 20 10 CGCDMO C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC001331831985 935412830 /nfs/dbraw/zinc/41/28/30/935412830.db2.gz CKVZPRNRFKALBB-OLZOCXBDSA-N 1 1 272.392 3.052 20 10 CGCDMO Nc1ccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2F)cc1 ZINC001334753331 936112213 /nfs/dbraw/zinc/11/22/13/936112213.db2.gz CSQWNKQSDXUTRJ-SJORKVTESA-N 1 1 270.351 3.384 20 10 CGCDMO Nc1ccc(C[N@@H+](CCO)[C@H]2CCCc3ccccc32)cc1 ZINC001335284932 936137265 /nfs/dbraw/zinc/13/72/65/936137265.db2.gz IHYJKNBEBSHPCZ-IBGZPJMESA-N 1 1 296.414 3.141 20 10 CGCDMO Nc1ccc(C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cc1 ZINC001336118128 936176530 /nfs/dbraw/zinc/17/65/30/936176530.db2.gz DLYWMFFRYCUHKZ-KRWDZBQOSA-N 1 1 286.350 3.061 20 10 CGCDMO Nc1ccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC001336285246 936186257 /nfs/dbraw/zinc/18/62/57/936186257.db2.gz KGQPSHSKDAVVGC-INIZCTEOSA-N 1 1 296.370 3.335 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(C)cc2O)cc1F ZINC001474352675 937853531 /nfs/dbraw/zinc/85/35/31/937853531.db2.gz RQNMNWOBYKTBEI-UHFFFAOYSA-N 1 1 289.350 3.480 20 10 CGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(=O)[nH]c1 ZINC001474347710 937853664 /nfs/dbraw/zinc/85/36/64/937853664.db2.gz WBYSLMDKQHATCY-UHFFFAOYSA-N 1 1 299.418 3.264 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC001474393364 937857320 /nfs/dbraw/zinc/85/73/20/937857320.db2.gz OWLSWPOPJBNKGB-BLLLJJGKSA-N 1 1 264.388 3.241 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC001474546796 937866547 /nfs/dbraw/zinc/86/65/47/937866547.db2.gz PNECJYCGTHWHMC-HOTGVXAUSA-N 1 1 293.794 3.189 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC001474546796 937866548 /nfs/dbraw/zinc/86/65/48/937866548.db2.gz PNECJYCGTHWHMC-HOTGVXAUSA-N 1 1 293.794 3.189 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC001474718657 937876632 /nfs/dbraw/zinc/87/66/32/937876632.db2.gz NTNPHFMEWXQQME-MRXNPFEDSA-N 1 1 290.313 3.306 20 10 CGCDMO CCCOc1ccc(CNCC(C)(C)[NH+](C)C)cc1C ZINC001560247775 938249213 /nfs/dbraw/zinc/24/92/13/938249213.db2.gz YUTWWFABCIBONX-UHFFFAOYSA-N 1 1 278.440 3.214 20 10 CGCDMO CN(C)c1ccc(C[NH2+]Cc2nc3ccccc3o2)cc1F ZINC001560298910 938251869 /nfs/dbraw/zinc/25/18/69/938251869.db2.gz XZKCYVXXVVNBGT-UHFFFAOYSA-N 1 1 299.349 3.323 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCc1cccc(F)c1F ZINC001560332500 938253479 /nfs/dbraw/zinc/25/34/79/938253479.db2.gz MAZXOUVUUVCHBP-UHFFFAOYSA-N 1 1 299.267 3.281 20 10 CGCDMO CCC[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC001560661535 938268766 /nfs/dbraw/zinc/26/87/66/938268766.db2.gz DUGHSRIHSMKVQB-CYBMUJFWSA-N 1 1 293.407 3.422 20 10 CGCDMO CCOC(=O)C[N@H+](Cc1cc(Cl)c(C)cc1O)C(C)C ZINC001560681028 938269583 /nfs/dbraw/zinc/26/95/83/938269583.db2.gz SCYVDVISXLIYGZ-UHFFFAOYSA-N 1 1 299.798 3.128 20 10 CGCDMO CCOC(=O)C[N@@H+](Cc1cc(Cl)c(C)cc1O)C(C)C ZINC001560681028 938269584 /nfs/dbraw/zinc/26/95/84/938269584.db2.gz SCYVDVISXLIYGZ-UHFFFAOYSA-N 1 1 299.798 3.128 20 10 CGCDMO CC[C@H](C)[N@@H+](CCO)Cc1cc(C(C)C)ccc1O ZINC001560835661 938278850 /nfs/dbraw/zinc/27/88/50/938278850.db2.gz VNIGFFNGPVPUEA-ZDUSSCGKSA-N 1 1 265.397 3.108 20 10 CGCDMO CC[N@H+](Cc1ccccn1)Cc1c(O)cccc1Cl ZINC000124808257 370927495 /nfs/dbraw/zinc/92/74/95/370927495.db2.gz BFOVFMZAQHQCBB-UHFFFAOYSA-N 1 1 276.767 3.463 20 10 CGCDMO CC[N@@H+](Cc1ccccn1)Cc1c(O)cccc1Cl ZINC000124808257 370927499 /nfs/dbraw/zinc/92/74/99/370927499.db2.gz BFOVFMZAQHQCBB-UHFFFAOYSA-N 1 1 276.767 3.463 20 10 CGCDMO COc1ccc(N2CCC[N@@H+](Cc3ccco3)CC2)cc1 ZINC000092380789 370095059 /nfs/dbraw/zinc/09/50/59/370095059.db2.gz VXRLPAOTQFUAHL-UHFFFAOYSA-N 1 1 286.375 3.001 20 10 CGCDMO Oc1ccccc1C[N@@H+](C/C=C/Cl)C[C@@H]1CCCO1 ZINC000135208599 371401697 /nfs/dbraw/zinc/40/16/97/371401697.db2.gz RTOQCLJBZJAQHH-PXYYCUNGSA-N 1 1 281.783 3.126 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)ccc1N(C)C ZINC000293840704 372497291 /nfs/dbraw/zinc/49/72/91/372497291.db2.gz QMAZQTUIIDPZLC-INIZCTEOSA-N 1 1 298.434 3.164 20 10 CGCDMO Oc1ccccc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000179586073 373890806 /nfs/dbraw/zinc/89/08/06/373890806.db2.gz JMVBIJNOGTVQCN-HOCLYGCPSA-N 1 1 287.359 3.073 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)C(C2CC2)C2CC2)c1 ZINC000179923165 373940054 /nfs/dbraw/zinc/94/00/54/373940054.db2.gz HAQZCZXJTSGWQY-UHFFFAOYSA-N 1 1 261.365 3.021 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCCC[C@@H](SC)C2)c1 ZINC000180763434 374042235 /nfs/dbraw/zinc/04/22/35/374042235.db2.gz XNZRWVDBMWLWMD-CQSZACIVSA-N 1 1 281.421 3.118 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](C)[C@@H](C)c2ccncc2)c1 ZINC000183712167 374445305 /nfs/dbraw/zinc/44/53/05/374445305.db2.gz AXTZPRGJBJDYFW-ZDUSSCGKSA-N 1 1 256.349 3.289 20 10 CGCDMO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000479435660 375151508 /nfs/dbraw/zinc/15/15/08/375151508.db2.gz GSFPXCNEXMQHBB-CKEIUWERSA-N 1 1 299.462 3.305 20 10 CGCDMO Cc1c2ccccc2n(C)c1CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000479435660 375151513 /nfs/dbraw/zinc/15/15/13/375151513.db2.gz GSFPXCNEXMQHBB-CKEIUWERSA-N 1 1 299.462 3.305 20 10 CGCDMO Cc1c2ccccc2n(C)c1CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000479435660 375151519 /nfs/dbraw/zinc/15/15/19/375151519.db2.gz GSFPXCNEXMQHBB-CKEIUWERSA-N 1 1 299.462 3.305 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000191603802 375644433 /nfs/dbraw/zinc/64/44/33/375644433.db2.gz QRJQCNDNDHHNHI-IINYFYTJSA-N 1 1 299.773 3.232 20 10 CGCDMO C[C@H](CCO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000192882616 375797172 /nfs/dbraw/zinc/79/71/72/375797172.db2.gz ZQYUZVUYSMFOPF-SFYZADRCSA-N 1 1 278.179 3.121 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCCCO2)c1O ZINC000228631109 376444065 /nfs/dbraw/zinc/44/40/65/376444065.db2.gz JKVDJUTZNHWLJA-ZDUSSCGKSA-N 1 1 299.798 3.055 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)CCN(C)C)c1ccc(N(C)C)cc1 ZINC000268981136 378164900 /nfs/dbraw/zinc/16/49/00/378164900.db2.gz HSEFTLWBKCTOLC-WMLDXEAASA-N 1 1 277.456 3.134 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC3(CCOCC3)[C@H]2C)c1 ZINC000375236865 379488408 /nfs/dbraw/zinc/48/84/08/379488408.db2.gz KBJVPOYWEWIJNL-CQSZACIVSA-N 1 1 275.392 3.092 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC=C(Br)C2)c1 ZINC000282427173 379918123 /nfs/dbraw/zinc/91/81/23/379918123.db2.gz SXUBMEZZJFWUFE-UHFFFAOYSA-N 1 1 282.181 3.185 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CCCOCC1)c1ccc(F)cc1O ZINC000286028757 380159106 /nfs/dbraw/zinc/15/91/06/380159106.db2.gz JAMYRQGJWGHUIN-OCCSQVGLSA-N 1 1 267.344 3.141 20 10 CGCDMO Oc1c(F)cccc1C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000367350931 382344959 /nfs/dbraw/zinc/34/49/59/382344959.db2.gz ZCCJCXXRFHKZMK-AWEZNQCLSA-N 1 1 287.334 3.015 20 10 CGCDMO CC[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc(N(C)C)cc1 ZINC000368100865 382364105 /nfs/dbraw/zinc/36/41/05/382364105.db2.gz IPQMAJPTTNWQGY-GOEBONIOSA-N 1 1 298.434 3.074 20 10 CGCDMO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)cc1 ZINC000368105565 382366465 /nfs/dbraw/zinc/36/64/65/382366465.db2.gz UDYAHSXMSPDCHZ-ZFWWWQNUSA-N 1 1 298.434 3.074 20 10 CGCDMO CCc1ccccc1NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000109773342 392372350 /nfs/dbraw/zinc/37/23/50/392372350.db2.gz AUPKILVFMHWRBA-UHFFFAOYSA-N 1 1 298.386 3.025 20 10 CGCDMO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000109773342 392372354 /nfs/dbraw/zinc/37/23/54/392372354.db2.gz AUPKILVFMHWRBA-UHFFFAOYSA-N 1 1 298.386 3.025 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1C ZINC000121038171 392406269 /nfs/dbraw/zinc/40/62/69/392406269.db2.gz QDZUQDSFUCCBHP-QGZVFWFLSA-N 1 1 298.386 3.057 20 10 CGCDMO Cc1nc(C)c(C[N@H+](C)Cc2ccccc2O)s1 ZINC000172798592 392621239 /nfs/dbraw/zinc/62/12/39/392621239.db2.gz XSJRHRVXYOVFLS-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCCO1 ZINC000179394523 392699985 /nfs/dbraw/zinc/69/99/85/392699985.db2.gz VCNKQWKFSAJYCG-MRXNPFEDSA-N 1 1 288.435 3.288 20 10 CGCDMO Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185501320 262056828 /nfs/dbraw/zinc/05/68/28/262056828.db2.gz NPPUOBAUXDUJSN-ZJUUUORDSA-N 1 1 292.354 3.418 20 10 CGCDMO C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(F)cc1O ZINC000185528920 262058774 /nfs/dbraw/zinc/05/87/74/262058774.db2.gz IMLNITYOIRYPQF-ZUZCIYMTSA-N 1 1 295.379 3.151 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(F)cc1O ZINC000185772216 262070041 /nfs/dbraw/zinc/07/00/41/262070041.db2.gz NZNVAKHPMVPCHW-HPGNRBDVSA-N 1 1 279.355 3.140 20 10 CGCDMO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2O)n[nH]1 ZINC000186130623 262081193 /nfs/dbraw/zinc/08/11/93/262081193.db2.gz GTNRFFPTHMLBRC-KOLCDFICSA-N 1 1 293.798 3.359 20 10 CGCDMO CC[C@H]([NH2+]C[C@](C)(OC)C1CC1)c1ccc(F)cc1O ZINC000291084967 263120074 /nfs/dbraw/zinc/12/00/74/263120074.db2.gz CHPNNHOEUPNDAZ-HOCLYGCPSA-N 1 1 281.371 3.387 20 10 CGCDMO CCn1cc([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2O)cn1 ZINC000296111744 263186148 /nfs/dbraw/zinc/18/61/48/263186148.db2.gz ZMAVINWQIVFMSC-WDEREUQCSA-N 1 1 277.343 3.160 20 10 CGCDMO O[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000294176858 265000299 /nfs/dbraw/zinc/00/02/99/265000299.db2.gz WQVXEQCOVKXEMF-SFHVURJKSA-N 1 1 288.435 3.024 20 10 CGCDMO COC[C@@H]1CCCC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000368666481 267196217 /nfs/dbraw/zinc/19/62/17/267196217.db2.gz MADJKSUMWJFKJR-OAHLLOKOSA-N 1 1 277.408 3.258 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@@H](c3ccco3)C2)c1O ZINC000371332258 267392462 /nfs/dbraw/zinc/39/24/62/267392462.db2.gz OBYZFJZRSOMJKO-CYBMUJFWSA-N 1 1 287.359 3.373 20 10 CGCDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)c2nccn21 ZINC000295346076 274393042 /nfs/dbraw/zinc/39/30/42/274393042.db2.gz YOHPSTHMGGHNIY-RHSMWYFYSA-N 1 1 296.418 3.279 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000378347513 329047250 /nfs/dbraw/zinc/04/72/50/329047250.db2.gz JHZCRRNKBKJSTB-CYBMUJFWSA-N 1 1 261.365 3.023 20 10 CGCDMO COc1cccc(C[N@H+]2Cc3ccccc3C3(CC3)C2)c1O ZINC000187678220 329362042 /nfs/dbraw/zinc/36/20/42/329362042.db2.gz FZJLYMJDCLVCMN-UHFFFAOYSA-N 1 1 295.382 3.448 20 10 CGCDMO CCOc1ccc(O)c(C[NH+]2CC(OC(C)(C)CC)C2)c1 ZINC000529639308 333502578 /nfs/dbraw/zinc/50/25/78/333502578.db2.gz AVWBUNNCQSGTSJ-UHFFFAOYSA-N 1 1 293.407 3.180 20 10 CGCDMO CCCC[N@H+](C)C[C@@H](C)NCc1cccc(OCC)c1O ZINC000289903594 520413553 /nfs/dbraw/zinc/41/35/53/520413553.db2.gz RCEVCHZPRAYFBK-CQSZACIVSA-N 1 1 294.439 3.001 20 10 CGCDMO CCCC[N@@H+](C)C[C@@H](C)NCc1cccc(OCC)c1O ZINC000289903594 520413561 /nfs/dbraw/zinc/41/35/61/520413561.db2.gz RCEVCHZPRAYFBK-CQSZACIVSA-N 1 1 294.439 3.001 20 10 CGCDMO CC[N@@H+](Cc1ccncc1)Cc1cc(C)ccc1O ZINC000289795170 521419423 /nfs/dbraw/zinc/41/94/23/521419423.db2.gz MGNXKIFGBTWGOR-UHFFFAOYSA-N 1 1 256.349 3.118 20 10 CGCDMO CCCc1noc(C[N@@H+](CCC)Cc2ccccc2O)n1 ZINC000076074114 521583067 /nfs/dbraw/zinc/58/30/67/521583067.db2.gz IFKMKSANHVKSBK-UHFFFAOYSA-N 1 1 289.379 3.140 20 10 CGCDMO CCCc1noc(C[N@H+](CCC)Cc2ccccc2O)n1 ZINC000076074114 521583075 /nfs/dbraw/zinc/58/30/75/521583075.db2.gz IFKMKSANHVKSBK-UHFFFAOYSA-N 1 1 289.379 3.140 20 10 CGCDMO CCC[N@@H+](Cc1ncc(C)o1)Cc1ccccc1O ZINC000076074017 521695198 /nfs/dbraw/zinc/69/51/98/521695198.db2.gz RKTUUTVDNRXYCS-UHFFFAOYSA-N 1 1 260.337 3.101 20 10 CGCDMO COc1c(O)c(C[NH2+]C2CCCCCC2)ccc1[N+](=O)[O-] ZINC000278835952 521874810 /nfs/dbraw/zinc/87/48/10/521874810.db2.gz JGQJFOHCDYDDEJ-UHFFFAOYSA-N 1 1 294.351 3.121 20 10 CGCDMO COC[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000096832848 522844143 /nfs/dbraw/zinc/84/41/43/522844143.db2.gz HEWHACZVEIGFFZ-ZDUSSCGKSA-N 1 1 271.360 3.014 20 10 CGCDMO CCc1nocc1C[N@@H+](C)Cc1cc(C)c(C)cc1O ZINC000293531179 522930508 /nfs/dbraw/zinc/93/05/08/522930508.db2.gz BWKSUJCDGRJNCJ-UHFFFAOYSA-N 1 1 274.364 3.191 20 10 CGCDMO CO[C@@H](C)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000278670625 523421457 /nfs/dbraw/zinc/42/14/57/523421457.db2.gz JDUNEJNWLLYTJI-JGVFFNPUSA-N 1 1 278.179 3.385 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2cc3c(cc2O)OCO3)s1 ZINC000102766021 524396472 /nfs/dbraw/zinc/39/64/72/524396472.db2.gz DUDLJBYTBLGJQY-UHFFFAOYSA-N 1 1 291.372 3.123 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)Cc2nccs2)cc1C ZINC000080584372 525311193 /nfs/dbraw/zinc/31/11/93/525311193.db2.gz DMMRFQPBFDLAIP-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2nccs2)cc1C ZINC000080584372 525311202 /nfs/dbraw/zinc/31/12/02/525311202.db2.gz DMMRFQPBFDLAIP-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO C[C@]12CC[N@@H+](Cc3cc(F)ccc3O)C[C@H]1C2(F)F ZINC000292782973 525346456 /nfs/dbraw/zinc/34/64/56/525346456.db2.gz LNSXVRRXCCVVRA-OLZOCXBDSA-N 1 1 271.282 3.008 20 10 CGCDMO C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(F)cc1O ZINC000062744988 525383568 /nfs/dbraw/zinc/38/35/68/525383568.db2.gz VNYZMEMQFCCXHV-FZMZJTMJSA-N 1 1 292.354 3.078 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H](C)CCO)c1cc(Cl)c(Cl)cc1O ZINC000278652487 525469611 /nfs/dbraw/zinc/46/96/11/525469611.db2.gz IFJLSGPHFRURAY-DTWKUNHWSA-N 1 1 292.206 3.368 20 10 CGCDMO CC[N@@H+](CCc1ccccn1)Cc1ccc(N(C)C)cc1 ZINC000726984760 571697653 /nfs/dbraw/zinc/69/76/53/571697653.db2.gz WLRHHEGIIBKZQJ-UHFFFAOYSA-N 1 1 283.419 3.212 20 10 CGCDMO CSCC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000733614119 572591842 /nfs/dbraw/zinc/59/18/42/572591842.db2.gz YGARBTFJFQLLSB-UHFFFAOYSA-N 1 1 265.422 3.500 20 10 CGCDMO OCCCCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000744398652 572750221 /nfs/dbraw/zinc/75/02/21/572750221.db2.gz XEPCZPVMKGDZNE-UHFFFAOYSA-N 1 1 289.375 3.150 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1ncc[nH]1 ZINC000286052974 617622539 /nfs/dbraw/zinc/62/25/39/617622539.db2.gz LBWYNPDGFRIXLM-OAHLLOKOSA-N 1 1 298.434 3.497 20 10 CGCDMO CCC(C)(C)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000069441518 618168745 /nfs/dbraw/zinc/16/87/45/618168745.db2.gz RIEKJRZRXWDHRU-UHFFFAOYSA-N 1 1 267.344 3.354 20 10 CGCDMO CCC(C)(C)[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000069441518 618168752 /nfs/dbraw/zinc/16/87/52/618168752.db2.gz RIEKJRZRXWDHRU-UHFFFAOYSA-N 1 1 267.344 3.354 20 10 CGCDMO COc1ccc(C[N@@H+](C)CC2CCCCC2)c(O)c1OC ZINC000891563765 618239300 /nfs/dbraw/zinc/23/93/00/618239300.db2.gz DTFVPKDIHCDISJ-UHFFFAOYSA-N 1 1 293.407 3.422 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c1 ZINC000092541135 618383969 /nfs/dbraw/zinc/38/39/69/618383969.db2.gz TZQHUZPFQAGXQX-TXEJJXNPSA-N 1 1 251.395 3.026 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(F)nc1 ZINC000189279065 619091482 /nfs/dbraw/zinc/09/14/82/619091482.db2.gz UBVNJNDIVJYFEP-UHFFFAOYSA-N 1 1 287.382 3.309 20 10 CGCDMO CC[N@@H+](CCC(F)(F)F)Cc1cc(C)ccc1O ZINC000092753850 619126281 /nfs/dbraw/zinc/12/62/81/619126281.db2.gz JGKQAYPNLXPTCT-UHFFFAOYSA-N 1 1 261.287 3.475 20 10 CGCDMO CCOC[C@H]1CCCC[N@H+]1Cc1c(O)cccc1Cl ZINC000313481706 619175525 /nfs/dbraw/zinc/17/55/25/619175525.db2.gz HTXBSBXADBDGJZ-GFCCVEGCSA-N 1 1 283.799 3.437 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)Cc2cccc(O)c2)c1O ZINC000893863987 619324020 /nfs/dbraw/zinc/32/40/20/619324020.db2.gz ODEFKDQHFPZKPZ-UHFFFAOYSA-N 1 1 287.359 3.047 20 10 CGCDMO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185418051 625357182 /nfs/dbraw/zinc/35/71/82/625357182.db2.gz VYULYWOTYBZQCU-GXTWGEPZSA-N 1 1 280.387 3.056 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCSC[C@@H]2C2CC2)c1O ZINC000894904176 619679054 /nfs/dbraw/zinc/67/90/54/619679054.db2.gz FSAYLFRBWZMGTJ-CQSZACIVSA-N 1 1 293.432 3.037 20 10 CGCDMO Cc1nccn1CCC[N@H+](C)Cc1cc(C)cc(C)c1O ZINC000164538856 619713975 /nfs/dbraw/zinc/71/39/75/619713975.db2.gz QAQYZSHDRVTTRJ-UHFFFAOYSA-N 1 1 287.407 3.036 20 10 CGCDMO CCC[N@@H+](Cc1ccc(OC)c(OC)c1O)C(C)C ZINC000895204701 619779983 /nfs/dbraw/zinc/77/99/83/619779983.db2.gz HYPPMCJUOLULAM-UHFFFAOYSA-N 1 1 267.369 3.030 20 10 CGCDMO Cc1cc(C[N@H+]2Cc3cccc(O)c3C2)c2c(n1)CCCC2 ZINC000895784182 619884798 /nfs/dbraw/zinc/88/47/98/619884798.db2.gz DKASGVGUMVYUQT-UHFFFAOYSA-N 1 1 294.398 3.490 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c(Cl)c1 ZINC000895778625 619885024 /nfs/dbraw/zinc/88/50/24/619885024.db2.gz AXZVHIIQXRZQBY-PHIMTYICSA-N 1 1 283.824 3.149 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000896585739 620031930 /nfs/dbraw/zinc/03/19/30/620031930.db2.gz WZFFEUVRCJJCMX-MRXNPFEDSA-N 1 1 288.435 3.288 20 10 CGCDMO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1c(O)cccc1F ZINC000896644474 620040709 /nfs/dbraw/zinc/04/07/09/620040709.db2.gz WPLGVUGZGRURNF-PXAZEXFGSA-N 1 1 289.350 3.397 20 10 CGCDMO C[C@@H](Cc1ccsc1)[NH2+]Cc1c(O)cccc1F ZINC000896636597 620040944 /nfs/dbraw/zinc/04/09/44/620040944.db2.gz GOQDDTKTDZZCDB-JTQLQIEISA-N 1 1 265.353 3.314 20 10 CGCDMO CC(C)C[C@H](C[NH3+])NCc1ccc(N2CCCCC2)cc1 ZINC000841039015 620516522 /nfs/dbraw/zinc/51/65/22/620516522.db2.gz XEUJGKCZZBMWIM-QGZVFWFLSA-N 1 1 289.467 3.140 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000898512163 620593648 /nfs/dbraw/zinc/59/36/48/620593648.db2.gz IINYIGTWHHMGBR-JKSUJKDBSA-N 1 1 289.419 3.339 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCCS1)c1ccc(F)cc1O ZINC000149591416 622346094 /nfs/dbraw/zinc/34/60/94/622346094.db2.gz DFBZKSNSPBGYHP-GXSJLCMTSA-N 1 1 255.358 3.078 20 10 CGCDMO CS[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000226610379 622987037 /nfs/dbraw/zinc/98/70/37/622987037.db2.gz ZFIOSFNQIVTECY-CHWSQXEVSA-N 1 1 269.385 3.295 20 10 CGCDMO CC(C)[N@@H+](Cc1c(O)ccc2ccncc21)C1CC1 ZINC000915202336 623915802 /nfs/dbraw/zinc/91/58/02/623915802.db2.gz AJWLVTHZYPBZSD-UHFFFAOYSA-N 1 1 256.349 3.313 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)Cc2cccc(F)c2)c1 ZINC000179560860 624665746 /nfs/dbraw/zinc/66/57/46/624665746.db2.gz GAABWOQLFAXXPH-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO Cc1cccc(C[N@@H+](C)Cc2ccc(F)cc2)c1O ZINC000179575747 624665939 /nfs/dbraw/zinc/66/59/39/624665939.db2.gz VWNIQJSTVVTKTR-UHFFFAOYSA-N 1 1 259.324 3.472 20 10 CGCDMO CSCC[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1O ZINC000180179884 624724031 /nfs/dbraw/zinc/72/40/31/624724031.db2.gz FTNYNLJYBIVORU-SNVBAGLBSA-N 1 1 257.374 3.105 20 10 CGCDMO CC(C)[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCS1 ZINC000180250326 624729785 /nfs/dbraw/zinc/72/97/85/624729785.db2.gz OPLBYPUSRIAGBS-CQSZACIVSA-N 1 1 269.385 3.105 20 10 CGCDMO Cc1ccc(C[N@@H+](CCO)Cc2cc(C)c(C)cc2O)cc1 ZINC000180846629 624777460 /nfs/dbraw/zinc/77/74/60/624777460.db2.gz ZIMAZRWUZNDDLR-UHFFFAOYSA-N 1 1 299.414 3.312 20 10 CGCDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000124572907 634428229 /nfs/dbraw/zinc/42/82/29/634428229.db2.gz GFZVNZNTYVLOJA-IINYFYTJSA-N 1 1 279.355 3.497 20 10 CGCDMO Cc1ccc([C@H](C)[NH2+]CC2(CN(C)C)CCCC2)c(O)c1 ZINC000183950084 625180389 /nfs/dbraw/zinc/18/03/89/625180389.db2.gz BYVRIBYOUNUBDR-HNNXBMFYSA-N 1 1 290.451 3.473 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)[C@H](C)CO1 ZINC000075582737 625182624 /nfs/dbraw/zinc/18/26/24/625182624.db2.gz ARRGNVDPPDXZSA-CHWSQXEVSA-N 1 1 271.360 3.155 20 10 CGCDMO Oc1ccc(Cl)cc1C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000922578946 626015146 /nfs/dbraw/zinc/01/51/46/626015146.db2.gz FYDFNEZVVPVQQP-CQSZACIVSA-N 1 1 289.766 3.077 20 10 CGCDMO C[C@@H](NCC[N@H+](C)C1CCCCC1)c1cc(F)ccc1O ZINC000756454573 626092940 /nfs/dbraw/zinc/09/29/40/626092940.db2.gz GOJBGMXEZBGSGP-CYBMUJFWSA-N 1 1 294.414 3.446 20 10 CGCDMO C[C@@H](NCC[N@@H+](C)C1CCCCC1)c1cc(F)ccc1O ZINC000756454573 626092942 /nfs/dbraw/zinc/09/29/42/626092942.db2.gz GOJBGMXEZBGSGP-CYBMUJFWSA-N 1 1 294.414 3.446 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@]12C[C@H]1CCC2 ZINC000923022971 626119653 /nfs/dbraw/zinc/11/96/53/626119653.db2.gz DUJPDARUKCHWQE-AMIZOPFISA-N 1 1 255.720 3.217 20 10 CGCDMO C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc(Cl)ccc1O ZINC000840809650 626196358 /nfs/dbraw/zinc/19/63/58/626196358.db2.gz MODNLYFWRDPGRD-CHWSQXEVSA-N 1 1 296.842 3.428 20 10 CGCDMO C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cc(Cl)ccc1[O-] ZINC000840809650 626196360 /nfs/dbraw/zinc/19/63/60/626196360.db2.gz MODNLYFWRDPGRD-CHWSQXEVSA-N 1 1 296.842 3.428 20 10 CGCDMO C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc(Cl)ccc1[O-] ZINC000840809650 626196363 /nfs/dbraw/zinc/19/63/63/626196363.db2.gz MODNLYFWRDPGRD-CHWSQXEVSA-N 1 1 296.842 3.428 20 10 CGCDMO COc1ncc(C[N@@H+](C)Cc2ccccc2O)cc1Cl ZINC000752018772 626415449 /nfs/dbraw/zinc/41/54/49/626415449.db2.gz SQQRTNVQGBJWCG-UHFFFAOYSA-N 1 1 292.766 3.081 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)CC(C)(C)COC ZINC000756075780 626675211 /nfs/dbraw/zinc/67/52/11/626675211.db2.gz ITBKPESYTXXZBX-UHFFFAOYSA-N 1 1 278.440 3.247 20 10 CGCDMO CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756396216 626701135 /nfs/dbraw/zinc/70/11/35/626701135.db2.gz HUWONPOXIVGMBR-GFCCVEGCSA-N 1 1 284.831 3.427 20 10 CGCDMO CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756396216 626701137 /nfs/dbraw/zinc/70/11/37/626701137.db2.gz HUWONPOXIVGMBR-GFCCVEGCSA-N 1 1 284.831 3.427 20 10 CGCDMO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000756454839 626706794 /nfs/dbraw/zinc/70/67/94/626706794.db2.gz ONRWXHXGFLLYDZ-SDDRHHMPSA-N 1 1 279.380 3.264 20 10 CGCDMO Cc1occc1C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756483758 626708843 /nfs/dbraw/zinc/70/88/43/626708843.db2.gz XJWTUJAZKKDADY-QMMMGPOBSA-N 1 1 267.275 3.423 20 10 CGCDMO C[C@@H]([NH2+]CCc1nccs1)c1cc(F)cc(F)c1O ZINC000756507770 626710665 /nfs/dbraw/zinc/71/06/65/626710665.db2.gz FEYIUILPGNYGFJ-MRVPVSSYSA-N 1 1 284.331 3.020 20 10 CGCDMO CC[NH+](CC)C[C@H](C)N[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756536407 626713280 /nfs/dbraw/zinc/71/32/80/626713280.db2.gz VKAUFONCDBLXJZ-MBNYWOFBSA-N 1 1 294.414 3.400 20 10 CGCDMO C[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1ccc(F)cc1O ZINC000756710157 626727158 /nfs/dbraw/zinc/72/71/58/626727158.db2.gz BKGVQSFKRBRBFJ-BONVTDFDSA-N 1 1 293.313 3.055 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)CC(C)C)c1 ZINC000756766718 626730209 /nfs/dbraw/zinc/73/02/09/626730209.db2.gz BPFHAPFLYHYVQN-NEPJUHHUSA-N 1 1 279.380 3.264 20 10 CGCDMO CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)[nH]1 ZINC000756776770 626731447 /nfs/dbraw/zinc/73/14/47/626731447.db2.gz DDGCOQYLBSNDFQ-UWVGGRQHSA-N 1 1 292.358 3.185 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2c(O)cccc2Cl)cn1 ZINC000757917779 626813650 /nfs/dbraw/zinc/81/36/50/626813650.db2.gz PAASHOPVOAJUJV-UHFFFAOYSA-N 1 1 292.766 3.081 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H](C)OC)cc1F ZINC000809717403 626859691 /nfs/dbraw/zinc/85/96/91/626859691.db2.gz HPSUAHGLIZSOLT-ZDUSSCGKSA-N 1 1 282.403 3.139 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+](C)Cc2cc(C)no2)cc1 ZINC000764821665 627226978 /nfs/dbraw/zinc/22/69/78/627226978.db2.gz COESKAFVRFKPBZ-UHFFFAOYSA-N 1 1 287.407 3.461 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cc(C)no2)cc1 ZINC000764821665 627226980 /nfs/dbraw/zinc/22/69/80/627226980.db2.gz COESKAFVRFKPBZ-UHFFFAOYSA-N 1 1 287.407 3.461 20 10 CGCDMO CC(C)n1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000766095943 627295665 /nfs/dbraw/zinc/29/56/65/627295665.db2.gz SOELNETWQMRDNP-CQSZACIVSA-N 1 1 286.423 3.381 20 10 CGCDMO CN(C)c1ccc(CNc2[nH+]c3ccc(F)cc3n2C)cc1 ZINC000766519275 627340449 /nfs/dbraw/zinc/34/04/49/627340449.db2.gz FDPFUXFARZAWGF-UHFFFAOYSA-N 1 1 298.365 3.391 20 10 CGCDMO C[N@@H+](CCOC(C)(C)C)Cc1c(O)ccc2ccncc21 ZINC000767775582 627436238 /nfs/dbraw/zinc/43/62/38/627436238.db2.gz IPLSZPWQERXTQH-UHFFFAOYSA-N 1 1 288.391 3.187 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)[C@@H](C)C(C)C)c(O)c1 ZINC000768269327 627471920 /nfs/dbraw/zinc/47/19/20/627471920.db2.gz MRRYISQFYINRMS-LBPRGKRZSA-N 1 1 251.370 3.267 20 10 CGCDMO CCCCC[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)C(C)C ZINC000768439906 627479888 /nfs/dbraw/zinc/47/98/88/627479888.db2.gz PBSYFZGCVFCSQW-MRXNPFEDSA-N 1 1 293.407 3.219 20 10 CGCDMO COCC[N@@H+](CCc1ccccc1)Cc1cc(C)ccc1O ZINC000768587441 627487945 /nfs/dbraw/zinc/48/79/45/627487945.db2.gz XCXPPOXBBFHFAE-UHFFFAOYSA-N 1 1 299.414 3.392 20 10 CGCDMO CCOC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)CC(C)C ZINC000768761502 627496936 /nfs/dbraw/zinc/49/69/36/627496936.db2.gz DTHHGNAHANGIFF-UHFFFAOYSA-N 1 1 299.798 3.067 20 10 CGCDMO CCOC(=O)C[N@H+](Cc1cc(Cl)ccc1O)CC(C)C ZINC000768761502 627496939 /nfs/dbraw/zinc/49/69/39/627496939.db2.gz DTHHGNAHANGIFF-UHFFFAOYSA-N 1 1 299.798 3.067 20 10 CGCDMO CC[N@@H+](CCC(F)(F)F)Cc1c(O)cccc1OC ZINC000769224907 627531780 /nfs/dbraw/zinc/53/17/80/627531780.db2.gz FFEGPGFFUNCODH-UHFFFAOYSA-N 1 1 277.286 3.175 20 10 CGCDMO CC[N@@H+](Cc1ccc(O)cc1)Cc1ccc(N(C)C)cc1 ZINC000769232702 627532505 /nfs/dbraw/zinc/53/25/05/627532505.db2.gz MDMMIYUJRSTWFD-UHFFFAOYSA-N 1 1 284.403 3.480 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC[C@H](c3ccco3)C2)c(O)c1 ZINC000769390139 627547911 /nfs/dbraw/zinc/54/79/11/627547911.db2.gz QQOWEZGYXQBDLN-AWEZNQCLSA-N 1 1 287.359 3.373 20 10 CGCDMO COC[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000769403867 627549254 /nfs/dbraw/zinc/54/92/54/627549254.db2.gz YASDSQFHYWTFJO-QGZVFWFLSA-N 1 1 288.435 3.145 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)CCC2CC2)c1 ZINC000769416572 627550501 /nfs/dbraw/zinc/55/05/01/627550501.db2.gz CAGXWCOQXZRACH-VXGBXAGGSA-N 1 1 291.391 3.408 20 10 CGCDMO CC1=CC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC000769446786 627553595 /nfs/dbraw/zinc/55/35/95/627553595.db2.gz POZVSWRFHLSRBG-UHFFFAOYSA-N 1 1 282.181 3.307 20 10 CGCDMO CC[N@H+]1CC[C@@H](N(C)Cc2c(O)cccc2Cl)C[C@@H]1C ZINC000769469666 627556727 /nfs/dbraw/zinc/55/67/27/627556727.db2.gz CMKJVZATJWRVEH-QWHCGFSZSA-N 1 1 296.842 3.350 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2cccc(C)n2)c1 ZINC000769481003 627558757 /nfs/dbraw/zinc/55/87/57/627558757.db2.gz QKORJZRLIAOVGN-UHFFFAOYSA-N 1 1 286.375 3.126 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)[C@@H]1C[C@](C)(OC)C1(C)C ZINC000769548620 627564934 /nfs/dbraw/zinc/56/49/34/627564934.db2.gz IZCGTDMFPLHALJ-WBVHZDCISA-N 1 1 293.407 3.036 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)[C@H](C)C2(C)CC2)c(O)c1 ZINC000770288552 627611777 /nfs/dbraw/zinc/61/17/77/627611777.db2.gz MWYHMRRNZNXYBK-GFCCVEGCSA-N 1 1 263.381 3.411 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCCOC[C@@H]2C)cc1C(C)C ZINC000772820510 627826425 /nfs/dbraw/zinc/82/64/25/627826425.db2.gz IHVMHHSDBNDONB-AWEZNQCLSA-N 1 1 277.408 3.435 20 10 CGCDMO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(N(C)CC)cc1 ZINC000773730732 627908493 /nfs/dbraw/zinc/90/84/93/627908493.db2.gz PZJDMDSEUVNKMS-ZBFHGGJFSA-N 1 1 276.424 3.142 20 10 CGCDMO CCOC[C@@H]1CC[N@@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000773753905 627911327 /nfs/dbraw/zinc/91/13/27/627911327.db2.gz IQGLGESMZYDZHF-MRXNPFEDSA-N 1 1 276.424 3.001 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000773758817 627912131 /nfs/dbraw/zinc/91/21/31/627912131.db2.gz UWLQFWUXOIGDBD-SFHVURJKSA-N 1 1 298.434 3.176 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000773766752 627914053 /nfs/dbraw/zinc/91/40/53/627914053.db2.gz VFLSMDYGVCQCTD-WMZOPIPTSA-N 1 1 288.435 3.144 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCS[C@@H](C)CC2)cc1 ZINC000773889662 627924901 /nfs/dbraw/zinc/92/49/01/627924901.db2.gz ZVIMPNVNMOXFKQ-AWEZNQCLSA-N 1 1 278.465 3.470 20 10 CGCDMO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(C)c2O)C[C@H](C)O1 ZINC000775661204 628120952 /nfs/dbraw/zinc/12/09/52/628120952.db2.gz KORPMWPBXGMIHP-SMDDNHRTSA-N 1 1 283.799 3.353 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C)c2O)C[C@H](C)O1 ZINC000775661204 628120956 /nfs/dbraw/zinc/12/09/56/628120956.db2.gz KORPMWPBXGMIHP-SMDDNHRTSA-N 1 1 283.799 3.353 20 10 CGCDMO CCC[C@@H]1C[N@H+](Cc2cc(Cl)cc(C)c2O)CCO1 ZINC000775708866 628128191 /nfs/dbraw/zinc/12/81/91/628128191.db2.gz PFPJUFZYFJACRW-CQSZACIVSA-N 1 1 283.799 3.355 20 10 CGCDMO CCC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C)c2O)CCO1 ZINC000775708866 628128193 /nfs/dbraw/zinc/12/81/93/628128193.db2.gz PFPJUFZYFJACRW-CQSZACIVSA-N 1 1 283.799 3.355 20 10 CGCDMO CCC[C@@H](CC)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000776173742 628176241 /nfs/dbraw/zinc/17/62/41/628176241.db2.gz ILZCXHQJVCXIBA-QGZVFWFLSA-N 1 1 289.467 3.107 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000776775410 628231342 /nfs/dbraw/zinc/23/13/42/628231342.db2.gz ASZMLJSXPUQBDE-QGZVFWFLSA-N 1 1 289.419 3.400 20 10 CGCDMO C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1ccccc1O ZINC000779000558 628382738 /nfs/dbraw/zinc/38/27/38/628382738.db2.gz ZEUWWRIQVNJUJN-CYBMUJFWSA-N 1 1 269.344 3.348 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H]1CCO[C@@H](C)C1 ZINC000779002058 628382795 /nfs/dbraw/zinc/38/27/95/628382795.db2.gz JQILVDSTYLZBBT-LSDHHAIUSA-N 1 1 277.408 3.419 20 10 CGCDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)ccc2O)C12CCC2 ZINC000779034845 628384703 /nfs/dbraw/zinc/38/47/03/628384703.db2.gz VGJFSVYNZDEQIS-HOTGVXAUSA-N 1 1 293.382 3.311 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)c1O ZINC000779153001 628390560 /nfs/dbraw/zinc/39/05/60/628390560.db2.gz IZRGBYPDZUBUQH-SWLSCSKDSA-N 1 1 297.826 3.337 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](C)C2)c1 ZINC000781903360 628604130 /nfs/dbraw/zinc/60/41/30/628604130.db2.gz ZUMIRABOYSZDLY-SECBINFHSA-N 1 1 284.197 3.305 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](C)C2)c1 ZINC000781903360 628604133 /nfs/dbraw/zinc/60/41/33/628604133.db2.gz ZUMIRABOYSZDLY-SECBINFHSA-N 1 1 284.197 3.305 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000805746833 628719086 /nfs/dbraw/zinc/71/90/86/628719086.db2.gz KQSGKXGXFUZMQM-SFHVURJKSA-N 1 1 281.403 3.485 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](C(C)(C)C)C2)cc1OC ZINC000784033293 628770100 /nfs/dbraw/zinc/77/01/00/628770100.db2.gz DWRBPLIRSHCKRM-CYBMUJFWSA-N 1 1 293.407 3.277 20 10 CGCDMO COCCCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788526659 629062792 /nfs/dbraw/zinc/06/27/92/629062792.db2.gz KHRMPLGCWUWNTG-JTQLQIEISA-N 1 1 291.313 3.488 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000789518389 629141291 /nfs/dbraw/zinc/14/12/91/629141291.db2.gz YPURXXPSVDKGPX-CVEARBPZSA-N 1 1 275.392 3.152 20 10 CGCDMO CC(C)(C)[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)CCO1 ZINC000790411511 629209409 /nfs/dbraw/zinc/20/94/09/629209409.db2.gz FKVMIUOMYYZQEO-QGZVFWFLSA-N 1 1 289.419 3.128 20 10 CGCDMO Oc1ccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)cc1 ZINC000790955583 629242537 /nfs/dbraw/zinc/24/25/37/629242537.db2.gz UNWOIQGBBQKTDO-UHFFFAOYSA-N 1 1 281.714 3.180 20 10 CGCDMO CC1(C)C[C@@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790959201 629243497 /nfs/dbraw/zinc/24/34/97/629243497.db2.gz XBSDYPHEVVTHKC-MRVPVSSYSA-N 1 1 257.736 3.320 20 10 CGCDMO CCCC[C@H](COC)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790968094 629244473 /nfs/dbraw/zinc/24/44/73/629244473.db2.gz KDZPIIQIDZRTOS-SNVBAGLBSA-N 1 1 289.778 3.480 20 10 CGCDMO C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@@H]1CCCOC1 ZINC000790988781 629246976 /nfs/dbraw/zinc/24/69/76/629246976.db2.gz AQPNSQCJKMTZCI-VHSXEESVSA-N 1 1 287.762 3.089 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)Cc2ccn(CC)c2)c1O ZINC000792183548 629345785 /nfs/dbraw/zinc/34/57/85/629345785.db2.gz PNVFFOMSNGILCF-UHFFFAOYSA-N 1 1 288.391 3.244 20 10 CGCDMO Cc1cc(Cl)cc(Cn2c[nH+]c3c2CCCC3)c1O ZINC000862431972 629371492 /nfs/dbraw/zinc/37/14/92/629371492.db2.gz YEEBKAIGNLORFX-UHFFFAOYSA-N 1 1 276.767 3.478 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccccc1)OCO2 ZINC000014307557 629441098 /nfs/dbraw/zinc/44/10/98/629441098.db2.gz XRRBJUCSYBXSJD-OAHLLOKOSA-N 1 1 297.354 3.458 20 10 CGCDMO COc1cccc(C[N@@H+](CC2CC2)C2CCC2)c1O ZINC000793393187 629453917 /nfs/dbraw/zinc/45/39/17/629453917.db2.gz FEENKQRQOUYUNZ-UHFFFAOYSA-N 1 1 261.365 3.165 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(Cl)c1[O-] ZINC000863544809 629604152 /nfs/dbraw/zinc/60/41/52/629604152.db2.gz BQRJYRHBCVYKNF-SUNKGSAMSA-N 1 1 282.815 3.227 20 10 CGCDMO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000864054544 629749098 /nfs/dbraw/zinc/74/90/98/629749098.db2.gz URRKRUCOJSNPLX-WCQYABFASA-N 1 1 298.377 3.030 20 10 CGCDMO CC[C@@H](C[NH2+][C@@H](CC)c1ccc(F)cc1O)N1CCCC1 ZINC000796695191 629815845 /nfs/dbraw/zinc/81/58/45/629815845.db2.gz MPUAFVZLXAUGEM-HOCLYGCPSA-N 1 1 294.414 3.446 20 10 CGCDMO CC[C@@H]([NH2+]CCN1CCCC[C@H]1C)c1ccc(F)cc1O ZINC000796696085 629815933 /nfs/dbraw/zinc/81/59/33/629815933.db2.gz RXKZHPIVPRFXDB-CZUORRHYSA-N 1 1 294.414 3.446 20 10 CGCDMO CC[C@@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1ccc(F)cc1O ZINC000796762375 629828703 /nfs/dbraw/zinc/82/87/03/629828703.db2.gz OXHGFWDODFFVKD-GDBMZVCRSA-N 1 1 292.398 3.056 20 10 CGCDMO CC[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(F)cc1O ZINC000796777412 629832053 /nfs/dbraw/zinc/83/20/53/629832053.db2.gz GCXVNZTUXVXQHU-CYBMUJFWSA-N 1 1 297.370 3.304 20 10 CGCDMO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000796782111 629832855 /nfs/dbraw/zinc/83/28/55/629832855.db2.gz OYHLNSAGEWTNMR-KYOSRNDESA-N 1 1 283.387 3.369 20 10 CGCDMO CC[C@@H]([NH2+]CCCOC(F)F)c1ccc(F)cc1O ZINC000796988064 629869223 /nfs/dbraw/zinc/86/92/23/629869223.db2.gz AXPBJRJERCQNIS-LLVKDONJSA-N 1 1 277.286 3.201 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)Cc2ccc(Cl)nc2)c1 ZINC000125756081 634783651 /nfs/dbraw/zinc/78/36/51/634783651.db2.gz VCHDTWURBKSYQO-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)c1 ZINC000799148080 630150252 /nfs/dbraw/zinc/15/02/52/630150252.db2.gz KQNUMFIEBCYCSN-QGZVFWFLSA-N 1 1 299.418 3.470 20 10 CGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](CC)C(=O)OCC ZINC000801598549 630346483 /nfs/dbraw/zinc/34/64/83/630346483.db2.gz CAJBCBCYASGHGT-HNNXBMFYSA-N 1 1 293.407 3.336 20 10 CGCDMO COc1ccc2c(c1)OCC[N@H+](Cc1cccc(C)c1O)C2 ZINC000802659130 630403961 /nfs/dbraw/zinc/40/39/61/630403961.db2.gz GKVXGJUGHYIFSD-UHFFFAOYSA-N 1 1 299.370 3.104 20 10 CGCDMO COC[C@H]1CC[N@H+]1Cc1cc(C(C)C)c(C)cc1O ZINC000840083997 630583752 /nfs/dbraw/zinc/58/37/52/630583752.db2.gz SQCPKPBJCCSCFC-CQSZACIVSA-N 1 1 263.381 3.045 20 10 CGCDMO CCc1nocc1C[N@@H+](C)Cc1cc(C)cc(C)c1O ZINC000840087930 630587349 /nfs/dbraw/zinc/58/73/49/630587349.db2.gz FCLPERTXSKUYAX-UHFFFAOYSA-N 1 1 274.364 3.191 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1C[C@@]3(CCCO3)[C@@H]1C1CC1)CCC2 ZINC000840094694 630591064 /nfs/dbraw/zinc/59/10/64/630591064.db2.gz MOXCTPACBLZVAD-OALUTQOASA-N 1 1 299.414 3.024 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCCSC1 ZINC000808430529 630644134 /nfs/dbraw/zinc/64/41/34/630644134.db2.gz QSZRWTPVKJKCQR-SECBINFHSA-N 1 1 289.803 3.418 20 10 CGCDMO CN(C)c1ccc(C[NH2+]C2(C(F)F)CCCC2)cc1 ZINC000808452137 630646232 /nfs/dbraw/zinc/64/62/32/630646232.db2.gz ZHLMALXGDCWRAE-UHFFFAOYSA-N 1 1 268.351 3.420 20 10 CGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cocn2)c1O ZINC000808711269 630669249 /nfs/dbraw/zinc/66/92/49/630669249.db2.gz ZPZFDERMLMOOEO-SECBINFHSA-N 1 1 266.728 3.193 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1C ZINC000811510873 631079481 /nfs/dbraw/zinc/07/94/81/631079481.db2.gz QNJDXXKQTWQASK-DLBZAZTESA-N 1 1 289.419 3.398 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1ccc(F)cc1O ZINC000812738603 631300223 /nfs/dbraw/zinc/30/02/23/631300223.db2.gz XKKBEHSWVSYDRY-LLVKDONJSA-N 1 1 299.349 3.269 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C(C)(C)COC)cc1 ZINC000814178636 631540293 /nfs/dbraw/zinc/54/02/93/631540293.db2.gz XVDIDWCGHHAPSI-UHFFFAOYSA-N 1 1 278.440 3.390 20 10 CGCDMO Cc1cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)ccc1N(C)C ZINC000815099584 631716082 /nfs/dbraw/zinc/71/60/82/631716082.db2.gz LBJCEAVJMSODIK-SOUVJXGZSA-N 1 1 276.424 3.059 20 10 CGCDMO Cc1cc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)ccc1N(C)C ZINC000815102375 631717392 /nfs/dbraw/zinc/71/73/92/631717392.db2.gz OCIZONGMUKVEKS-AWEZNQCLSA-N 1 1 276.424 3.060 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000815112842 631719004 /nfs/dbraw/zinc/71/90/04/631719004.db2.gz DYAIQUXZRUIJLF-SFHVURJKSA-N 1 1 288.435 3.145 20 10 CGCDMO CO[C@H](C)CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815573803 631798397 /nfs/dbraw/zinc/79/83/97/631798397.db2.gz UNYDXJXWNPNVLT-ZJUUUORDSA-N 1 1 291.313 3.487 20 10 CGCDMO CC1(C)C[C@@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816549113 632008293 /nfs/dbraw/zinc/00/82/93/632008293.db2.gz FAORPXVLBWHWQJ-SECBINFHSA-N 1 1 257.736 3.320 20 10 CGCDMO CO[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816566756 632014913 /nfs/dbraw/zinc/01/49/13/632014913.db2.gz FMTBIIFBANIETA-NSHDSACASA-N 1 1 287.762 3.186 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816566756 632014916 /nfs/dbraw/zinc/01/49/16/632014916.db2.gz FMTBIIFBANIETA-NSHDSACASA-N 1 1 287.762 3.186 20 10 CGCDMO CCc1nnc(C[NH2+]Cc2ccc3ccccc3c2O)s1 ZINC000816616397 632024301 /nfs/dbraw/zinc/02/43/01/632024301.db2.gz VTTDINPGCFCNIL-UHFFFAOYSA-N 1 1 299.399 3.249 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)C1CC(OC(C)(C)C)C1 ZINC000817416281 632146954 /nfs/dbraw/zinc/14/69/54/632146954.db2.gz YAGMUYKFBKKLSR-UHFFFAOYSA-N 1 1 293.407 3.179 20 10 CGCDMO CC[C@H]([NH2+]CCC[NH2+]C)c1ccc(C(F)(F)F)cc1[O-] ZINC000817940061 632240618 /nfs/dbraw/zinc/24/06/18/632240618.db2.gz KVPCBURHTYUHSQ-LBPRGKRZSA-N 1 1 290.329 3.061 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)NCCC[NH2+]C(C)C)cc1 ZINC000817954568 632248794 /nfs/dbraw/zinc/24/87/94/632248794.db2.gz YXCXDIVOYNUHQO-OAHLLOKOSA-N 1 1 277.456 3.181 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1cc(Cl)ccc1[O-] ZINC000817960397 632256777 /nfs/dbraw/zinc/25/67/77/632256777.db2.gz MUCVREBNBRJFPP-WDMOLILDSA-N 1 1 282.815 3.214 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1[O-] ZINC000817962001 632257475 /nfs/dbraw/zinc/25/74/75/632257475.db2.gz GFLLTRNUVQMYHV-BXKDBHETSA-N 1 1 290.329 3.047 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817965848 632259936 /nfs/dbraw/zinc/25/99/36/632259936.db2.gz DDGBMLSRWINZSH-GMSGAONNSA-N 1 1 277.195 3.087 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c1[O-] ZINC000817968208 632261082 /nfs/dbraw/zinc/26/10/82/632261082.db2.gz HKBWCYCPARRTRK-WCQYABFASA-N 1 1 282.815 3.147 20 10 CGCDMO C[C@H](CN)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817966649 632261174 /nfs/dbraw/zinc/26/11/74/632261174.db2.gz SJRGTCDUKDGFBR-CABCVRRESA-N 1 1 275.440 3.065 20 10 CGCDMO CCc1cc(N[C@@H](C)c2ccccc2O)nc(C)[nH+]1 ZINC000866239627 633040091 /nfs/dbraw/zinc/04/00/91/633040091.db2.gz WFROVYYQSHANCP-JTQLQIEISA-N 1 1 257.337 3.226 20 10 CGCDMO CC[C@H]([NH2+][C@H]1C[C@H](SC)C1)c1ccc(F)cc1O ZINC000866488269 633157341 /nfs/dbraw/zinc/15/73/41/633157341.db2.gz LXDODKSKHKAJRG-GVXVVHGQSA-N 1 1 269.385 3.466 20 10 CGCDMO Cc1ccccc1OCC[N@H+](C)Cc1ccccc1O ZINC000121148689 633211666 /nfs/dbraw/zinc/21/16/66/633211666.db2.gz VMUUGQYEACVAHA-UHFFFAOYSA-N 1 1 271.360 3.211 20 10 CGCDMO CS[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000824683789 633272969 /nfs/dbraw/zinc/27/29/69/633272969.db2.gz WJVHXDYAPJLVQJ-MRVPVSSYSA-N 1 1 275.776 3.122 20 10 CGCDMO CS[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000824683789 633272971 /nfs/dbraw/zinc/27/29/71/633272971.db2.gz WJVHXDYAPJLVQJ-MRVPVSSYSA-N 1 1 275.776 3.122 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000824696973 633273960 /nfs/dbraw/zinc/27/39/60/633273960.db2.gz WKDPZERVEBFOEC-NUJGCVRESA-N 1 1 289.419 3.216 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1 ZINC000824702519 633276281 /nfs/dbraw/zinc/27/62/81/633276281.db2.gz MVUVHRHJRICGRZ-XJOINEQPSA-N 1 1 285.387 3.045 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC000824942428 633309206 /nfs/dbraw/zinc/30/92/06/633309206.db2.gz ZUKZZVCTXNSUHH-MSOLQXFVSA-N 1 1 270.420 3.373 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@@]3(CCSC3)C2)c1O ZINC000825215096 633335836 /nfs/dbraw/zinc/33/58/36/633335836.db2.gz GQUJRISBWWYSCO-MRXNPFEDSA-N 1 1 293.432 3.120 20 10 CGCDMO CC(C)(O)C(C)(C)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000825202308 633335904 /nfs/dbraw/zinc/33/59/04/633335904.db2.gz QQGLBNUJGIVNFP-UHFFFAOYSA-N 1 1 289.778 3.071 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C(C)C)[C@H]2CCOC2)cc1Cl ZINC000825954937 633391596 /nfs/dbraw/zinc/39/15/96/633391596.db2.gz CWKQBCFJDBUAQE-ZDUSSCGKSA-N 1 1 283.799 3.353 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+](C)CC2=CCCOC2)c1O ZINC000827190256 633469198 /nfs/dbraw/zinc/46/91/98/633469198.db2.gz TXBAMNBWYLYXBU-UHFFFAOYSA-N 1 1 281.783 3.133 20 10 CGCDMO COc1ccc2c(c1)CC[N@H+](Cc1cc(F)ccc1O)C2 ZINC000827300276 633480154 /nfs/dbraw/zinc/48/01/54/633480154.db2.gz UDZIBHDMDLCCOV-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CC1=CCCC1 ZINC000827545261 633497485 /nfs/dbraw/zinc/49/74/85/633497485.db2.gz YHQYJPDKPBVLGC-UHFFFAOYSA-N 1 1 255.720 3.385 20 10 CGCDMO Cc1cccc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c1O ZINC000827538576 633497663 /nfs/dbraw/zinc/49/76/63/633497663.db2.gz QKDACPHPGLFQJU-UHFFFAOYSA-N 1 1 287.403 3.092 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)CC2=CCSC2)cc1 ZINC000827812340 633520607 /nfs/dbraw/zinc/52/06/07/633520607.db2.gz JUNCBXQESZXDJO-PLNGDYQASA-N 1 1 288.460 3.371 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2Cc3cnn(C)c3CC(C)(C)C2)c1 ZINC000828018167 633549244 /nfs/dbraw/zinc/54/92/44/633549244.db2.gz HCLYHQOPHKCNTJ-UHFFFAOYSA-N 1 1 299.418 3.019 20 10 CGCDMO CCc1[nH+]ccn1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000829384254 633730455 /nfs/dbraw/zinc/73/04/55/633730455.db2.gz CIGOMQGJEYRATO-UHFFFAOYSA-N 1 1 299.418 3.109 20 10 CGCDMO CC[C@H](CO)[N@@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000830352000 633855550 /nfs/dbraw/zinc/85/55/50/633855550.db2.gz GFMBTGGCOOCSOJ-QGZVFWFLSA-N 1 1 290.451 3.188 20 10 CGCDMO C[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccc(Cl)cc1O ZINC000872114475 634038807 /nfs/dbraw/zinc/03/88/07/634038807.db2.gz WPWXUYQALHGESY-GHMZBOCLSA-N 1 1 297.782 3.040 20 10 CGCDMO Cc1nonc1C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000872138035 634061038 /nfs/dbraw/zinc/06/10/38/634061038.db2.gz YYSCXCMBIQNPPP-JTQLQIEISA-N 1 1 283.331 3.088 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)c1 ZINC000872723348 634196374 /nfs/dbraw/zinc/19/63/74/634196374.db2.gz XQNIPBNWRKJQGE-HIFRSBDPSA-N 1 1 277.433 3.194 20 10 CGCDMO CC[C@@H]([NH2+]CCC[C@H]1CCOC1)c1ccc(F)cc1O ZINC000834905104 634281088 /nfs/dbraw/zinc/28/10/88/634281088.db2.gz QVSMKBZCDKPCKG-SWLSCSKDSA-N 1 1 281.371 3.389 20 10 CGCDMO COC[C@H]1CCC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835028918 634325508 /nfs/dbraw/zinc/32/55/08/634325508.db2.gz NGSSRDOUHRVJOD-YXMMZVCTSA-N 1 1 288.435 3.124 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000835029688 634326049 /nfs/dbraw/zinc/32/60/49/634326049.db2.gz YUGKYUSQLJCBLW-YXMMZVCTSA-N 1 1 288.435 3.124 20 10 CGCDMO CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000835029649 634326259 /nfs/dbraw/zinc/32/62/59/634326259.db2.gz YLPRQWNCHOBMKZ-LZCIBIBXSA-N 1 1 288.435 3.267 20 10 CGCDMO CC[N@H+](CCNC/C=C/c1ccc(N(C)C)cc1)C(C)C ZINC000835035250 634327634 /nfs/dbraw/zinc/32/76/34/634327634.db2.gz FCLKWSORHNFRAK-BQYQJAHWSA-N 1 1 289.467 3.086 20 10 CGCDMO CC[N@@H+](CCNC/C=C/c1ccc(N(C)C)cc1)C(C)C ZINC000835035250 634327635 /nfs/dbraw/zinc/32/76/35/634327635.db2.gz FCLKWSORHNFRAK-BQYQJAHWSA-N 1 1 289.467 3.086 20 10 CGCDMO CN(C)c1ccc(C=CC[NH2+][C@@H]2CCCc3c[nH]nc32)cc1 ZINC000835043103 634330393 /nfs/dbraw/zinc/33/03/93/634330393.db2.gz MVCBOZQIUOLJPF-LAQIPUCWSA-N 1 1 296.418 3.156 20 10 CGCDMO COCC1=CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835044447 634331200 /nfs/dbraw/zinc/33/12/00/634331200.db2.gz CWOMOFLRBNDUMQ-PLNGDYQASA-N 1 1 286.419 3.044 20 10 CGCDMO CO[C@]1(C)CCC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835054518 634338169 /nfs/dbraw/zinc/33/81/69/634338169.db2.gz QRQMNCCZRHVFLF-LZCIBIBXSA-N 1 1 288.435 3.267 20 10 CGCDMO CC[N@@H+](Cc1c(C)noc1C)Cc1ccc(N(C)C)cc1 ZINC000102675963 634836598 /nfs/dbraw/zinc/83/65/98/634836598.db2.gz GEHOUNHLMFNRQF-UHFFFAOYSA-N 1 1 287.407 3.380 20 10 CGCDMO Cc1nc([C@H]2CCCC[N@@H+]2Cc2c(C)cccc2O)no1 ZINC000876627960 634871090 /nfs/dbraw/zinc/87/10/90/634871090.db2.gz MBSHDCCZHCLPCU-CQSZACIVSA-N 1 1 287.363 3.119 20 10 CGCDMO Cc1nc([C@H]2CCCC[N@H+]2Cc2c(C)cccc2O)no1 ZINC000876627960 634871091 /nfs/dbraw/zinc/87/10/91/634871091.db2.gz MBSHDCCZHCLPCU-CQSZACIVSA-N 1 1 287.363 3.119 20 10 CGCDMO Cc1ccc(C[N@H+]2CCO[C@H](c3cccs3)C2)c(O)c1 ZINC000876645009 634874457 /nfs/dbraw/zinc/87/44/57/634874457.db2.gz HIGJHHYDMJPQQD-HNNXBMFYSA-N 1 1 289.400 3.336 20 10 CGCDMO Cc1ccc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)c(O)c1 ZINC000876657509 634876707 /nfs/dbraw/zinc/87/67/07/634876707.db2.gz GEQCWSRWNKWADW-AWEZNQCLSA-N 1 1 271.364 3.151 20 10 CGCDMO Cc1cccc(O)c1C[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000876724343 634886586 /nfs/dbraw/zinc/88/65/86/634886586.db2.gz UMFSIFALKDPOBT-CQSZACIVSA-N 1 1 285.387 3.469 20 10 CGCDMO Cc1cccc(O)c1CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000876763870 634895773 /nfs/dbraw/zinc/89/57/73/634895773.db2.gz MGTVAGOZAGLAOE-CVEARBPZSA-N 1 1 288.435 3.148 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(C)C ZINC000876763870 634895777 /nfs/dbraw/zinc/89/57/77/634895777.db2.gz MGTVAGOZAGLAOE-CVEARBPZSA-N 1 1 288.435 3.148 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(C)C ZINC000876763870 634895780 /nfs/dbraw/zinc/89/57/80/634895780.db2.gz MGTVAGOZAGLAOE-CVEARBPZSA-N 1 1 288.435 3.148 20 10 CGCDMO Cc1ccc(C[N@H+](C)[C@@H](C)c2cccnc2)c(O)c1 ZINC000877317136 635024799 /nfs/dbraw/zinc/02/47/99/635024799.db2.gz HEQQSBAOZYJVCD-ZDUSSCGKSA-N 1 1 256.349 3.289 20 10 CGCDMO C[C@H]([NH2+]CC(C)(C)OCC1CC1)c1ccc(F)cc1O ZINC000840876856 635071309 /nfs/dbraw/zinc/07/13/09/635071309.db2.gz PMXDOLVCIYUHOD-NSHDSACASA-N 1 1 281.371 3.387 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000840910493 635080017 /nfs/dbraw/zinc/08/00/17/635080017.db2.gz HUEPUGHPZZNUSR-INIZCTEOSA-N 1 1 298.434 3.164 20 10 CGCDMO Cc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(O)c1 ZINC000877542111 635080847 /nfs/dbraw/zinc/08/08/47/635080847.db2.gz VNQMPRNUSODUEE-IRXDYDNUSA-N 1 1 287.403 3.234 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1ccoc1 ZINC000840911657 635081900 /nfs/dbraw/zinc/08/19/00/635081900.db2.gz LRLIGYGNPRHMHB-UHFFFAOYSA-N 1 1 258.365 3.286 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)CCc2nccs2)c(Cl)c1 ZINC000840919196 635082690 /nfs/dbraw/zinc/08/26/90/635082690.db2.gz XNADGQJBXUQZDC-UHFFFAOYSA-N 1 1 296.823 3.485 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000877553477 635086416 /nfs/dbraw/zinc/08/64/16/635086416.db2.gz SYXACJOAFGQHNS-QGZVFWFLSA-N 1 1 287.403 3.092 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000840954029 635092462 /nfs/dbraw/zinc/09/24/62/635092462.db2.gz FPQRNMGGTCYALM-GOSISDBHSA-N 1 1 288.435 3.062 20 10 CGCDMO Cc1cccc(C)c1CNC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841044939 635113162 /nfs/dbraw/zinc/11/31/62/635113162.db2.gz GIIOSLZPINKVCP-IBGZPJMESA-N 1 1 297.446 3.159 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000877615242 635113343 /nfs/dbraw/zinc/11/33/43/635113343.db2.gz SKJHXRITVKFCNZ-AWEZNQCLSA-N 1 1 267.319 3.322 20 10 CGCDMO CCN(CC)c1ccc(CNC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000841058641 635116851 /nfs/dbraw/zinc/11/68/51/635116851.db2.gz ZSIYSCJYCJEQJP-SFHVURJKSA-N 1 1 289.467 3.012 20 10 CGCDMO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](C)CN)cc1 ZINC000841066808 635116948 /nfs/dbraw/zinc/11/69/48/635116948.db2.gz OLZFZWQECDGEOE-INIZCTEOSA-N 1 1 297.446 3.150 20 10 CGCDMO CC(C)(O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000877796305 635206473 /nfs/dbraw/zinc/20/64/73/635206473.db2.gz CHQJDUPSMGQVPY-LBPRGKRZSA-N 1 1 283.799 3.029 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000877811942 635215551 /nfs/dbraw/zinc/21/55/51/635215551.db2.gz CSFULWRWIMXERW-CYBMUJFWSA-N 1 1 289.297 3.175 20 10 CGCDMO Cc1csc([C@@H]2CC[N@@H+](Cc3cc(F)ccc3O)C2)n1 ZINC000877814129 635220092 /nfs/dbraw/zinc/22/00/92/635220092.db2.gz UEZKPVCYOOCRET-LLVKDONJSA-N 1 1 292.379 3.286 20 10 CGCDMO Cc1csc([C@H]2CC[N@@H+](Cc3c(C)cccc3O)C2)n1 ZINC000877813915 635220504 /nfs/dbraw/zinc/22/05/04/635220504.db2.gz LSDGKLOMABKRRI-ZDUSSCGKSA-N 1 1 288.416 3.455 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCCOC1)c1ccc(Cl)cc1O ZINC000841744777 635223011 /nfs/dbraw/zinc/22/30/11/635223011.db2.gz LAQDAKJSDGCKEU-WDEREUQCSA-N 1 1 269.772 3.123 20 10 CGCDMO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841754867 635228685 /nfs/dbraw/zinc/22/86/85/635228685.db2.gz MWOWFAPDOWAZPS-NQBHXWOUSA-N 1 1 285.815 3.493 20 10 CGCDMO CO[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)CC(C)C ZINC000841888527 635246910 /nfs/dbraw/zinc/24/69/10/635246910.db2.gz KTYVDNXOBZPGBN-NSHDSACASA-N 1 1 289.778 3.335 20 10 CGCDMO Cc1cccc(C[N@H+]2CCSC[C@H]2C2CCC2)c1O ZINC000841893485 635249086 /nfs/dbraw/zinc/24/90/86/635249086.db2.gz KSVFMPKEMMIMMY-HNNXBMFYSA-N 1 1 277.433 3.418 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cc[nH]c(=O)c2)cc1 ZINC000877922976 635272214 /nfs/dbraw/zinc/27/22/14/635272214.db2.gz YKQHSRSJLXOWJY-UHFFFAOYSA-N 1 1 299.418 3.265 20 10 CGCDMO CCCCC[N@@H+](CCO)Cc1cc(Cl)ccc1O ZINC000126879186 635334646 /nfs/dbraw/zinc/33/46/46/635334646.db2.gz UMCASVRMLAJIQH-UHFFFAOYSA-N 1 1 271.788 3.030 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000843045231 635549272 /nfs/dbraw/zinc/54/92/72/635549272.db2.gz QEMNIFQEERHYQP-SWLSCSKDSA-N 1 1 294.826 3.010 20 10 CGCDMO CC(C)[C@@H]([NH3+])CCN(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000843056503 635552926 /nfs/dbraw/zinc/55/29/26/635552926.db2.gz OCAKMIYMKQGOHG-MJRGOJFPSA-N 1 1 289.467 3.071 20 10 CGCDMO C[C@@H]([NH2+]Cc1ncc(C2CC2)o1)c1ccccc1O ZINC000879649373 635826725 /nfs/dbraw/zinc/82/67/25/635826725.db2.gz PBLJJRRHCBXFHK-SNVBAGLBSA-N 1 1 258.321 3.108 20 10 CGCDMO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccccc2O)s1 ZINC000879649797 635826728 /nfs/dbraw/zinc/82/67/28/635826728.db2.gz HILMWOXWYFAGRN-JTQLQIEISA-N 1 1 277.393 3.218 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CNc2ccccc2C1)c1ccc(F)cc1O ZINC000844921806 635984102 /nfs/dbraw/zinc/98/41/02/635984102.db2.gz UZIWUFORLOJYEN-RISCZKNCSA-N 1 1 286.350 3.219 20 10 CGCDMO C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000844922563 635985118 /nfs/dbraw/zinc/98/51/18/635985118.db2.gz ASCKLBRLAYPBCS-NSHDSACASA-N 1 1 282.815 3.086 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)OCC23CCC3)cc1C ZINC000846067874 636141484 /nfs/dbraw/zinc/14/14/84/636141484.db2.gz ZPFXGKZFVOWEOX-CQSZACIVSA-N 1 1 275.392 3.152 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846117412 636146583 /nfs/dbraw/zinc/14/65/83/636146583.db2.gz PTAYPAMYLARNIY-LBPRGKRZSA-N 1 1 291.700 3.416 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846117412 636146585 /nfs/dbraw/zinc/14/65/85/636146585.db2.gz PTAYPAMYLARNIY-LBPRGKRZSA-N 1 1 291.700 3.416 20 10 CGCDMO COc1cccc([C@H](C)NCC[NH+](C(C)C)C(C)C)c1O ZINC000846138156 636148905 /nfs/dbraw/zinc/14/89/05/636148905.db2.gz UAKUZEGXOIYPIC-AWEZNQCLSA-N 1 1 294.439 3.170 20 10 CGCDMO C[C@H]([NH2+]CC1(CO)CCCCC1)c1ccc(F)cc1O ZINC000130838125 636519009 /nfs/dbraw/zinc/51/90/09/636519009.db2.gz JHFPXTXPKGTWMN-LBPRGKRZSA-N 1 1 281.371 3.125 20 10 CGCDMO CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2O)C1 ZINC000883273217 636644031 /nfs/dbraw/zinc/64/40/31/636644031.db2.gz GJPJMWJWDIWENQ-NHCYSSNCSA-N 1 1 269.772 3.121 20 10 CGCDMO CCc1cccc(C[N@@H+](C)Cc2cnc(C)s2)c1O ZINC000848882374 636671742 /nfs/dbraw/zinc/67/17/42/636671742.db2.gz NQPRIVSZPQPOAM-UHFFFAOYSA-N 1 1 276.405 3.352 20 10 CGCDMO CCc1cccc(C[N@H+]2CCc3ccc(O)cc3C2)c1O ZINC000848882175 636672499 /nfs/dbraw/zinc/67/24/99/636672499.db2.gz MKDRILPBBCBYGR-UHFFFAOYSA-N 1 1 283.371 3.219 20 10 CGCDMO CCC[N@H+](C)CC(C)(C)NCc1cc(C)c(C)cc1O ZINC000850409575 637053131 /nfs/dbraw/zinc/05/31/31/637053131.db2.gz BOILCMUGNHDXEI-UHFFFAOYSA-N 1 1 278.440 3.219 20 10 CGCDMO CCC[N@@H+](C)CC(C)(C)NCc1cc(C)c(C)cc1O ZINC000850409575 637053134 /nfs/dbraw/zinc/05/31/34/637053134.db2.gz BOILCMUGNHDXEI-UHFFFAOYSA-N 1 1 278.440 3.219 20 10 CGCDMO CC[C@H]([NH2+]Cc1ncccn1)c1cc(Cl)ccc1O ZINC000850553057 637119426 /nfs/dbraw/zinc/11/94/26/637119426.db2.gz SQSUIDUEYBEJQM-LBPRGKRZSA-N 1 1 277.755 3.077 20 10 CGCDMO CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000850571097 637128740 /nfs/dbraw/zinc/12/87/40/637128740.db2.gz MNXTWXRNGYHQDY-DYLAAIIWSA-N 1 1 289.297 3.239 20 10 CGCDMO CCOc1ccc(N(C)CCCn2cc[nH+]c2C)cc1 ZINC000136395650 637319790 /nfs/dbraw/zinc/31/97/90/637319790.db2.gz UUMRGVINWBNTBZ-UHFFFAOYSA-N 1 1 273.380 3.117 20 10 CGCDMO Oc1ccccc1C[N@@H+](CCCF)Cc1ccco1 ZINC000137265514 637438865 /nfs/dbraw/zinc/43/88/65/637438865.db2.gz LLPYUPRMYJSXRR-UHFFFAOYSA-N 1 1 263.312 3.347 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](Cc2cccc(F)n2)C2CC2)cc1 ZINC000851732612 637482355 /nfs/dbraw/zinc/48/23/55/637482355.db2.gz VEFIGBKQJBFZTH-UHFFFAOYSA-N 1 1 299.393 3.451 20 10 CGCDMO Oc1ccccc1C[N@@H+](CCOC(F)F)Cc1ccco1 ZINC000851840174 637518575 /nfs/dbraw/zinc/51/85/75/637518575.db2.gz BBTNVKGBOKSPBM-UHFFFAOYSA-N 1 1 297.301 3.227 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1cccnc1 ZINC000886491478 637539968 /nfs/dbraw/zinc/53/99/68/637539968.db2.gz FWWOBQWZAVWRSR-MNOVXSKESA-N 1 1 260.312 3.338 20 10 CGCDMO CSC(C)(C)C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886535044 637560575 /nfs/dbraw/zinc/56/05/75/637560575.db2.gz TYZZWQVTGPWIEJ-VIFPVBQESA-N 1 1 257.374 3.324 20 10 CGCDMO Cc1ncc(CC[NH2+][C@@H](C)c2c(O)cccc2F)s1 ZINC000886553863 637578031 /nfs/dbraw/zinc/57/80/31/637578031.db2.gz WWIBERXHJMRBEF-VIFPVBQESA-N 1 1 280.368 3.190 20 10 CGCDMO C[C@H]([NH2+]CC[C@H]1CCCCO1)c1c(O)cccc1F ZINC000886587582 637594167 /nfs/dbraw/zinc/59/41/67/637594167.db2.gz BGILCXFVTHGFEY-NWDGAFQWSA-N 1 1 267.344 3.141 20 10 CGCDMO COCCC(C)(C)C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886590010 637595485 /nfs/dbraw/zinc/59/54/85/637595485.db2.gz LORYAKDAGNGEDX-LLVKDONJSA-N 1 1 269.360 3.245 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1c(O)cccc1F ZINC000886623428 637614083 /nfs/dbraw/zinc/61/40/83/637614083.db2.gz DCMSTRBBRXRESH-VXGBXAGGSA-N 1 1 281.371 3.387 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1c(O)cccc1F ZINC000886624816 637614415 /nfs/dbraw/zinc/61/44/15/637614415.db2.gz AONPFYBEEKJCPP-UTLUCORTSA-N 1 1 255.358 3.076 20 10 CGCDMO CCN(C)c1ccc(C[NH2+][C@@H](C)c2cscn2)cc1 ZINC000852416145 637649195 /nfs/dbraw/zinc/64/91/95/637649195.db2.gz DPXGVWOVZAYORX-LBPRGKRZSA-N 1 1 275.421 3.450 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](C)CC2)c1O ZINC000110806764 637703499 /nfs/dbraw/zinc/70/34/99/637703499.db2.gz VVSNNLHECGCTCD-NSHDSACASA-N 1 1 279.355 3.356 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](C)CC2)c1O ZINC000110806764 637703501 /nfs/dbraw/zinc/70/35/01/637703501.db2.gz VVSNNLHECGCTCD-NSHDSACASA-N 1 1 279.355 3.356 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)C[NH2+]C)c1ccc(Cl)c(Cl)c1[O-] ZINC000854233107 638029767 /nfs/dbraw/zinc/02/97/67/638029767.db2.gz XQMZIOBCQVSBSJ-KWQFWETISA-N 1 1 291.222 3.348 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)cc1[O-] ZINC000858491660 638742340 /nfs/dbraw/zinc/74/23/40/638742340.db2.gz MTIKUDJLTKDUFD-OLZOCXBDSA-N 1 1 296.842 3.428 20 10 CGCDMO Cc1cnc(C[NH2+][C@@H](C)c2c(O)cccc2F)c(C)c1 ZINC000926954808 638828879 /nfs/dbraw/zinc/82/88/79/638828879.db2.gz VXZUIXFBHMAVQX-LBPRGKRZSA-N 1 1 274.339 3.394 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000859545933 639160408 /nfs/dbraw/zinc/16/04/08/639160408.db2.gz ZMEWVVXMANPJJH-CVEARBPZSA-N 1 1 276.449 3.223 20 10 CGCDMO CCO[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000155473596 639936705 /nfs/dbraw/zinc/93/67/05/639936705.db2.gz NLJBPHOPPRQDNI-CYBMUJFWSA-N 1 1 269.772 3.047 20 10 CGCDMO CO[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CC[C@H]1C ZINC000190195979 640232591 /nfs/dbraw/zinc/23/25/91/640232591.db2.gz OUNYXWFBDMXBGU-ACJLOTCBSA-N 1 1 285.387 3.402 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1C ZINC000245570103 640627439 /nfs/dbraw/zinc/62/74/39/640627439.db2.gz WSJNCBGLFGYHOY-HOTGVXAUSA-N 1 1 288.435 3.144 20 10 CGCDMO CCC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000093508679 640774230 /nfs/dbraw/zinc/77/42/30/640774230.db2.gz ACWILPLJPOHEDC-CYBMUJFWSA-N 1 1 269.772 3.047 20 10 CGCDMO CCC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000093508679 640774235 /nfs/dbraw/zinc/77/42/35/640774235.db2.gz ACWILPLJPOHEDC-CYBMUJFWSA-N 1 1 269.772 3.047 20 10 CGCDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cccc(OC)c2O)C1(C)C ZINC000093605312 640776859 /nfs/dbraw/zinc/77/68/59/640776859.db2.gz WKSMNGWKOIUBRE-GJZGRUSLSA-N 1 1 293.407 3.036 20 10 CGCDMO Cc1cccc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)c1O ZINC000252733999 640860892 /nfs/dbraw/zinc/86/08/92/640860892.db2.gz XSYPGTBBTAPVIF-NEPJUHHUSA-N 1 1 251.395 3.026 20 10 CGCDMO Cc1cc(F)ccc1[C@H](O)C[N@H+](C)Cc1ccccc1O ZINC000304478539 640863742 /nfs/dbraw/zinc/86/37/42/640863742.db2.gz AHAIILSIGUUHDU-QGZVFWFLSA-N 1 1 289.350 3.005 20 10 CGCDMO Cc1c([C@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2O)cnn1C ZINC001254721671 806487197 /nfs/dbraw/zinc/48/71/97/806487197.db2.gz UGUGLBJWKCMLSS-BDAKNGLRSA-N 1 1 295.333 3.124 20 10 CGCDMO C[C@H](CC(F)(F)F)[N@H+]1CCc2cccc(O)c2C1 ZINC001255660600 806697215 /nfs/dbraw/zinc/69/72/15/806697215.db2.gz IYRYZMKZJVWGGM-SECBINFHSA-N 1 1 259.271 3.091 20 10 CGCDMO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCCC1(F)F)CC2 ZINC000397970190 799524828 /nfs/dbraw/zinc/52/48/28/799524828.db2.gz SYFGPHYPLPHLRS-CMPLNLGQSA-N 1 1 253.292 3.157 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(C)ccc2O)[C@@H](CC)CO1 ZINC000403805125 799572341 /nfs/dbraw/zinc/57/23/41/799572341.db2.gz IIKNRKXJQFEAGI-GJZGRUSLSA-N 1 1 263.381 3.090 20 10 CGCDMO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cc(C)ccc1O ZINC000403823568 799572374 /nfs/dbraw/zinc/57/23/74/799572374.db2.gz LZGKNWAIFQZQSH-CQSZACIVSA-N 1 1 263.381 3.090 20 10 CGCDMO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1cc[nH+]c(N)n1 ZINC001163488878 806769343 /nfs/dbraw/zinc/76/93/43/806769343.db2.gz ZCUXFMDRRAGECA-OAHLLOKOSA-N 1 1 298.390 3.117 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1cscn1)c1cc(F)ccc1O ZINC000697821808 799849839 /nfs/dbraw/zinc/84/98/39/799849839.db2.gz PDUAVZZJXUJTMI-BDAKNGLRSA-N 1 1 266.341 3.400 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH+]1CCC(C(F)F)CC1 ZINC000708413122 799988163 /nfs/dbraw/zinc/98/81/63/799988163.db2.gz MAABGCSSLFSEHC-UHFFFAOYSA-N 1 1 277.261 3.148 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1CCCC1(F)F ZINC000708517818 799990889 /nfs/dbraw/zinc/99/08/89/799990889.db2.gz UQIAAXTUJLLYJQ-SECBINFHSA-N 1 1 277.261 3.195 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](C3CCCC3)C2)c1 ZINC000708871964 799999794 /nfs/dbraw/zinc/99/97/94/799999794.db2.gz WRPZJAZAGGXEGS-CQSZACIVSA-N 1 1 275.392 3.413 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)[C@H]1CC[C@@H](SC)C1 ZINC001116444857 802353315 /nfs/dbraw/zinc/35/33/15/802353315.db2.gz BQLNLJNJGCGKQT-NWDGAFQWSA-N 1 1 281.421 3.117 20 10 CGCDMO CO[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CC[C@H]1C ZINC001116721085 802401372 /nfs/dbraw/zinc/40/13/72/802401372.db2.gz PVQXGGIPXSABGR-CRAIPNDOSA-N 1 1 288.435 3.144 20 10 CGCDMO CC[C@H]([NH2+]CCC1CCOCC1)c1ccc(F)cc1O ZINC001117113954 802434372 /nfs/dbraw/zinc/43/43/72/802434372.db2.gz XIUKZHXNVKIXAO-HNNXBMFYSA-N 1 1 281.371 3.389 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1ccc(F)cc1[O-] ZINC001117139605 802436641 /nfs/dbraw/zinc/43/66/41/802436641.db2.gz OHCNBLOHMNLOPY-XJKSGUPXSA-N 1 1 294.414 3.304 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](OC(C)C)C2)cc1Cl ZINC001118577825 802586059 /nfs/dbraw/zinc/58/60/59/802586059.db2.gz LKQIPKPLTJDWDD-CYBMUJFWSA-N 1 1 283.799 3.353 20 10 CGCDMO C[C@@H](C[N@@H+](C)Cc1ccc(N(C)C)cc1)C(F)(F)F ZINC001208892550 813884067 /nfs/dbraw/zinc/88/40/67/813884067.db2.gz SBQUJDUQXCFEED-NSHDSACASA-N 1 1 274.330 3.383 20 10 CGCDMO C[N@H+](CCc1cccs1)Cc1c(O)cccc1F ZINC001137837647 803781558 /nfs/dbraw/zinc/78/15/58/803781558.db2.gz POHPPFXCGPNVSD-UHFFFAOYSA-N 1 1 265.353 3.267 20 10 CGCDMO C[N@@H+](CCc1cccs1)Cc1c(O)cccc1F ZINC001137837647 803781561 /nfs/dbraw/zinc/78/15/61/803781561.db2.gz POHPPFXCGPNVSD-UHFFFAOYSA-N 1 1 265.353 3.267 20 10 CGCDMO CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1cccc(F)c1O)C2 ZINC001138124911 803862957 /nfs/dbraw/zinc/86/29/57/803862957.db2.gz DEMOJYOOQVSBHV-PBHICJAKSA-N 1 1 293.382 3.170 20 10 CGCDMO CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc(F)c1O)C2 ZINC001138124911 803862966 /nfs/dbraw/zinc/86/29/66/803862966.db2.gz DEMOJYOOQVSBHV-PBHICJAKSA-N 1 1 293.382 3.170 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1F ZINC001138215376 803875200 /nfs/dbraw/zinc/87/52/00/803875200.db2.gz BRABGHVFKHJZFD-PBHICJAKSA-N 1 1 276.399 3.467 20 10 CGCDMO Cc1c(C[N@H+]2CCOC(C)(C)C2)c2ccccc2n1C ZINC001138252546 803879134 /nfs/dbraw/zinc/87/91/34/803879134.db2.gz KWXAGNAJORSZOU-UHFFFAOYSA-N 1 1 272.392 3.098 20 10 CGCDMO Cc1c(C[N@@H+]2CCC[C@H](C)[C@H]2CO)c2ccccc2n1C ZINC001138252348 803879874 /nfs/dbraw/zinc/87/98/74/803879874.db2.gz CZONYFUMDRWKAV-SCLBCKFNSA-N 1 1 286.419 3.080 20 10 CGCDMO Cc1c(C[N@@H+]2C[C@@H](CO)CC[C@H]2C)c2ccccc2n1C ZINC001138252674 803881913 /nfs/dbraw/zinc/88/19/13/803881913.db2.gz PQYSPEKSZKSYKG-HIFRSBDPSA-N 1 1 286.419 3.080 20 10 CGCDMO CC[N@@H+](CCn1cccn1)Cc1c(C)n(C)c2ccccc21 ZINC001138258080 803883834 /nfs/dbraw/zinc/88/38/34/803883834.db2.gz KRHOUYLVJVGGDN-UHFFFAOYSA-N 1 1 296.418 3.205 20 10 CGCDMO CCCC[C@@H]1C[C@@H](NCc2ccc3c(c2)CCO3)CC[NH2+]1 ZINC001246199189 804205295 /nfs/dbraw/zinc/20/52/95/804205295.db2.gz KDBYVWVDWQZMCI-SJORKVTESA-N 1 1 288.435 3.022 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1ccc(O)cc1Cl ZINC001140083888 804373530 /nfs/dbraw/zinc/37/35/30/804373530.db2.gz RMAAWVKMVCNDTP-UHFFFAOYSA-N 1 1 277.751 3.383 20 10 CGCDMO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(O)cccc1Br ZINC001140098745 804376941 /nfs/dbraw/zinc/37/69/41/804376941.db2.gz LCJCDWNUINJMTK-BDAKNGLRSA-N 1 1 288.160 3.087 20 10 CGCDMO C[C@@H]1C[C@H](F)C[N@H+]1Cc1c(O)cccc1Br ZINC001140098745 804376950 /nfs/dbraw/zinc/37/69/50/804376950.db2.gz LCJCDWNUINJMTK-BDAKNGLRSA-N 1 1 288.160 3.087 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCC(F)(F)[C@H](C)C2)c1O ZINC001140178168 804394777 /nfs/dbraw/zinc/39/47/77/804394777.db2.gz BKSQEQMGAKUUGJ-GFCCVEGCSA-N 1 1 269.335 3.486 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c1O ZINC001140182067 804397118 /nfs/dbraw/zinc/39/71/18/804397118.db2.gz HOZUEMKARGHKRI-LLVKDONJSA-N 1 1 273.298 3.393 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001140337749 804418553 /nfs/dbraw/zinc/41/85/53/804418553.db2.gz CGORNQQGZJUWIJ-OAHLLOKOSA-N 1 1 281.783 3.191 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001140338041 804418660 /nfs/dbraw/zinc/41/86/60/804418660.db2.gz SLOBJPSUDKNRGR-NHYWBVRUSA-N 1 1 281.783 3.047 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001140463080 804440731 /nfs/dbraw/zinc/44/07/31/804440731.db2.gz RWHSMNPTVDSVSP-IAQYHMDHSA-N 1 1 281.783 3.047 20 10 CGCDMO COCC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001140466966 804443687 /nfs/dbraw/zinc/44/36/87/804443687.db2.gz NWHHRVDLALHJTG-CQSZACIVSA-N 1 1 283.799 3.437 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCOC[C@H]2C2CCCCC2)c1 ZINC001140624212 804477940 /nfs/dbraw/zinc/47/79/40/804477940.db2.gz LDVHOLNFQDIGLA-KRWDZBQOSA-N 1 1 289.419 3.482 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CCC23CCCCC3)c1O ZINC001140743969 804503333 /nfs/dbraw/zinc/50/33/33/804503333.db2.gz GWNSTOMNLCYRCB-UHFFFAOYSA-N 1 1 261.365 3.315 20 10 CGCDMO CC[N@@H+](Cc1cccs1)Cc1ccc(O)c(C)c1O ZINC001140747685 804504239 /nfs/dbraw/zinc/50/42/39/804504239.db2.gz IPYLMEQIPRQGOG-UHFFFAOYSA-N 1 1 277.389 3.490 20 10 CGCDMO Cc1ccc2c(c1)CC[N@H+](Cc1ccc(O)c(C)c1O)C2 ZINC001140749785 804504339 /nfs/dbraw/zinc/50/43/39/804504339.db2.gz NAGMWJNIQRFJSK-UHFFFAOYSA-N 1 1 283.371 3.273 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC3(CC3)C2)c(O)c1 ZINC001140850426 804533360 /nfs/dbraw/zinc/53/33/60/804533360.db2.gz LITMXHPLEYPSIQ-UHFFFAOYSA-N 1 1 274.408 3.224 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C(C)(C)C)c(O)c1 ZINC001140855424 804534113 /nfs/dbraw/zinc/53/41/13/804534113.db2.gz YLDZJNPADVJXSD-UHFFFAOYSA-N 1 1 264.413 3.469 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140921678 804549077 /nfs/dbraw/zinc/54/90/77/804549077.db2.gz MRINBMQBIYWGKI-AWEZNQCLSA-N 1 1 282.815 3.017 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140925988 804550892 /nfs/dbraw/zinc/55/08/92/804550892.db2.gz WQDZUDWURBAHCD-OAHLLOKOSA-N 1 1 296.842 3.407 20 10 CGCDMO Cc1ccc(C[N@@H+](C)CCc2ccccc2)c(O)c1 ZINC001140948759 804556363 /nfs/dbraw/zinc/55/63/63/804556363.db2.gz YVKVXHVGRZINBC-UHFFFAOYSA-N 1 1 255.361 3.375 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@H](OCc3ccccc3)C2)c(O)c1 ZINC001140949389 804556383 /nfs/dbraw/zinc/55/63/83/804556383.db2.gz APIZVCMBGIRIFO-SFHVURJKSA-N 1 1 297.398 3.492 20 10 CGCDMO Cc1ccc(C[N@H+]2CCOc3ccccc3C2)c(O)c1 ZINC001140949660 804556591 /nfs/dbraw/zinc/55/65/91/804556591.db2.gz HIAAXIXMQLBOPS-UHFFFAOYSA-N 1 1 269.344 3.095 20 10 CGCDMO COc1cc2c(cc1OC)C[NH+](Cc1ccc(C)cc1O)C2 ZINC001140953757 804559061 /nfs/dbraw/zinc/55/90/61/804559061.db2.gz GFWSKARLMGBCBL-UHFFFAOYSA-N 1 1 299.370 3.234 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141139858 804596778 /nfs/dbraw/zinc/59/67/78/804596778.db2.gz DCOILIIOXDKOQR-AWEZNQCLSA-N 1 1 274.408 3.137 20 10 CGCDMO C[C@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)CCC[C@@H]1C ZINC001141140442 804597157 /nfs/dbraw/zinc/59/71/57/804597157.db2.gz MFVPKSMVVXWCCK-GJZGRUSLSA-N 1 1 288.435 3.383 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC001141161770 804601263 /nfs/dbraw/zinc/60/12/63/804601263.db2.gz XLEGZUWJQMRZDD-CYBMUJFWSA-N 1 1 287.334 3.226 20 10 CGCDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(O)ccc1O ZINC001141160590 804601491 /nfs/dbraw/zinc/60/14/91/804601491.db2.gz FLNJUDAQWZGSGR-GFCCVEGCSA-N 1 1 269.344 3.045 20 10 CGCDMO C[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(O)ccc1O ZINC001141160595 804601504 /nfs/dbraw/zinc/60/15/04/804601504.db2.gz FLNJUDAQWZGSGR-LBPRGKRZSA-N 1 1 269.344 3.045 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001142508703 804727692 /nfs/dbraw/zinc/72/76/92/804727692.db2.gz IPNLIGZVAATXMD-AOOOYVTPSA-N 1 1 289.272 3.148 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001142508703 804727695 /nfs/dbraw/zinc/72/76/95/804727695.db2.gz IPNLIGZVAATXMD-AOOOYVTPSA-N 1 1 289.272 3.148 20 10 CGCDMO C[C@@H]1CCCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142509133 804728864 /nfs/dbraw/zinc/72/88/64/804728864.db2.gz YCMFVKIDHCEFBL-SNVBAGLBSA-N 1 1 255.308 3.292 20 10 CGCDMO C[C@@H]1CCCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142509133 804728867 /nfs/dbraw/zinc/72/88/67/804728867.db2.gz YCMFVKIDHCEFBL-SNVBAGLBSA-N 1 1 255.308 3.292 20 10 CGCDMO C[N@H+](Cc1ccsc1)Cc1cc(F)c(F)cc1O ZINC001142524642 804731724 /nfs/dbraw/zinc/73/17/24/804731724.db2.gz FJAFIYNNGXBVIY-UHFFFAOYSA-N 1 1 269.316 3.364 20 10 CGCDMO C[N@@H+](Cc1ccsc1)Cc1cc(F)c(F)cc1O ZINC001142524642 804731726 /nfs/dbraw/zinc/73/17/26/804731726.db2.gz FJAFIYNNGXBVIY-UHFFFAOYSA-N 1 1 269.316 3.364 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)CC[C@]1(C)O ZINC001143104518 804801709 /nfs/dbraw/zinc/80/17/09/804801709.db2.gz USLWGZIFHAAIFM-ACJLOTCBSA-N 1 1 291.435 3.283 20 10 CGCDMO CC(C)C[N@H+](C)Cc1cc(Br)c(F)cc1O ZINC001144298599 804969458 /nfs/dbraw/zinc/96/94/58/804969458.db2.gz HFYUBBBIBDJGLL-UHFFFAOYSA-N 1 1 290.176 3.382 20 10 CGCDMO CC(C)C[N@@H+](C)Cc1cc(Br)c(F)cc1O ZINC001144298599 804969462 /nfs/dbraw/zinc/96/94/62/804969462.db2.gz HFYUBBBIBDJGLL-UHFFFAOYSA-N 1 1 290.176 3.382 20 10 CGCDMO CC(C)(C)c1cc(O)c(C[N@H+]2CCC[C@@H]2CO)cc1Cl ZINC001248879652 805030781 /nfs/dbraw/zinc/03/07/81/805030781.db2.gz CFSHTLXBQVSBTJ-GFCCVEGCSA-N 1 1 297.826 3.300 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCCSC2)cc1 ZINC001257684537 807215930 /nfs/dbraw/zinc/21/59/30/807215930.db2.gz UWVZYARCVZWGOF-OAHLLOKOSA-N 1 1 264.438 3.080 20 10 CGCDMO C[C@@H]1CC[C@@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001170147614 807774954 /nfs/dbraw/zinc/77/49/54/807774954.db2.gz DFWOMHGQJISLMO-BXUZGUMPSA-N 1 1 261.365 3.035 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2ccc(N)cc2)[C@@H](c2ccccc2)CO1 ZINC001262488214 807867479 /nfs/dbraw/zinc/86/74/79/807867479.db2.gz UTDHFUBQQHAGQF-RDTXWAMCSA-N 1 1 282.387 3.231 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N)cc2)[C@@H](c2ccccc2)CO1 ZINC001262488214 807867486 /nfs/dbraw/zinc/86/74/86/807867486.db2.gz UTDHFUBQQHAGQF-RDTXWAMCSA-N 1 1 282.387 3.231 20 10 CGCDMO NCc1cc(NCc2cc3ccccc3cc2O)cc[nH+]1 ZINC001171406989 808049449 /nfs/dbraw/zinc/04/94/49/808049449.db2.gz IKVABLBMNVHCKN-UHFFFAOYSA-N 1 1 279.343 3.011 20 10 CGCDMO CC[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001171778180 808136492 /nfs/dbraw/zinc/13/64/92/808136492.db2.gz JYWYNXPLXRGXRB-HNNXBMFYSA-N 1 1 276.424 3.142 20 10 CGCDMO Oc1cc(F)ccc1Nc1cc[nH+]c2ccccc12 ZINC001174038871 808837379 /nfs/dbraw/zinc/83/73/79/808837379.db2.gz QODRQSILEQUYDM-UHFFFAOYSA-N 1 1 254.264 3.245 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c1 ZINC001180664766 810017253 /nfs/dbraw/zinc/01/72/53/810017253.db2.gz JDVKNPTVPZZJLP-SUMWQHHRSA-N 1 1 298.386 3.379 20 10 CGCDMO Cc1ccc(C[N@H+]2CCOc3ccc(C)cc3C2)c(O)c1 ZINC001181675577 810066376 /nfs/dbraw/zinc/06/63/76/810066376.db2.gz SRWNHRHNOHAQGR-UHFFFAOYSA-N 1 1 283.371 3.404 20 10 CGCDMO COc1ccc(N(C)C[C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001195810967 811295113 /nfs/dbraw/zinc/29/51/13/811295113.db2.gz WYQGBPMZKBUZQG-INIZCTEOSA-N 1 1 276.424 3.394 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCO[C@@H](C(C)(C)C)CC2)cc1 ZINC001198799570 811543933 /nfs/dbraw/zinc/54/39/33/811543933.db2.gz BOWDXTWDCCJAGV-QGZVFWFLSA-N 1 1 290.451 3.390 20 10 CGCDMO COCc1cccc(CNc2ccc3c(c2)[nH+]cn3C)c1 ZINC001201114564 811787299 /nfs/dbraw/zinc/78/72/99/811787299.db2.gz IQEIKUYUBQIGKZ-UHFFFAOYSA-N 1 1 281.359 3.332 20 10 CGCDMO CCC[C@H](C)C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001201554086 811901601 /nfs/dbraw/zinc/90/16/01/811901601.db2.gz UCCBJYUBWCYDIW-LBPRGKRZSA-N 1 1 263.381 3.282 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001203556544 812391104 /nfs/dbraw/zinc/39/11/04/812391104.db2.gz RUTOWJRCQCKXHI-AWEZNQCLSA-N 1 1 268.360 3.167 20 10 CGCDMO COc1cccc(C[N@H+](C)Cc2cccc(F)c2F)c1O ZINC001203599913 812405365 /nfs/dbraw/zinc/40/53/65/812405365.db2.gz NMNFPMNCQAWMCU-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2cccc(F)c2F)c1O ZINC001203599913 812405369 /nfs/dbraw/zinc/40/53/69/812405369.db2.gz NMNFPMNCQAWMCU-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO COc1cccc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1O ZINC001203599531 812405581 /nfs/dbraw/zinc/40/55/81/812405581.db2.gz HQLDKHXEHOFYNG-GASCZTMLSA-N 1 1 295.382 3.488 20 10 CGCDMO CCC[N@@H+](Cc1ccc(OC)cc1O)[C@@H](C)CC ZINC001203617031 812408329 /nfs/dbraw/zinc/40/83/29/812408329.db2.gz GNLANHAAXLAVAD-LBPRGKRZSA-N 1 1 251.370 3.411 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](F)CC1 ZINC001203651812 812414893 /nfs/dbraw/zinc/41/48/93/812414893.db2.gz XJGSZSQGRMUJHX-GFCCVEGCSA-N 1 1 257.736 3.370 20 10 CGCDMO C[N@@H+](C/C=C/c1ccccc1)Cc1ccc(O)c(O)c1 ZINC001203879974 812478960 /nfs/dbraw/zinc/47/89/60/812478960.db2.gz LBYWOXGZJDWEOQ-VMPITWQZSA-N 1 1 269.344 3.243 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)cc1 ZINC001203941586 812497080 /nfs/dbraw/zinc/49/70/80/812497080.db2.gz CGCZZACDZSKFOO-WMZOPIPTSA-N 1 1 288.435 3.144 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](F)C[C@H]2C)cc1 ZINC001203936867 812497244 /nfs/dbraw/zinc/49/72/44/812497244.db2.gz QAJJVCLRYRFKGW-HIFRSBDPSA-N 1 1 264.388 3.465 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC(=O)[C@@H](F)CC2)cc1 ZINC001203940310 812497491 /nfs/dbraw/zinc/49/74/91/812497491.db2.gz LTYSGJZOLAINPI-INIZCTEOSA-N 1 1 292.398 3.036 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2CCC(=O)[C@@H](F)CC2)cc1 ZINC001203940310 812497494 /nfs/dbraw/zinc/49/74/94/812497494.db2.gz 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/nfs/dbraw/zinc/58/19/14/812581914.db2.gz LBBAJRZGPNTTCX-AWEZNQCLSA-N 1 1 284.403 3.127 20 10 CGCDMO CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(O)cc1O ZINC001204279628 812593607 /nfs/dbraw/zinc/59/36/07/812593607.db2.gz CXNGADYUSWRJCT-UHFFFAOYSA-N 1 1 275.323 3.259 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)cc(O)c1O ZINC001204348687 812618125 /nfs/dbraw/zinc/61/81/25/812618125.db2.gz IFVXAHOPSUJWFR-ZIAGYGMSSA-N 1 1 291.391 3.119 20 10 CGCDMO C[C@H]1Cc2cc(C[N@@H+](C)Cc3ccccc3O)ccc2O1 ZINC001204826921 812748590 /nfs/dbraw/zinc/74/85/90/812748590.db2.gz ODBNLICTRPSTCL-ZDUSSCGKSA-N 1 1 283.371 3.348 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1O ZINC001204892080 812766878 /nfs/dbraw/zinc/76/68/78/812766878.db2.gz UVQSMCLMMBEVAP-UKRRQHHQSA-N 1 1 275.392 3.474 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCCC[C@H](C)C2)c1O ZINC001205437761 812982936 /nfs/dbraw/zinc/98/29/36/812982936.db2.gz JUPPBPMUBFWWBW-LBPRGKRZSA-N 1 1 263.381 3.331 20 10 CGCDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1c(C)cc(OC)cc1O 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ZINC001236827937 819610584 /nfs/dbraw/zinc/61/05/84/819610584.db2.gz XDWOBTOBCBEIKM-UHFFFAOYSA-N 1 1 271.360 3.156 20 10 CGCDMO CCN(CC)[C@@H]1CC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236833159 819613706 /nfs/dbraw/zinc/61/37/06/819613706.db2.gz OTEIOCNRLDBNJB-GOSISDBHSA-N 1 1 298.430 3.462 20 10 CGCDMO CCN(CC)[C@@H]1CC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236833159 819613708 /nfs/dbraw/zinc/61/37/08/819613708.db2.gz OTEIOCNRLDBNJB-GOSISDBHSA-N 1 1 298.430 3.462 20 10 CGCDMO COCC[N@@H+](Cc1cc2ccccc2cc1O)C(C)C ZINC001236836265 819615755 /nfs/dbraw/zinc/61/57/55/819615755.db2.gz BDIXYXLGXIPYEH-UHFFFAOYSA-N 1 1 273.376 3.402 20 10 CGCDMO CC[N@@H+](CCN1CCCC1)Cc1cc2ccccc2cc1O ZINC001236841836 819618256 /nfs/dbraw/zinc/61/82/56/819618256.db2.gz PLWWKPQWCMFLMC-UHFFFAOYSA-N 1 1 298.430 3.463 20 10 CGCDMO CCN(CC[NH+]1CCCC1)Cc1cc2ccccc2cc1O ZINC001236841836 819618258 /nfs/dbraw/zinc/61/82/58/819618258.db2.gz PLWWKPQWCMFLMC-UHFFFAOYSA-N 1 1 298.430 3.463 20 10 CGCDMO CCCOC1C[NH+](Cc2cc3ccccc3cc2O)C1 ZINC001236841887 819619024 /nfs/dbraw/zinc/61/90/24/819619024.db2.gz QCQKPXAMULUTMN-UHFFFAOYSA-N 1 1 271.360 3.156 20 10 CGCDMO Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc(N)cc3)C2)n1 ZINC001236849355 819620598 /nfs/dbraw/zinc/62/05/98/819620598.db2.gz WCRNTWPQCAZPCX-QGZVFWFLSA-N 1 1 297.402 3.016 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CC[C@@]3(CCCO3)C2)c(O)c1 ZINC001237047044 819650205 /nfs/dbraw/zinc/65/02/05/819650205.db2.gz YXNNHUFXMVWHFV-KRWDZBQOSA-N 1 1 275.392 3.271 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CC[C@](C)(O)[C@@H](C)C2)c(O)c1 ZINC001237046744 819650392 /nfs/dbraw/zinc/65/03/92/819650392.db2.gz WTDNFSZASYNVLD-GUYCJALGSA-N 1 1 277.408 3.108 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)Cc2cccnc2C)c(O)c1 ZINC001237046365 819650994 /nfs/dbraw/zinc/65/09/94/819650994.db2.gz MNZIQWCLLBONOA-UHFFFAOYSA-N 1 1 286.375 3.126 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237046162 819651072 /nfs/dbraw/zinc/65/10/72/819651072.db2.gz QVZVXCRNGDJLGY-OAHLLOKOSA-N 1 1 263.381 3.126 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CO)c(O)c1 ZINC001237046187 819651266 /nfs/dbraw/zinc/65/12/66/819651266.db2.gz RASTYKPKKPKCDJ-XJKSGUPXSA-N 1 1 277.408 3.108 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCn3cccc3C2)c(O)c1 ZINC001237054215 819654240 /nfs/dbraw/zinc/65/42/40/819654240.db2.gz SSHLNBDZJHBFRI-UHFFFAOYSA-N 1 1 270.376 3.333 20 10 CGCDMO CO[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237078913 819662724 /nfs/dbraw/zinc/66/27/24/819662724.db2.gz ZUTJPWQUAINRRK-VIFPVBQESA-N 1 1 290.190 3.310 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237078913 819662725 /nfs/dbraw/zinc/66/27/25/819662725.db2.gz ZUTJPWQUAINRRK-VIFPVBQESA-N 1 1 290.190 3.310 20 10 CGCDMO CC(C)O[C@@H]1CC[N@@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237127549 819673082 /nfs/dbraw/zinc/67/30/82/819673082.db2.gz HBOWLXDJNHIDMH-SNVBAGLBSA-N 1 1 287.762 3.184 20 10 CGCDMO Oc1ccc(F)c(Cl)c1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001237127636 819673825 /nfs/dbraw/zinc/67/38/25/819673825.db2.gz DOQVXXALBRIOFJ-GZMMTYOYSA-N 1 1 255.720 3.169 20 10 CGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CCNC2=CCCC[C@@H]21 ZINC001237220959 819700350 /nfs/dbraw/zinc/70/03/50/819700350.db2.gz UOBSARZXCJUEDT-IBGZPJMESA-N 1 1 297.446 3.128 20 10 CGCDMO c1cc(N2CCCC2)ccc1CN1CC[NH2+]C2=CCCC[C@@H]21 ZINC001237220959 819700355 /nfs/dbraw/zinc/70/03/55/819700355.db2.gz UOBSARZXCJUEDT-IBGZPJMESA-N 1 1 297.446 3.128 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1Cc2ccc(F)cc2C1 ZINC001237487508 819762195 /nfs/dbraw/zinc/76/21/95/819762195.db2.gz JLMNOSKXOVEMKQ-UHFFFAOYSA-N 1 1 257.308 3.356 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@](C)(O)[C@H](C)C2)c1O ZINC001237681776 819807027 /nfs/dbraw/zinc/80/70/27/819807027.db2.gz RKEQFRRACNUBBP-WBMJQRKESA-N 1 1 297.826 3.337 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001237948266 819893501 /nfs/dbraw/zinc/89/35/01/819893501.db2.gz BRSCQYTYONXLDJ-WCBMZHEXSA-N 1 1 255.720 3.169 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001237948266 819893511 /nfs/dbraw/zinc/89/35/11/819893511.db2.gz BRSCQYTYONXLDJ-WCBMZHEXSA-N 1 1 255.720 3.169 20 10 CGCDMO Cc1cc(F)cc(C[N@@H+]2CCCC(F)(F)[C@H](F)C2)c1O ZINC001238061269 819920104 /nfs/dbraw/zinc/92/01/04/819920104.db2.gz LBJCYJKNFOVNAJ-GFCCVEGCSA-N 1 1 291.288 3.409 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CCCC(F)(F)[C@H](F)C2)c1O ZINC001238061269 819920110 /nfs/dbraw/zinc/92/01/10/819920110.db2.gz LBJCYJKNFOVNAJ-GFCCVEGCSA-N 1 1 291.288 3.409 20 10 CGCDMO Cc1cc(F)cc(C[N@@H+]2CCCC[C@H](C)C2)c1O ZINC001238057798 819920149 /nfs/dbraw/zinc/92/01/49/819920149.db2.gz NNZAVJGRZSCLNU-NSHDSACASA-N 1 1 251.345 3.462 20 10 CGCDMO Cc1ccc(O)cc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001238103430 819934479 /nfs/dbraw/zinc/93/44/79/819934479.db2.gz NVGWGWJSBDENMN-UHFFFAOYSA-N 1 1 284.403 3.399 20 10 CGCDMO C[N@@H+]1CC=C(c2ccc(N3CCCCC3)cc2)CC1 ZINC001241330634 821738143 /nfs/dbraw/zinc/73/81/43/821738143.db2.gz WKUDXTIVGGSEKS-UHFFFAOYSA-N 1 1 256.393 3.396 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]Cc1ccc(Cl)nc1 ZINC001461063211 937562252 /nfs/dbraw/zinc/56/22/52/937562252.db2.gz FMAQFCMBCHGBSE-UHFFFAOYSA-N 1 1 284.693 3.009 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCO[C@H](C)[C@H]2C)c1 ZINC001461959988 937608941 /nfs/dbraw/zinc/60/89/41/937608941.db2.gz LYIJTYDPVMULHW-CHWSQXEVSA-N 1 1 263.381 3.125 20 10 CGCDMO CCC[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC001461963814 937609479 /nfs/dbraw/zinc/60/94/79/937609479.db2.gz WVAJAKNANPCBHH-SUQGKYDKSA-N 1 1 288.435 3.267 20 10 CGCDMO CCC[C@@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC001461963814 937609480 /nfs/dbraw/zinc/60/94/80/937609480.db2.gz WVAJAKNANPCBHH-SUQGKYDKSA-N 1 1 288.435 3.267 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c(Cl)c1 ZINC001462176364 937622839 /nfs/dbraw/zinc/62/28/39/937622839.db2.gz IWXQUOJFURXOEF-MEDUHNTESA-N 1 1 295.810 3.353 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c(Cl)c1 ZINC001462176364 937622841 /nfs/dbraw/zinc/62/28/41/937622841.db2.gz IWXQUOJFURXOEF-MEDUHNTESA-N 1 1 295.810 3.353 20 10 CGCDMO Cc1cccc(C[NH2+]Cc2c(O)cccc2F)c1F ZINC001462589069 937652522 /nfs/dbraw/zinc/65/25/22/937652522.db2.gz JINRFDKEMULMCX-UHFFFAOYSA-N 1 1 263.287 3.269 20 10 CGCDMO C[N@H+](CCOc1ccccc1)Cc1cc(F)cc(F)c1O ZINC001308559327 933133199 /nfs/dbraw/zinc/13/31/99/933133199.db2.gz BLTHSDPRYBBEIY-UHFFFAOYSA-N 1 1 293.313 3.181 20 10 CGCDMO C[N@@H+](CCOc1ccccc1)Cc1cc(F)cc(F)c1O ZINC001308559327 933133201 /nfs/dbraw/zinc/13/32/01/933133201.db2.gz BLTHSDPRYBBEIY-UHFFFAOYSA-N 1 1 293.313 3.181 20 10 CGCDMO Cc1cc(O)c(CN(C)C[C@@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC001308585637 933138261 /nfs/dbraw/zinc/13/82/61/933138261.db2.gz PNASRCOMXDPTRG-CYBMUJFWSA-N 1 1 296.842 3.128 20 10 CGCDMO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1ccc(C)cc1O ZINC001308852593 933190887 /nfs/dbraw/zinc/19/08/87/933190887.db2.gz QKCYDJRVHPCKTA-CQSZACIVSA-N 1 1 263.381 3.090 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+]CCCCC1CC1 ZINC001474665530 933627950 /nfs/dbraw/zinc/62/79/50/933627950.db2.gz IDDCMWXTCNTMCY-UHFFFAOYSA-N 1 1 255.308 3.340 20 10 CGCDMO COc1cc(C[N@@H+](C)CCC(F)(F)F)c(O)cc1C ZINC001319687186 933915628 /nfs/dbraw/zinc/91/56/28/933915628.db2.gz BWYNGDDZNRUZHL-UHFFFAOYSA-N 1 1 277.286 3.093 20 10 CGCDMO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC001320118325 934003588 /nfs/dbraw/zinc/00/35/88/934003588.db2.gz IFUDMXRKGUSMIW-HOTGVXAUSA-N 1 1 290.451 3.392 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H]1CCCN(CC)C1)c1ccc(C)cc1O ZINC001321542406 934194093 /nfs/dbraw/zinc/19/40/93/934194093.db2.gz LKNMKSGFFQTHKW-NVXWUHKLSA-N 1 1 290.451 3.473 20 10 CGCDMO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCCC[C@H]1N ZINC001326584721 934991597 /nfs/dbraw/zinc/99/15/97/934991597.db2.gz XVFSMAXTTUCUNY-AAVRWANBSA-N 1 1 274.408 3.108 20 10 CGCDMO COc1ccc2ccc(O)c(C[N@@H+](C)CCCF)c2c1 ZINC001331081495 935348840 /nfs/dbraw/zinc/34/88/40/935348840.db2.gz VZQHTNDYJCLDID-UHFFFAOYSA-N 1 1 277.339 3.345 20 10 CGCDMO CC[N@@H+](Cc1cc(C)cc(OC)c1O)C(C)(C)C ZINC001331549295 935392149 /nfs/dbraw/zinc/39/21/49/935392149.db2.gz RMNKEYLXGAVMID-UHFFFAOYSA-N 1 1 251.370 3.330 20 10 CGCDMO Nc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC001334775436 936112971 /nfs/dbraw/zinc/11/29/71/936112971.db2.gz XWJYMOTUXJJBLH-GOSISDBHSA-N 1 1 266.388 3.476 20 10 CGCDMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2O)C1 ZINC001337074196 936235273 /nfs/dbraw/zinc/23/52/73/936235273.db2.gz ZAAOIWDOGHTUBR-CHWSQXEVSA-N 1 1 251.395 3.108 20 10 CGCDMO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001473799523 937822075 /nfs/dbraw/zinc/82/20/75/937822075.db2.gz DAUZAJKFKVIPHL-IBGZPJMESA-N 1 1 298.430 3.226 20 10 CGCDMO CN(C)c1cc(F)c(C[N@H+]2CCCC2(C)C)cc1F ZINC001474354685 937853814 /nfs/dbraw/zinc/85/38/14/937853814.db2.gz CGCACGRKQYCFHZ-UHFFFAOYSA-N 1 1 268.351 3.405 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCOCC23CCCC3)cc1Cl ZINC001474373488 937855380 /nfs/dbraw/zinc/85/53/80/937855380.db2.gz LVFVJFWFJLFRDD-UHFFFAOYSA-N 1 1 295.810 3.499 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCOCC23CCCC3)cc1Cl ZINC001474373488 937855382 /nfs/dbraw/zinc/85/53/82/937855382.db2.gz LVFVJFWFJLFRDD-UHFFFAOYSA-N 1 1 295.810 3.499 20 10 CGCDMO C[C@@H](CC(F)(F)F)[NH2+]Cc1cc(F)c(F)cc1O ZINC001474422543 937858935 /nfs/dbraw/zinc/85/89/35/937858935.db2.gz LSOKICAFNZXURB-LURJTMIESA-N 1 1 269.213 3.101 20 10 CGCDMO [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC001560664220 938268572 /nfs/dbraw/zinc/26/85/72/938268572.db2.gz JBDCQOTZWJPEHM-AWEZNQCLSA-N 1 1 289.325 3.487 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC001560664220 938268573 /nfs/dbraw/zinc/26/85/73/938268573.db2.gz JBDCQOTZWJPEHM-AWEZNQCLSA-N 1 1 289.325 3.487 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC001560664220 938268575 /nfs/dbraw/zinc/26/85/75/938268575.db2.gz JBDCQOTZWJPEHM-AWEZNQCLSA-N 1 1 289.325 3.487 20 10 CGCDMO CCC[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC001560661536 938268746 /nfs/dbraw/zinc/26/87/46/938268746.db2.gz DUGHSRIHSMKVQB-ZDUSSCGKSA-N 1 1 293.407 3.422 20 10 CGCDMO CCc1cccc(C[N@@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)c1O ZINC001560835035 938278668 /nfs/dbraw/zinc/27/86/68/938278668.db2.gz YHEYDQVSRBWGRX-HZPDHXFCSA-N 1 1 289.419 3.344 20 10 CGCDMO CC[N@H+](Cc1cc(C(C)C)ccc1O)C[C@H](C)OC ZINC001560846075 938279230 /nfs/dbraw/zinc/27/92/30/938279230.db2.gz YQFJXBRFIDXLAV-ZDUSSCGKSA-N 1 1 265.397 3.372 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC[C@H](C3CC3)C2)c(O)c1 ZINC001560867817 938280665 /nfs/dbraw/zinc/28/06/65/938280665.db2.gz OPUVQPSBNQLTFT-AWEZNQCLSA-N 1 1 275.392 3.331 20 10 CGCDMO CCc1ccccc1C[NH2+]Cc1c(O)cccc1F ZINC001561016320 938289604 /nfs/dbraw/zinc/28/96/04/938289604.db2.gz UFLMIMXSXPTBBL-UHFFFAOYSA-N 1 1 259.324 3.384 20 10 CGCDMO Oc1cccc(F)c1C[NH2+][C@H]1CCc2ccccc2C1 ZINC001561016164 938289676 /nfs/dbraw/zinc/28/96/76/938289676.db2.gz PNNJKDIFVNHSOW-AWEZNQCLSA-N 1 1 271.335 3.178 20 10 CGCDMO C[N@H+](Cc1ccccc1O)Cc1cc(F)cc(F)c1O ZINC001308623868 958797645 /nfs/dbraw/zinc/79/76/45/958797645.db2.gz IGGBUYSTMHVQTB-UHFFFAOYSA-N 1 1 279.286 3.008 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1cc(F)cc(F)c1O ZINC001308623868 958797666 /nfs/dbraw/zinc/79/76/66/958797666.db2.gz IGGBUYSTMHVQTB-UHFFFAOYSA-N 1 1 279.286 3.008 20 10 CGCDMO COc1ccc(O)c([C@H](C)NC[C@H]([NH3+])CCC(C)(C)C)c1 ZINC001579230745 962623681 /nfs/dbraw/zinc/62/36/81/962623681.db2.gz YUGMBKUWUGVRJD-QWHCGFSZSA-N 1 1 294.439 3.205 20 10 CGCDMO Nc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1 ZINC001580443657 962728169 /nfs/dbraw/zinc/72/81/69/962728169.db2.gz WECDLGJPYOWDIS-QGZVFWFLSA-N 1 1 286.419 3.050 20 10 CGCDMO C[C@@H](C[N@H+]1CCc2cccc(O)c2C1)OCc1ccccc1 ZINC000090769596 180037501 /nfs/dbraw/zinc/03/75/01/180037501.db2.gz IFIQZMQQYONDMM-HNNXBMFYSA-N 1 1 297.398 3.356 20 10 CGCDMO CCC[N@@H+](CCCCOC)Cc1ccccc1O ZINC000117877105 370600941 /nfs/dbraw/zinc/60/09/41/370600941.db2.gz HVOXRUBACHDWEM-UHFFFAOYSA-N 1 1 251.370 3.031 20 10 CGCDMO CC[C@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(F)cc1O ZINC000287350922 371642397 /nfs/dbraw/zinc/64/23/97/371642397.db2.gz GTCNIWGUUAEZSV-AWEZNQCLSA-N 1 1 280.387 3.056 20 10 CGCDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1cc(F)ccc1O ZINC000289268542 371752152 /nfs/dbraw/zinc/75/21/52/371752152.db2.gz GCNWZQGSXMOSSX-IUODEOHRSA-N 1 1 281.371 3.047 20 10 CGCDMO CCOCC[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000156089011 371962078 /nfs/dbraw/zinc/96/20/78/371962078.db2.gz XAYJSDVNJMKWTB-UHFFFAOYSA-N 1 1 259.349 3.014 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000294745498 372670140 /nfs/dbraw/zinc/67/01/40/372670140.db2.gz RBJIMLVPYSYPCG-DZGCQCFKSA-N 1 1 299.773 3.328 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000294745498 372670147 /nfs/dbraw/zinc/67/01/47/372670147.db2.gz RBJIMLVPYSYPCG-DZGCQCFKSA-N 1 1 299.773 3.328 20 10 CGCDMO C[C@@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)c1ccccc1O ZINC000296512348 373159946 /nfs/dbraw/zinc/15/99/46/373159946.db2.gz PMTANHSAYGIWLV-SECBINFHSA-N 1 1 297.280 3.052 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCCOC2)c1O ZINC000180070195 373961362 /nfs/dbraw/zinc/96/13/62/373961362.db2.gz XWCVZLXQYYSVIY-LBPRGKRZSA-N 1 1 283.799 3.212 20 10 CGCDMO CC[N@@H+](CCc1nccs1)Cc1cccc(C)c1O ZINC000180539277 374020261 /nfs/dbraw/zinc/02/02/61/374020261.db2.gz RSBPFLCKYOPPGH-UHFFFAOYSA-N 1 1 276.405 3.222 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000245694574 376882542 /nfs/dbraw/zinc/88/25/42/376882542.db2.gz BZOSRLXSFJAAGB-XHDPSFHLSA-N 1 1 281.783 3.047 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)C2CCN(C(C)C)CC2)c1 ZINC000271044369 378437248 /nfs/dbraw/zinc/43/72/48/378437248.db2.gz PCMYBPBJVOASMR-UHFFFAOYSA-N 1 1 276.424 3.005 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](C)C2CCN(C(C)C)CC2)c1 ZINC000271044369 378437252 /nfs/dbraw/zinc/43/72/52/378437252.db2.gz PCMYBPBJVOASMR-UHFFFAOYSA-N 1 1 276.424 3.005 20 10 CGCDMO COC1CCC([N@@H+](C)Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000271193398 378479986 /nfs/dbraw/zinc/47/99/86/378479986.db2.gz QJHWLNFNXHHRMI-UHFFFAOYSA-N 1 1 294.414 3.281 20 10 CGCDMO COc1cccc(C2([NH2+]Cc3cccc(F)c3O)CC2)c1 ZINC000272388260 378627383 /nfs/dbraw/zinc/62/73/83/378627383.db2.gz IPXHQVJHQRGCOT-UHFFFAOYSA-N 1 1 287.334 3.319 20 10 CGCDMO CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000273382958 378743262 /nfs/dbraw/zinc/74/32/62/378743262.db2.gz ITVBVAHDJMTAPA-CABCVRRESA-N 1 1 276.424 3.001 20 10 CGCDMO C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc(F)cc1O ZINC000273450636 378746780 /nfs/dbraw/zinc/74/67/80/378746780.db2.gz FWJUPPOMKADAMI-BMIGLBTASA-N 1 1 293.313 3.055 20 10 CGCDMO CCc1nnc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000274818369 378901811 /nfs/dbraw/zinc/90/18/11/378901811.db2.gz AVCIULCCEYKGNZ-LLVKDONJSA-N 1 1 290.436 3.017 20 10 CGCDMO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)c(O)c1 ZINC000283936436 380106898 /nfs/dbraw/zinc/10/68/98/380106898.db2.gz FFSQVAASHHQNOI-CABCVRRESA-N 1 1 288.435 3.144 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)c1cn(C)nc1C)c1ccc(F)cc1O ZINC000286134135 380164217 /nfs/dbraw/zinc/16/42/17/380164217.db2.gz OREJPHJIVCGKLK-BONVTDFDSA-N 1 1 291.370 3.375 20 10 CGCDMO CCC[C@H](CCO)C[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000286275219 380187671 /nfs/dbraw/zinc/18/76/71/380187671.db2.gz VNWRNSWIEAYTPS-DOMZBBRYSA-N 1 1 283.387 3.371 20 10 CGCDMO CC[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(F)cc1O ZINC000286281980 380188221 /nfs/dbraw/zinc/18/82/21/380188221.db2.gz WAONSWMZJWTKSG-ZIAGYGMSSA-N 1 1 289.354 3.373 20 10 CGCDMO CC[C@@H]([NH2+]Cc1ccnc(OC)c1)c1ccc(F)cc1O ZINC000285545494 380150073 /nfs/dbraw/zinc/15/00/73/380150073.db2.gz GEECOYHHNPESEZ-CQSZACIVSA-N 1 1 290.338 3.176 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)c1cn[nH]c1)c1ccc(F)cc1O ZINC000286078825 380158984 /nfs/dbraw/zinc/15/89/84/380158984.db2.gz LLHJSUNBTRVBCZ-RNCFNFMXSA-N 1 1 263.316 3.056 20 10 CGCDMO Oc1ccccc1C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000072952725 285397619 /nfs/dbraw/zinc/39/76/19/285397619.db2.gz WBVQIYFHVYVXIU-MRXNPFEDSA-N 1 1 287.359 3.166 20 10 CGCDMO CSC[C@H]1CCC[N@H+]1Cc1cc(C)ccc1O ZINC000093761429 392239311 /nfs/dbraw/zinc/23/93/11/392239311.db2.gz YFAPUWGWJSITBO-CYBMUJFWSA-N 1 1 251.395 3.028 20 10 CGCDMO COc1ccc(CC[N@@H+](C)Cc2ccccc2O)cc1 ZINC000109770167 392372816 /nfs/dbraw/zinc/37/28/16/392372816.db2.gz QGCLQDPJTUXJMW-UHFFFAOYSA-N 1 1 271.360 3.075 20 10 CGCDMO CCc1cc(N[C@H](C)c2cc(OC)ccc2O)nc(C)[nH+]1 ZINC000302030879 392607694 /nfs/dbraw/zinc/60/76/94/392607694.db2.gz BYORZRKNJKYSOP-SNVBAGLBSA-N 1 1 287.363 3.235 20 10 CGCDMO COc1cc(C[N@@H+](C)Cc2ccccc2O)ccc1C ZINC000193757466 392885139 /nfs/dbraw/zinc/88/51/39/392885139.db2.gz DKVUTSWBRNDUBO-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO CCc1cnc(C[NH2+][C@H](C)c2ccc(F)cc2O)s1 ZINC000185584217 262305888 /nfs/dbraw/zinc/30/58/88/262305888.db2.gz XBKXSPJFTQTQDN-SECBINFHSA-N 1 1 280.368 3.401 20 10 CGCDMO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cccc(F)c1O ZINC000272273984 263003071 /nfs/dbraw/zinc/00/30/71/263003071.db2.gz LUKGSCJPQLMBPF-OAHLLOKOSA-N 1 1 274.339 3.207 20 10 CGCDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1cccc(F)c1O ZINC000272273984 263003072 /nfs/dbraw/zinc/00/30/72/263003072.db2.gz LUKGSCJPQLMBPF-OAHLLOKOSA-N 1 1 274.339 3.207 20 10 CGCDMO Oc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(F)c1O ZINC000272448118 263004537 /nfs/dbraw/zinc/00/45/37/263004537.db2.gz PJCOXIQCBHSCMW-CQSZACIVSA-N 1 1 273.307 3.014 20 10 CGCDMO C[C@@H](CO)[N@H+](Cc1cccc(Cl)c1[O-])CC1CCC1 ZINC000283832260 263084489 /nfs/dbraw/zinc/08/44/89/263084489.db2.gz CQYSYJWCRMRBIZ-NSHDSACASA-N 1 1 283.799 3.029 20 10 CGCDMO CCOc1cccc(C[NH+]2CC(OC(C)(C)CC)C2)c1O ZINC000529639268 270186693 /nfs/dbraw/zinc/18/66/93/270186693.db2.gz AFHPMUBNWDNVIH-UHFFFAOYSA-N 1 1 293.407 3.180 20 10 CGCDMO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000529667836 333504862 /nfs/dbraw/zinc/50/48/62/333504862.db2.gz ABWKBRYYQHGIJG-XULOGPSESA-N 1 1 287.762 3.086 20 10 CGCDMO CC(C)[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000278375229 519795892 /nfs/dbraw/zinc/79/58/92/519795892.db2.gz COYIAJFURWHYNW-QPUJVOFHSA-N 1 1 292.206 3.367 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1O ZINC000292840931 521346743 /nfs/dbraw/zinc/34/67/43/521346743.db2.gz SCYKBBJBBXONNJ-DZGCQCFKSA-N 1 1 297.345 3.268 20 10 CGCDMO CC[C@H](CSC)[N@@H+](C)Cc1cc(C)ccc1O ZINC000290372013 522268982 /nfs/dbraw/zinc/26/89/82/522268982.db2.gz HLXCSVRDGMYORQ-CYBMUJFWSA-N 1 1 253.411 3.274 20 10 CGCDMO CCc1nnc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)s1 ZINC000290184777 522748490 /nfs/dbraw/zinc/74/84/90/522748490.db2.gz NWRLWNXKXZQBRT-LLVKDONJSA-N 1 1 291.420 3.274 20 10 CGCDMO COc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000062744803 524089631 /nfs/dbraw/zinc/08/96/31/524089631.db2.gz FDCDHIJDRJDZRF-LLVKDONJSA-N 1 1 275.323 3.391 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCC1(F)F ZINC000291489174 524611097 /nfs/dbraw/zinc/61/10/97/524611097.db2.gz GJSUIDFXPKRNKU-VIFPVBQESA-N 1 1 259.271 3.008 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2cccc(F)c2O)CCC1(F)F ZINC000291564672 525005369 /nfs/dbraw/zinc/00/53/69/525005369.db2.gz NIHQPZHRMSTTOP-SECBINFHSA-N 1 1 259.271 3.008 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CCC1(F)F ZINC000291564672 525005375 /nfs/dbraw/zinc/00/53/75/525005375.db2.gz NIHQPZHRMSTTOP-SECBINFHSA-N 1 1 259.271 3.008 20 10 CGCDMO Cc1ccc([C@@H](C)NCC[N@H+](C)C2CCCC2)c(O)c1 ZINC000071376785 525724426 /nfs/dbraw/zinc/72/44/26/525724426.db2.gz NHMRGRAKBGGUDT-CQSZACIVSA-N 1 1 276.424 3.226 20 10 CGCDMO Cc1ccc([C@@H](C)NCC[N@@H+](C)C2CCCC2)c(O)c1 ZINC000071376785 525724436 /nfs/dbraw/zinc/72/44/36/525724436.db2.gz NHMRGRAKBGGUDT-CQSZACIVSA-N 1 1 276.424 3.226 20 10 CGCDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1c(O)cccc1Cl ZINC000290540263 525825736 /nfs/dbraw/zinc/82/57/36/525825736.db2.gz RGLGWBRKJACPNU-HNNXBMFYSA-N 1 1 283.799 3.173 20 10 CGCDMO Cc1cnn([C@H]2CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)c1 ZINC000293518119 526268912 /nfs/dbraw/zinc/26/89/12/526268912.db2.gz IKWISQHKMMHKDA-KRWDZBQOSA-N 1 1 298.434 3.013 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000291664345 526328587 /nfs/dbraw/zinc/32/85/87/526328587.db2.gz VPSCSPAHDZVVMJ-HNNXBMFYSA-N 1 1 261.340 3.296 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000291664345 526328591 /nfs/dbraw/zinc/32/85/91/526328591.db2.gz VPSCSPAHDZVVMJ-HNNXBMFYSA-N 1 1 261.340 3.296 20 10 CGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000728562187 571811951 /nfs/dbraw/zinc/81/19/51/571811951.db2.gz HTRUTFFLPSCHES-MRXNPFEDSA-N 1 1 268.360 3.315 20 10 CGCDMO COc1ccc(N2CCC[N@@H+](C[Si](C)(C)C)CC2)cc1 ZINC000731211716 572401889 /nfs/dbraw/zinc/40/18/89/572401889.db2.gz XBUQLCKKLRNEAM-UHFFFAOYSA-N 1 1 292.499 3.085 20 10 CGCDMO Cc1occc1C[NH2+]Cc1cccc(Br)c1O ZINC000725848668 572440887 /nfs/dbraw/zinc/44/08/87/572440887.db2.gz BLQAEFDEWADUON-UHFFFAOYSA-N 1 1 296.164 3.346 20 10 CGCDMO CC[C@@H](C)C[N@@H+](C)Cc1c(O)ccc2ccncc21 ZINC000732184087 572451890 /nfs/dbraw/zinc/45/18/90/572451890.db2.gz QOWLJCOGUXMXML-GFCCVEGCSA-N 1 1 258.365 3.418 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+](C)Cc2cnc(C)cn2)cc1 ZINC000750283430 573107843 /nfs/dbraw/zinc/10/78/43/573107843.db2.gz YSLZQYIVNQBJDX-UHFFFAOYSA-N 1 1 298.434 3.263 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cnc(C)cn2)cc1 ZINC000750283430 573107848 /nfs/dbraw/zinc/10/78/48/573107848.db2.gz YSLZQYIVNQBJDX-UHFFFAOYSA-N 1 1 298.434 3.263 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@@H]2CCCOC2)cc1 ZINC000750791324 573179379 /nfs/dbraw/zinc/17/93/79/573179379.db2.gz NUMOFKWTWJJDEE-QGZVFWFLSA-N 1 1 276.424 3.144 20 10 CGCDMO C[N@@H+](CCOCC1CC1)Cc1cc2c(cc1O)CCCC2 ZINC000160388392 618034214 /nfs/dbraw/zinc/03/42/14/618034214.db2.gz CYZJHXONRWXPSF-UHFFFAOYSA-N 1 1 289.419 3.129 20 10 CGCDMO COc1cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c(O)cc1C ZINC000160367761 618024751 /nfs/dbraw/zinc/02/47/51/618024751.db2.gz RMFMGOUZKAMYDM-OKILXGFUSA-N 1 1 275.392 3.331 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)C[C@@H]2CCOC2)cc1C(C)C ZINC000176090238 618331159 /nfs/dbraw/zinc/33/11/59/618331159.db2.gz UOPKSTJKJLNXPW-AWEZNQCLSA-N 1 1 277.408 3.292 20 10 CGCDMO CC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000134984500 618739112 /nfs/dbraw/zinc/73/91/12/618739112.db2.gz BMAVMNBCBZTCGL-LLVKDONJSA-N 1 1 281.783 3.480 20 10 CGCDMO CCCN1CCC([NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000035628924 618997137 /nfs/dbraw/zinc/99/71/37/618997137.db2.gz SPVSGBWFVVJAOP-CQSZACIVSA-N 1 1 276.424 3.226 20 10 CGCDMO CC[N@H+](Cc1cc(Cl)cc(C)c1O)C[C@@H]1CCOC1 ZINC000775653677 619084111 /nfs/dbraw/zinc/08/41/11/619084111.db2.gz MJPATWRRHUXLEL-LBPRGKRZSA-N 1 1 283.799 3.212 20 10 CGCDMO Cc1cccc(C[N@H+](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000840916724 619132362 /nfs/dbraw/zinc/13/23/62/619132362.db2.gz DUYVFQBHARUXNK-UHFFFAOYSA-N 1 1 283.419 3.396 20 10 CGCDMO Cc1cnc(CC[N@H+](C)Cc2cc(Cl)ccc2O)s1 ZINC000093807217 619217855 /nfs/dbraw/zinc/21/78/55/619217855.db2.gz PVWYJGYVCAJMMJ-UHFFFAOYSA-N 1 1 296.823 3.485 20 10 CGCDMO COc1cc(C[N@@H+](C)Cc2ccccc2)c(O)cc1C ZINC000159458968 619272732 /nfs/dbraw/zinc/27/27/32/619272732.db2.gz MTMSLIWQAQTXKI-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO Cc1cc(Cl)cc(C[NH2+][C@H](C)c2csnn2)c1O ZINC000840970829 619297232 /nfs/dbraw/zinc/29/72/32/619297232.db2.gz XFDRYIFWFZTRLD-MRVPVSSYSA-N 1 1 283.784 3.056 20 10 CGCDMO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000893910250 619331042 /nfs/dbraw/zinc/33/10/42/619331042.db2.gz ZGAUOBYQPREBIX-OAHLLOKOSA-N 1 1 292.329 3.346 20 10 CGCDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000893910250 619331046 /nfs/dbraw/zinc/33/10/46/619331046.db2.gz ZGAUOBYQPREBIX-OAHLLOKOSA-N 1 1 292.329 3.346 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1cccc2c1NCCC2 ZINC000893961402 619337561 /nfs/dbraw/zinc/33/75/61/619337561.db2.gz GFKXVCNAOGIQIY-UHFFFAOYSA-N 1 1 282.387 3.382 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+](C)[C@H]2CCCc3c2cnn3C)c1 ZINC000164540039 619713945 /nfs/dbraw/zinc/71/39/45/619713945.db2.gz ZNYYLVQFOAFTOP-INIZCTEOSA-N 1 1 299.418 3.252 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895844426 619893291 /nfs/dbraw/zinc/89/32/91/619893291.db2.gz FOTGYTBAMMZKMT-BONVTDFDSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895844426 619893293 /nfs/dbraw/zinc/89/32/93/619893293.db2.gz FOTGYTBAMMZKMT-BONVTDFDSA-N 1 1 299.773 3.186 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895845687 619893930 /nfs/dbraw/zinc/89/39/30/619893930.db2.gz HWNISKVQDZUGFF-SMDDNHRTSA-N 1 1 281.783 3.047 20 10 CGCDMO Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1c(O)cccc1F ZINC000896640507 620041447 /nfs/dbraw/zinc/04/14/47/620041447.db2.gz RCMDDGNMYSTNLP-UHFFFAOYSA-N 1 1 291.370 3.215 20 10 CGCDMO Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c(O)c1 ZINC000896792755 620063847 /nfs/dbraw/zinc/06/38/47/620063847.db2.gz OHYCGFFISQUYHX-ROUUACIJSA-N 1 1 294.398 3.164 20 10 CGCDMO COC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1ccc(C)o1 ZINC000185630312 625399504 /nfs/dbraw/zinc/39/95/04/625399504.db2.gz HTXXKEHXHOIZLN-BXUZGUMPSA-N 1 1 293.338 3.471 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000897267752 620175103 /nfs/dbraw/zinc/17/51/03/620175103.db2.gz OYFQNGLPAQQTHA-HNNXBMFYSA-N 1 1 275.392 3.031 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](CC)C2)c1 ZINC000768846328 625550906 /nfs/dbraw/zinc/55/09/06/625550906.db2.gz MHYJWFXLUXIFOS-ZDUSSCGKSA-N 1 1 263.381 3.413 20 10 CGCDMO COc1cc(C)cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1O ZINC000164465193 622836066 /nfs/dbraw/zinc/83/60/66/622836066.db2.gz BPZOMJMJJOVCAW-OKILXGFUSA-N 1 1 275.392 3.331 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCCCS1)c1ccc(F)cc1O ZINC000157987282 622990310 /nfs/dbraw/zinc/99/03/10/622990310.db2.gz QUMPBTJRGPITEU-CMPLNLGQSA-N 1 1 269.385 3.468 20 10 CGCDMO Cc1csc(C[NH2+]Cc2ccc3c(c2)CCCO3)n1 ZINC000921521027 625627039 /nfs/dbraw/zinc/62/70/39/625627039.db2.gz UXYMWMBNZDAPET-UHFFFAOYSA-N 1 1 274.389 3.066 20 10 CGCDMO C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1O)N1CCCCC1 ZINC000062747843 623267301 /nfs/dbraw/zinc/26/73/01/623267301.db2.gz MXURJLWNADMNKE-CHWSQXEVSA-N 1 1 280.387 3.056 20 10 CGCDMO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1O ZINC000062748401 623267836 /nfs/dbraw/zinc/26/78/36/623267836.db2.gz UNUKREHVLGJAGC-JTQLQIEISA-N 1 1 290.294 3.290 20 10 CGCDMO C[C@H]([NH2+]Cc1ccsc1)c1ccc(F)cc1O ZINC000063152545 623303517 /nfs/dbraw/zinc/30/35/17/623303517.db2.gz KFPIXBZUFQBQOJ-VIFPVBQESA-N 1 1 251.326 3.444 20 10 CGCDMO CCN(CC)c1ccc(C[NH2+]Cc2cc(C)no2)cc1F ZINC000152185692 623629784 /nfs/dbraw/zinc/62/97/84/623629784.db2.gz OCJNLAKMXYYPFI-UHFFFAOYSA-N 1 1 291.370 3.258 20 10 CGCDMO CCC[N@H+](Cc1ccc(N2CCOCC2)cc1)CC1CC1 ZINC000154692112 624345557 /nfs/dbraw/zinc/34/55/57/624345557.db2.gz UMTWXZYLWIHBNC-UHFFFAOYSA-N 1 1 288.435 3.145 20 10 CGCDMO C[C@H]([NH2+]C1Cc2ccccc2C1)c1ccc(F)cc1O ZINC000184005471 625191373 /nfs/dbraw/zinc/19/13/73/625191373.db2.gz YYEHLQYZPJBQNW-NSHDSACASA-N 1 1 271.335 3.349 20 10 CGCDMO Cc1cncc(C[NH2+][C@@H](C)c2ccc(F)cc2O)c1 ZINC000186191656 625748226 /nfs/dbraw/zinc/74/82/26/625748226.db2.gz PBRJZCGTGMSOGD-NSHDSACASA-N 1 1 260.312 3.086 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000922968759 626112078 /nfs/dbraw/zinc/11/20/78/626112078.db2.gz PQYUTRXDESUODW-ZDUSSCGKSA-N 1 1 297.345 3.252 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000922968758 626112392 /nfs/dbraw/zinc/11/23/92/626112392.db2.gz PQYUTRXDESUODW-CYBMUJFWSA-N 1 1 297.345 3.252 20 10 CGCDMO CC[C@@H]([NH2+][C@@H]1CCO[C@H]1CC)c1ccc(F)cc1O ZINC000840821964 626348750 /nfs/dbraw/zinc/34/87/50/626348750.db2.gz QGAHROUGJQQOTM-NFAWXSAZSA-N 1 1 267.344 3.140 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCC2(O)CCC2)cc1 ZINC000839459052 626354006 /nfs/dbraw/zinc/35/40/06/626354006.db2.gz FDBZYJAYPTZDJA-UHFFFAOYSA-N 1 1 290.451 3.270 20 10 CGCDMO CC[C@@]1(C)CC[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000754739651 626585897 /nfs/dbraw/zinc/58/58/97/626585897.db2.gz MCFKYTFLFWNOGX-INIZCTEOSA-N 1 1 263.381 3.331 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ccccn1 ZINC000756344205 626693822 /nfs/dbraw/zinc/69/38/22/626693822.db2.gz SEHNZCSTVSNIQN-VHSXEESVSA-N 1 1 278.302 3.477 20 10 CGCDMO C[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1cc(F)cc(F)c1O ZINC000756635878 626722812 /nfs/dbraw/zinc/72/28/12/626722812.db2.gz BIYZHCWOPMALBA-JMPLFQLZSA-N 1 1 299.361 3.262 20 10 CGCDMO C[C@@H]([NH2+]CCOC(C)(C)C)c1cc(F)cc(F)c1O ZINC000756816916 626734363 /nfs/dbraw/zinc/73/43/63/626734363.db2.gz CYANRXXWFDWBNJ-SECBINFHSA-N 1 1 273.323 3.136 20 10 CGCDMO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1Cc1ccccc1O ZINC000764678949 627218103 /nfs/dbraw/zinc/21/81/03/627218103.db2.gz PEVCMUQFKHVVIG-QGZVFWFLSA-N 1 1 296.414 3.493 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](CCC(=O)C2CC2)C2CC2)cc1 ZINC000767347801 627399759 /nfs/dbraw/zinc/39/97/59/627399759.db2.gz FEDBEGJYRDANTH-UHFFFAOYSA-N 1 1 286.419 3.086 20 10 CGCDMO CCCN(CCC)c1ccc(C[N@@H+](CC)CCO)cc1 ZINC000768141193 627462990 /nfs/dbraw/zinc/46/29/90/627462990.db2.gz RGFPIGLENXBSNI-UHFFFAOYSA-N 1 1 278.440 3.127 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2c(O)cccc2OC)cc1 ZINC000768161695 627464464 /nfs/dbraw/zinc/46/44/64/627464464.db2.gz WSQUYGXTZHWLED-UHFFFAOYSA-N 1 1 287.359 3.041 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000768263812 627471455 /nfs/dbraw/zinc/47/14/55/627471455.db2.gz WEIBIZJQAFJFDS-NSHDSACASA-N 1 1 261.321 3.187 20 10 CGCDMO CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCCOC1 ZINC000768532591 627484523 /nfs/dbraw/zinc/48/45/23/627484523.db2.gz BPSGCFRUSCDBCY-INIZCTEOSA-N 1 1 276.424 3.001 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2C2CC2)cc1F ZINC000769327427 627541993 /nfs/dbraw/zinc/54/19/93/627541993.db2.gz BGKWJDHBSQPKSO-HNNXBMFYSA-N 1 1 262.372 3.266 20 10 CGCDMO CCOc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c(O)c1 ZINC000769427091 627551173 /nfs/dbraw/zinc/55/11/73/627551173.db2.gz ZCKNUOFEEFAJEE-OKILXGFUSA-N 1 1 275.392 3.413 20 10 CGCDMO CC1=CC[N@H+](Cc2cccc(Br)c2O)CC1 ZINC000769445641 627552746 /nfs/dbraw/zinc/55/27/46/627552746.db2.gz JGOYUTLOQUTELZ-UHFFFAOYSA-N 1 1 282.181 3.307 20 10 CGCDMO CC1=CC[N@@H+](Cc2cccc(Br)c2O)CC1 ZINC000769445641 627552748 /nfs/dbraw/zinc/55/27/48/627552748.db2.gz JGOYUTLOQUTELZ-UHFFFAOYSA-N 1 1 282.181 3.307 20 10 CGCDMO CCOc1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2C)c(O)c1 ZINC000769445665 627552918 /nfs/dbraw/zinc/55/29/18/627552918.db2.gz JZBUSCIDFDXMFJ-OLZOCXBDSA-N 1 1 263.381 3.411 20 10 CGCDMO CC[C@]1(C)CCC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000769446307 627553054 /nfs/dbraw/zinc/55/30/54/627553054.db2.gz LOHWFIOJMFTJIS-MRXNPFEDSA-N 1 1 263.381 3.413 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000769498569 627560576 /nfs/dbraw/zinc/56/05/76/627560576.db2.gz LOGNGFWWHIAROE-CZUORRHYSA-N 1 1 293.432 3.261 20 10 CGCDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2cc(C)ccc2O)C1(C)C ZINC000769549500 627565472 /nfs/dbraw/zinc/56/54/72/627565472.db2.gz SBCFEANIFRFHCB-RDJZCZTQSA-N 1 1 277.408 3.336 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000770285296 627612114 /nfs/dbraw/zinc/61/21/14/627612114.db2.gz FPQDERKVJJMZTA-SMDDNHRTSA-N 1 1 281.783 3.047 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)CC12CCC2 ZINC000770671033 627635995 /nfs/dbraw/zinc/63/59/95/627635995.db2.gz WMBGPSCWTGMZHS-LBPRGKRZSA-N 1 1 289.375 3.133 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCCC3(CC3)C2)c(O)c1 ZINC000770678046 627636882 /nfs/dbraw/zinc/63/68/82/627636882.db2.gz XTSFNYDEGLNEOC-UHFFFAOYSA-N 1 1 261.365 3.167 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c(O)c1 ZINC000772597349 627804907 /nfs/dbraw/zinc/80/49/07/627804907.db2.gz DDHYPQRKULXNKS-MRXNPFEDSA-N 1 1 286.375 3.456 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccn(C)n1)c1ccc(N2CCCCC2)cc1 ZINC000773134772 627860891 /nfs/dbraw/zinc/86/08/91/627860891.db2.gz ZRIPMLOQXZMNEG-OAHLLOKOSA-N 1 1 298.434 3.261 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cc1 ZINC000773887222 627925177 /nfs/dbraw/zinc/92/51/77/627925177.db2.gz DZPRHWLNYVIPNJ-SOUVJXGZSA-N 1 1 276.424 3.140 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCOC1)c1cc(Cl)c(Cl)cc1O ZINC000774269220 627970762 /nfs/dbraw/zinc/97/07/62/627970762.db2.gz JVTBDXSYKCJWBZ-YUMQZZPRSA-N 1 1 276.163 3.139 20 10 CGCDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1cc(OC)c(C)cc1O ZINC000774621439 628009775 /nfs/dbraw/zinc/00/97/75/628009775.db2.gz QJHIFEYRLKLMHJ-RISCZKNCSA-N 1 1 263.381 3.330 20 10 CGCDMO CCCCC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774952265 628050406 /nfs/dbraw/zinc/05/04/06/628050406.db2.gz GIOGINQBHVRVOD-NSHDSACASA-N 1 1 296.367 3.367 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2cc(C)ccc2F)c1O ZINC000775168273 628068946 /nfs/dbraw/zinc/06/89/46/628068946.db2.gz PLAKVZIRKWNSLL-UHFFFAOYSA-N 1 1 289.350 3.480 20 10 CGCDMO CCN1CCC([N@@H+](C)Cc2cc(Cl)cc(C)c2O)CC1 ZINC000775647858 628119196 /nfs/dbraw/zinc/11/91/96/628119196.db2.gz FIXIZCLPKUFTKU-UHFFFAOYSA-N 1 1 296.842 3.270 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)c1 ZINC000775660699 628121287 /nfs/dbraw/zinc/12/12/87/628121287.db2.gz IIPURXXXKPEICA-KKNUOHPOSA-N 1 1 287.403 3.411 20 10 CGCDMO CC[C@]1(C)COCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000775980103 628154766 /nfs/dbraw/zinc/15/47/66/628154766.db2.gz CHEBGOZALUOSDO-OAHLLOKOSA-N 1 1 283.799 3.355 20 10 CGCDMO CC[C@]1(C)COCC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000775980103 628154772 /nfs/dbraw/zinc/15/47/72/628154772.db2.gz CHEBGOZALUOSDO-OAHLLOKOSA-N 1 1 283.799 3.355 20 10 CGCDMO CC[C@@]1(C)COCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000775980102 628155155 /nfs/dbraw/zinc/15/51/55/628155155.db2.gz CHEBGOZALUOSDO-HNNXBMFYSA-N 1 1 283.799 3.355 20 10 CGCDMO CC[C@@]1(C)COCC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000775980102 628155156 /nfs/dbraw/zinc/15/51/56/628155156.db2.gz CHEBGOZALUOSDO-HNNXBMFYSA-N 1 1 283.799 3.355 20 10 CGCDMO Cc1cccc(OCC[N@H+](C)Cc2cc(F)ccc2O)c1 ZINC000778995326 628381940 /nfs/dbraw/zinc/38/19/40/628381940.db2.gz UQIMXOZDVGBCNL-UHFFFAOYSA-N 1 1 289.350 3.351 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000779022794 628383353 /nfs/dbraw/zinc/38/33/53/628383353.db2.gz GVDLUWHYQVKPGK-INIZCTEOSA-N 1 1 271.335 3.348 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1F ZINC000779151493 628390973 /nfs/dbraw/zinc/39/09/73/628390973.db2.gz YVBSLWLOWFANCJ-BXKDBHETSA-N 1 1 257.736 3.226 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C[C@H]1F ZINC000779151493 628390976 /nfs/dbraw/zinc/39/09/76/628390976.db2.gz YVBSLWLOWFANCJ-BXKDBHETSA-N 1 1 257.736 3.226 20 10 CGCDMO C[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1F ZINC000779151516 628391034 /nfs/dbraw/zinc/39/10/34/628391034.db2.gz ZLKSRUSEQWRQDO-CABZTGNLSA-N 1 1 257.736 3.226 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C[C@@H]1F ZINC000779151516 628391038 /nfs/dbraw/zinc/39/10/38/628391038.db2.gz ZLKSRUSEQWRQDO-CABZTGNLSA-N 1 1 257.736 3.226 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](OCC3CC3)C2)cc1 ZINC000779188177 628393138 /nfs/dbraw/zinc/39/31/38/628393138.db2.gz HBNWWRLGRJXIQY-SFHVURJKSA-N 1 1 288.435 3.144 20 10 CGCDMO CCc1cc(N(C)Cc2ccc(N(C)C)cc2)nc(C)[nH+]1 ZINC000782133878 628617472 /nfs/dbraw/zinc/61/74/72/628617472.db2.gz XGIHFOASHLBFIL-UHFFFAOYSA-N 1 1 284.407 3.050 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)[C@@H](C)[C@H](C)O1 ZINC000783537716 628723360 /nfs/dbraw/zinc/72/33/60/628723360.db2.gz BZUZGKUUEIKAGT-RDBSUJKOSA-N 1 1 289.419 3.269 20 10 CGCDMO C[C@H]1COc2ccccc2C[N@H+]1Cc1ccccc1O ZINC000783596793 628730325 /nfs/dbraw/zinc/73/03/25/628730325.db2.gz IGQHEYYOKKRODX-ZDUSSCGKSA-N 1 1 269.344 3.175 20 10 CGCDMO CO[C@H](C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788754257 629078617 /nfs/dbraw/zinc/07/86/17/629078617.db2.gz AWBXVWYWRXUZFC-BDAKNGLRSA-N 1 1 277.286 3.097 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1)CCC2 ZINC000789510664 629141536 /nfs/dbraw/zinc/14/15/36/629141536.db2.gz BVZHEBBTPLWQNC-SJLPKXTDSA-N 1 1 287.403 3.024 20 10 CGCDMO CCn1ccc(C[N@@H+](C)Cc2cc(C)cc(OC)c2O)c1 ZINC000790452201 629211485 /nfs/dbraw/zinc/21/14/85/629211485.db2.gz VDXLDMLEKGAQIW-UHFFFAOYSA-N 1 1 288.391 3.163 20 10 CGCDMO CCn1ccc(C[N@@H+](C)Cc2cc(OC)c(C)cc2O)c1 ZINC000790448132 629211498 /nfs/dbraw/zinc/21/14/98/629211498.db2.gz ZWYDOUZIMZHEQD-UHFFFAOYSA-N 1 1 288.391 3.163 20 10 CGCDMO C[C@@H]1CCC[C@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790960548 629243545 /nfs/dbraw/zinc/24/35/45/629243545.db2.gz VTCGYQBQFROASU-LDYMZIIASA-N 1 1 257.736 3.463 20 10 CGCDMO COC1(C[N@@H+](C)Cc2ccccc2O)CCCCC1 ZINC000792166734 629344012 /nfs/dbraw/zinc/34/40/12/629344012.db2.gz GJGVBDBDMRHMOZ-UHFFFAOYSA-N 1 1 263.381 3.173 20 10 CGCDMO C[C@@H]1C[C@@H](C)[NH+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862350908 629345983 /nfs/dbraw/zinc/34/59/83/629345983.db2.gz IUXUXMVUNWWEKJ-NXEZZACHSA-N 1 1 254.324 3.014 20 10 CGCDMO CO[C@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)CC[C@@H]1C ZINC000792180389 629345964 /nfs/dbraw/zinc/34/59/64/629345964.db2.gz QZTPCWAXEPSXOM-ZANVPECISA-N 1 1 287.762 3.042 20 10 CGCDMO CO[C@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)CC[C@@H]1C ZINC000792180389 629345965 /nfs/dbraw/zinc/34/59/65/629345965.db2.gz QZTPCWAXEPSXOM-ZANVPECISA-N 1 1 287.762 3.042 20 10 CGCDMO C[C@@H]1CCSCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000792197193 629348534 /nfs/dbraw/zinc/34/85/34/629348534.db2.gz PMLDGUAHGSBBGN-GFCCVEGCSA-N 1 1 282.428 3.219 20 10 CGCDMO Oc1cc(F)c(Cl)cc1Cn1c[nH+]c2c1CCCC2 ZINC000862431013 629370294 /nfs/dbraw/zinc/37/02/94/629370294.db2.gz BENQVWXYJTXMOE-UHFFFAOYSA-N 1 1 280.730 3.308 20 10 CGCDMO C[C@@H]1CSCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000792720931 629377266 /nfs/dbraw/zinc/37/72/66/629377266.db2.gz VAECUSKGLSSQEN-ZDUSSCGKSA-N 1 1 291.460 3.456 20 10 CGCDMO CC(C)C1C[NH+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000793189909 629425948 /nfs/dbraw/zinc/42/59/48/629425948.db2.gz PQKOWGKSQSATAV-UHFFFAOYSA-N 1 1 257.736 3.273 20 10 CGCDMO Cc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1O ZINC000793230599 629433549 /nfs/dbraw/zinc/43/35/49/629433549.db2.gz GWKOFLHYQZRHTI-PWSUYJOCSA-N 1 1 273.298 3.473 20 10 CGCDMO Oc1cc2c(cc1C[N@@H+](CC1CC1)CC1CCC1)OCO2 ZINC000793388778 629452677 /nfs/dbraw/zinc/45/26/77/629452677.db2.gz ISSIIMUBJANCCG-UHFFFAOYSA-N 1 1 289.375 3.133 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1C ZINC000793743039 629500046 /nfs/dbraw/zinc/50/00/46/629500046.db2.gz NUPIMFBNWBEXIZ-KRWDZBQOSA-N 1 1 289.419 3.258 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1cccc(Cl)c1[O-] ZINC000863544810 629604129 /nfs/dbraw/zinc/60/41/29/629604129.db2.gz BQRJYRHBCVYKNF-WDMOLILDSA-N 1 1 282.815 3.227 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H](N3CCCC3)C[C@@H]2C)c1 ZINC000795705961 629710618 /nfs/dbraw/zinc/71/06/18/629710618.db2.gz JQVSRQRFADCZHS-RDJZCZTQSA-N 1 1 288.435 3.068 20 10 CGCDMO Cc1cc(C)c(O)c(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000795705961 629710621 /nfs/dbraw/zinc/71/06/21/629710621.db2.gz JQVSRQRFADCZHS-RDJZCZTQSA-N 1 1 288.435 3.068 20 10 CGCDMO CCc1cc(C[NH2+][C@@H](CC)c2ccc(F)cc2O)on1 ZINC000796781081 629832760 /nfs/dbraw/zinc/83/27/60/629832760.db2.gz UZFIDYDOKCZSAO-AWEZNQCLSA-N 1 1 278.327 3.323 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CC[C@H](c3ccccn3)C2)c1O ZINC000799159691 630151482 /nfs/dbraw/zinc/15/14/82/630151482.db2.gz KZJVDMBDWXVBNJ-AWEZNQCLSA-N 1 1 298.386 3.094 20 10 CGCDMO COCC1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CCC1 ZINC000800278949 630260392 /nfs/dbraw/zinc/26/03/92/630260392.db2.gz BOZKMLUAASNTIG-UHFFFAOYSA-N 1 1 287.762 3.091 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH+]1CC(C2CCOCC2)C1 ZINC000800531621 630292066 /nfs/dbraw/zinc/29/20/66/630292066.db2.gz HQWBUKGCLRHSNL-UHFFFAOYSA-N 1 1 299.773 3.043 20 10 CGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@H](C)c1nc(C)no1 ZINC000801596865 630346341 /nfs/dbraw/zinc/34/63/41/630346341.db2.gz RGMKFABLTTTYOV-GFCCVEGCSA-N 1 1 289.379 3.447 20 10 CGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@H](C)CCOC ZINC000801599201 630346840 /nfs/dbraw/zinc/34/68/40/630346840.db2.gz FGLUUEOPDKODJN-CQSZACIVSA-N 1 1 265.397 3.419 20 10 CGCDMO Cc1cc(O)c(C[NH2+][C@H]2CCCC2(F)F)cc1C ZINC000808431103 630643975 /nfs/dbraw/zinc/64/39/75/630643975.db2.gz DHPNZDFGWZCDQZ-ZDUSSCGKSA-N 1 1 255.308 3.286 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+](C)[C@@H](CO)CC(C)C)c1O ZINC000809767987 630804250 /nfs/dbraw/zinc/80/42/50/630804250.db2.gz ZNBMWMNXKKBTQL-CQSZACIVSA-N 1 1 285.815 3.193 20 10 CGCDMO CCc1nc(C)c(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)o1 ZINC000813888010 631477410 /nfs/dbraw/zinc/47/74/10/631477410.db2.gz ZOTDHNKEXOHNHO-MRVPVSSYSA-N 1 1 296.317 3.380 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)ccc1N(C)C ZINC000815061480 631708796 /nfs/dbraw/zinc/70/87/96/631708796.db2.gz WGGOFJMIYWINJS-WMZOPIPTSA-N 1 1 288.435 3.062 20 10 CGCDMO Cc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)ccc1N(C)C ZINC000815099581 631716872 /nfs/dbraw/zinc/71/68/72/631716872.db2.gz LBJCEAVJMSODIK-KKUMJFAQSA-N 1 1 276.424 3.059 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@](C)(OC)C2)cc1 ZINC000815103959 631717511 /nfs/dbraw/zinc/71/75/11/631717511.db2.gz WMPWIDLHLDOHHN-QGZVFWFLSA-N 1 1 276.424 3.144 20 10 CGCDMO Cc1cc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)ccc1N(C)C ZINC000815100816 631717541 /nfs/dbraw/zinc/71/75/41/631717541.db2.gz XNOFKKSRZFFIPH-JOQOYGCGSA-N 1 1 290.451 3.042 20 10 CGCDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815103351 631718007 /nfs/dbraw/zinc/71/80/07/631718007.db2.gz RYYQZPISOHFCCQ-SFHVURJKSA-N 1 1 290.451 3.188 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@@H](c3ccccn3)C2)ccc1N(C)C ZINC000815107952 631718603 /nfs/dbraw/zinc/71/86/03/631718603.db2.gz PQWCNHYWFMTZGO-QGZVFWFLSA-N 1 1 295.430 3.446 20 10 CGCDMO Cc1cc(C[N@H+](CC2CCC2)[C@@H](C)CO)ccc1N(C)C ZINC000815106571 631719024 /nfs/dbraw/zinc/71/90/24/631719024.db2.gz WFFODPIUZFUHKZ-HNNXBMFYSA-N 1 1 290.451 3.044 20 10 CGCDMO CO[C@@H](C)CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815573801 631797634 /nfs/dbraw/zinc/79/76/34/631797634.db2.gz UNYDXJXWNPNVLT-UWVGGRQHSA-N 1 1 291.313 3.487 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1cccc(C(F)(F)F)c1O ZINC000815604176 631804535 /nfs/dbraw/zinc/80/45/35/631804535.db2.gz GVNFFJVFASWKNE-BDAKNGLRSA-N 1 1 291.313 3.221 20 10 CGCDMO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815627845 631808780 /nfs/dbraw/zinc/80/87/80/631808780.db2.gz LDNLDKZTKWTVFZ-KXUCPTDWSA-N 1 1 291.313 3.485 20 10 CGCDMO COCC[N@H+](Cc1cc(Cl)c(F)cc1[O-])CC(C)C ZINC000816489753 631991212 /nfs/dbraw/zinc/99/12/12/631991212.db2.gz BMCGPFBCRYXBBK-UHFFFAOYSA-N 1 1 289.778 3.289 20 10 CGCDMO COCC[N@@H+](Cc1cc(Cl)c(F)cc1O)CC(C)C ZINC000816489753 631991217 /nfs/dbraw/zinc/99/12/17/631991217.db2.gz BMCGPFBCRYXBBK-UHFFFAOYSA-N 1 1 289.778 3.289 20 10 CGCDMO COCC[N@H+](Cc1cc(Cl)c(F)cc1O)CC(C)C ZINC000816489753 631991222 /nfs/dbraw/zinc/99/12/22/631991222.db2.gz BMCGPFBCRYXBBK-UHFFFAOYSA-N 1 1 289.778 3.289 20 10 CGCDMO CN(C)[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816501309 631996502 /nfs/dbraw/zinc/99/65/02/631996502.db2.gz FBMTVAJMLDMNLV-MRXNPFEDSA-N 1 1 284.403 3.071 20 10 CGCDMO C[NH+](C)[C@@H]1CCCN(Cc2ccc3ccccc3c2O)C1 ZINC000816501309 631996510 /nfs/dbraw/zinc/99/65/10/631996510.db2.gz FBMTVAJMLDMNLV-MRXNPFEDSA-N 1 1 284.403 3.071 20 10 CGCDMO Oc1c(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)ccc2ccccc21 ZINC000816516834 632002172 /nfs/dbraw/zinc/00/21/72/632002172.db2.gz SNPCDCLAZAKWPK-NVXWUHKLSA-N 1 1 297.398 3.404 20 10 CGCDMO C[N@H+](CCOCC1CC1)Cc1cc(Cl)c(F)cc1O ZINC000816517519 632002501 /nfs/dbraw/zinc/00/25/01/632002501.db2.gz SVGHEOLDFIYIRL-UHFFFAOYSA-N 1 1 287.762 3.043 20 10 CGCDMO C[N@@H+](CCOCC1CC1)Cc1cc(Cl)c(F)cc1O ZINC000816517519 632002509 /nfs/dbraw/zinc/00/25/09/632002509.db2.gz SVGHEOLDFIYIRL-UHFFFAOYSA-N 1 1 287.762 3.043 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000816529582 632004537 /nfs/dbraw/zinc/00/45/37/632004537.db2.gz YGGAMADOJPXJDD-OAHLLOKOSA-N 1 1 295.741 3.008 20 10 CGCDMO Oc1c(C[N@H+]2CCCSCC2)ccc2ccccc21 ZINC000816564748 632013422 /nfs/dbraw/zinc/01/34/22/632013422.db2.gz OUJWNKACRTVLSH-UHFFFAOYSA-N 1 1 273.401 3.484 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1cccnc1F ZINC000816595141 632020335 /nfs/dbraw/zinc/02/03/35/632020335.db2.gz BACBTHIUKVSVNS-UHFFFAOYSA-N 1 1 284.693 3.009 20 10 CGCDMO COc1cccc(C[N@H+]2CC(C)(C)[C@H]2C(C)C)c1O ZINC000816625122 632026735 /nfs/dbraw/zinc/02/67/35/632026735.db2.gz RZIAQFBAAWVDLK-OAHLLOKOSA-N 1 1 263.381 3.267 20 10 CGCDMO CC[C@H]([NH2+]CCCC1(O)CCC1)c1ccc(F)cc1O ZINC000817585740 632191925 /nfs/dbraw/zinc/19/19/25/632191925.db2.gz HNLXZTGTGFZRTC-AWEZNQCLSA-N 1 1 281.371 3.267 20 10 CGCDMO CN(C)c1ccc([C@@H](N)C[NH2+][C@@H]2CCCc3occc32)cc1 ZINC000817942236 632240529 /nfs/dbraw/zinc/24/05/29/632240529.db2.gz NEFMXYLMCZIPLU-DLBZAZTESA-N 1 1 299.418 3.013 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCCNC1)c1ccc(N2CCCCC2)cc1 ZINC000817942423 632240575 /nfs/dbraw/zinc/24/05/75/632240575.db2.gz YLLBIMJDVNFODR-WBVHZDCISA-N 1 1 287.451 3.080 20 10 CGCDMO CC[NH2+]CCCN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817943233 632242549 /nfs/dbraw/zinc/24/25/49/632242549.db2.gz LPSCUJNWXYTEIX-INIZCTEOSA-N 1 1 289.467 3.327 20 10 CGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)c1[O-] ZINC000817946876 632243699 /nfs/dbraw/zinc/24/36/99/632243699.db2.gz GVNLBLHKPWCPPS-QFWMXSHPSA-N 1 1 282.815 3.275 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H](N)c1ccccc1)c1ccc(F)cc1O ZINC000817955544 632250062 /nfs/dbraw/zinc/25/00/62/632250062.db2.gz YMDUPGNNKUQHRB-CVEARBPZSA-N 1 1 288.366 3.272 20 10 CGCDMO C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000817957289 632251910 /nfs/dbraw/zinc/25/19/10/632251910.db2.gz AGQKNNYCUYVHHG-ZUZCIYMTSA-N 1 1 298.377 3.229 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817961489 632257436 /nfs/dbraw/zinc/25/74/36/632257436.db2.gz ZUDNWFIPRMRCLY-HQJQHLMTSA-N 1 1 289.206 3.087 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817966341 632261128 /nfs/dbraw/zinc/26/11/28/632261128.db2.gz LSVKWLLCDGUNIA-ZBFHGGJFSA-N 1 1 296.842 3.476 20 10 CGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c1[O-] ZINC000817968209 632261916 /nfs/dbraw/zinc/26/19/16/632261916.db2.gz HKBWCYCPARRTRK-YPMHNXCESA-N 1 1 282.815 3.147 20 10 CGCDMO C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cc(Cl)ccc1[O-] ZINC000817980338 632270235 /nfs/dbraw/zinc/27/02/35/632270235.db2.gz KWLGRQDUGIQQOC-DGCLKSJQSA-N 1 1 282.815 3.228 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(Cl)ccc1[O-] ZINC000817985475 632274788 /nfs/dbraw/zinc/27/47/88/632274788.db2.gz KLULDKOPATXMAX-DGCLKSJQSA-N 1 1 294.826 3.371 20 10 CGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000818239073 632301247 /nfs/dbraw/zinc/30/12/47/632301247.db2.gz UJBBLHFMPYXWRU-PEGIJTEDSA-N 1 1 296.208 3.351 20 10 CGCDMO CS[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2O)C1 ZINC000866487717 633157315 /nfs/dbraw/zinc/15/73/15/633157315.db2.gz FZCFREBIVNRQHY-LSJOCFKGSA-N 1 1 255.358 3.076 20 10 CGCDMO CCO[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824473602 633249813 /nfs/dbraw/zinc/24/98/13/633249813.db2.gz CYSVNHLSQYAHMU-CYBMUJFWSA-N 1 1 283.799 3.355 20 10 CGCDMO CC[C@H]([NH2+]Cc1cc(Cl)cc(C)c1O)C(F)F ZINC000824508710 633251752 /nfs/dbraw/zinc/25/17/52/633251752.db2.gz GZBMZCSKLBOMRX-JTQLQIEISA-N 1 1 263.715 3.487 20 10 CGCDMO Cc1ccc(C[N@@H+](C)C2CCN(C(C)C)CC2)c(O)c1 ZINC000876561785 634857701 /nfs/dbraw/zinc/85/77/01/634857701.db2.gz SPBTVZMFRMYGNB-UHFFFAOYSA-N 1 1 276.424 3.005 20 10 CGCDMO Cc1ccc(C[N@H+](C)C2CCN(C(C)C)CC2)c(O)c1 ZINC000876561785 634857706 /nfs/dbraw/zinc/85/77/06/634857706.db2.gz SPBTVZMFRMYGNB-UHFFFAOYSA-N 1 1 276.424 3.005 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@](C)(COC)C2)cc1 ZINC000824576569 633260063 /nfs/dbraw/zinc/26/00/63/633260063.db2.gz PBKQYVHAJHACPM-SFHVURJKSA-N 1 1 290.451 3.391 20 10 CGCDMO CC[N@H+](Cc1cc(Cl)c(C)cc1O)C[C@H]1CCCO1 ZINC000824609990 633264359 /nfs/dbraw/zinc/26/43/59/633264359.db2.gz FTPPWESAEWVZPX-CYBMUJFWSA-N 1 1 283.799 3.355 20 10 CGCDMO Cc1cc(Br)cc(C[N@H+]2CC[C@@H]2C2CC2)c1O ZINC000824650367 633268929 /nfs/dbraw/zinc/26/89/29/633268929.db2.gz MPZCDRGHYDSQFC-CYBMUJFWSA-N 1 1 296.208 3.447 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](OC)[C@H](C)C2)cc1 ZINC000824815470 633295302 /nfs/dbraw/zinc/29/53/02/633295302.db2.gz QBCITQLOAXXCAA-CRAIPNDOSA-N 1 1 290.451 3.390 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)cc1Cl ZINC000824829679 633297115 /nfs/dbraw/zinc/29/71/15/633297115.db2.gz KGXODJPYXQMXAU-DGCLKSJQSA-N 1 1 283.799 3.089 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]2C(C)(C)O)cc1Cl ZINC000825501502 633358304 /nfs/dbraw/zinc/35/83/04/633358304.db2.gz QMHJLVWQCONYNI-AWEZNQCLSA-N 1 1 283.799 3.089 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000827377135 633486696 /nfs/dbraw/zinc/48/66/96/633486696.db2.gz QIIRNKIGZBRFTL-RDJZCZTQSA-N 1 1 275.392 3.173 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000827376794 633487341 /nfs/dbraw/zinc/48/73/41/633487341.db2.gz HVKJFTZVQFDJDA-DYVFJYSZSA-N 1 1 293.382 3.312 20 10 CGCDMO CCC[N@@H+](CCO)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000827410994 633488833 /nfs/dbraw/zinc/48/88/33/633488833.db2.gz DQERTAOQNRXMKV-UHFFFAOYSA-N 1 1 290.451 3.190 20 10 CGCDMO Oc1c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)ccc2ccccc21 ZINC000827506775 633495340 /nfs/dbraw/zinc/49/53/40/633495340.db2.gz LTLFNSPSDOTGLQ-UKRRQHHQSA-N 1 1 253.345 3.387 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H](O)CCC ZINC000829515781 633746185 /nfs/dbraw/zinc/74/61/85/633746185.db2.gz IMEZDTXJVJDJBA-HNNXBMFYSA-N 1 1 265.397 3.155 20 10 CGCDMO Cc1cc(O)c(CN2CC[NH+](C3CC3)CC2)cc1C(C)C ZINC000129094148 636148310 /nfs/dbraw/zinc/14/83/10/636148310.db2.gz QCDQCGYJUJGJEM-UHFFFAOYSA-N 1 1 288.435 3.104 20 10 CGCDMO C[N@H+](CCN[C@@H]1CCc2cccc(O)c21)C1CCCCC1 ZINC000834534492 634177164 /nfs/dbraw/zinc/17/71/64/634177164.db2.gz QTQRNLGPOAUQHO-MRXNPFEDSA-N 1 1 288.435 3.234 20 10 CGCDMO C[N@@H+](CCN[C@@H]1CCc2cccc(O)c21)C1CCCCC1 ZINC000834534492 634177169 /nfs/dbraw/zinc/17/71/69/634177169.db2.gz QTQRNLGPOAUQHO-MRXNPFEDSA-N 1 1 288.435 3.234 20 10 CGCDMO C[C@@H]([NH2+]CCC(C)(F)F)c1cc(F)cc(F)c1O ZINC000834818672 634246499 /nfs/dbraw/zinc/24/64/99/634246499.db2.gz NQZAVWIMQJSSSN-SSDOTTSWSA-N 1 1 265.250 3.366 20 10 CGCDMO C[C@@H](NCC[N@@H+]1CCCC1(C)C)c1cc(F)ccc1O ZINC000834912008 634285045 /nfs/dbraw/zinc/28/50/45/634285045.db2.gz VGMBZHOLRQLKCP-GFCCVEGCSA-N 1 1 280.387 3.056 20 10 CGCDMO C[C@@H](NCC[N@H+]1CCCC1(C)C)c1cc(F)ccc1O ZINC000834912008 634285053 /nfs/dbraw/zinc/28/50/53/634285053.db2.gz VGMBZHOLRQLKCP-GFCCVEGCSA-N 1 1 280.387 3.056 20 10 CGCDMO C[C@H](NCC[N@@H+]1CCCC1(C)C)c1cc(F)ccc1O ZINC000834912011 634285158 /nfs/dbraw/zinc/28/51/58/634285158.db2.gz VGMBZHOLRQLKCP-LBPRGKRZSA-N 1 1 280.387 3.056 20 10 CGCDMO C[C@H](NCC[N@H+]1CCCC1(C)C)c1cc(F)ccc1O ZINC000834912011 634285162 /nfs/dbraw/zinc/28/51/62/634285162.db2.gz VGMBZHOLRQLKCP-LBPRGKRZSA-N 1 1 280.387 3.056 20 10 CGCDMO CCOC[C@H]1CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835030017 634325316 /nfs/dbraw/zinc/32/53/16/634325316.db2.gz YTZVTYHALZMAFX-OSJSJHBBSA-N 1 1 288.435 3.124 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H]2C(C)(C)O)cc1 ZINC000835048213 634334058 /nfs/dbraw/zinc/33/40/58/634334058.db2.gz NUGVKHCNGVWUIQ-WVRJYTFGSA-N 1 1 288.435 3.001 20 10 CGCDMO COC[C@]1(C)CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835053956 634337730 /nfs/dbraw/zinc/33/77/30/634337730.db2.gz GFJKGJXWXULCMR-OOFWQKGWSA-N 1 1 288.435 3.124 20 10 CGCDMO CO[C@@H]1CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000835053797 634338243 /nfs/dbraw/zinc/33/82/43/634338243.db2.gz YLHBRDDUBJKVHJ-RBVSRTDUSA-N 1 1 288.435 3.265 20 10 CGCDMO Cc1ccc(C[NH2+][C@H]2COc3cc(F)cc(F)c32)c(O)c1 ZINC000877315685 635024873 /nfs/dbraw/zinc/02/48/73/635024873.db2.gz POITXIMTEWGLIS-ZDUSSCGKSA-N 1 1 291.297 3.202 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)c1csnn1)c1ccc(C)cc1O ZINC000840885303 635074699 /nfs/dbraw/zinc/07/46/99/635074699.db2.gz BKAZZOSAZSICCL-CMPLNLGQSA-N 1 1 277.393 3.354 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)CCc2ccncc2)c(Cl)c1 ZINC000840938340 635085768 /nfs/dbraw/zinc/08/57/68/635085768.db2.gz BXCGUWTZYKPTLU-UHFFFAOYSA-N 1 1 290.794 3.424 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000840943514 635089930 /nfs/dbraw/zinc/08/99/30/635089930.db2.gz TVUAYOOLLDJGLX-QZTJIDSGSA-N 1 1 288.435 3.204 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000840949406 635091352 /nfs/dbraw/zinc/09/13/52/635091352.db2.gz VMFWLPJURRHNSV-GOSISDBHSA-N 1 1 290.451 3.308 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c(O)c1 ZINC000877604203 635107835 /nfs/dbraw/zinc/10/78/35/635107835.db2.gz JIQFOFXYPAWLJN-OAHLLOKOSA-N 1 1 268.360 3.085 20 10 CGCDMO CN(C)c1ccc(/C=C\CNC[C@H]([NH3+])c2ccccc2)cc1 ZINC000841035425 635111423 /nfs/dbraw/zinc/11/14/23/635111423.db2.gz GXGUMGIXXULZDE-RURPWVQCSA-N 1 1 295.430 3.055 20 10 CGCDMO Cc1cccc(O)c1CN[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000877630503 635121657 /nfs/dbraw/zinc/12/16/57/635121657.db2.gz KCKJQSAJGQNSHU-OAHLLOKOSA-N 1 1 288.435 3.197 20 10 CGCDMO Cc1cccc(O)c1CN[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000877630503 635121659 /nfs/dbraw/zinc/12/16/59/635121659.db2.gz KCKJQSAJGQNSHU-OAHLLOKOSA-N 1 1 288.435 3.197 20 10 CGCDMO CCOc1cccc(C[N@H+]2Cc3cccc(O)c3C2)c1 ZINC000877703742 635156020 /nfs/dbraw/zinc/15/60/20/635156020.db2.gz SAUIIEZYHQERLE-UHFFFAOYSA-N 1 1 269.344 3.307 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)c1O ZINC000877740506 635175440 /nfs/dbraw/zinc/17/54/40/635175440.db2.gz VUHCHMPTISFJQB-GJZGRUSLSA-N 1 1 277.433 3.140 20 10 CGCDMO C[C@H]([NH2+]CC(C)(C)N(C)C)c1ccc(Cl)cc1O ZINC000841743945 635221931 /nfs/dbraw/zinc/22/19/31/635221931.db2.gz LETGFILUVSWZQH-JTQLQIEISA-N 1 1 270.804 3.036 20 10 CGCDMO COCC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841746794 635223766 /nfs/dbraw/zinc/22/37/66/635223766.db2.gz LGVSODUFQCQZOZ-ZJUUUORDSA-N 1 1 257.761 3.121 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc(Cl)cc1O ZINC000841753469 635227073 /nfs/dbraw/zinc/22/70/73/635227073.db2.gz UIIKIFDYRSUSPC-MISXGVKJSA-N 1 1 283.799 3.247 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c(O)cc1C ZINC000842629641 635420992 /nfs/dbraw/zinc/42/09/92/635420992.db2.gz WRWCRVQJEDIQFQ-OAHLLOKOSA-N 1 1 298.386 3.094 20 10 CGCDMO C[C@@H]1SCC[C@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000842778564 635469620 /nfs/dbraw/zinc/46/96/20/635469620.db2.gz GYYVCTHWJNRVAX-OIBJUYFYSA-N 1 1 275.776 3.168 20 10 CGCDMO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2O)[C@@H]1SC ZINC000842924422 635513717 /nfs/dbraw/zinc/51/37/17/635513717.db2.gz QAXJHNFGFYKEEA-FFFUXKDYSA-N 1 1 299.411 3.091 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1ccc(F)cc1O ZINC000842930270 635514203 /nfs/dbraw/zinc/51/42/03/635514203.db2.gz TVZKOAKKOPGULP-ICCXJUOJSA-N 1 1 269.385 3.466 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1ccc(F)cc1O ZINC000842930276 635514821 /nfs/dbraw/zinc/51/48/21/635514821.db2.gz TVZKOAKKOPGULP-JIMOISOXSA-N 1 1 269.385 3.466 20 10 CGCDMO Cc1cc(O)c(C[N@H+](CCN)CCc2ccccc2)cc1C ZINC000843122723 635559889 /nfs/dbraw/zinc/55/98/89/635559889.db2.gz TWWJIHKDKYSKEC-UHFFFAOYSA-N 1 1 298.430 3.012 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](CCN)CCc2ccccc2)cc1C ZINC000843122723 635559895 /nfs/dbraw/zinc/55/98/95/635559895.db2.gz TWWJIHKDKYSKEC-UHFFFAOYSA-N 1 1 298.430 3.012 20 10 CGCDMO CC[C@H]([NH2+]Cc1cscn1)c1ccc(N(C)C)cc1 ZINC000127344376 635630650 /nfs/dbraw/zinc/63/06/50/635630650.db2.gz OVDDVCUWSFHHNN-HNNXBMFYSA-N 1 1 275.421 3.450 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1O ZINC000843416006 635663314 /nfs/dbraw/zinc/66/33/14/635663314.db2.gz FZHAFJWBEAWIGZ-CVEARBPZSA-N 1 1 275.392 3.092 20 10 CGCDMO COCC1(CC[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000843419603 635664909 /nfs/dbraw/zinc/66/49/09/635664909.db2.gz ZZLIZTAUFZTFRP-UHFFFAOYSA-N 1 1 287.762 3.091 20 10 CGCDMO Cc1cc(C[N@@H+]2CCC[C@@H]2c2ncccn2)ccc1N(C)C ZINC000878977370 635670351 /nfs/dbraw/zinc/67/03/51/635670351.db2.gz LAOVSLFILQLVLF-QGZVFWFLSA-N 1 1 296.418 3.188 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@@H]2c2ncccn2)ccc1N(C)C ZINC000878977370 635670355 /nfs/dbraw/zinc/67/03/55/635670355.db2.gz LAOVSLFILQLVLF-QGZVFWFLSA-N 1 1 296.418 3.188 20 10 CGCDMO CCC[N@@H+](Cc1cc2n(n1)CCCC2)Cc1ccccc1O ZINC000844299343 635862885 /nfs/dbraw/zinc/86/28/85/635862885.db2.gz BOILLPKQMGTKSM-UHFFFAOYSA-N 1 1 299.418 3.337 20 10 CGCDMO COCc1ccccc1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000882882252 636445830 /nfs/dbraw/zinc/44/58/30/636445830.db2.gz ASYDJUXHBYWJDQ-UHFFFAOYSA-N 1 1 293.313 3.107 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000883108998 636542544 /nfs/dbraw/zinc/54/25/44/636542544.db2.gz AXOQALLCGAHPEB-MRVPVSSYSA-N 1 1 277.261 3.195 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000883112339 636543957 /nfs/dbraw/zinc/54/39/57/636543957.db2.gz JJXIWVJCMURASS-AWEZNQCLSA-N 1 1 297.345 3.109 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCCC[C@@H]1F ZINC000883194166 636576863 /nfs/dbraw/zinc/57/68/63/636576863.db2.gz PIPVMCUYOBEPLI-CMPLNLGQSA-N 1 1 259.271 3.041 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(Cl)ccc1[O-] ZINC000848557184 636603956 /nfs/dbraw/zinc/60/39/56/636603956.db2.gz GFKDGMBEROUIHU-OSAQELSMSA-N 1 1 296.842 3.427 20 10 CGCDMO CCCCN1CCC([NH2+]Cc2cccc(CC)c2O)CC1 ZINC000848895479 636678515 /nfs/dbraw/zinc/67/85/15/636678515.db2.gz UCYWSGOOCMWSLY-UHFFFAOYSA-N 1 1 290.451 3.309 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c1O ZINC000848902978 636682945 /nfs/dbraw/zinc/68/29/45/636682945.db2.gz VZVHZQUHYVAECV-INIZCTEOSA-N 1 1 296.414 3.414 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c1O ZINC000848908724 636685170 /nfs/dbraw/zinc/68/51/70/636685170.db2.gz BTJLCJSDESAAAZ-OAHLLOKOSA-N 1 1 282.387 3.339 20 10 CGCDMO CCc1cccc(C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)c1O ZINC000848907609 636685247 /nfs/dbraw/zinc/68/52/47/636685247.db2.gz GAVFNMQXGGHMKN-CZUORRHYSA-N 1 1 277.408 3.080 20 10 CGCDMO CCc1cccc(C[N@H+]2CCCCC[C@H]2CCO)c1O ZINC000848908856 636685295 /nfs/dbraw/zinc/68/52/95/636685295.db2.gz FSIUDGSQVLMWFE-INIZCTEOSA-N 1 1 277.408 3.082 20 10 CGCDMO CCC[N@@H+](Cc1cc(OCC)ccc1O)C(C)C ZINC000848923279 636694120 /nfs/dbraw/zinc/69/41/20/636694120.db2.gz HXKIJDVFGLAVJM-UHFFFAOYSA-N 1 1 251.370 3.411 20 10 CGCDMO CCOc1cccc(C[N@@H+]2Cc3ccc(OC)cc3C2)c1O ZINC000848925994 636699014 /nfs/dbraw/zinc/69/90/14/636699014.db2.gz OWPJKKANGGUHDP-UHFFFAOYSA-N 1 1 299.370 3.315 20 10 CGCDMO CCOc1cccc(C[N@H+]2Cc3ccc(OC)cc3C2)c1O ZINC000848925994 636699019 /nfs/dbraw/zinc/69/90/19/636699019.db2.gz OWPJKKANGGUHDP-UHFFFAOYSA-N 1 1 299.370 3.315 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCc3ccsc3C2)c1O ZINC000132568040 636820586 /nfs/dbraw/zinc/82/05/86/636820586.db2.gz SVZXDVNYRLUOFB-UHFFFAOYSA-N 1 1 289.400 3.329 20 10 CGCDMO CC[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C1CC1 ZINC000850381320 637040706 /nfs/dbraw/zinc/04/07/06/637040706.db2.gz AWYPRGMGJGVQPN-NSHDSACASA-N 1 1 257.736 3.463 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000884482711 637040887 /nfs/dbraw/zinc/04/08/87/637040887.db2.gz GSJCFEXGQLQWOP-ZBFHGGJFSA-N 1 1 275.392 3.010 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000850392849 637045460 /nfs/dbraw/zinc/04/54/60/637045460.db2.gz NBXGITADVBBDQI-BWPRHRIFSA-N 1 1 255.720 3.073 20 10 CGCDMO CC[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(F)cc1O ZINC000850482626 637085769 /nfs/dbraw/zinc/08/57/69/637085769.db2.gz QFKOEFGGSNHSLN-WCQYABFASA-N 1 1 267.344 3.140 20 10 CGCDMO Cc1noc(C)c1CC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886524604 637553759 /nfs/dbraw/zinc/55/37/59/637553759.db2.gz NJKHMUBIGOBLSS-JTQLQIEISA-N 1 1 278.327 3.029 20 10 CGCDMO C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)c1c(O)cccc1F ZINC000886534519 637560462 /nfs/dbraw/zinc/56/04/62/637560462.db2.gz KAQJQUOFGALSDK-LLVKDONJSA-N 1 1 297.370 3.304 20 10 CGCDMO CC(C)C[C@H](CCO)C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886534853 637560675 /nfs/dbraw/zinc/56/06/75/637560675.db2.gz QBYQIOYSJHCVFZ-STQMWFEESA-N 1 1 283.387 3.227 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCCSC1)c1c(O)cccc1F ZINC000886537194 637561282 /nfs/dbraw/zinc/56/12/82/637561282.db2.gz VUMDJIJPOFKPPN-UWVGGRQHSA-N 1 1 255.358 3.078 20 10 CGCDMO C[C@H]([NH2+]CC1(CCO)CCCC1)c1c(O)cccc1F ZINC000886535315 637562317 /nfs/dbraw/zinc/56/23/17/637562317.db2.gz YGUORUWOUCLQFY-LBPRGKRZSA-N 1 1 281.371 3.125 20 10 CGCDMO Cc1noc(C)c1CCC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886539295 637563019 /nfs/dbraw/zinc/56/30/19/637563019.db2.gz XOIBJSODAVBZTD-NSHDSACASA-N 1 1 292.354 3.420 20 10 CGCDMO C[C@H]([NH2+]Cc1ccccc1N(C)C)c1c(O)cccc1F ZINC000886547961 637574659 /nfs/dbraw/zinc/57/46/59/637574659.db2.gz VBTIPNUKDIXOIS-LBPRGKRZSA-N 1 1 288.366 3.448 20 10 CGCDMO Cc1ncc(CC[NH2+][C@H](C)c2c(O)cccc2F)s1 ZINC000886553862 637577330 /nfs/dbraw/zinc/57/73/30/637577330.db2.gz WWIBERXHJMRBEF-SECBINFHSA-N 1 1 280.368 3.190 20 10 CGCDMO CCSCCC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886606842 637601407 /nfs/dbraw/zinc/60/14/07/637601407.db2.gz HGAOQVTUNMVGTC-SNVBAGLBSA-N 1 1 257.374 3.325 20 10 CGCDMO Cc1ccncc1C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886620095 637612348 /nfs/dbraw/zinc/61/23/48/637612348.db2.gz BQMPRDRIAONERQ-LLVKDONJSA-N 1 1 260.312 3.086 20 10 CGCDMO CCn1cc([C@@H](C)[NH2+][C@H](C)c2c(O)cccc2F)cn1 ZINC000886621872 637612562 /nfs/dbraw/zinc/61/25/62/637612562.db2.gz DULSIIOYWVLIFE-GHMZBOCLSA-N 1 1 277.343 3.160 20 10 CGCDMO C[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1c(O)cccc1F ZINC000886646329 637626164 /nfs/dbraw/zinc/62/61/64/637626164.db2.gz FVXAEIDRMBERFY-PPHDSNJXSA-N 1 1 293.382 3.387 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(C)c(C)cc2O)C[C@H](C)O1 ZINC000111167225 637783472 /nfs/dbraw/zinc/78/34/72/637783472.db2.gz VORMVXCREQSOSP-DZGCQCFKSA-N 1 1 263.381 3.008 20 10 CGCDMO Cc1cc(CO)cc(N[C@@H](C)c2ccc(N(C)C)cc2)[nH+]1 ZINC000853484408 637853029 /nfs/dbraw/zinc/85/30/29/637853029.db2.gz IOFQSWRDMBDFKT-ZDUSSCGKSA-N 1 1 285.391 3.121 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)C[NH2+]C)c1ccc(Cl)c(Cl)c1[O-] ZINC000854233106 638029923 /nfs/dbraw/zinc/02/99/23/638029923.db2.gz XQMZIOBCQVSBSJ-KCJUWKMLSA-N 1 1 291.222 3.348 20 10 CGCDMO Cc1cc(C[NH2+]Cc2cn(C)cn2)c(C)n1-c1ccccc1 ZINC000858294444 638674105 /nfs/dbraw/zinc/67/41/05/638674105.db2.gz ZOSGLHNOKGKIIZ-UHFFFAOYSA-N 1 1 294.402 3.117 20 10 CGCDMO CCc1ncc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC000929294038 638916585 /nfs/dbraw/zinc/91/65/85/638916585.db2.gz BZDSNFNKWAGWPZ-UHFFFAOYSA-N 1 1 299.418 3.468 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H]2CCCO2)cc1 ZINC000159828063 640071807 /nfs/dbraw/zinc/07/18/07/640071807.db2.gz SKBZRQKCTOYMQG-QGZVFWFLSA-N 1 1 276.424 3.144 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)CC1(O)CCCCC1 ZINC000076073959 640173684 /nfs/dbraw/zinc/17/36/84/640173684.db2.gz UROPNAUEFGTUIX-UHFFFAOYSA-N 1 1 277.408 3.299 20 10 CGCDMO Cc1ncc(C[N@H+](C)Cc2cc(C)c(C)cc2O)s1 ZINC000193424156 640456425 /nfs/dbraw/zinc/45/64/25/640456425.db2.gz PCQGCHUGJSRKAO-UHFFFAOYSA-N 1 1 276.405 3.406 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c1O ZINC000245755027 640635989 /nfs/dbraw/zinc/63/59/89/640635989.db2.gz OVADWWSZWBYGRF-OLZOCXBDSA-N 1 1 263.381 3.187 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@H](C)[C@H]2C)cc1C(C)C ZINC000246863482 640697461 /nfs/dbraw/zinc/69/74/61/640697461.db2.gz DCHJTBQPIAWPSZ-ZIAGYGMSSA-N 1 1 277.408 3.433 20 10 CGCDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000091964323 640728207 /nfs/dbraw/zinc/72/82/07/640728207.db2.gz GRVLPDXDZXQVSR-CQSZACIVSA-N 1 1 283.799 3.293 20 10 CGCDMO CC[C@H](C)C[N@@H+](CC)Cc1ccc(N2CCOCC2)cc1 ZINC000093844930 640782719 /nfs/dbraw/zinc/78/27/19/640782719.db2.gz FEGOMAFORXRBEN-INIZCTEOSA-N 1 1 290.451 3.391 20 10 CGCDMO Cc1nc(C[NH2+][C@H](C)c2cc(F)ccc2O)cs1 ZINC000094617838 640800530 /nfs/dbraw/zinc/80/05/30/640800530.db2.gz HMJXIFXIEXUQHN-MRVPVSSYSA-N 1 1 266.341 3.147 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCSC1 ZINC001255292295 806598064 /nfs/dbraw/zinc/59/80/64/806598064.db2.gz GDUVGTWGJZGGEJ-OAHLLOKOSA-N 1 1 264.438 3.080 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000163369272 799082595 /nfs/dbraw/zinc/08/25/95/799082595.db2.gz LWICZXJQHKBDEI-GOSISDBHSA-N 1 1 289.467 3.059 20 10 CGCDMO CN(C)c1ccc(CN(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000163369272 799082621 /nfs/dbraw/zinc/08/26/21/799082621.db2.gz LWICZXJQHKBDEI-GOSISDBHSA-N 1 1 289.467 3.059 20 10 CGCDMO CN(C)c1ccc(CN(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000163369272 799082628 /nfs/dbraw/zinc/08/26/28/799082628.db2.gz LWICZXJQHKBDEI-GOSISDBHSA-N 1 1 289.467 3.059 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000385468760 799426084 /nfs/dbraw/zinc/42/60/84/799426084.db2.gz FMOKXLHCGOYHDQ-VIFPVBQESA-N 1 1 279.689 3.430 20 10 CGCDMO CC[C@@]1(C)COCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000687973790 799742668 /nfs/dbraw/zinc/74/26/68/799742668.db2.gz MUPCHFOVNJKDIX-AWEZNQCLSA-N 1 1 269.772 3.047 20 10 CGCDMO CC[C@@]1(C)COCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000687973790 799742673 /nfs/dbraw/zinc/74/26/73/799742673.db2.gz MUPCHFOVNJKDIX-AWEZNQCLSA-N 1 1 269.772 3.047 20 10 CGCDMO C[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccc(F)cc1O ZINC000701933962 799899916 /nfs/dbraw/zinc/89/99/16/799899916.db2.gz CMHRSZNKZWHOQA-DTWKUNHWSA-N 1 1 259.271 3.227 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000702771088 799912516 /nfs/dbraw/zinc/91/25/16/799912516.db2.gz XHURCIBFHZJLBF-UHFFFAOYSA-N 1 1 259.271 3.153 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CCCC(F)(F)CC1 ZINC000702771088 799912520 /nfs/dbraw/zinc/91/25/20/799912520.db2.gz XHURCIBFHZJLBF-UHFFFAOYSA-N 1 1 259.271 3.153 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC001256015071 806805566 /nfs/dbraw/zinc/80/55/66/806805566.db2.gz CHVPDQCWRZPQQC-AEFFLSMTSA-N 1 1 288.435 3.144 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1O)[C@@H]1CCCOC1 ZINC000724013654 800353523 /nfs/dbraw/zinc/35/35/23/800353523.db2.gz QZMONXRAJRZAQX-JMSVASOKSA-N 1 1 281.371 3.387 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@@H](C)Cc1ccccn1 ZINC001256420908 806892767 /nfs/dbraw/zinc/89/27/67/806892767.db2.gz GWTZAVZLBCOYCZ-AWEZNQCLSA-N 1 1 270.376 3.240 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C1CC2(CC2(F)F)C1 ZINC001118423254 802566380 /nfs/dbraw/zinc/56/63/80/802566380.db2.gz GSTZHLXXAHYZFH-UHFFFAOYSA-N 1 1 291.700 3.462 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)[C@@H]2CC[C@H](SC)C2)c1O ZINC001119496078 802672001 /nfs/dbraw/zinc/67/20/01/802672001.db2.gz HAAOZMBFZINISQ-KGLIPLIRSA-N 1 1 295.448 3.425 20 10 CGCDMO Nc1ccc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC001120370888 802742740 /nfs/dbraw/zinc/74/27/40/802742740.db2.gz IPFCUYFGVFVGRM-IBGZPJMESA-N 1 1 296.414 3.450 20 10 CGCDMO C[C@@]1([NH3+])CCC[N@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC001205280625 812928715 /nfs/dbraw/zinc/92/87/15/812928715.db2.gz DRWYYGQAGXMEHE-GOSISDBHSA-N 1 1 284.403 3.249 20 10 CGCDMO C[C@@]1([NH3+])CCC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC001205280625 812928721 /nfs/dbraw/zinc/92/87/21/812928721.db2.gz DRWYYGQAGXMEHE-GOSISDBHSA-N 1 1 284.403 3.249 20 10 CGCDMO Cc1cc(C[N@H+]2CCOC[C@H]2C)c(C)n1-c1ccccc1 ZINC001137854370 803785440 /nfs/dbraw/zinc/78/54/40/803785440.db2.gz SRUBWSWQDJYSQO-OAHLLOKOSA-N 1 1 284.403 3.315 20 10 CGCDMO Cc1cc(C[N@@H+]2CCOC[C@H]2C)c(C)n1-c1ccccc1 ZINC001137854370 803785443 /nfs/dbraw/zinc/78/54/43/803785443.db2.gz SRUBWSWQDJYSQO-OAHLLOKOSA-N 1 1 284.403 3.315 20 10 CGCDMO C[N@H+](CCc1cccc(F)c1)Cc1cccc(F)c1O ZINC001138129906 803865986 /nfs/dbraw/zinc/86/59/86/803865986.db2.gz YPIGVMSLJLJUHB-UHFFFAOYSA-N 1 1 277.314 3.345 20 10 CGCDMO C[N@@H+](CCc1cccc(F)c1)Cc1cccc(F)c1O ZINC001138129906 803865995 /nfs/dbraw/zinc/86/59/95/803865995.db2.gz YPIGVMSLJLJUHB-UHFFFAOYSA-N 1 1 277.314 3.345 20 10 CGCDMO CC(C)OC1C[NH+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138220394 803873645 /nfs/dbraw/zinc/87/36/45/803873645.db2.gz ASXZRQIVJJYKQF-UHFFFAOYSA-N 1 1 288.435 3.286 20 10 CGCDMO Cc1c(C[N@H+]2CCC[C@](C)(O)CC2)c2ccccc2n1C ZINC001138252432 803880476 /nfs/dbraw/zinc/88/04/76/803880476.db2.gz HGCZJTIMCURWSQ-SFHVURJKSA-N 1 1 286.419 3.224 20 10 CGCDMO Cc1c(C[N@@H+]2C[C@H](C)N(C)C[C@H]2C)c2ccccc2n1C ZINC001138254037 803881376 /nfs/dbraw/zinc/88/13/76/803881376.db2.gz OJNCCGDLJNWILI-UONOGXRCSA-N 1 1 285.435 3.011 20 10 CGCDMO Cc1c(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)c2ccccc2n1C ZINC001138254037 803881385 /nfs/dbraw/zinc/88/13/85/803881385.db2.gz OJNCCGDLJNWILI-UONOGXRCSA-N 1 1 285.435 3.011 20 10 CGCDMO Cc1c(CN2C[C@H](C)[N@H+](C)C[C@H]2C)c2ccccc2n1C ZINC001138254037 803881395 /nfs/dbraw/zinc/88/13/95/803881395.db2.gz OJNCCGDLJNWILI-UONOGXRCSA-N 1 1 285.435 3.011 20 10 CGCDMO Cc1c(C[N@H+]2CCC[C@@]23CCOC3)c2ccccc2n1C ZINC001138257969 803884291 /nfs/dbraw/zinc/88/42/91/803884291.db2.gz FUQCBBKDCXJMFI-SFHVURJKSA-N 1 1 284.403 3.242 20 10 CGCDMO CC[C@H]1COCC[N@H+]1Cc1c(C)n(C)c2ccccc21 ZINC001138258732 803884651 /nfs/dbraw/zinc/88/46/51/803884651.db2.gz ZUTQSVLTHAXJBE-AWEZNQCLSA-N 1 1 272.392 3.098 20 10 CGCDMO CCO[C@@H]1CC[N@@H+](Cc2c(C)n(C)c3ccccc32)C1 ZINC001138259575 803885342 /nfs/dbraw/zinc/88/53/42/803885342.db2.gz JPQYKQGTBQSNAR-CQSZACIVSA-N 1 1 272.392 3.098 20 10 CGCDMO CC[C@H]1CCC[N@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138358674 803902133 /nfs/dbraw/zinc/90/21/33/803902133.db2.gz XGANGWYMPXFKBY-INIZCTEOSA-N 1 1 258.409 3.443 20 10 CGCDMO CCOc1ccncc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001139632920 804239485 /nfs/dbraw/zinc/23/94/85/804239485.db2.gz WCQZKXACFLHBRY-UHFFFAOYSA-N 1 1 299.418 3.178 20 10 CGCDMO CCOc1ccncc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001139632920 804239489 /nfs/dbraw/zinc/23/94/89/804239489.db2.gz WCQZKXACFLHBRY-UHFFFAOYSA-N 1 1 299.418 3.178 20 10 CGCDMO Cc1cc(C[N@H+]2CCc3cccnc3C2)ccc1N(C)C ZINC001139674148 804247924 /nfs/dbraw/zinc/24/79/24/804247924.db2.gz RGLLZVRLWSNWPO-UHFFFAOYSA-N 1 1 281.403 3.014 20 10 CGCDMO Cc1cc(C[N@H+]2CCc3ccncc3C2)ccc1N(C)C ZINC001139672985 804248261 /nfs/dbraw/zinc/24/82/61/804248261.db2.gz MOGPMBOFOLLBFQ-UHFFFAOYSA-N 1 1 281.403 3.014 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@](C)(CF)C2)ccc1N(C)C ZINC001139670133 804248381 /nfs/dbraw/zinc/24/83/81/804248381.db2.gz XJVJFUTZUMOELF-MRXNPFEDSA-N 1 1 264.388 3.243 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001140055229 804362039 /nfs/dbraw/zinc/36/20/39/804362039.db2.gz OGLQNDYVPGUQGN-ZDUSSCGKSA-N 1 1 286.350 3.306 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)CCCC(=O)c2cccnc2)c1 ZINC001140620976 804476174 /nfs/dbraw/zinc/47/61/74/804476174.db2.gz JKXKPXRWMWPUDC-UHFFFAOYSA-N 1 1 298.386 3.191 20 10 CGCDMO COC(=O)CC[N@@H+](Cc1cc(C)ccc1O)C1CCCC1 ZINC001140621361 804476742 /nfs/dbraw/zinc/47/67/42/804476742.db2.gz ZBBAAOPJQKZYCH-UHFFFAOYSA-N 1 1 291.391 3.008 20 10 CGCDMO Cc1cccc2c1CC[N@@H+](Cc1ccc(O)c(C)c1O)C2 ZINC001140742146 804502478 /nfs/dbraw/zinc/50/24/78/804502478.db2.gz IJXBQMZWTPFDLE-UHFFFAOYSA-N 1 1 283.371 3.273 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)c1O ZINC001140742630 804503375 /nfs/dbraw/zinc/50/33/75/804503375.db2.gz SSKUYZCNBQFFEC-HNNXBMFYSA-N 1 1 283.371 3.396 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](C)C2)c(O)c1 ZINC001140850134 804533213 /nfs/dbraw/zinc/53/32/13/804533213.db2.gz DUAIKTXEODVRIB-ZDUSSCGKSA-N 1 1 262.397 3.080 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)c(Cl)c1 ZINC001140924691 804550235 /nfs/dbraw/zinc/55/02/35/804550235.db2.gz MMAHYAGAZNAMOT-CZUORRHYSA-N 1 1 294.826 3.017 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)c(O)c1 ZINC001140948688 804555722 /nfs/dbraw/zinc/55/57/22/804555722.db2.gz VSAHRZPKCDXNCT-GJZGRUSLSA-N 1 1 273.376 3.034 20 10 CGCDMO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c(O)c1 ZINC001140948133 804555776 /nfs/dbraw/zinc/55/57/76/804555776.db2.gz UXGHJHNZQFHGDH-BETUJISGSA-N 1 1 267.319 3.178 20 10 CGCDMO c1c(C[N@H+]2CCC3(CC3)C2)cc2c3c1CCCN3CCC2 ZINC001141075477 804585225 /nfs/dbraw/zinc/58/52/25/804585225.db2.gz RBUIGNWTYRKABW-UHFFFAOYSA-N 1 1 282.431 3.371 20 10 CGCDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141142830 804596391 /nfs/dbraw/zinc/59/63/91/804596391.db2.gz BYUPMMYIJMEKPQ-UONOGXRCSA-N 1 1 274.408 3.136 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)c1 ZINC001141159088 804599684 /nfs/dbraw/zinc/59/96/84/804599684.db2.gz YMQXEKMXRZQQKL-KRWDZBQOSA-N 1 1 299.370 3.141 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CCCC[C@@H]2CO)c1O ZINC001143101910 804801087 /nfs/dbraw/zinc/80/10/87/804801087.db2.gz OUHZPTUPINGHJJ-CQSZACIVSA-N 1 1 277.408 3.037 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CCC[C@@](C)(O)C2)c1O ZINC001143110611 804804284 /nfs/dbraw/zinc/80/42/84/804804284.db2.gz LGWXYQFJKZKTSO-QGZVFWFLSA-N 1 1 277.408 3.037 20 10 CGCDMO CC1(C)C[N@@H+](Cc2c(O)cc(O)cc2O)Cc2ccccc21 ZINC001144515033 804998024 /nfs/dbraw/zinc/99/80/24/804998024.db2.gz CBGCHUFHDCTPKZ-UHFFFAOYSA-N 1 1 299.370 3.097 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)C1C[C@H](C)O[C@@H](C)C1 ZINC001257099135 807051196 /nfs/dbraw/zinc/05/11/96/807051196.db2.gz MOIXSDKIPDDIPI-STQMWFEESA-N 1 1 263.381 3.170 20 10 CGCDMO CCC[C@@H](CC)[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001257266580 807081709 /nfs/dbraw/zinc/08/17/09/807081709.db2.gz PGLIALMTHFBECH-CQSZACIVSA-N 1 1 263.381 3.425 20 10 CGCDMO C[C@H](Cc1cccnc1)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001258634204 807519873 /nfs/dbraw/zinc/51/98/73/807519873.db2.gz PHBBBUYBVWMNDI-OAHLLOKOSA-N 1 1 283.419 3.211 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)[C@H]2Cc3cccc(F)c3C2)cc1 ZINC001171809287 808146139 /nfs/dbraw/zinc/14/61/39/808146139.db2.gz IVVYQRTXTBRBTM-KRWDZBQOSA-N 1 1 298.405 3.491 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@H](C)CCCCC(=O)OC ZINC001173459853 808641231 /nfs/dbraw/zinc/64/12/31/808641231.db2.gz GAOAHKOIDXOGOJ-CQSZACIVSA-N 1 1 293.407 3.336 20 10 CGCDMO Oc1cc(F)cc(F)c1Nc1cc[nH+]c2ccccc12 ZINC001174038227 808835575 /nfs/dbraw/zinc/83/55/75/808835575.db2.gz KKBLIMLOJMKYLK-UHFFFAOYSA-N 1 1 272.254 3.384 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCCOC1CCCCC1 ZINC001177142327 809783562 /nfs/dbraw/zinc/78/35/62/809783562.db2.gz FZWNYXGRRZLZMA-UHFFFAOYSA-N 1 1 299.361 3.499 20 10 CGCDMO C[N@H+](Cc1cc(F)cc(F)c1O)CC1(O)CCCCCC1 ZINC001181057203 810034110 /nfs/dbraw/zinc/03/41/10/810034110.db2.gz YJWGHJTWMCEJRX-UHFFFAOYSA-N 1 1 299.361 3.188 20 10 CGCDMO C[N@@H+](Cc1cc(F)cc(F)c1O)CC1(O)CCCCCC1 ZINC001181057203 810034112 /nfs/dbraw/zinc/03/41/12/810034112.db2.gz YJWGHJTWMCEJRX-UHFFFAOYSA-N 1 1 299.361 3.188 20 10 CGCDMO C[C@H]([NH2+]Cc1c(F)ccc(O)c1F)c1ccccc1O ZINC001183362318 810146913 /nfs/dbraw/zinc/14/69/13/810146913.db2.gz AQDPCVOIIXRASU-VIFPVBQESA-N 1 1 279.286 3.227 20 10 CGCDMO CCc1cc(C[N@H+](CC)Cc2ccc(N(C)C)cc2)on1 ZINC001203227453 812273799 /nfs/dbraw/zinc/27/37/99/812273799.db2.gz DSTQQVKAEKHZOY-UHFFFAOYSA-N 1 1 287.407 3.325 20 10 CGCDMO COc1cccc(C[N@@H+](Cc2ccco2)C2CC2)c1O ZINC001203599503 812405634 /nfs/dbraw/zinc/40/56/34/812405634.db2.gz GSWQBHUFRLWNHR-UHFFFAOYSA-N 1 1 273.332 3.158 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c1O ZINC001203603955 812405769 /nfs/dbraw/zinc/40/57/69/812405769.db2.gz XUPQGHNVTOGWHN-UONOGXRCSA-N 1 1 275.392 3.413 20 10 CGCDMO COc1ccc(C[N@H+]2CCc3c(C)cccc3C2)c(O)c1 ZINC001203621528 812409692 /nfs/dbraw/zinc/40/96/92/812409692.db2.gz WVUQGOJBLKLNKW-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2cccc(C)c2)c(O)c1 ZINC001203620825 812409721 /nfs/dbraw/zinc/40/97/21/812409721.db2.gz JGPYOAIGRJEXOK-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO C[N@H+]1CCN(Cc2cc(Cl)ccc2O)C2(CCCC2)C1 ZINC001203665526 812422908 /nfs/dbraw/zinc/42/29/08/812422908.db2.gz NUVJHDWVYVMQAT-UHFFFAOYSA-N 1 1 294.826 3.106 20 10 CGCDMO C[N@@H+](CCc1ccc(Cl)cc1)Cc1ccc(O)c(O)c1 ZINC001203880891 812479603 /nfs/dbraw/zinc/47/96/03/812479603.db2.gz CCTINHQIVXKHHT-UHFFFAOYSA-N 1 1 291.778 3.426 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@H](F)C2)cc1 ZINC001203929469 812494207 /nfs/dbraw/zinc/49/42/07/812494207.db2.gz DIDSNTAPBBDTFD-AWEZNQCLSA-N 1 1 250.361 3.077 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)cc1 ZINC001203931187 812495084 /nfs/dbraw/zinc/49/50/84/812495084.db2.gz OBNXMZMOWGTRKY-HZPDHXFCSA-N 1 1 258.409 3.375 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2CC[C@H](N(C)C)C2)c2ccccc21 ZINC001204232907 812580636 /nfs/dbraw/zinc/58/06/36/812580636.db2.gz LPLORFMOADSIID-INIZCTEOSA-N 1 1 297.446 3.042 20 10 CGCDMO CN(C)c1ccc(CN2CC[C@H]([NH+](C)C)C2)c2ccccc21 ZINC001204232907 812580641 /nfs/dbraw/zinc/58/06/41/812580641.db2.gz LPLORFMOADSIID-INIZCTEOSA-N 1 1 297.446 3.042 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@]23CCOC3)c2ccccc21 ZINC001204240534 812583608 /nfs/dbraw/zinc/58/36/08/812583608.db2.gz XAFLICMHOZBFOR-LJQANCHMSA-N 1 1 296.414 3.271 20 10 CGCDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(O)cc2O)cc1 ZINC001204275642 812593710 /nfs/dbraw/zinc/59/37/10/812593710.db2.gz XNGWBNNMSQKLNG-QGZVFWFLSA-N 1 1 299.370 3.444 20 10 CGCDMO CC[N@@H+](Cc1cccc(F)c1)Cc1ccc(O)cc1O ZINC001204281165 812596456 /nfs/dbraw/zinc/59/64/56/812596456.db2.gz RUOAVWDBJPORKD-UHFFFAOYSA-N 1 1 275.323 3.259 20 10 CGCDMO CC(C)c1ccc(O)c(C[NH+]2CCN(C3CCC3)CC2)c1 ZINC001204790922 812737794 /nfs/dbraw/zinc/73/77/94/812737794.db2.gz QBPUYZVTUFRUNS-UHFFFAOYSA-N 1 1 288.435 3.186 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1ccc3[nH]ccc3c1)CC2 ZINC001205606539 813022601 /nfs/dbraw/zinc/02/26/01/813022601.db2.gz XFUMFZGUIYWNEJ-UHFFFAOYSA-N 1 1 278.355 3.432 20 10 CGCDMO Cc1cc([O-])c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1Cl ZINC001205637736 813035484 /nfs/dbraw/zinc/03/54/84/813035484.db2.gz IIFZHFUUNDRVQE-YPMHNXCESA-N 1 1 296.842 3.161 20 10 CGCDMO Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1Cl ZINC001205637736 813035493 /nfs/dbraw/zinc/03/54/93/813035493.db2.gz IIFZHFUUNDRVQE-YPMHNXCESA-N 1 1 296.842 3.161 20 10 CGCDMO C[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])CC[C@H]1C[NH3+] ZINC001205638446 813037062 /nfs/dbraw/zinc/03/70/62/813037062.db2.gz NXJHVFKOZMBQMM-HOCLYGCPSA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])CC[C@H]1C[NH3+] ZINC001205638446 813037071 /nfs/dbraw/zinc/03/70/71/813037071.db2.gz NXJHVFKOZMBQMM-HOCLYGCPSA-N 1 1 298.430 3.352 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2CN)cc1 ZINC001205805849 813086655 /nfs/dbraw/zinc/08/66/55/813086655.db2.gz SEDSTXGNDWANIM-YJBOKZPZSA-N 1 1 289.467 3.092 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2CN)cc1 ZINC001205805849 813086663 /nfs/dbraw/zinc/08/66/63/813086663.db2.gz SEDSTXGNDWANIM-YJBOKZPZSA-N 1 1 289.467 3.092 20 10 CGCDMO CC(C)c1ccc(O)c(CN(C)C[C@H]2CCC[N@H+]2C)c1 ZINC001206350340 813299594 /nfs/dbraw/zinc/29/95/94/813299594.db2.gz HXTJETFXRILUEE-MRXNPFEDSA-N 1 1 276.424 3.042 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+](C)C[C@H]2CCCN2C)c1 ZINC001206350340 813299598 /nfs/dbraw/zinc/29/95/98/813299598.db2.gz HXTJETFXRILUEE-MRXNPFEDSA-N 1 1 276.424 3.042 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@@H+](C)C[C@H]2CCCN2C)c1 ZINC001206350340 813299603 /nfs/dbraw/zinc/29/96/03/813299603.db2.gz HXTJETFXRILUEE-MRXNPFEDSA-N 1 1 276.424 3.042 20 10 CGCDMO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ncccc1F ZINC001207034867 813469518 /nfs/dbraw/zinc/46/95/18/813469518.db2.gz FECLUXKWMLPINM-UHFFFAOYSA-N 1 1 287.382 3.309 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ncccc1F ZINC001207034867 813469519 /nfs/dbraw/zinc/46/95/19/813469519.db2.gz FECLUXKWMLPINM-UHFFFAOYSA-N 1 1 287.382 3.309 20 10 CGCDMO CC(C)[C@H]1CCC[C@@H]1[NH2+]Cc1c(O)cccc1F ZINC001207621334 813618280 /nfs/dbraw/zinc/61/82/80/813618280.db2.gz FMQXDOOKJQBMAO-RISCZKNCSA-N 1 1 251.345 3.446 20 10 CGCDMO CS[C@@H](C)CC[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001208150139 813709842 /nfs/dbraw/zinc/70/98/42/813709842.db2.gz PVNRTRFZSPDTLR-ZDUSSCGKSA-N 1 1 266.454 3.326 20 10 CGCDMO C[N@@H+]1CC=C(Nc2ccc(Cc3ccc(N)cc3)cc2)CC1 ZINC001208859709 813871808 /nfs/dbraw/zinc/87/18/08/813871808.db2.gz YBAKRBSTIJGCDJ-UHFFFAOYSA-N 1 1 293.414 3.491 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC3(COC3)C2)cc1 ZINC001209516790 814072015 /nfs/dbraw/zinc/07/20/15/814072015.db2.gz OOQHQSNTJZPDNS-UHFFFAOYSA-N 1 1 296.414 3.316 20 10 CGCDMO CN(C)c1ccc(OC2C[NH+](Cc3ccccc3)C2)cc1 ZINC001227940679 817760338 /nfs/dbraw/zinc/76/03/38/817760338.db2.gz NRQPDYNFPNPDRI-UHFFFAOYSA-N 1 1 282.387 3.016 20 10 CGCDMO CCOc1ccc(C[N@@H+](CC)Cc2ccccc2O)cn1 ZINC001231658397 818150681 /nfs/dbraw/zinc/15/06/81/818150681.db2.gz WEXBXKPBXFENAL-UHFFFAOYSA-N 1 1 286.375 3.208 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCC[C@](C)(F)C2)c(O)c1 ZINC001231841615 818186320 /nfs/dbraw/zinc/18/63/20/818186320.db2.gz CHCSRWNEYPYQJW-HNNXBMFYSA-N 1 1 251.345 3.333 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCc3cccc(O)c3C2)c(O)c1 ZINC001231847957 818187360 /nfs/dbraw/zinc/18/73/60/818187360.db2.gz GJPWCDJGRXHVIN-UHFFFAOYSA-N 1 1 283.371 3.273 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCC[C@@H]2c2ncccn2)c(O)c1 ZINC001231850174 818188708 /nfs/dbraw/zinc/18/87/08/818188708.db2.gz LFHHVWAJDDAROF-OAHLLOKOSA-N 1 1 283.375 3.136 20 10 CGCDMO COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc2ccccc2c1O ZINC001231879543 818200072 /nfs/dbraw/zinc/20/00/72/818200072.db2.gz HTKFQKLQUMLMKI-INIZCTEOSA-N 1 1 299.370 3.073 20 10 CGCDMO CN(C1CC1)[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231882214 818202253 /nfs/dbraw/zinc/20/22/53/818202253.db2.gz FWPFZYOMFYFAJF-KRWDZBQOSA-N 1 1 296.414 3.214 20 10 CGCDMO C[N@H+](C1CC1)[C@H]1CCN(Cc2ccc3ccccc3c2O)C1 ZINC001231882214 818202259 /nfs/dbraw/zinc/20/22/59/818202259.db2.gz FWPFZYOMFYFAJF-KRWDZBQOSA-N 1 1 296.414 3.214 20 10 CGCDMO C[N@@H+](C1CC1)[C@H]1CCN(Cc2ccc3ccccc3c2O)C1 ZINC001231882214 818202263 /nfs/dbraw/zinc/20/22/63/818202263.db2.gz FWPFZYOMFYFAJF-KRWDZBQOSA-N 1 1 296.414 3.214 20 10 CGCDMO C[N@H+](Cc1ccccc1O)Cc1ncccc1Cl ZINC001231960739 818217848 /nfs/dbraw/zinc/21/78/48/818217848.db2.gz SBHYDWHZWLJFKD-UHFFFAOYSA-N 1 1 262.740 3.073 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1ncccc1Cl ZINC001231960739 818217856 /nfs/dbraw/zinc/21/78/56/818217856.db2.gz SBHYDWHZWLJFKD-UHFFFAOYSA-N 1 1 262.740 3.073 20 10 CGCDMO Oc1cc(O)c(C[N@@H+]2CCc3sccc3C2)cc1Cl ZINC001232257336 818295351 /nfs/dbraw/zinc/29/53/51/818295351.db2.gz CGYXVSQIKSTRNK-UHFFFAOYSA-N 1 1 295.791 3.371 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CCc3sccc3C2)cc1Cl ZINC001232257336 818295355 /nfs/dbraw/zinc/29/53/55/818295355.db2.gz CGYXVSQIKSTRNK-UHFFFAOYSA-N 1 1 295.791 3.371 20 10 CGCDMO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)cc1Cl ZINC001232266386 818297685 /nfs/dbraw/zinc/29/76/85/818297685.db2.gz NAUIKRSIFGKCSM-BXKDBHETSA-N 1 1 287.762 3.234 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1cncc2cnccc21 ZINC001232653323 818411962 /nfs/dbraw/zinc/41/19/62/818411962.db2.gz WETRJNJBDKQPOH-UHFFFAOYSA-N 1 1 293.370 3.358 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)C2CCCCC2)c(O)c1 ZINC001232835228 818452458 /nfs/dbraw/zinc/45/24/58/818452458.db2.gz ZTOZMRSLNMTPEQ-UHFFFAOYSA-N 1 1 262.397 3.223 20 10 CGCDMO Oc1cc(C[N@H+]2CC=C(c3ccccc3)CC2)cc(O)c1O ZINC001233016812 818503282 /nfs/dbraw/zinc/50/32/82/818503282.db2.gz PGLLGJAFEXKGBR-UHFFFAOYSA-N 1 1 297.354 3.093 20 10 CGCDMO Oc1cc(C[N@@H+]2CC=C(c3ccccc3)CC2)cc(O)c1O ZINC001233016812 818503286 /nfs/dbraw/zinc/50/32/86/818503286.db2.gz PGLLGJAFEXKGBR-UHFFFAOYSA-N 1 1 297.354 3.093 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@H](CO)CC2)c1 ZINC001233284134 818566103 /nfs/dbraw/zinc/56/61/03/818566103.db2.gz JVWPYUZKFLVWAC-AWEZNQCLSA-N 1 1 291.435 3.284 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+](C)Cc2cncs2)c1O ZINC001233290653 818570281 /nfs/dbraw/zinc/57/02/81/818570281.db2.gz PDLIJGNVEUSBCA-UHFFFAOYSA-N 1 1 298.795 3.143 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+](C)Cc2cncs2)c1O ZINC001233290653 818570284 /nfs/dbraw/zinc/57/02/84/818570284.db2.gz PDLIJGNVEUSBCA-UHFFFAOYSA-N 1 1 298.795 3.143 20 10 CGCDMO C[C@H]1CCC[C@H](C)[NH+]1Cc1c(O)ccc(F)c1F ZINC001233331902 818583248 /nfs/dbraw/zinc/58/32/48/818583248.db2.gz PITSIUXWPBEPFQ-UWVGGRQHSA-N 1 1 255.308 3.433 20 10 CGCDMO C[N@H+](CCc1cccs1)Cc1c(O)ccc(F)c1F ZINC001233334374 818586245 /nfs/dbraw/zinc/58/62/45/818586245.db2.gz DEMLXFSBYTYFMN-UHFFFAOYSA-N 1 1 283.343 3.406 20 10 CGCDMO C[N@@H+](CCc1cccs1)Cc1c(O)ccc(F)c1F ZINC001233334374 818586249 /nfs/dbraw/zinc/58/62/49/818586249.db2.gz DEMLXFSBYTYFMN-UHFFFAOYSA-N 1 1 283.343 3.406 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233451402 818623572 /nfs/dbraw/zinc/62/35/72/818623572.db2.gz JFROAWAGMFTPOF-LBPRGKRZSA-N 1 1 289.297 3.022 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)[C@@H](C)CO1 ZINC001233455808 818624762 /nfs/dbraw/zinc/62/47/62/818624762.db2.gz ZOZPVBGUTPHAOK-VHSXEESVSA-N 1 1 289.297 3.020 20 10 CGCDMO OC[C@@H]1CCCC[N@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234992256 818970079 /nfs/dbraw/zinc/97/00/79/818970079.db2.gz OEQMNOCJNDWYIU-KRWDZBQOSA-N 1 1 297.398 3.406 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001234997308 818971939 /nfs/dbraw/zinc/97/19/39/818971939.db2.gz ASXUSUVAGNJWKT-GOSISDBHSA-N 1 1 288.435 3.091 20 10 CGCDMO Oc1c(C[N@H+]2C[C@H]3CC[C@@H]2CO3)cccc1-c1ccccc1 ZINC001235001198 818975209 /nfs/dbraw/zinc/97/52/09/818975209.db2.gz SURFDPBBLYOOFJ-IAGOWNOFSA-N 1 1 295.382 3.422 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2O)C[C@@H]1F ZINC001235674342 819134997 /nfs/dbraw/zinc/13/49/97/819134997.db2.gz FIBYMKYQNHTXSE-RISCZKNCSA-N 1 1 265.372 3.480 20 10 CGCDMO CC[N@@H+](CCN(C)C)Cc1ccc(C(C)(C)C)cc1O ZINC001235676071 819137491 /nfs/dbraw/zinc/13/74/91/819137491.db2.gz PNJMHSDCAFJEJB-UHFFFAOYSA-N 1 1 278.440 3.073 20 10 CGCDMO CCN(CC[NH+](C)C)Cc1ccc(C(C)(C)C)cc1O ZINC001235676071 819137492 /nfs/dbraw/zinc/13/74/92/819137492.db2.gz PNJMHSDCAFJEJB-UHFFFAOYSA-N 1 1 278.440 3.073 20 10 CGCDMO C[C@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2O)[C@@H](C)CN1 ZINC001236078375 819304168 /nfs/dbraw/zinc/30/41/68/819304168.db2.gz FWQHQLWOPPJQSK-GJZGRUSLSA-N 1 1 296.414 3.241 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2O)[C@@H](C)CN1 ZINC001236078375 819304174 /nfs/dbraw/zinc/30/41/74/819304174.db2.gz FWQHQLWOPPJQSK-GJZGRUSLSA-N 1 1 296.414 3.241 20 10 CGCDMO CCC[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCN1 ZINC001236179166 819357851 /nfs/dbraw/zinc/35/78/51/819357851.db2.gz SYUVYDXRNJWZOZ-INIZCTEOSA-N 1 1 284.403 3.119 20 10 CGCDMO CCC[C@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CCN1 ZINC001236179166 819357855 /nfs/dbraw/zinc/35/78/55/819357855.db2.gz SYUVYDXRNJWZOZ-INIZCTEOSA-N 1 1 284.403 3.119 20 10 CGCDMO CN(Cc1ccc(C(C)(C)C)cc1O)[C@H]1CCCC[C@H]1[NH3+] ZINC001236220290 819385806 /nfs/dbraw/zinc/38/58/06/819385806.db2.gz YXABMLBQQXPMJR-CVEARBPZSA-N 1 1 290.451 3.391 20 10 CGCDMO C[C@@H]1C[NH+](Cc2cccc(-c3ccccc3)c2O)C[C@@H](C)N1 ZINC001236577814 819541946 /nfs/dbraw/zinc/54/19/46/819541946.db2.gz ATSGFJXQGGBHJN-HUUCEWRRSA-N 1 1 296.414 3.241 20 10 CGCDMO CCc1ccc(C[N@H+]2CCc3cc(O)ccc3C2)c(O)c1 ZINC001236784836 819594883 /nfs/dbraw/zinc/59/48/83/819594883.db2.gz BNGWKQMDLVIZCN-UHFFFAOYSA-N 1 1 283.371 3.219 20 10 CGCDMO COc1cc(O)c(C[N@H+]2C[C@@H](C)C[C@H]2CF)c(Cl)c1 ZINC001236798873 819599436 /nfs/dbraw/zinc/59/94/36/819599436.db2.gz PWBCABFTXCFWLX-UWVGGRQHSA-N 1 1 287.762 3.234 20 10 CGCDMO COc1ccc(C[NH+]2CCC(C)(F)CC2)c(O)c1Cl ZINC001236802517 819599941 /nfs/dbraw/zinc/59/99/41/819599941.db2.gz RMTXBEFQHVNWSK-UHFFFAOYSA-N 1 1 287.762 3.378 20 10 CGCDMO CC(C)[NH+]1CCN(Cc2cc3ccccc3cc2O)CC1 ZINC001236835026 819615104 /nfs/dbraw/zinc/61/51/04/819615104.db2.gz DCDFTTRIPOQGMN-UHFFFAOYSA-N 1 1 284.403 3.071 20 10 CGCDMO COC(=O)CC[N@@H+](Cc1cc2ccccc2cc1O)C1CC1 ZINC001236837693 819616791 /nfs/dbraw/zinc/61/67/91/819616791.db2.gz TVJZVYVLMOQRAQ-UHFFFAOYSA-N 1 1 299.370 3.073 20 10 CGCDMO CC(C)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236926275 819637793 /nfs/dbraw/zinc/63/77/93/819637793.db2.gz DUILHOGOJHGVOA-UHFFFAOYSA-N 1 1 296.842 3.264 20 10 CGCDMO CC(C)c1ccc(C[N@H+](C)Cc2ccon2)c(O)c1 ZINC001237049725 819652416 /nfs/dbraw/zinc/65/24/16/819652416.db2.gz SAMMUHFINBAPOB-UHFFFAOYSA-N 1 1 260.337 3.136 20 10 CGCDMO CC(C)c1ccc(C[N@@H+](C)Cc2ccon2)c(O)c1 ZINC001237049725 819652421 /nfs/dbraw/zinc/65/24/21/819652421.db2.gz SAMMUHFINBAPOB-UHFFFAOYSA-N 1 1 260.337 3.136 20 10 CGCDMO Oc1ccc(Cl)c(Cl)c1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001237078350 819662776 /nfs/dbraw/zinc/66/27/76/819662776.db2.gz PWLGWFWFZXMSHD-OCAPTIKFSA-N 1 1 258.148 3.151 20 10 CGCDMO Oc1ccc(Cl)c(Cl)c1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001237078350 819662779 /nfs/dbraw/zinc/66/27/79/819662779.db2.gz PWLGWFWFZXMSHD-OCAPTIKFSA-N 1 1 258.148 3.151 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237118506 819671938 /nfs/dbraw/zinc/67/19/38/819671938.db2.gz XVOXUKHAQQGPAF-VIFPVBQESA-N 1 1 275.270 3.133 20 10 CGCDMO Oc1ccc(F)c(Cl)c1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC001237127562 819673153 /nfs/dbraw/zinc/67/31/53/819673153.db2.gz CTVPAGPNDQQSQX-HNNXBMFYSA-N 1 1 299.773 3.187 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2O)C[C@@H]1F ZINC001237137887 819675390 /nfs/dbraw/zinc/67/53/90/819675390.db2.gz QLZFVWZQCFARMG-KCJUWKMLSA-N 1 1 277.261 3.201 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2O)C[C@@H]1F ZINC001237137887 819675394 /nfs/dbraw/zinc/67/53/94/819675394.db2.gz QLZFVWZQCFARMG-KCJUWKMLSA-N 1 1 277.261 3.201 20 10 CGCDMO CC[N@@H+](Cc1cc(C(F)(F)F)ccc1O)C1CC1 ZINC001237135644 819675434 /nfs/dbraw/zinc/67/54/34/819675434.db2.gz KELRAEYSFYCQJZ-UHFFFAOYSA-N 1 1 259.271 3.395 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCNC3=CCCC[C@@H]32)c(O)c1 ZINC001237229367 819706304 /nfs/dbraw/zinc/70/63/04/819706304.db2.gz OQHZSTWDZVHKKN-KRWDZBQOSA-N 1 1 286.419 3.357 20 10 CGCDMO CC(C)c1ccc(CN2CC[NH2+]C3=CCCC[C@@H]32)c(O)c1 ZINC001237229367 819706308 /nfs/dbraw/zinc/70/63/08/819706308.db2.gz OQHZSTWDZVHKKN-KRWDZBQOSA-N 1 1 286.419 3.357 20 10 CGCDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1c(C)cccc1O ZINC001237494633 819763791 /nfs/dbraw/zinc/76/37/91/819763791.db2.gz JZTUYKGRIUFGNX-UHFFFAOYSA-N 1 1 299.370 3.451 20 10 CGCDMO CC(=O)c1ccc2c(c1)C[N@H+](Cc1c(C)cccc1O)CC2 ZINC001237491156 819764742 /nfs/dbraw/zinc/76/47/42/819764742.db2.gz HUGRNOAVHUKNER-UHFFFAOYSA-N 1 1 295.382 3.462 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+](C)C[C@H]1Cc2ccccc2O1 ZINC001237490283 819764903 /nfs/dbraw/zinc/76/49/03/819764903.db2.gz CZRVXKISMXJHHA-OAHLLOKOSA-N 1 1 283.371 3.136 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c1O ZINC001237686868 819805831 /nfs/dbraw/zinc/80/58/31/819805831.db2.gz QWQXQHJKHPVQRH-XYYAHUGASA-N 1 1 269.747 3.001 20 10 CGCDMO COC1(C)CC[NH+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237935201 819889555 /nfs/dbraw/zinc/88/95/55/819889555.db2.gz RFGKKMCOOWCEPX-UHFFFAOYSA-N 1 1 287.762 3.186 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CC[C@@](C)(CF)C2)c1O ZINC001238055704 819919060 /nfs/dbraw/zinc/91/90/60/819919060.db2.gz CCMFWOSCQSOIEU-AWEZNQCLSA-N 1 1 255.308 3.021 20 10 CGCDMO Cn1ccc2c1cc[nH+]c2-c1cnn([C@@H]2CCCCO2)c1 ZINC001240671221 821231773 /nfs/dbraw/zinc/23/17/73/821231773.db2.gz BHCNKZGLYXBXHZ-HNNXBMFYSA-N 1 1 282.347 3.136 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(-c2c[nH+]c(N)cc2C)cn1 ZINC001242085312 822342431 /nfs/dbraw/zinc/34/24/31/822342431.db2.gz QTKFYFHDJNGQNZ-UHFFFAOYSA-N 1 1 278.359 3.442 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1O ZINC001140178221 926714833 /nfs/dbraw/zinc/71/48/33/926714833.db2.gz CZPFQPNUCHGXGX-GDBMZVCRSA-N 1 1 275.392 3.010 20 10 CGCDMO CC(C)COC1C[NH+](Cc2cc(C(C)C)ccc2O)C1 ZINC001474394160 937205176 /nfs/dbraw/zinc/20/51/76/937205176.db2.gz GWWCTVXODVOQAN-UHFFFAOYSA-N 1 1 277.408 3.372 20 10 CGCDMO C[C@@H](c1ccncc1)[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001560745268 937237150 /nfs/dbraw/zinc/23/71/50/937237150.db2.gz IVYAYLUTDFJQDB-JTQLQIEISA-N 1 1 278.302 3.258 20 10 CGCDMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001560745268 937237152 /nfs/dbraw/zinc/23/71/52/937237152.db2.gz IVYAYLUTDFJQDB-JTQLQIEISA-N 1 1 278.302 3.258 20 10 CGCDMO CC[C@@](C)([NH2+]Cc1cc(F)c(F)cc1O)C1CC1 ZINC001308869444 928549520 /nfs/dbraw/zinc/54/95/20/928549520.db2.gz LSTJRWBSTHCPAT-CQSZACIVSA-N 1 1 255.308 3.339 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC001459800514 937501053 /nfs/dbraw/zinc/50/10/53/937501053.db2.gz SIVDOOFYQWTSJI-LSDHHAIUSA-N 1 1 280.362 3.230 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCOC[C@@H]2C2CCC2)cc1 ZINC001460291685 937525269 /nfs/dbraw/zinc/52/52/69/937525269.db2.gz LEAKSGSVIAQNRI-GOSISDBHSA-N 1 1 288.435 3.144 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)c1O ZINC001140178411 931956675 /nfs/dbraw/zinc/95/66/75/931956675.db2.gz KXTFECYRJBUELE-ZBFHGGJFSA-N 1 1 287.403 3.343 20 10 CGCDMO CCc1cccc(C[N@@H+](C)CCOc2ccccc2)c1O ZINC001461841631 937601261 /nfs/dbraw/zinc/60/12/61/937601261.db2.gz DMPQIHZPEYPPGC-UHFFFAOYSA-N 1 1 285.387 3.465 20 10 CGCDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001461858493 937602060 /nfs/dbraw/zinc/60/20/60/937602060.db2.gz GXGWPPZKTHVHCR-GHMZBOCLSA-N 1 1 268.351 3.261 20 10 CGCDMO CC(C)[N@H+](Cc1ccccn1)Cc1cc(F)c(F)cc1O ZINC001461931486 937607509 /nfs/dbraw/zinc/60/75/09/937607509.db2.gz AVFYIKQNWKYALO-UHFFFAOYSA-N 1 1 292.329 3.476 20 10 CGCDMO CC(C)[N@@H+](Cc1ccccn1)Cc1cc(F)c(F)cc1O ZINC001461931486 937607511 /nfs/dbraw/zinc/60/75/11/937607511.db2.gz AVFYIKQNWKYALO-UHFFFAOYSA-N 1 1 292.329 3.476 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)Cc1ncccc1F ZINC001461957714 937608906 /nfs/dbraw/zinc/60/89/06/937608906.db2.gz HJAGXUZTUVNVRQ-UHFFFAOYSA-N 1 1 274.339 3.339 20 10 CGCDMO CCC[C@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC001461963817 937609411 /nfs/dbraw/zinc/60/94/11/937609411.db2.gz WVAJAKNANPCBHH-YEODSOHDSA-N 1 1 288.435 3.267 20 10 CGCDMO CCC[C@H]1C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC001461963817 937609412 /nfs/dbraw/zinc/60/94/12/937609412.db2.gz WVAJAKNANPCBHH-YEODSOHDSA-N 1 1 288.435 3.267 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)C2)c1O ZINC000383665999 932740231 /nfs/dbraw/zinc/74/02/31/932740231.db2.gz RVXZDSNGFREYPR-NSHDSACASA-N 1 1 289.297 3.175 20 10 CGCDMO Cc1ccc(C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c(O)c1 ZINC001462333143 937633014 /nfs/dbraw/zinc/63/30/14/937633014.db2.gz OCNPFJIUEZKYEG-CYBMUJFWSA-N 1 1 293.407 3.110 20 10 CGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@H](CF)C2)cc1F ZINC001462535090 937648848 /nfs/dbraw/zinc/64/88/48/937648848.db2.gz HOALKQICBKGMCX-LLVKDONJSA-N 1 1 286.341 3.212 20 10 CGCDMO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]Cc1cc(F)c(F)cc1O ZINC001462575419 937651118 /nfs/dbraw/zinc/65/11/18/937651118.db2.gz CGCLWELCIAGTNI-LLHIFLOGSA-N 1 1 267.319 3.052 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCOC[C@@]2(C)C2CC2)cc1 ZINC001308140284 933056687 /nfs/dbraw/zinc/05/66/87/933056687.db2.gz IVRFDSTUCXZWHN-SFHVURJKSA-N 1 1 288.435 3.144 20 10 CGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@@H](C3CC3)C2)cc1F ZINC001308598398 933140145 /nfs/dbraw/zinc/14/01/45/933140145.db2.gz LCEDOKFMRCBXAF-GFCCVEGCSA-N 1 1 280.362 3.263 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cc1Cl ZINC001308730955 933165295 /nfs/dbraw/zinc/16/52/95/933165295.db2.gz DHUKUBCPFVMKJP-BZNIZROVSA-N 1 1 295.810 3.353 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cc1Cl ZINC001308730955 933165296 /nfs/dbraw/zinc/16/52/96/933165296.db2.gz DHUKUBCPFVMKJP-BZNIZROVSA-N 1 1 295.810 3.353 20 10 CGCDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(N(C)C)cc1C ZINC001308729283 933166357 /nfs/dbraw/zinc/16/63/57/933166357.db2.gz SRNFICCVIABELG-SFHVURJKSA-N 1 1 290.451 3.188 20 10 CGCDMO CCc1cccc(C[N@H+]2CCc3cc(O)ccc3C2)c1O ZINC001474758173 934186623 /nfs/dbraw/zinc/18/66/23/934186623.db2.gz YBICGYWRGCJDTJ-UHFFFAOYSA-N 1 1 283.371 3.219 20 10 CGCDMO CCN1CCC[C@H](C[NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC001325339887 934905877 /nfs/dbraw/zinc/90/58/77/934905877.db2.gz LOKVRBCEYZZETB-LSDHHAIUSA-N 1 1 276.424 3.083 20 10 CGCDMO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)C[C@H](CC)O1 ZINC001473565955 937811540 /nfs/dbraw/zinc/81/15/40/937811540.db2.gz VWKKRUUUGKQGPU-CALCHBBNSA-N 1 1 290.451 3.450 20 10 CGCDMO Cc1cc(O)c(CN2CCC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC001325582633 934919085 /nfs/dbraw/zinc/91/90/85/934919085.db2.gz RVAPWQQEQPPJGN-ZDUSSCGKSA-N 1 1 294.826 3.024 20 10 CGCDMO Cc1ccc(C[N@H+](Cc2ccccc2)[C@H](C)CO)c(O)c1 ZINC001332976818 935501993 /nfs/dbraw/zinc/50/19/93/935501993.db2.gz RFIIVXXKRHXAQH-OAHLLOKOSA-N 1 1 285.387 3.084 20 10 CGCDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(N)cc2)C1 ZINC001334774272 936112814 /nfs/dbraw/zinc/11/28/14/936112814.db2.gz HRGYGCVPBHSAMJ-CABCVRRESA-N 1 1 264.438 3.375 20 10 CGCDMO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1Cc1ccc(N)cc1 ZINC001335290114 936137141 /nfs/dbraw/zinc/13/71/41/936137141.db2.gz SVJUXULMOVARIG-CQSZACIVSA-N 1 1 299.393 3.119 20 10 CGCDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N)cc2)C12CCC2 ZINC001336286662 936186283 /nfs/dbraw/zinc/18/62/83/936186283.db2.gz UEXQUHHUPBRMGM-CVEARBPZSA-N 1 1 274.408 3.048 20 10 CGCDMO CS[C@H]1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2O)C1 ZINC001337395956 936256446 /nfs/dbraw/zinc/25/64/46/936256446.db2.gz MSKXRFHEGWUPIY-OLZOCXBDSA-N 1 1 269.385 3.247 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC001474333938 937852303 /nfs/dbraw/zinc/85/23/03/937852303.db2.gz GPYAGXFKOOOAFV-STQMWFEESA-N 1 1 263.381 3.125 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1 ZINC001474504283 937863571 /nfs/dbraw/zinc/86/35/71/937863571.db2.gz FCYYVOWNDQYWDV-WMLDXEAASA-N 1 1 290.451 3.288 20 10 CGCDMO C[C@@]1(C[NH2+]Cc2cc(F)c(F)cc2O)CC1(Cl)Cl ZINC001474533463 937865202 /nfs/dbraw/zinc/86/52/02/937865202.db2.gz SVLXKJPJLICBJU-NSHDSACASA-N 1 1 296.144 3.344 20 10 CGCDMO C=C/C=C\CC[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC001559492453 938227505 /nfs/dbraw/zinc/22/75/05/938227505.db2.gz QDEHKPXMAPNBLA-PLNGDYQASA-N 1 1 286.419 3.340 20 10 CGCDMO CC(C)c1cnc(C[NH2+]Cc2ccc3c(c2)CCO3)s1 ZINC001560303113 938252068 /nfs/dbraw/zinc/25/20/68/938252068.db2.gz XGDJJRSDXAXEHX-UHFFFAOYSA-N 1 1 288.416 3.491 20 10 CGCDMO CCOC1CC([N@@H+](C)Cc2ccc(Cl)cc2O)C1 ZINC001560861811 938280368 /nfs/dbraw/zinc/28/03/68/938280368.db2.gz YCZNDGOWJTWJDQ-UHFFFAOYSA-N 1 1 269.772 3.045 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H]2c2ccc(C)nc2)c1 ZINC001203680106 957891258 /nfs/dbraw/zinc/89/12/58/957891258.db2.gz DWLZIRCSSCKHFN-KRWDZBQOSA-N 1 1 298.386 3.441 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CC(C)(C)C[C@H]2C)c(O)c1 ZINC001462352506 958816626 /nfs/dbraw/zinc/81/66/26/958816626.db2.gz YKAOPNYXIJZBCN-GFCCVEGCSA-N 1 1 263.381 3.330 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000092072385 345830056 /nfs/dbraw/zinc/83/00/56/345830056.db2.gz BMKSKCIMTDKTEQ-LLVKDONJSA-N 1 1 291.782 3.148 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)cc1 ZINC000092728313 370100284 /nfs/dbraw/zinc/10/02/84/370100284.db2.gz HSYKKFVSHNYCDW-MRXNPFEDSA-N 1 1 284.407 3.203 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)cc1 ZINC000092728313 370100288 /nfs/dbraw/zinc/10/02/88/370100288.db2.gz HSYKKFVSHNYCDW-MRXNPFEDSA-N 1 1 284.407 3.203 20 10 CGCDMO Cc1ccc(O)c(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1 ZINC000093636907 370147902 /nfs/dbraw/zinc/14/79/02/370147902.db2.gz PYFXEVLEFWBYNG-SJORKVTESA-N 1 1 288.435 3.148 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(C)C)c1 ZINC000093636907 370147905 /nfs/dbraw/zinc/14/79/05/370147905.db2.gz PYFXEVLEFWBYNG-SJORKVTESA-N 1 1 288.435 3.148 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(C)C)c1 ZINC000093636907 370147907 /nfs/dbraw/zinc/14/79/07/370147907.db2.gz PYFXEVLEFWBYNG-SJORKVTESA-N 1 1 288.435 3.148 20 10 CGCDMO C[N@H+](Cc1csc(C2CC2)n1)Cc1ccccc1O ZINC000136360313 371474889 /nfs/dbraw/zinc/47/48/89/371474889.db2.gz KZGFHQWSVGCIIE-UHFFFAOYSA-N 1 1 274.389 3.358 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)Cc1cnccc1OC ZINC000287786686 371706165 /nfs/dbraw/zinc/70/61/65/371706165.db2.gz NTNSDCBASHIHGN-UHFFFAOYSA-N 1 1 286.375 3.208 20 10 CGCDMO Cc1ccncc1CCC[N@H+](C)Cc1ccccc1O ZINC000289024102 371748964 /nfs/dbraw/zinc/74/89/64/371748964.db2.gz GKTQGUQSMJUXAD-UHFFFAOYSA-N 1 1 270.376 3.160 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000289354088 371754068 /nfs/dbraw/zinc/75/40/68/371754068.db2.gz JMUWHHSSHNBNFU-OAHLLOKOSA-N 1 1 271.364 3.151 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000156038820 371958466 /nfs/dbraw/zinc/95/84/66/371958466.db2.gz FXFVEVNCMHOBHV-WFASDCNBSA-N 1 1 261.365 3.165 20 10 CGCDMO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000290568532 372018688 /nfs/dbraw/zinc/01/86/88/372018688.db2.gz SXRXXKKPTKULCM-ZYHUDNBSSA-N 1 1 294.351 3.072 20 10 CGCDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000290568532 372018692 /nfs/dbraw/zinc/01/86/92/372018692.db2.gz SXRXXKKPTKULCM-ZYHUDNBSSA-N 1 1 294.351 3.072 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1C ZINC000294214140 372615694 /nfs/dbraw/zinc/61/56/94/372615694.db2.gz YKHPQESGYKTVMH-ZWKOTPCHSA-N 1 1 287.403 3.152 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C1CC(F)(F)C1 ZINC000294628680 372662685 /nfs/dbraw/zinc/66/26/85/372662685.db2.gz JPHSHPSEWDLXBB-UHFFFAOYSA-N 1 1 265.662 3.072 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)CCCCO)c1ccc(F)cc1O ZINC000296272392 373074586 /nfs/dbraw/zinc/07/45/86/373074586.db2.gz DRPNKGHXGSZCIV-FZMZJTMJSA-N 1 1 269.360 3.123 20 10 CGCDMO COC1(C[NH2+][C@@H](C)c2ccc(F)cc2O)CCCC1 ZINC000297309310 373265107 /nfs/dbraw/zinc/26/51/07/373265107.db2.gz MTEWICUTJMMRGM-NSHDSACASA-N 1 1 267.344 3.141 20 10 CGCDMO CCSCC[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC000179584772 373890337 /nfs/dbraw/zinc/89/03/37/373890337.db2.gz GHPHOPCNBQEPMC-GFCCVEGCSA-N 1 1 253.411 3.356 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000179884419 373934201 /nfs/dbraw/zinc/93/42/01/373934201.db2.gz YIRUVXCKJGCEEG-JTQLQIEISA-N 1 1 277.261 3.306 20 10 CGCDMO CC[N@@H+](C)C[C@H]1CCN(Cc2cc(Cl)cc(C)c2O)C1 ZINC000180550833 374023054 /nfs/dbraw/zinc/02/30/54/374023054.db2.gz CPUHVEYQZHFCIK-CYBMUJFWSA-N 1 1 296.842 3.128 20 10 CGCDMO CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC000180524331 374016270 /nfs/dbraw/zinc/01/62/70/374016270.db2.gz VZWWBXLFGBWCDV-ZDUSSCGKSA-N 1 1 296.842 3.209 20 10 CGCDMO CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180524331 374016278 /nfs/dbraw/zinc/01/62/78/374016278.db2.gz VZWWBXLFGBWCDV-ZDUSSCGKSA-N 1 1 296.842 3.209 20 10 CGCDMO CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180524331 374016281 /nfs/dbraw/zinc/01/62/81/374016281.db2.gz VZWWBXLFGBWCDV-ZDUSSCGKSA-N 1 1 296.842 3.209 20 10 CGCDMO C[C@H](c1ccccn1)[N@@H+](C)Cc1cc(F)ccc1O ZINC000183676357 374440923 /nfs/dbraw/zinc/44/09/23/374440923.db2.gz WHWWZFJMDPYVIT-LLVKDONJSA-N 1 1 260.312 3.119 20 10 CGCDMO Cc1cccc(C[N@H+](C)[C@@H](C)c2ccncc2)c1O ZINC000183712056 374444532 /nfs/dbraw/zinc/44/45/32/374444532.db2.gz MEWCGFZOLZEGOJ-ZDUSSCGKSA-N 1 1 256.349 3.289 20 10 CGCDMO CC1(C)[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)[C@@H]2CCO[C@@H]21 ZINC000191179973 375590565 /nfs/dbraw/zinc/59/05/65/375590565.db2.gz XTILVSSKXSGNGX-PCTYZZJISA-N 1 1 299.773 3.088 20 10 CGCDMO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1 ZINC000268832807 378126196 /nfs/dbraw/zinc/12/61/96/378126196.db2.gz KXKBWTKZXDBWAH-QGZVFWFLSA-N 1 1 298.434 3.423 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc(F)cc1O ZINC000273530857 378752795 /nfs/dbraw/zinc/75/27/95/378752795.db2.gz WGVPTWIQTSGMPO-DGCLKSJQSA-N 1 1 279.355 3.284 20 10 CGCDMO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(F)cc1O ZINC000273612695 378755942 /nfs/dbraw/zinc/75/59/42/378755942.db2.gz WQSVXYJFEUJEKT-WDBKCZKBSA-N 1 1 267.344 3.140 20 10 CGCDMO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2nccs2)c1 ZINC000375017389 379484905 /nfs/dbraw/zinc/48/49/05/379484905.db2.gz HGUDVVHULXXPHE-ZDUSSCGKSA-N 1 1 290.388 3.194 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H]2c2nccs2)c1 ZINC000375017389 379484916 /nfs/dbraw/zinc/48/49/16/379484916.db2.gz HGUDVVHULXXPHE-ZDUSSCGKSA-N 1 1 290.388 3.194 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc(F)cc1O ZINC000375896423 379517483 /nfs/dbraw/zinc/51/74/83/379517483.db2.gz WSUSRKKJSZVJFP-LZWOXQAQSA-N 1 1 279.355 3.140 20 10 CGCDMO CCCC[N@H+](Cc1nnc(C)s1)Cc1ccccc1O ZINC000282488726 379930007 /nfs/dbraw/zinc/93/00/07/379930007.db2.gz POZFICMEVXBVQU-UHFFFAOYSA-N 1 1 291.420 3.354 20 10 CGCDMO CCCC[N@@H+](Cc1nnc(C)s1)Cc1ccccc1O ZINC000282488726 379930011 /nfs/dbraw/zinc/93/00/11/379930011.db2.gz POZFICMEVXBVQU-UHFFFAOYSA-N 1 1 291.420 3.354 20 10 CGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@H](C)COC ZINC000282547801 379943876 /nfs/dbraw/zinc/94/38/76/379943876.db2.gz WVJBTANXXNQRHL-CYBMUJFWSA-N 1 1 251.370 3.029 20 10 CGCDMO CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)c2ccc(F)cc2[O-])C1 ZINC000286319105 380195724 /nfs/dbraw/zinc/19/57/24/380195724.db2.gz XNGVNUHWYSTCAO-CJNGLKHVSA-N 1 1 294.414 3.304 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)c1cn[nH]c1)c1ccc(F)cc1O ZINC000286078821 380158445 /nfs/dbraw/zinc/15/84/45/380158445.db2.gz LLHJSUNBTRVBCZ-NOZJJQNGSA-N 1 1 263.316 3.056 20 10 CGCDMO CC[C@@H]([NH2+][C@@H]1CCCOCC1)c1ccc(F)cc1O ZINC000286028760 380158554 /nfs/dbraw/zinc/15/85/54/380158554.db2.gz JAMYRQGJWGHUIN-TZMCWYRMSA-N 1 1 267.344 3.141 20 10 CGCDMO CC[C@H]([NH2+]Cc1cc(C)no1)c1ccc(F)cc1O ZINC000286034405 380158822 /nfs/dbraw/zinc/15/88/22/380158822.db2.gz KGUBZIOSNOPGKY-ZDUSSCGKSA-N 1 1 264.300 3.069 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@@H]1CCOc2ccccc21 ZINC000372433781 392611443 /nfs/dbraw/zinc/61/14/43/392611443.db2.gz PHYZOFHFSHJFSR-AWEZNQCLSA-N 1 1 283.371 3.390 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000179580959 392703643 /nfs/dbraw/zinc/70/36/43/392703643.db2.gz DYUYFRXXCOGIFI-KRWDZBQOSA-N 1 1 282.387 3.469 20 10 CGCDMO CSC1(C[NH2+][C@@H](C)c2ccc(F)cc2O)CCC1 ZINC000193804770 392886907 /nfs/dbraw/zinc/88/69/07/392886907.db2.gz LMEVHHMQSDIZLK-JTQLQIEISA-N 1 1 269.385 3.468 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)[C@@H](C)C2(C)CC2)cc1OC ZINC000160383661 261212487 /nfs/dbraw/zinc/21/24/87/261212487.db2.gz IMPOATIUKUOEMV-NSHDSACASA-N 1 1 279.380 3.030 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000184997413 262036697 /nfs/dbraw/zinc/03/66/97/262036697.db2.gz AUZQETQTTFSGKQ-VXGBXAGGSA-N 1 1 294.826 3.181 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000184997413 262036700 /nfs/dbraw/zinc/03/67/00/262036700.db2.gz AUZQETQTTFSGKQ-VXGBXAGGSA-N 1 1 294.826 3.181 20 10 CGCDMO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(F)cc1O ZINC000185528905 262058953 /nfs/dbraw/zinc/05/89/53/262058953.db2.gz IMLNITYOIRYPQF-BMIGLBTASA-N 1 1 295.379 3.151 20 10 CGCDMO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2O)n[nH]1 ZINC000186130671 262081001 /nfs/dbraw/zinc/08/10/01/262081001.db2.gz GTNRFFPTHMLBRC-GXSJLCMTSA-N 1 1 293.798 3.359 20 10 CGCDMO CCn1cc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2O)cn1 ZINC000296109934 263186134 /nfs/dbraw/zinc/18/61/34/263186134.db2.gz ZMAVINWQIVFMSC-QWRGUYRKSA-N 1 1 277.343 3.160 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c1 ZINC000367723829 267113242 /nfs/dbraw/zinc/11/32/42/267113242.db2.gz NEIOAIQMRSPGAR-KRWDZBQOSA-N 1 1 299.370 3.054 20 10 CGCDMO CO[C@]1(C)CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000369532984 267248873 /nfs/dbraw/zinc/24/88/73/267248873.db2.gz QVSCVPLNLTYFFM-OAHLLOKOSA-N 1 1 283.799 3.437 20 10 CGCDMO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000269795161 274274205 /nfs/dbraw/zinc/27/42/05/274274205.db2.gz BFMBOQOFVDHSKY-UKRRQHHQSA-N 1 1 285.387 3.281 20 10 CGCDMO COc1cccc(C[N@H+]2CCOc3ccc(C)cc3C2)c1O ZINC000367716823 278010918 /nfs/dbraw/zinc/01/09/18/278010918.db2.gz CDDQPZUBWBJZBD-UHFFFAOYSA-N 1 1 299.370 3.104 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1O ZINC000186454335 329342642 /nfs/dbraw/zinc/34/26/42/329342642.db2.gz PWZRIDOEMUGFLE-IBGZPJMESA-N 1 1 295.382 3.332 20 10 CGCDMO Cc1ncccc1C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000527987936 330298974 /nfs/dbraw/zinc/29/89/74/330298974.db2.gz QFJCQBMXTDUKKD-LLVKDONJSA-N 1 1 260.312 3.086 20 10 CGCDMO CCCOc1ccc(C[N@@H+](CC)C[C@H](C)OC)c(O)c1 ZINC000291103071 520344160 /nfs/dbraw/zinc/34/41/60/520344160.db2.gz RPOYAEAJRJCFKJ-ZDUSSCGKSA-N 1 1 281.396 3.038 20 10 CGCDMO COc1c(O)c(C[NH2+]CC(C)(C)C(C)C)ccc1[N+](=O)[O-] ZINC000278437473 521876228 /nfs/dbraw/zinc/87/62/28/521876228.db2.gz VCUFLYJZGPDNGQ-UHFFFAOYSA-N 1 1 296.367 3.081 20 10 CGCDMO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cccc(OC)c1O ZINC000290400010 523119547 /nfs/dbraw/zinc/11/95/47/523119547.db2.gz JIBKUGABVVDFDU-HNNXBMFYSA-N 1 1 286.375 3.379 20 10 CGCDMO C[N@H+](Cc1c(O)ccc2ccccc21)C[C@H]1CCCO1 ZINC000096810769 523158097 /nfs/dbraw/zinc/15/80/97/523158097.db2.gz POSZXQAJUOWQEP-CQSZACIVSA-N 1 1 271.360 3.156 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@H]1OCCc2ccccc21 ZINC000265204954 523384017 /nfs/dbraw/zinc/38/40/17/523384017.db2.gz KHVXQRSCIGPDPL-GOSISDBHSA-N 1 1 283.371 3.138 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000291654372 524736797 /nfs/dbraw/zinc/73/67/97/524736797.db2.gz UWKVEHDRHLSNBB-INIZCTEOSA-N 1 1 273.376 3.165 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000127406709 525341567 /nfs/dbraw/zinc/34/15/67/525341567.db2.gz WRLSGFNSQCEAKC-HNNXBMFYSA-N 1 1 256.349 3.366 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(F)cc1O ZINC000062745159 525527090 /nfs/dbraw/zinc/52/70/90/525527090.db2.gz GKDISZPGCXYVEN-GFCCVEGCSA-N 1 1 288.366 3.448 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000289730014 526327945 /nfs/dbraw/zinc/32/79/45/526327945.db2.gz HUZBZBYPIARZNV-HNNXBMFYSA-N 1 1 272.323 3.263 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000289730014 526327953 /nfs/dbraw/zinc/32/79/53/526327953.db2.gz HUZBZBYPIARZNV-HNNXBMFYSA-N 1 1 272.323 3.263 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278315704 526348615 /nfs/dbraw/zinc/34/86/15/526348615.db2.gz FNQIVBVFGLTPOG-SECBINFHSA-N 1 1 277.261 3.306 20 10 CGCDMO CC[N@H+](Cc1cc(C)on1)Cc1ccc(N(C)C)cc1 ZINC000726984094 571697726 /nfs/dbraw/zinc/69/77/26/571697726.db2.gz HBUAUUDNKROPRZ-UHFFFAOYSA-N 1 1 273.380 3.071 20 10 CGCDMO CC[N@@H+](Cc1cc(C)on1)Cc1ccc(N(C)C)cc1 ZINC000726984094 571697729 /nfs/dbraw/zinc/69/77/29/571697729.db2.gz HBUAUUDNKROPRZ-UHFFFAOYSA-N 1 1 273.380 3.071 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCOC2)cc1C(C)C ZINC000730260829 572334013 /nfs/dbraw/zinc/33/40/13/572334013.db2.gz VNPJTIVBXVGJQE-AWEZNQCLSA-N 1 1 263.381 3.045 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](c3ccco3)C1)CCC2 ZINC000732182630 572450477 /nfs/dbraw/zinc/45/04/77/572450477.db2.gz VILGQUGRXAPDRX-HNNXBMFYSA-N 1 1 283.371 3.463 20 10 CGCDMO Cc1ccc(NCc2ccc(N(C)C)c(F)c2)[nH+]c1 ZINC000742398348 572577418 /nfs/dbraw/zinc/57/74/18/572577418.db2.gz PLSUMSSSAKWPAG-UHFFFAOYSA-N 1 1 259.328 3.207 20 10 CGCDMO CCOCC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000733613773 572591536 /nfs/dbraw/zinc/59/15/36/572591536.db2.gz KXYDANUOITVFJJ-UHFFFAOYSA-N 1 1 263.381 3.173 20 10 CGCDMO COc1cc(C[N@H+]2CCS[C@H](C)[C@@H]2C)c(O)cc1C ZINC000160218424 617620232 /nfs/dbraw/zinc/62/02/32/617620232.db2.gz PLFVIFAKGXEPJP-NWDGAFQWSA-N 1 1 281.421 3.035 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)c1 ZINC000253105757 617676445 /nfs/dbraw/zinc/67/64/45/617676445.db2.gz TZLUVMYZLJLWSK-JHJVBQTASA-N 1 1 263.381 3.267 20 10 CGCDMO COc1cc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c(O)cc1C ZINC000160301616 617930991 /nfs/dbraw/zinc/93/09/91/617930991.db2.gz KKQFRQYTNRESRB-TXEJJXNPSA-N 1 1 281.421 3.035 20 10 CGCDMO CC[C@@H](C)C[N@@H+](CC)Cc1cc(OC)c(OC)cc1O ZINC000160352657 618019873 /nfs/dbraw/zinc/01/98/73/618019873.db2.gz WLEHKKVPQXGDLQ-GFCCVEGCSA-N 1 1 281.396 3.277 20 10 CGCDMO C[C@H]([NH2+]CCCOCC(F)(F)F)c1ccc(F)cc1O ZINC000184992740 625289278 /nfs/dbraw/zinc/28/92/78/625289278.db2.gz MAHCPNBYSTUZFQ-VIFPVBQESA-N 1 1 295.276 3.151 20 10 CGCDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccccc1O ZINC000179573573 618796021 /nfs/dbraw/zinc/79/60/21/618796021.db2.gz NVLDVUJWWFBVEL-CYBMUJFWSA-N 1 1 271.360 3.161 20 10 CGCDMO CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1ccccc1O ZINC000179577496 618796401 /nfs/dbraw/zinc/79/64/01/618796401.db2.gz OQMOUSAFACARSK-GOSISDBHSA-N 1 1 299.414 3.411 20 10 CGCDMO C[N@@H+](CCC1CCOCC1)Cc1cc2c(cc1O)CCC2 ZINC000177165167 618805788 /nfs/dbraw/zinc/80/57/88/618805788.db2.gz QTGDPOFSXQSCNW-UHFFFAOYSA-N 1 1 289.419 3.129 20 10 CGCDMO Cc1cccc(C[N@@H+](C)Cc2nc3ccccc3n2C)c1O ZINC000180228562 619013697 /nfs/dbraw/zinc/01/36/97/619013697.db2.gz DFEURZYABSXLFG-UHFFFAOYSA-N 1 1 295.386 3.219 20 10 CGCDMO Cc1cccc(C[N@H+](C)Cc2nc3ccccc3n2C)c1O ZINC000180228562 619013699 /nfs/dbraw/zinc/01/36/99/619013699.db2.gz DFEURZYABSXLFG-UHFFFAOYSA-N 1 1 295.386 3.219 20 10 CGCDMO CCC[C@]1(COC)CCC[N@H+]1Cc1ccccc1O ZINC000195199198 619147551 /nfs/dbraw/zinc/14/75/51/619147551.db2.gz SGQYWTWVDFLNRC-MRXNPFEDSA-N 1 1 263.381 3.173 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CCS1 ZINC000093501889 619202163 /nfs/dbraw/zinc/20/21/63/619202163.db2.gz WHCIZQYSESBQDO-HNNXBMFYSA-N 1 1 264.438 3.080 20 10 CGCDMO Cc1ncoc1C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000893946533 619338772 /nfs/dbraw/zinc/33/87/72/619338772.db2.gz CCFSKVDUZIKDDN-UHFFFAOYSA-N 1 1 287.407 3.460 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000895073437 619712958 /nfs/dbraw/zinc/71/29/58/619712958.db2.gz HMMZKKYRAKHYPK-ABAIWWIYSA-N 1 1 297.345 3.061 20 10 CGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000895073437 619712963 /nfs/dbraw/zinc/71/29/63/619712963.db2.gz HMMZKKYRAKHYPK-ABAIWWIYSA-N 1 1 297.345 3.061 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH+]1CC(c2ccccc2)C1 ZINC000895418302 619823956 /nfs/dbraw/zinc/82/39/56/619823956.db2.gz LLHWFAMOXYVSIO-UHFFFAOYSA-N 1 1 275.298 3.270 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@@H](c3nccs3)C2)c1O ZINC000895585572 619854958 /nfs/dbraw/zinc/85/49/58/619854958.db2.gz ZAWTWQYPAIZOSC-CQSZACIVSA-N 1 1 288.416 3.401 20 10 CGCDMO CC[C@@H](CC(F)(F)F)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883087877 619872382 /nfs/dbraw/zinc/87/23/82/619872382.db2.gz LITYPIODMVYZAJ-VIFPVBQESA-N 1 1 283.240 3.491 20 10 CGCDMO Cc1cccc(O)c1C[NH2+][C@H]1c2ccccc2OC[C@@H]1F ZINC000896422095 620007249 /nfs/dbraw/zinc/00/72/49/620007249.db2.gz HOBMKUCEEQWIQA-YOEHRIQHSA-N 1 1 287.334 3.262 20 10 CGCDMO Cc1ccc(C[N@H+]2CCS[C@H](C(F)(F)F)C2)c(O)c1 ZINC000896454200 620009546 /nfs/dbraw/zinc/00/95/46/620009546.db2.gz VASBNKAPXZSRMN-LBPRGKRZSA-N 1 1 291.338 3.180 20 10 CGCDMO Cc1ccc(C[NH2+]Cc2c(O)cccc2F)cc1C ZINC000896639271 620041695 /nfs/dbraw/zinc/04/16/95/620041695.db2.gz CCXKGNSEMWNNCS-UHFFFAOYSA-N 1 1 259.324 3.438 20 10 CGCDMO C[C@@H]([NH2+]Cc1c(O)cccc1F)C1CCSCC1 ZINC000896638920 620041778 /nfs/dbraw/zinc/04/17/78/620041778.db2.gz RWDYFPIQGDEXLC-SNVBAGLBSA-N 1 1 269.385 3.153 20 10 CGCDMO CCc1onc(C)c1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000897337246 620211576 /nfs/dbraw/zinc/21/15/76/620211576.db2.gz XTWBUNILPHSACI-UHFFFAOYSA-N 1 1 298.745 3.333 20 10 CGCDMO COc1ccc(CNCCC[N@@H+]2CCCC[C@@H]2C)cc1C ZINC000035052729 620265717 /nfs/dbraw/zinc/26/57/17/620265717.db2.gz QJRPVDVFWYIFDT-INIZCTEOSA-N 1 1 290.451 3.358 20 10 CGCDMO COc1ccc(CNCCC[N@H+]2CCCC[C@@H]2C)cc1C ZINC000035052729 620265719 /nfs/dbraw/zinc/26/57/19/620265719.db2.gz QJRPVDVFWYIFDT-INIZCTEOSA-N 1 1 290.451 3.358 20 10 CGCDMO CCOc1ccc(CNc2cc(CC)[nH+]c(C)n2)c(O)c1 ZINC000902227063 621200737 /nfs/dbraw/zinc/20/07/37/621200737.db2.gz TUDSOHJUJYWZAM-UHFFFAOYSA-N 1 1 287.363 3.064 20 10 CGCDMO Oc1ccc2ccncc2c1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000902650316 621392569 /nfs/dbraw/zinc/39/25/69/621392569.db2.gz NAGKTYJZTCJHND-BBRMVZONSA-N 1 1 268.360 3.315 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](C(C)(C)C)C2)c1 ZINC000163861599 622806148 /nfs/dbraw/zinc/80/61/48/622806148.db2.gz OOHNXUGNXVOGTF-CYBMUJFWSA-N 1 1 263.381 3.269 20 10 CGCDMO C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000158079444 623004155 /nfs/dbraw/zinc/00/41/55/623004155.db2.gz ZYIMRBRFFCSDCR-ZDUSSCGKSA-N 1 1 296.842 3.400 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccsc1)c1ccc(F)cc1O ZINC000063152546 623303201 /nfs/dbraw/zinc/30/32/01/623303201.db2.gz KFPIXBZUFQBQOJ-SECBINFHSA-N 1 1 251.326 3.444 20 10 CGCDMO CC[C@@H]1COCC[N@H+]1Cc1cc(C(C)C)c(C)cc1O ZINC000151900787 623581698 /nfs/dbraw/zinc/58/16/98/623581698.db2.gz NTXOPRVEDZZLIA-OAHLLOKOSA-N 1 1 277.408 3.435 20 10 CGCDMO C[N@H+](Cc1ccccc1O)Cc1ccncc1Cl ZINC000174854054 624328988 /nfs/dbraw/zinc/32/89/88/624328988.db2.gz MEXMKLAJPLESQO-UHFFFAOYSA-N 1 1 262.740 3.073 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1ccncc1Cl ZINC000174854054 624328989 /nfs/dbraw/zinc/32/89/89/624328989.db2.gz MEXMKLAJPLESQO-UHFFFAOYSA-N 1 1 262.740 3.073 20 10 CGCDMO CO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C12CCC2 ZINC000839180763 626326675 /nfs/dbraw/zinc/32/66/75/626326675.db2.gz WIGRSAWDPJOVIG-KBPBESRZSA-N 1 1 299.773 3.232 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000751945615 626412587 /nfs/dbraw/zinc/41/25/87/626412587.db2.gz OEJLATPTLYQJQT-AWEZNQCLSA-N 1 1 263.381 3.045 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2C[C@H](C)CC(C)(C)C2)c1 ZINC000753576283 626456165 /nfs/dbraw/zinc/45/61/65/626456165.db2.gz QOZQHLNQOBARRW-GFCCVEGCSA-N 1 1 263.381 3.269 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)c1O ZINC000754155153 626561250 /nfs/dbraw/zinc/56/12/50/626561250.db2.gz CRFAEQLJLIQJSB-JTQLQIEISA-N 1 1 299.798 3.054 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CC(C)(C)OC[C@@H]2C)c1O ZINC000754155153 626561253 /nfs/dbraw/zinc/56/12/53/626561253.db2.gz CRFAEQLJLIQJSB-JTQLQIEISA-N 1 1 299.798 3.054 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](N3CCCCC3)C2)c1 ZINC000754726954 626585204 /nfs/dbraw/zinc/58/52/04/626585204.db2.gz YHSRKCFBIRNMKG-KRWDZBQOSA-N 1 1 288.435 3.069 20 10 CGCDMO Cc1cc(C)c(O)c(CN2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000754726954 626585205 /nfs/dbraw/zinc/58/52/05/626585205.db2.gz YHSRKCFBIRNMKG-KRWDZBQOSA-N 1 1 288.435 3.069 20 10 CGCDMO CC(C)[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000755920464 626660613 /nfs/dbraw/zinc/66/06/13/626660613.db2.gz APBOQALTAUXBOR-HNNXBMFYSA-N 1 1 259.393 3.359 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCCC[C@H]2C)c1 ZINC000756342183 626694138 /nfs/dbraw/zinc/69/41/38/626694138.db2.gz OUFNZBRTVOGPHX-XUJVJEKNSA-N 1 1 291.391 3.408 20 10 CGCDMO C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(F)cc1O ZINC000756361100 626696367 /nfs/dbraw/zinc/69/63/67/626696367.db2.gz FSIWMMRKRATSLX-LLVKDONJSA-N 1 1 285.322 3.030 20 10 CGCDMO CC(C)c1cc(C[NH2+][C@@H](C)c2ccc(F)cc2O)on1 ZINC000756571673 626716134 /nfs/dbraw/zinc/71/61/34/626716134.db2.gz IQUOYBISZISXSI-JTQLQIEISA-N 1 1 278.327 3.494 20 10 CGCDMO Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000756635866 626722842 /nfs/dbraw/zinc/72/28/42/626722842.db2.gz HUQOXVXPHVRKMV-LRDDRELGSA-N 1 1 289.350 3.224 20 10 CGCDMO C[C@@H]([NH2+]CCNc1ccccc1)c1ccc(F)cc1O ZINC000756643321 626724016 /nfs/dbraw/zinc/72/40/16/626724016.db2.gz UDDQRSVEIHOSTC-GFCCVEGCSA-N 1 1 274.339 3.294 20 10 CGCDMO CCC1(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000756738973 626728620 /nfs/dbraw/zinc/72/86/20/626728620.db2.gz JEXQLHOGAWCMHH-NSHDSACASA-N 1 1 277.364 3.020 20 10 CGCDMO C[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1ccc(F)cc1O ZINC000760897416 627000717 /nfs/dbraw/zinc/00/07/17/627000717.db2.gz LDCKKWYBLXPLPO-LLVKDONJSA-N 1 1 299.349 3.269 20 10 CGCDMO C[C@H]([NH2+]Cc1nn(C)c2ccccc12)c1ccc(F)cc1O ZINC000760897418 627000798 /nfs/dbraw/zinc/00/07/98/627000798.db2.gz LDCKKWYBLXPLPO-NSHDSACASA-N 1 1 299.349 3.269 20 10 CGCDMO O=C(CC[N@@H+](Cc1ccco1)Cc1ccccc1O)C1CC1 ZINC000767423549 627407699 /nfs/dbraw/zinc/40/76/99/627407699.db2.gz BMEMCIJIXFADNW-UHFFFAOYSA-N 1 1 299.370 3.357 20 10 CGCDMO CCC[C@@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768337324 627474074 /nfs/dbraw/zinc/47/40/74/627474074.db2.gz DRCKHUHVVRTTDC-CQSZACIVSA-N 1 1 294.414 3.283 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000768360668 627475849 /nfs/dbraw/zinc/47/58/49/627475849.db2.gz OAMFKNXBLXBCCM-HNNXBMFYSA-N 1 1 283.371 3.390 20 10 CGCDMO C[C@H]1[N@@H+](Cc2cc3c(cc2O)CCCC3)CCOC1(C)C ZINC000768463830 627481112 /nfs/dbraw/zinc/48/11/12/627481112.db2.gz XOCBILRZCKJAAZ-CYBMUJFWSA-N 1 1 289.419 3.270 20 10 CGCDMO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000768892805 627506240 /nfs/dbraw/zinc/50/62/40/627506240.db2.gz LKOGHPDQGRXBFT-MRXNPFEDSA-N 1 1 298.430 3.136 20 10 CGCDMO COc1cccc(C[N@H+]2CCOc3ccccc3[C@@H]2C)c1O ZINC000768930195 627509998 /nfs/dbraw/zinc/50/99/98/627509998.db2.gz MNKPHLBYRMQJGW-ZDUSSCGKSA-N 1 1 299.370 3.356 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000769314373 627540115 /nfs/dbraw/zinc/54/01/15/627540115.db2.gz YDJAKTXJYCEJIN-LBPRGKRZSA-N 1 1 291.782 3.079 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000769403566 627549308 /nfs/dbraw/zinc/54/93/08/627549308.db2.gz DMNXJDFITPRBHN-UHFFFAOYSA-N 1 1 284.378 3.450 20 10 CGCDMO CCOc1ccc(C[N@H+]2C[C@H](C)C[C@H]2CC)c(O)c1 ZINC000769449126 627553884 /nfs/dbraw/zinc/55/38/84/627553884.db2.gz ZCOOVGKJBRHDMH-TZMCWYRMSA-N 1 1 263.381 3.411 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCCOC[C@@H]2C)cc1 ZINC000769458243 627554935 /nfs/dbraw/zinc/55/49/35/627554935.db2.gz ZPSZXOQQQWAXDB-HNNXBMFYSA-N 1 1 276.424 3.144 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000770286603 627611934 /nfs/dbraw/zinc/61/19/34/627611934.db2.gz RYLUMLXHVXBCBB-RISCZKNCSA-N 1 1 281.783 3.047 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2cccc(O)c2)cc1C ZINC000771935097 627746671 /nfs/dbraw/zinc/74/66/71/627746671.db2.gz LERVPTCECXLYHU-UHFFFAOYSA-N 1 1 271.360 3.347 20 10 CGCDMO CC[C@@H]([NH2+]CCCC[NH+](C)C)c1cc(Cl)ccc1[O-] ZINC000775497398 628101328 /nfs/dbraw/zinc/10/13/28/628101328.db2.gz QBTXYKLDZBQGIK-CQSZACIVSA-N 1 1 284.831 3.428 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCOc3ccccc3[C@@H]2C)c1 ZINC000775658258 628120931 /nfs/dbraw/zinc/12/09/31/628120931.db2.gz MCZJWKNOAVXDEI-ZDUSSCGKSA-N 1 1 299.370 3.356 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCCOC(C)(C)C2)c1O ZINC000775711135 628128088 /nfs/dbraw/zinc/12/80/88/628128088.db2.gz VEQIYJRRQVIWSB-UHFFFAOYSA-N 1 1 283.799 3.355 20 10 CGCDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2cccc(C)c2O)C1(C)C ZINC000775735542 628131445 /nfs/dbraw/zinc/13/14/45/628131445.db2.gz RPYRJWYKFIKPLZ-RHSMWYFYSA-N 1 1 277.408 3.336 20 10 CGCDMO Oc1ccc(F)cc1C[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000779067247 628386499 /nfs/dbraw/zinc/38/64/99/628386499.db2.gz YCWCLZKBAKSYMJ-UHFFFAOYSA-N 1 1 298.317 3.476 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)c1O ZINC000779152998 628390813 /nfs/dbraw/zinc/39/08/13/628390813.db2.gz IZRGBYPDZUBUQH-DOMZBBRYSA-N 1 1 297.826 3.337 20 10 CGCDMO CC[C@]1(O)CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000779220146 628394998 /nfs/dbraw/zinc/39/49/98/628394998.db2.gz YJPDWXHMVWFUEU-SFHVURJKSA-N 1 1 288.435 3.024 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000783593222 628730376 /nfs/dbraw/zinc/73/03/76/628730376.db2.gz OHWUVOMNJQAUGB-KCQAQPDRSA-N 1 1 275.392 3.411 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C)[C@@H](OC)C2)cc1 ZINC000784669257 628828153 /nfs/dbraw/zinc/82/81/53/628828153.db2.gz YWOYGZVATDSVMA-QAPCUYQASA-N 1 1 290.451 3.390 20 10 CGCDMO C[C@@H]([NH2+]CC1(C)COC1)c1cccc(C(F)(F)F)c1O ZINC000788603092 629068514 /nfs/dbraw/zinc/06/85/14/629068514.db2.gz DTCYNVZTXZUHOG-SECBINFHSA-N 1 1 289.297 3.098 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCCOC1)c1cccc(C(F)(F)F)c1O ZINC000788787094 629082128 /nfs/dbraw/zinc/08/21/28/629082128.db2.gz YNEZERRXBRSTSP-UWVGGRQHSA-N 1 1 289.297 3.241 20 10 CGCDMO CC[N@@H+](CCC1CCOCC1)Cc1ccc(N(C)C)cc1 ZINC000789743688 629165436 /nfs/dbraw/zinc/16/54/36/629165436.db2.gz FVZUHCVHNYTKIU-UHFFFAOYSA-N 1 1 290.451 3.391 20 10 CGCDMO C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@@H]1CCCOC1 ZINC000790988778 629247081 /nfs/dbraw/zinc/24/70/81/629247081.db2.gz AQPNSQCJKMTZCI-NXEZZACHSA-N 1 1 287.762 3.089 20 10 CGCDMO COc1ccc(CNCC(C)(C)C[NH+]2CCCC2)cc1C ZINC000791009985 629249533 /nfs/dbraw/zinc/24/95/33/629249533.db2.gz BCBBCFYBQGQWOA-UHFFFAOYSA-N 1 1 290.451 3.215 20 10 CGCDMO CCOC1CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862222661 629325218 /nfs/dbraw/zinc/32/52/18/629325218.db2.gz ICSQDGJRXQODMF-UHFFFAOYSA-N 1 1 298.377 3.032 20 10 CGCDMO COCC[N@@H+](Cc1cccc(OC)c1O)[C@H]1CC[C@H](C)C1 ZINC000792192827 629346807 /nfs/dbraw/zinc/34/68/07/629346807.db2.gz NZUNXUBAKHTSOM-ZFWWWQNUSA-N 1 1 293.407 3.038 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCSCC[C@H]2C)c(O)c1 ZINC000792197006 629348860 /nfs/dbraw/zinc/34/88/60/629348860.db2.gz NZIAEUXYYIMTGA-GFCCVEGCSA-N 1 1 281.421 3.118 20 10 CGCDMO CCC(O)(CC)C[N@@H+](C)Cc1c(O)cccc1Cl ZINC000862539097 629394165 /nfs/dbraw/zinc/39/41/65/629394165.db2.gz HTFYKDOGKDNYFG-UHFFFAOYSA-N 1 1 271.788 3.029 20 10 CGCDMO Oc1ccc([C@H]2CC[N@@H+](Cc3ccccc3O)C2)cc1 ZINC000862540667 629396526 /nfs/dbraw/zinc/39/65/26/629396526.db2.gz JAKNHYISKOHDQO-AWEZNQCLSA-N 1 1 269.344 3.087 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](c2ccc(O)cc2)C1 ZINC000862541633 629396971 /nfs/dbraw/zinc/39/69/71/629396971.db2.gz YFSFWMKEFPNTTD-CQSZACIVSA-N 1 1 299.370 3.096 20 10 CGCDMO CO[C@]1(C)CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000793216861 629429416 /nfs/dbraw/zinc/42/94/16/629429416.db2.gz JSNZXVGSOWMTTI-CQSZACIVSA-N 1 1 287.762 3.186 20 10 CGCDMO CO[C@]1(C)CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000793216861 629429422 /nfs/dbraw/zinc/42/94/22/629429422.db2.gz JSNZXVGSOWMTTI-CQSZACIVSA-N 1 1 287.762 3.186 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)[C@H]2CCC(C)(C)C2)c1 ZINC000793351041 629446472 /nfs/dbraw/zinc/44/64/72/629446472.db2.gz FJPBYTQZDUWDLO-ZDUSSCGKSA-N 1 1 263.381 3.411 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000795665604 629707405 /nfs/dbraw/zinc/70/74/05/629707405.db2.gz GCDDNCBZEPIWEY-INIZCTEOSA-N 1 1 285.391 3.459 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CSC[C@@H]2C)c1O ZINC000796403456 629776961 /nfs/dbraw/zinc/77/69/61/629776961.db2.gz RAHHJPMDTQWCNI-ISVAXAHUSA-N 1 1 299.823 3.089 20 10 CGCDMO CCCCN(C)CC[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000796761205 629828752 /nfs/dbraw/zinc/82/87/52/629828752.db2.gz ORBPUHDGLXHZME-HNNXBMFYSA-N 1 1 282.403 3.304 20 10 CGCDMO CC[C@@H]([NH2+]CCc1cscn1)c1ccc(F)cc1O ZINC000796797704 629835936 /nfs/dbraw/zinc/83/59/36/629835936.db2.gz MYDPNHUBNCIZAK-CYBMUJFWSA-N 1 1 280.368 3.271 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1ccc(F)cc1O ZINC000796931210 629860555 /nfs/dbraw/zinc/86/05/55/629860555.db2.gz ODDZVTGJFIAXLO-ZOWXZIJZSA-N 1 1 281.371 3.387 20 10 CGCDMO C[C@@H](CCCO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000798181470 630030897 /nfs/dbraw/zinc/03/08/97/630030897.db2.gz KLXRXLIBVLVXOX-UWVGGRQHSA-N 1 1 291.313 3.223 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)cc1F ZINC000798962827 630129526 /nfs/dbraw/zinc/12/95/26/630129526.db2.gz QSSPAQJFCRHMMH-OAHLLOKOSA-N 1 1 299.393 3.276 20 10 CGCDMO CC1C[NH+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000802651240 630402304 /nfs/dbraw/zinc/40/23/04/630402304.db2.gz KQQLUSSAGGDDQI-UHFFFAOYSA-N 1 1 289.379 3.037 20 10 CGCDMO CC[N@H+](CCCN1CCCC1)Cc1cc(C)ccc1O ZINC000809749176 630799092 /nfs/dbraw/zinc/79/90/92/630799092.db2.gz CIHKRAGZCYOLNG-UHFFFAOYSA-N 1 1 276.424 3.008 20 10 CGCDMO CC[N@@H+](CCCN1CCCC1)Cc1cc(C)ccc1O ZINC000809749176 630799099 /nfs/dbraw/zinc/79/90/99/630799099.db2.gz CIHKRAGZCYOLNG-UHFFFAOYSA-N 1 1 276.424 3.008 20 10 CGCDMO CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(Cl)c1[O-] ZINC000809750328 630799134 /nfs/dbraw/zinc/79/91/34/630799134.db2.gz UJFUDWYCJTWEFM-UHFFFAOYSA-N 1 1 296.842 3.353 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@H](CC)CSC)c1 ZINC000809767834 630803672 /nfs/dbraw/zinc/80/36/72/630803672.db2.gz VPSHUWMGSNOHGJ-CYBMUJFWSA-N 1 1 283.437 3.364 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC[C@H](C3CCC3)C2)cc1OC ZINC000840189946 630820630 /nfs/dbraw/zinc/82/06/30/630820630.db2.gz UGLALWFPFHCMEN-ZDUSSCGKSA-N 1 1 291.391 3.031 20 10 CGCDMO CCC[N@H+](CC)C[C@@H](C)N[C@@H](C)c1cc(F)ccc1O ZINC000810262591 630862285 /nfs/dbraw/zinc/86/22/85/630862285.db2.gz TUOKUHJCZXSSDR-OLZOCXBDSA-N 1 1 282.403 3.302 20 10 CGCDMO CCC[N@@H+](CC)C[C@@H](C)N[C@@H](C)c1cc(F)ccc1O ZINC000810262591 630862288 /nfs/dbraw/zinc/86/22/88/630862288.db2.gz TUOKUHJCZXSSDR-OLZOCXBDSA-N 1 1 282.403 3.302 20 10 CGCDMO CO[C@@](C)(C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)C1CC1 ZINC000812734702 631298924 /nfs/dbraw/zinc/29/89/24/631298924.db2.gz QZDMQFBZYXTOIK-VFZGTOFNSA-N 1 1 285.334 3.136 20 10 CGCDMO CC(C)[N@@H+](Cc1cc(Cl)ccc1O)[C@H]1CCOC1 ZINC000812776371 631305266 /nfs/dbraw/zinc/30/52/66/631305266.db2.gz KHNWHPHLVSVAFD-ZDUSSCGKSA-N 1 1 269.772 3.045 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCOC1)c1cccc(C(F)(F)F)c1O ZINC000815565342 631796925 /nfs/dbraw/zinc/79/69/25/631796925.db2.gz LETMAGLCEUOOBQ-UWVGGRQHSA-N 1 1 289.297 3.098 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+](C)Cc2conc2C)cc1 ZINC000816482503 631988860 /nfs/dbraw/zinc/98/88/60/631988860.db2.gz IFFWSSBMJNIAJL-UHFFFAOYSA-N 1 1 287.407 3.461 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2conc2C)cc1 ZINC000816482503 631988865 /nfs/dbraw/zinc/98/88/65/631988865.db2.gz IFFWSSBMJNIAJL-UHFFFAOYSA-N 1 1 287.407 3.461 20 10 CGCDMO CC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816481486 631990317 /nfs/dbraw/zinc/99/03/17/631990317.db2.gz XWYXDBHIOBSHSD-UHFFFAOYSA-N 1 1 257.736 3.417 20 10 CGCDMO OCC[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816504585 631996131 /nfs/dbraw/zinc/99/61/31/631996131.db2.gz SRERHPYVRIEWEP-AWEZNQCLSA-N 1 1 285.387 3.140 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccccc1 ZINC000816529023 632004187 /nfs/dbraw/zinc/00/41/87/632004187.db2.gz CXGBXZFAKFPEJC-UHFFFAOYSA-N 1 1 265.715 3.475 20 10 CGCDMO C[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])C[NH+]1CCCC1 ZINC000816535930 632006061 /nfs/dbraw/zinc/00/60/61/632006061.db2.gz GKOAQRXBIXTUQQ-HNNXBMFYSA-N 1 1 298.430 3.367 20 10 CGCDMO CC(C)(C)C[C@@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816551312 632008768 /nfs/dbraw/zinc/00/87/68/632008768.db2.gz XEFCGDWFYNJNGU-SNVBAGLBSA-N 1 1 289.778 3.071 20 10 CGCDMO C[N@H+](Cc1ccncc1)Cc1cc(Cl)c(F)cc1O ZINC000816568812 632015103 /nfs/dbraw/zinc/01/51/03/632015103.db2.gz QWGOIOIQFVLTGR-UHFFFAOYSA-N 1 1 280.730 3.212 20 10 CGCDMO C[N@@H+](Cc1ccncc1)Cc1cc(Cl)c(F)cc1O ZINC000816568812 632015110 /nfs/dbraw/zinc/01/51/10/632015110.db2.gz QWGOIOIQFVLTGR-UHFFFAOYSA-N 1 1 280.730 3.212 20 10 CGCDMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H]1CCCOC1 ZINC000816566014 632015312 /nfs/dbraw/zinc/01/53/12/632015312.db2.gz IUURDUYQBJYOEL-ZJUUUORDSA-N 1 1 287.762 3.089 20 10 CGCDMO Cc1noc([C@H](C)[NH2+]Cc2ccc3ccccc3c2O)n1 ZINC000816590106 632019454 /nfs/dbraw/zinc/01/94/54/632019454.db2.gz RJLSHSORYQRLAE-JTQLQIEISA-N 1 1 283.331 3.088 20 10 CGCDMO C[C@H]1CSC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816609313 632022408 /nfs/dbraw/zinc/02/24/08/632022408.db2.gz XMBUIURXGDZJEI-WRWORJQWSA-N 1 1 275.776 3.026 20 10 CGCDMO CCOCC(C)(C)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816613342 632024148 /nfs/dbraw/zinc/02/41/48/632024148.db2.gz QPINPTLGOGMHOW-UHFFFAOYSA-N 1 1 289.778 3.337 20 10 CGCDMO C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817960744 632256660 /nfs/dbraw/zinc/25/66/60/632256660.db2.gz QYQCWMGZYZLLRM-JMCQJSRRSA-N 1 1 289.206 3.087 20 10 CGCDMO CC[C@H]([NH2+]C[C@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1[O-] ZINC000817962004 632257662 /nfs/dbraw/zinc/25/76/62/632257662.db2.gz GFLLTRNUVQMYHV-SKDRFNHKSA-N 1 1 290.329 3.047 20 10 CGCDMO CC[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000817964665 632258628 /nfs/dbraw/zinc/25/86/28/632258628.db2.gz HUDVLPGTCOBQHA-CQSZACIVSA-N 1 1 296.842 3.476 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)CCC[NH3+])c1cc(Cl)ccc1[O-] ZINC000817977217 632269024 /nfs/dbraw/zinc/26/90/24/632269024.db2.gz DYUZUCKRWHDZKM-ZWNOBZJWSA-N 1 1 270.804 3.214 20 10 CGCDMO Cc1cc(N)cc(C[NH2+][C@@H](C)c2ccc(F)cc2O)c1 ZINC000817981353 632271643 /nfs/dbraw/zinc/27/16/43/632271643.db2.gz RISXVIBJDNGCEQ-NSHDSACASA-N 1 1 274.339 3.273 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1[O-] ZINC000817983053 632273121 /nfs/dbraw/zinc/27/31/21/632273121.db2.gz XSWJWDKYUSHYHB-DMDPSCGWSA-N 1 1 282.815 3.132 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(Cl)ccc1[O-] ZINC000817985476 632274984 /nfs/dbraw/zinc/27/49/84/632274984.db2.gz KLULDKOPATXMAX-WCQYABFASA-N 1 1 294.826 3.371 20 10 CGCDMO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(N(C)C)cc1 ZINC000818614538 632341351 /nfs/dbraw/zinc/34/13/51/632341351.db2.gz BWCKFDNQEZIGJG-BRWVUGGUSA-N 1 1 275.440 3.063 20 10 CGCDMO CC[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])c1ccc(N(C)C)cc1 ZINC000818614538 632341359 /nfs/dbraw/zinc/34/13/59/632341359.db2.gz BWCKFDNQEZIGJG-BRWVUGGUSA-N 1 1 275.440 3.063 20 10 CGCDMO CCC[C@H](CCO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000866414306 633127499 /nfs/dbraw/zinc/12/74/99/633127499.db2.gz CYDCDDVELIOHFS-CMPLNLGQSA-N 1 1 271.788 3.247 20 10 CGCDMO Cc1cccc(O)c1CN1CCC([NH+]2CCCCC2)CC1 ZINC000876562369 634857645 /nfs/dbraw/zinc/85/76/45/634857645.db2.gz OHQIBJLUSAJYDO-UHFFFAOYSA-N 1 1 288.435 3.151 20 10 CGCDMO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc(N(CC)CC)cc1 ZINC000824636865 633266272 /nfs/dbraw/zinc/26/62/72/633266272.db2.gz UNWGFVYIQJSVCP-WMZOPIPTSA-N 1 1 290.451 3.126 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000824696972 633275090 /nfs/dbraw/zinc/27/50/90/633275090.db2.gz WKDPZERVEBFOEC-LZLYRXPVSA-N 1 1 289.419 3.216 20 10 CGCDMO CO[C@H]([C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000825098252 633327753 /nfs/dbraw/zinc/32/77/53/633327753.db2.gz DZZLFQAWEFWHJK-XLKFXECMSA-N 1 1 287.762 3.088 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000825489236 633357619 /nfs/dbraw/zinc/35/76/19/633357619.db2.gz FXVKDYNYTUIQEK-CYBMUJFWSA-N 1 1 283.799 3.355 20 10 CGCDMO Cc1cccc(C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)c1O ZINC000828014265 633548560 /nfs/dbraw/zinc/54/85/60/633548560.db2.gz ZCHZAEHIDZMIGN-UHFFFAOYSA-N 1 1 285.391 3.008 20 10 CGCDMO CO[C@H](C)C[N@@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829767622 633779283 /nfs/dbraw/zinc/77/92/83/633779283.db2.gz AFORMGLPNAXBNX-MRXNPFEDSA-N 1 1 290.451 3.452 20 10 CGCDMO CCN(C)c1ccc(CN(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000832779086 634094703 /nfs/dbraw/zinc/09/47/03/634094703.db2.gz UIHVHUQDPXQDRN-GOSISDBHSA-N 1 1 289.467 3.057 20 10 CGCDMO CCN(C)c1ccc(C[N@H+](C)[C@@H]2CCN(C(C)C)C2)cc1 ZINC000832779086 634094708 /nfs/dbraw/zinc/09/47/08/634094708.db2.gz UIHVHUQDPXQDRN-GOSISDBHSA-N 1 1 289.467 3.057 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(C(C)C)C2)cc1 ZINC000832779086 634094710 /nfs/dbraw/zinc/09/47/10/634094710.db2.gz UIHVHUQDPXQDRN-GOSISDBHSA-N 1 1 289.467 3.057 20 10 CGCDMO CC[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1ccc(F)cc1O ZINC000834894292 634271796 /nfs/dbraw/zinc/27/17/96/634271796.db2.gz KBQPACIWZVGDLZ-BPNCWPANSA-N 1 1 289.354 3.475 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccc(F)cc1O ZINC000834909542 634284686 /nfs/dbraw/zinc/28/46/86/634284686.db2.gz LNPTVOMKRQVBSC-VXGBXAGGSA-N 1 1 281.371 3.387 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)[C@@H](CO)C(C)(C)C)cc1 ZINC000835028656 634325586 /nfs/dbraw/zinc/32/55/86/634325586.db2.gz OJWCXHZNIPXSSX-QWPQOLDESA-N 1 1 290.451 3.105 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+](CCCCO)C2CC2)cc1 ZINC000835027736 634325984 /nfs/dbraw/zinc/32/59/84/634325984.db2.gz GKPLKIRFUALXII-AATRIKPKSA-N 1 1 288.435 3.003 20 10 CGCDMO CO[C@H]1CCC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835046922 634333328 /nfs/dbraw/zinc/33/33/28/634333328.db2.gz AHTQTISVGDOWMX-JXTAAOLFSA-N 1 1 288.435 3.267 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)CCc2ccncc2)cc1 ZINC000835048779 634335055 /nfs/dbraw/zinc/33/50/55/634335055.db2.gz YOBQCASKTYWNLB-SNAWJCMRSA-N 1 1 295.430 3.335 20 10 CGCDMO CO[C@@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000835053786 634338110 /nfs/dbraw/zinc/33/81/10/634338110.db2.gz YLHBRDDUBJKVHJ-CDZANEANSA-N 1 1 288.435 3.265 20 10 CGCDMO CC[C@@H](C)C[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876611075 634867728 /nfs/dbraw/zinc/86/77/28/634867728.db2.gz QAZHZGPILXXSRV-OAHLLOKOSA-N 1 1 290.451 3.126 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000876654190 634875455 /nfs/dbraw/zinc/87/54/55/634875455.db2.gz YURQNQWHPAAUPM-UHFFFAOYSA-N 1 1 283.371 3.007 20 10 CGCDMO CCN1CC[C@@H]([N@H+](C)Cc2c(C)cccc2O)C[C@@H]1C ZINC000876759707 634894011 /nfs/dbraw/zinc/89/40/11/634894011.db2.gz QOUGAPIIHRHZAM-LSDHHAIUSA-N 1 1 276.424 3.005 20 10 CGCDMO CCN1CC[C@@H]([N@@H+](C)Cc2c(C)cccc2O)C[C@@H]1C ZINC000876759707 634894013 /nfs/dbraw/zinc/89/40/13/634894013.db2.gz QOUGAPIIHRHZAM-LSDHHAIUSA-N 1 1 276.424 3.005 20 10 CGCDMO CSC[C@H]1CCC[N@H+]1Cc1ccc(C)cc1O ZINC000876776919 634898186 /nfs/dbraw/zinc/89/81/86/634898186.db2.gz JBYFHWIMYZCGTM-CYBMUJFWSA-N 1 1 251.395 3.028 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000877477347 635050848 /nfs/dbraw/zinc/05/08/48/635050848.db2.gz BGYVVJCJYFVOBN-LLVKDONJSA-N 1 1 273.298 3.475 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1ccc(F)cc1O ZINC000840816672 635057940 /nfs/dbraw/zinc/05/79/40/635057940.db2.gz XHPHARVPFZFABH-GXFFZTMASA-N 1 1 277.343 3.067 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccc(F)cc1O ZINC000840860549 635067513 /nfs/dbraw/zinc/06/75/13/635067513.db2.gz UPNKUWCPHDGWIA-CDMKHQONSA-N 1 1 269.385 3.466 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](CC)c1ccc(F)cc1O)[C@@H](O)C(C)C ZINC000840881665 635072404 /nfs/dbraw/zinc/07/24/04/635072404.db2.gz IRNWRTOKDMTRIU-LZWOXQAQSA-N 1 1 283.387 3.368 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)c1csnn1)c1ccc(C)cc1O ZINC000840885304 635074615 /nfs/dbraw/zinc/07/46/15/635074615.db2.gz BKAZZOSAZSICCL-JQWIXIFHSA-N 1 1 277.393 3.354 20 10 CGCDMO Cc1cc(N(C)C)ccc1CNCCC[NH+]1CCCCC1 ZINC000840928276 635084185 /nfs/dbraw/zinc/08/41/85/635084185.db2.gz NRMRIVPCKWIFEX-UHFFFAOYSA-N 1 1 289.467 3.027 20 10 CGCDMO COC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1ccco1 ZINC000840935430 635085161 /nfs/dbraw/zinc/08/51/61/635085161.db2.gz PEIPXAPLDRMZCG-INIZCTEOSA-N 1 1 288.391 3.131 20 10 CGCDMO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)s1 ZINC000840940238 635087278 /nfs/dbraw/zinc/08/72/78/635087278.db2.gz XKRJQOIFLVKWAF-LLVKDONJSA-N 1 1 290.436 3.072 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000840942666 635088774 /nfs/dbraw/zinc/08/87/74/635088774.db2.gz RXHAYJUSMQDOCD-QGZVFWFLSA-N 1 1 295.430 3.446 20 10 CGCDMO CC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@@H](O)C(C)C ZINC000840967568 635096089 /nfs/dbraw/zinc/09/60/89/635096089.db2.gz HRWZYCVZGYOPRK-RISCZKNCSA-N 1 1 289.778 3.070 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@H](c3cccnc3)C2)c(O)c1 ZINC000877604201 635107390 /nfs/dbraw/zinc/10/73/90/635107390.db2.gz JIQFOFXYPAWLJN-HNNXBMFYSA-N 1 1 268.360 3.085 20 10 CGCDMO COc1ccc2c(c1)C[N@H+](Cc1c(C)cccc1O)C2 ZINC000877618671 635115989 /nfs/dbraw/zinc/11/59/89/635115989.db2.gz BXMGJOYQMMYNKM-UHFFFAOYSA-N 1 1 269.344 3.225 20 10 CGCDMO CCN(CC)c1ccc(CNC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000841058640 635116622 /nfs/dbraw/zinc/11/66/22/635116622.db2.gz ZSIYSCJYCJEQJP-GOSISDBHSA-N 1 1 289.467 3.012 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000877633622 635124397 /nfs/dbraw/zinc/12/43/97/635124397.db2.gz OAZJOGPMKWZVIQ-MAUKXSAKSA-N 1 1 289.419 3.482 20 10 CGCDMO C[C@@H]([NH2+]Cc1coc(C2CC2)n1)c1ccccc1O ZINC000877756500 635185618 /nfs/dbraw/zinc/18/56/18/635185618.db2.gz NDELGKYLTXNRIN-SNVBAGLBSA-N 1 1 258.321 3.108 20 10 CGCDMO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841743938 635222017 /nfs/dbraw/zinc/22/20/17/635222017.db2.gz DLWKSTNHGBJIAX-MNOVXSKESA-N 1 1 298.814 3.001 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(Cl)cc1O ZINC000841744774 635222486 /nfs/dbraw/zinc/22/24/86/635222486.db2.gz LAQDAKJSDGCKEU-MNOVXSKESA-N 1 1 269.772 3.123 20 10 CGCDMO CCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841744769 635222691 /nfs/dbraw/zinc/22/26/91/635222691.db2.gz SQXKTFJQSKXWBA-YPMHNXCESA-N 1 1 282.815 3.181 20 10 CGCDMO CSCCC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841764626 635234455 /nfs/dbraw/zinc/23/44/55/635234455.db2.gz QUQFXKRZDRHTBT-VIFPVBQESA-N 1 1 259.802 3.449 20 10 CGCDMO COCCCC[N@@H+](C)Cc1ccc2ccccc2c1O ZINC000841893264 635249436 /nfs/dbraw/zinc/24/94/36/635249436.db2.gz CBSGWITVJMNFRS-UHFFFAOYSA-N 1 1 273.376 3.404 20 10 CGCDMO COCC1(CC[NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000842728046 635451348 /nfs/dbraw/zinc/45/13/48/635451348.db2.gz APEDMMZBUWOQRD-UHFFFAOYSA-N 1 1 287.762 3.091 20 10 CGCDMO CCC[N@H+](Cc1cc(Cl)cc(C)c1[O-])C1CC[NH2+]CC1 ZINC000843044547 635549175 /nfs/dbraw/zinc/54/91/75/635549175.db2.gz IHXQEWSJSURHLN-UHFFFAOYSA-N 1 1 296.842 3.318 20 10 CGCDMO CCC[N@@H+](Cc1cc(Cl)cc(C)c1[O-])C1CC[NH2+]CC1 ZINC000843044547 635549178 /nfs/dbraw/zinc/54/91/78/635549178.db2.gz IHXQEWSJSURHLN-UHFFFAOYSA-N 1 1 296.842 3.318 20 10 CGCDMO Oc1c(Cl)cccc1CN1CCC([NH2+]CC2CC2)CC1 ZINC000843054107 635551841 /nfs/dbraw/zinc/55/18/41/635551841.db2.gz DDXFWFMEXLPGMJ-UHFFFAOYSA-N 1 1 294.826 3.010 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)ccc1N(C)C ZINC000844469042 635910969 /nfs/dbraw/zinc/91/09/69/635910969.db2.gz UDYRMNOWLIKRCP-OAHLLOKOSA-N 1 1 280.362 3.292 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(C)c(C)cc2O)[C@H](C)CO1 ZINC000844729335 635957684 /nfs/dbraw/zinc/95/76/84/635957684.db2.gz HSXRYMFUESTGKS-HIFRSBDPSA-N 1 1 263.381 3.008 20 10 CGCDMO CC(C)O[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000846013558 636128920 /nfs/dbraw/zinc/12/89/20/636128920.db2.gz CLLBIIQRFBSSEO-HNNXBMFYSA-N 1 1 294.414 3.281 20 10 CGCDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000846013561 636130029 /nfs/dbraw/zinc/13/00/29/636130029.db2.gz CLLBIIQRFBSSEO-OAHLLOKOSA-N 1 1 294.414 3.281 20 10 CGCDMO CCOc1ccc(C[N@H+]2C[C@@H](CC)OC[C@@H]2CC)c(O)c1 ZINC000846027787 636131861 /nfs/dbraw/zinc/13/18/61/636131861.db2.gz QVAZJDVLORYSQQ-LSDHHAIUSA-N 1 1 293.407 3.180 20 10 CGCDMO CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)[C@H]1CCCOC1 ZINC000846052635 636139279 /nfs/dbraw/zinc/13/92/79/636139279.db2.gz PLPWBGVTYOJTTR-FZMUQLTDSA-N 1 1 288.435 3.267 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c1O ZINC000846104323 636142986 /nfs/dbraw/zinc/14/29/86/636142986.db2.gz HBVVFBKOZGLADC-CQSZACIVSA-N 1 1 267.319 3.322 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(C)cn1 ZINC000129189404 636194720 /nfs/dbraw/zinc/19/47/20/636194720.db2.gz CYTFZJPYGMVWTQ-UHFFFAOYSA-N 1 1 283.419 3.478 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H]2CCSC2)cc1 ZINC000130626621 636486385 /nfs/dbraw/zinc/48/63/85/636486385.db2.gz GUTDWLHFDUNIRA-INIZCTEOSA-N 1 1 278.465 3.470 20 10 CGCDMO CCc1cccc(C[N@@H+](CC)Cc2ccccn2)c1O ZINC000848884705 636673157 /nfs/dbraw/zinc/67/31/57/636673157.db2.gz ORYJUFCWXKADIZ-UHFFFAOYSA-N 1 1 270.376 3.372 20 10 CGCDMO CCc1cccc(C[N@@H+](CCCO)Cc2ccccc2)c1O ZINC000848887048 636675368 /nfs/dbraw/zinc/67/53/68/636675368.db2.gz ZVLHEFYHXAKXBJ-UHFFFAOYSA-N 1 1 299.414 3.339 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@H]2C2CCOCC2)c1O ZINC000848900943 636681440 /nfs/dbraw/zinc/68/14/40/636681440.db2.gz RVBWVRRLZUPZPM-KRWDZBQOSA-N 1 1 289.419 3.346 20 10 CGCDMO CCc1cccc(C[N@@H+](C)[C@H](CO)CC(C)(C)C)c1O ZINC000848915067 636688890 /nfs/dbraw/zinc/68/88/90/636688890.db2.gz RYDWHQIXCLGGBD-HNNXBMFYSA-N 1 1 279.424 3.184 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1O ZINC000848916865 636690345 /nfs/dbraw/zinc/69/03/45/636690345.db2.gz YAFODCIFAXYZBT-BRWVUGGUSA-N 1 1 289.419 3.080 20 10 CGCDMO CCOc1ccc(C[N@@H+]2Cc3ccc(OC)cc3C2)c(O)c1 ZINC000848926497 636699176 /nfs/dbraw/zinc/69/91/76/636699176.db2.gz ZCDJPNXBPGGOQT-UHFFFAOYSA-N 1 1 299.370 3.315 20 10 CGCDMO CCOc1ccc(C[N@H+]2Cc3ccc(OC)cc3C2)c(O)c1 ZINC000848926497 636699178 /nfs/dbraw/zinc/69/91/78/636699178.db2.gz ZCDJPNXBPGGOQT-UHFFFAOYSA-N 1 1 299.370 3.315 20 10 CGCDMO CC[C@@H](O)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000850528651 637106398 /nfs/dbraw/zinc/10/63/98/637106398.db2.gz JKRHUZUDONBZSI-HTQZYQBOSA-N 1 1 278.179 3.121 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@]2(C)CC2(C)C)c1 ZINC000850556173 637120333 /nfs/dbraw/zinc/12/03/33/637120333.db2.gz QEQHAQOEVLXYQZ-MGPLVRAMSA-N 1 1 277.364 3.018 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H]1C[C@]12CCOC2 ZINC000886027863 637373873 /nfs/dbraw/zinc/37/38/73/637373873.db2.gz JPUAWOFVMSXKCQ-WBVHZDCISA-N 1 1 275.392 3.031 20 10 CGCDMO C[N@@H+](CCOC1CCCCC1)Cc1ccccc1O ZINC000886065060 637397311 /nfs/dbraw/zinc/39/73/11/637397311.db2.gz OPJMIJKXPCSNAR-UHFFFAOYSA-N 1 1 263.381 3.173 20 10 CGCDMO CC(C)[N@@H+](CCOC(F)F)Cc1ccc(N(C)C)cc1 ZINC000851732859 637482747 /nfs/dbraw/zinc/48/27/47/637482747.db2.gz ZEEWHFJYXOEOAE-UHFFFAOYSA-N 1 1 286.366 3.202 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000886316809 637497145 /nfs/dbraw/zinc/49/71/45/637497145.db2.gz NQPYTAQCCDNDCR-ZDUSSCGKSA-N 1 1 297.345 3.109 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1c(O)cccc1F ZINC000886489145 637538795 /nfs/dbraw/zinc/53/87/95/637538795.db2.gz AWLRNROHOVEQJX-YPMHNXCESA-N 1 1 292.354 3.078 20 10 CGCDMO C[C@H](CN1CCCCC1)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886501756 637543566 /nfs/dbraw/zinc/54/35/66/637543566.db2.gz XKOAZJGFFAHHKI-OLZOCXBDSA-N 1 1 280.387 3.056 20 10 CGCDMO Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886526259 637553218 /nfs/dbraw/zinc/55/32/18/637553218.db2.gz IFJDZEUSXNTFOY-WBMJQRKESA-N 1 1 289.350 3.224 20 10 CGCDMO CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2c(O)cccc2F)CCO1 ZINC000886542560 637567824 /nfs/dbraw/zinc/56/78/24/637567824.db2.gz BQYPAMGVMPUGLC-YWPYICTPSA-N 1 1 281.371 3.386 20 10 CGCDMO C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1c(O)cccc1F ZINC000886547283 637573358 /nfs/dbraw/zinc/57/33/58/637573358.db2.gz IMWMFDXNLYQMAU-YGRLFVJLSA-N 1 1 293.313 3.055 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1c(O)cccc1F ZINC000886559754 637580994 /nfs/dbraw/zinc/58/09/94/637580994.db2.gz CTIVFFWIBBTTCZ-WRWGMCAJSA-N 1 1 267.344 3.138 20 10 CGCDMO CCOCC(C)(C)C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886611061 637604789 /nfs/dbraw/zinc/60/47/89/637604789.db2.gz RNAMKPCALJMXCW-LLVKDONJSA-N 1 1 269.360 3.245 20 10 CGCDMO COCC1(CC[NH2+][C@H](C)c2c(O)cccc2F)CCC1 ZINC000886616203 637609380 /nfs/dbraw/zinc/60/93/80/637609380.db2.gz WUPZFMYZGBYJQU-GFCCVEGCSA-N 1 1 281.371 3.389 20 10 CGCDMO COC1CCC([NH2+][C@@H](C)c2c(O)cccc2F)CC1 ZINC000886623446 637614157 /nfs/dbraw/zinc/61/41/57/637614157.db2.gz DKGBFRQQNLTIJJ-UNXYVOJBSA-N 1 1 267.344 3.140 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1c(O)cccc1F ZINC000886623427 637614943 /nfs/dbraw/zinc/61/49/43/637614943.db2.gz DCMSTRBBRXRESH-RYUDHWBXSA-N 1 1 281.371 3.387 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1c(O)cccc1F ZINC000886629655 637618336 /nfs/dbraw/zinc/61/83/36/637618336.db2.gz KSZUAROZKUJAMH-DTWKUNHWSA-N 1 1 261.287 3.473 20 10 CGCDMO CC[C@H](COCC1CC1)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886636114 637621216 /nfs/dbraw/zinc/62/12/16/637621216.db2.gz GKMPGFYQVGARAK-WCQYABFASA-N 1 1 281.371 3.387 20 10 CGCDMO C[C@H](C[NH2+][C@@H](C)c1c(O)cccc1F)c1ccccn1 ZINC000886634381 637621542 /nfs/dbraw/zinc/62/15/42/637621542.db2.gz CORVPURZGKRLCH-NEPJUHHUSA-N 1 1 274.339 3.381 20 10 CGCDMO CCC[C@H](C[NH2+][C@@H](C)c1c(O)cccc1F)OCC ZINC000886641819 637624998 /nfs/dbraw/zinc/62/49/98/637624998.db2.gz SNJMLLKFSYFEQH-NWDGAFQWSA-N 1 1 269.360 3.387 20 10 CGCDMO C[C@H]([NH2+]CCC1SCCS1)c1c(O)cccc1F ZINC000886639590 637625167 /nfs/dbraw/zinc/62/51/67/637625167.db2.gz GTUDBYLOWRPNKW-VIFPVBQESA-N 1 1 287.425 3.378 20 10 CGCDMO Cc1cc(C[N@@H+](C)CC2=CCSC2)ccc1N(C)C ZINC000852747568 637705046 /nfs/dbraw/zinc/70/50/46/637705046.db2.gz OGKHSCCYSNXKSX-UHFFFAOYSA-N 1 1 276.449 3.166 20 10 CGCDMO C[C@@H]([NH2+]CCOCCF)c1cccc(C(F)(F)F)c1O ZINC000853238743 637790426 /nfs/dbraw/zinc/79/04/26/637790426.db2.gz PNQYBWVVIDXEGN-SECBINFHSA-N 1 1 295.276 3.048 20 10 CGCDMO Cc1nc(C[N@@H+](C)Cc2ccccc2O)nc2ccccc12 ZINC000111235071 637804279 /nfs/dbraw/zinc/80/42/79/637804279.db2.gz VJPORRVEIYTWRY-UHFFFAOYSA-N 1 1 293.370 3.276 20 10 CGCDMO Cc1nc(C[N@H+](C)Cc2ccccc2O)nc2ccccc12 ZINC000111235071 637804281 /nfs/dbraw/zinc/80/42/81/637804281.db2.gz VJPORRVEIYTWRY-UHFFFAOYSA-N 1 1 293.370 3.276 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)cc1C(C)C ZINC000853566099 637868039 /nfs/dbraw/zinc/86/80/39/637868039.db2.gz LSQCUVNGKBPIQK-MAUKXSAKSA-N 1 1 289.419 3.292 20 10 CGCDMO CCC1([NH3+])CCN([C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000925761266 638601323 /nfs/dbraw/zinc/60/13/23/638601323.db2.gz YADWTPJUUYEWRG-LLVKDONJSA-N 1 1 282.815 3.310 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(F)cc(F)c1[O-] ZINC000858490525 638740654 /nfs/dbraw/zinc/74/06/54/638740654.db2.gz JTMHVVYMYBLHBN-VXGBXAGGSA-N 1 1 298.377 3.053 20 10 CGCDMO C[C@@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1c(O)cccc1F ZINC000926916966 638824896 /nfs/dbraw/zinc/82/48/96/638824896.db2.gz VQHPAVHOVMCBBN-DJSGYFEHSA-N 1 1 279.355 3.141 20 10 CGCDMO C[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccc(N(C)C)cc1 ZINC000927113942 638843678 /nfs/dbraw/zinc/84/36/78/638843678.db2.gz PVIWRPBNSZAQPH-ZDUSSCGKSA-N 1 1 298.434 3.214 20 10 CGCDMO C[C@@H]1CSCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000934299910 639576099 /nfs/dbraw/zinc/57/60/99/639576099.db2.gz XXPSWCMQSKRCRZ-CYBMUJFWSA-N 1 1 264.438 3.080 20 10 CGCDMO CCO[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000155457425 639935538 /nfs/dbraw/zinc/93/55/38/639935538.db2.gz BPGDDMIEHROCIR-NSHDSACASA-N 1 1 269.772 3.047 20 10 CGCDMO CCO[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000155457314 639935855 /nfs/dbraw/zinc/93/58/55/639935855.db2.gz BPGDDMIEHROCIR-LLVKDONJSA-N 1 1 269.772 3.047 20 10 CGCDMO CCCC[N@@H+](CC)Cc1cc(OC)c(C)cc1O ZINC000159751143 640067440 /nfs/dbraw/zinc/06/74/40/640067440.db2.gz IHRRLLCVNDADEB-UHFFFAOYSA-N 1 1 251.370 3.331 20 10 CGCDMO CCCC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)C1CC1 ZINC000048995277 640078207 /nfs/dbraw/zinc/07/82/07/640078207.db2.gz OGVCNHZUESJQKX-UHFFFAOYSA-N 1 1 279.355 3.498 20 10 CGCDMO CCCC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)C1CC1 ZINC000048995277 640078214 /nfs/dbraw/zinc/07/82/14/640078214.db2.gz OGVCNHZUESJQKX-UHFFFAOYSA-N 1 1 279.355 3.498 20 10 CGCDMO COc1cc(C[N@H+]2CCS[C@H](C)[C@H]2C)c(O)cc1C ZINC000245542146 640625311 /nfs/dbraw/zinc/62/53/11/640625311.db2.gz PLFVIFAKGXEPJP-VXGBXAGGSA-N 1 1 281.421 3.035 20 10 CGCDMO CC[C@H]1COCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000091980250 640727888 /nfs/dbraw/zinc/72/78/88/640727888.db2.gz MNBLMTDWGXIHJV-KRWDZBQOSA-N 1 1 288.435 3.288 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)c1 ZINC000248376085 640754404 /nfs/dbraw/zinc/75/44/04/640754404.db2.gz ZDTOCLVRQXSXHO-VBNZEHGJSA-N 1 1 275.392 3.411 20 10 CGCDMO CCC[N@H+](Cc1cccc(OC)c1O)C[C@H]1CCCCO1 ZINC000093132450 640758285 /nfs/dbraw/zinc/75/82/85/640758285.db2.gz PCHRVTOBQPYWGK-OAHLLOKOSA-N 1 1 293.407 3.182 20 10 CGCDMO CCOc1cccc(C[N@@H+](CC)Cc2ccccn2)c1O ZINC000093338765 640768261 /nfs/dbraw/zinc/76/82/61/640768261.db2.gz NPWKRMGJZDCXLJ-UHFFFAOYSA-N 1 1 286.375 3.208 20 10 CGCDMO C[C@@H]1OCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@H]1C ZINC000093417769 640770835 /nfs/dbraw/zinc/77/08/35/640770835.db2.gz ZFRLHTRQCZRKNS-HOTGVXAUSA-N 1 1 288.435 3.286 20 10 CGCDMO COc1cccc(C[N@H+]2C[C@H](C)CCC[C@@H]2C)c1O ZINC000093509255 640773981 /nfs/dbraw/zinc/77/39/81/640773981.db2.gz POTODADVWBDOCS-OLZOCXBDSA-N 1 1 263.381 3.411 20 10 CGCDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(OC)c2O)C1(C)C ZINC000093605313 640776585 /nfs/dbraw/zinc/77/65/85/640776585.db2.gz WKSMNGWKOIUBRE-HUUCEWRRSA-N 1 1 293.407 3.036 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](CC(=O)OC(C)(C)C)C(C)C)c1 ZINC000093692586 640780000 /nfs/dbraw/zinc/78/00/00/640780000.db2.gz HCGZPRKNEPNQAZ-UHFFFAOYSA-N 1 1 293.407 3.253 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](CC(=O)OC(C)(C)C)C(C)C)c1 ZINC000093692586 640780005 /nfs/dbraw/zinc/78/00/05/640780005.db2.gz HCGZPRKNEPNQAZ-UHFFFAOYSA-N 1 1 293.407 3.253 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H]1CC[C@@H](C)O1 ZINC000248867952 640783914 /nfs/dbraw/zinc/78/39/14/640783914.db2.gz CIAVHKPQWHLXQF-HIFRSBDPSA-N 1 1 263.381 3.172 20 10 CGCDMO Cc1cc(F)ccc1[C@@H](O)C[N@H+](C)Cc1ccccc1O ZINC000304478537 640863848 /nfs/dbraw/zinc/86/38/48/640863848.db2.gz AHAIILSIGUUHDU-KRWDZBQOSA-N 1 1 289.350 3.005 20 10 CGCDMO Cc1c[nH+]c(N2CCCc3cc(O)c(O)cc3C2)c(C)c1 ZINC001155941718 805626591 /nfs/dbraw/zinc/62/65/91/805626591.db2.gz WRXPBHYSLSNXTL-UHFFFAOYSA-N 1 1 284.359 3.062 20 10 CGCDMO CC[C@@H](C)[NH2+]Cc1cc(Cl)c2cccnc2c1O ZINC001257430045 807152480 /nfs/dbraw/zinc/15/24/80/807152480.db2.gz FFYJBKMAWTUYFT-SECBINFHSA-N 1 1 264.756 3.482 20 10 CGCDMO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2cc3c(cc2O)OCO3)C1 ZINC000025484194 798839159 /nfs/dbraw/zinc/83/91/59/798839159.db2.gz NMSKSZNXZGPKBV-YPMHNXCESA-N 1 1 277.364 3.131 20 10 CGCDMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000092762397 798959095 /nfs/dbraw/zinc/95/90/95/798959095.db2.gz MXMMBFKBLDODAJ-JKSUJKDBSA-N 1 1 288.435 3.144 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000689884693 799770664 /nfs/dbraw/zinc/77/06/64/799770664.db2.gz XABZGEZVBNHSMX-LLVKDONJSA-N 1 1 255.308 3.103 20 10 CGCDMO C[C@H]([NH2+]CC[C@H]1CCSC1)c1ccc(F)cc1O ZINC000704791469 799940895 /nfs/dbraw/zinc/94/08/95/799940895.db2.gz UVIIJNBVRCLKBX-QWRGUYRKSA-N 1 1 269.385 3.325 20 10 CGCDMO CCOC1(C)CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000708434800 799988035 /nfs/dbraw/zinc/98/80/35/799988035.db2.gz UNKSZUXSNSOAFP-UHFFFAOYSA-N 1 1 285.334 3.061 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@](C)(C(F)(F)F)C2)c1O ZINC000708615808 799991960 /nfs/dbraw/zinc/99/19/60/799991960.db2.gz ANCCGXBABROMSJ-ZDUSSCGKSA-N 1 1 289.297 3.175 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000720504645 800260542 /nfs/dbraw/zinc/26/05/42/800260542.db2.gz ZWAREGNZSGXBOK-ZDUSSCGKSA-N 1 1 271.360 3.156 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC001119394616 802659036 /nfs/dbraw/zinc/65/90/36/802659036.db2.gz YJMSMHDVRKNFIP-OKILXGFUSA-N 1 1 285.412 3.340 20 10 CGCDMO Nc1ccc(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)cc1 ZINC001120268414 802737363 /nfs/dbraw/zinc/73/73/63/802737363.db2.gz DMEASZFZKZGPLN-LJQANCHMSA-N 1 1 296.414 3.102 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCCCC23CC3)c1O ZINC001203613618 812406454 /nfs/dbraw/zinc/40/64/54/812406454.db2.gz BUNOPYDOXPUGDK-UHFFFAOYSA-N 1 1 261.365 3.309 20 10 CGCDMO C[C@H](C[N@@H+](C)Cc1ccc(N(C)C)cc1)C(F)(F)F ZINC001208892549 813885247 /nfs/dbraw/zinc/88/52/47/813885247.db2.gz SBQUJDUQXCFEED-LLVKDONJSA-N 1 1 274.330 3.383 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001137837330 803780766 /nfs/dbraw/zinc/78/07/66/803780766.db2.gz BLINJMUMIKSZTN-CQSZACIVSA-N 1 1 286.350 3.133 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001137837330 803780771 /nfs/dbraw/zinc/78/07/71/803780771.db2.gz BLINJMUMIKSZTN-CQSZACIVSA-N 1 1 286.350 3.133 20 10 CGCDMO Cc1c(C[N@H+]2CC[C@@]3(CCCO3)C2)c2ccccc2n1C ZINC001138252577 803879891 /nfs/dbraw/zinc/87/98/91/803879891.db2.gz MIMZSHPZSCJRHD-SFHVURJKSA-N 1 1 284.403 3.242 20 10 CGCDMO CCO[C@H]1CCC[N@@H+](Cc2c(C)n(C)c3ccccc32)C1 ZINC001138256797 803882368 /nfs/dbraw/zinc/88/23/68/803882368.db2.gz LCTWCCQFZQQAJE-HNNXBMFYSA-N 1 1 286.419 3.488 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CCC4(CC4)C3)ccc21 ZINC001138354802 803901310 /nfs/dbraw/zinc/90/13/10/803901310.db2.gz VKVYLUYTJZSHGQ-UHFFFAOYSA-N 1 1 256.393 3.055 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@H](F)C[C@H]2C)c(OC)c1 ZINC001138386161 803913514 /nfs/dbraw/zinc/91/35/14/803913514.db2.gz IDJDHKQFXYFBPR-UKRRQHHQSA-N 1 1 294.414 3.474 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](F)C[C@H]2C)c(OC)c1 ZINC001138386161 803913519 /nfs/dbraw/zinc/91/35/19/803913519.db2.gz IDJDHKQFXYFBPR-UKRRQHHQSA-N 1 1 294.414 3.474 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cnc3[nH]ccc3c2)cc1 ZINC001138740475 804026864 /nfs/dbraw/zinc/02/68/64/804026864.db2.gz YAENBKBPLOYUSI-UHFFFAOYSA-N 1 1 294.402 3.261 20 10 CGCDMO CCC[N@H+](CCCN(C)C)Cc1ccc(N(C)C)c(C)c1 ZINC001139673432 804248415 /nfs/dbraw/zinc/24/84/15/804248415.db2.gz GXYXDMLLDFKGQB-UHFFFAOYSA-N 1 1 291.483 3.225 20 10 CGCDMO CCC[N@@H+](CCCN(C)C)Cc1ccc(N(C)C)c(C)c1 ZINC001139673432 804248423 /nfs/dbraw/zinc/24/84/23/804248423.db2.gz GXYXDMLLDFKGQB-UHFFFAOYSA-N 1 1 291.483 3.225 20 10 CGCDMO [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC001139684533 804253249 /nfs/dbraw/zinc/25/32/49/804253249.db2.gz YFAYQJRZRSKAFL-LBPRGKRZSA-N 1 1 290.313 3.055 20 10 CGCDMO COc1ccc(CN[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc1C ZINC001246343938 804296427 /nfs/dbraw/zinc/29/64/27/804296427.db2.gz CUYKRXFMWAPGPJ-NVXWUHKLSA-N 1 1 290.451 3.260 20 10 CGCDMO CCCC[C@@H]1C[C@H](NCc2ccc(OC)c(C)c2)CC[NH2+]1 ZINC001246346558 804297711 /nfs/dbraw/zinc/29/77/11/804297711.db2.gz NVJJIVGJFHTPDO-IAGOWNOFSA-N 1 1 290.451 3.404 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1cncc3ccccc31)CC2 ZINC001139896498 804321623 /nfs/dbraw/zinc/32/16/23/804321623.db2.gz BBLCJWQXPOYIIQ-UHFFFAOYSA-N 1 1 290.366 3.499 20 10 CGCDMO C[N@@H+](CC/C=C/c1cccnc1)Cc1cc(F)ccc1O ZINC001140058472 804365879 /nfs/dbraw/zinc/36/58/79/804365879.db2.gz BPDACBUNWWOLNP-GORDUTHDSA-N 1 1 286.350 3.462 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(F)n1 ZINC001140135821 804384911 /nfs/dbraw/zinc/38/49/11/804384911.db2.gz UNLAFWWBDZIRBY-UHFFFAOYSA-N 1 1 287.382 3.309 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCC[C@@H]2CN2CCCC2)c1O ZINC001140182570 804395803 /nfs/dbraw/zinc/39/58/03/804395803.db2.gz VRHCWHXNBIVLBP-MRXNPFEDSA-N 1 1 288.435 3.069 20 10 CGCDMO Cc1ccc(C)c(CN2CCC[C@@H]2C[NH+]2CCCC2)c1O ZINC001140182570 804395813 /nfs/dbraw/zinc/39/58/13/804395813.db2.gz VRHCWHXNBIVLBP-MRXNPFEDSA-N 1 1 288.435 3.069 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCn3cccc3[C@H]2C)c1O ZINC001140183768 804395883 /nfs/dbraw/zinc/39/58/83/804395883.db2.gz IPFHGDCJVGCOPC-CQSZACIVSA-N 1 1 270.376 3.387 20 10 CGCDMO COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1c(C)ccc(C)c1O)C2 ZINC001140180916 804396693 /nfs/dbraw/zinc/39/66/93/804396693.db2.gz OHIDBQAHXBYUEV-QAPCUYQASA-N 1 1 289.419 3.258 20 10 CGCDMO O=C1CC[N@@H+](Cc2c(O)cccc2Cl)[C@@H]2CCCC[C@@H]12 ZINC001140337908 804417707 /nfs/dbraw/zinc/41/77/07/804417707.db2.gz MHVBGUDKYYMHPE-BXUZGUMPSA-N 1 1 293.794 3.379 20 10 CGCDMO O=C1CC[N@H+](Cc2c(O)cccc2Cl)[C@@H]2CCCC[C@@H]12 ZINC001140337908 804417712 /nfs/dbraw/zinc/41/77/12/804417712.db2.gz MHVBGUDKYYMHPE-BXUZGUMPSA-N 1 1 293.794 3.379 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)C2(CC2)C1 ZINC001140342194 804420887 /nfs/dbraw/zinc/42/08/87/804420887.db2.gz WVFQTYYOCWGGOL-SNVBAGLBSA-N 1 1 251.757 3.420 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc3n[nH]cc3c2)cc1 ZINC001140389038 804428712 /nfs/dbraw/zinc/42/87/12/804428712.db2.gz JKCAVOWBBCNTEY-UHFFFAOYSA-N 1 1 294.402 3.261 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC001140467282 804442667 /nfs/dbraw/zinc/44/26/67/804442667.db2.gz UFSZUAQJGXJWGB-GFCCVEGCSA-N 1 1 288.778 3.430 20 10 CGCDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(O)c(C)c2O)no1 ZINC001140742158 804502433 /nfs/dbraw/zinc/50/24/33/804502433.db2.gz JCHCNZNKAWXAHK-AWEZNQCLSA-N 1 1 288.347 3.040 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)c1O ZINC001140746066 804502511 /nfs/dbraw/zinc/50/25/11/804502511.db2.gz UHFVHPWBIFWUTG-OAHLLOKOSA-N 1 1 284.359 3.138 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c1O ZINC001140747387 804504055 /nfs/dbraw/zinc/50/40/55/804504055.db2.gz AZFIXTLZMKKHKM-KGLIPLIRSA-N 1 1 275.392 3.418 20 10 CGCDMO Cc1c(O)ccc(C[N@@H+](C)Cc2ccsc2)c1O ZINC001140748476 804505072 /nfs/dbraw/zinc/50/50/72/804505072.db2.gz HLWMZRWEGLOJNH-UHFFFAOYSA-N 1 1 263.362 3.100 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c(O)c1 ZINC001140850985 804533075 /nfs/dbraw/zinc/53/30/75/804533075.db2.gz XOUJSUZQYDYWTB-CWRNSKLLSA-N 1 1 292.398 3.028 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]3C[C@H]32)c(Cl)c1 ZINC001140926676 804550963 /nfs/dbraw/zinc/55/09/63/804550963.db2.gz PPTVHUMJYWKGHC-XHDPSFHLSA-N 1 1 264.800 3.390 20 10 CGCDMO CC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(C)cc1O)CC2 ZINC001140958024 804557623 /nfs/dbraw/zinc/55/76/23/804557623.db2.gz QALOWICHHIUNTC-UHFFFAOYSA-N 1 1 295.382 3.462 20 10 CGCDMO Cc1ccc(C[N@@H+]2Cc3ccc(F)cc3C2)c(O)c1 ZINC001140951047 804558712 /nfs/dbraw/zinc/55/87/12/804558712.db2.gz WBIRZMFOXZANFJ-UHFFFAOYSA-N 1 1 257.308 3.356 20 10 CGCDMO Cc1ccc(C[N@H+]2Cc3ccc(F)cc3C2)c(O)c1 ZINC001140951047 804558717 /nfs/dbraw/zinc/55/87/17/804558717.db2.gz WBIRZMFOXZANFJ-UHFFFAOYSA-N 1 1 257.308 3.356 20 10 CGCDMO Cc1ccc(C[N@@H+](C)C[C@@H]2Cc3ccccc3O2)c(O)c1 ZINC001140955478 804559043 /nfs/dbraw/zinc/55/90/43/804559043.db2.gz YXYXELOVKUCXBQ-INIZCTEOSA-N 1 1 283.371 3.136 20 10 CGCDMO Cc1ncoc1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001141054352 804580058 /nfs/dbraw/zinc/58/00/58/804580058.db2.gz LJWOWUOGKFKQJO-UHFFFAOYSA-N 1 1 285.391 3.215 20 10 CGCDMO C[C@@H]1CCCC[N@@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141141511 804597066 /nfs/dbraw/zinc/59/70/66/804597066.db2.gz ZIUCHGOUVUTKQA-CQSZACIVSA-N 1 1 274.408 3.137 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CCC[C@H](c3ccccc3)C2)c1 ZINC001141158668 804599537 /nfs/dbraw/zinc/59/95/37/804599537.db2.gz IXYIWPXMOSFJJU-HNNXBMFYSA-N 1 1 283.371 3.477 20 10 CGCDMO COc1ccc([C@H]2CC[N@@H+](Cc3cc(O)ccc3O)C2)cc1 ZINC001141161727 804601461 /nfs/dbraw/zinc/60/14/61/804601461.db2.gz VPFTWOQPMRJGIM-AWEZNQCLSA-N 1 1 299.370 3.096 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CCC[C@H](CO)CC2)c1O ZINC001143104715 804801949 /nfs/dbraw/zinc/80/19/49/804801949.db2.gz YBYOKBWICINCJF-AWEZNQCLSA-N 1 1 291.435 3.284 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1O ZINC001143103372 804801985 /nfs/dbraw/zinc/80/19/85/804801985.db2.gz AZUUGHTWLKLUCA-YDHLFZDLSA-N 1 1 277.383 3.480 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CCCC[C@@H](O)C2)c1O ZINC001143104235 804802303 /nfs/dbraw/zinc/80/23/03/804802303.db2.gz RJLBZLWFRDDMBP-CQSZACIVSA-N 1 1 277.408 3.037 20 10 CGCDMO CC[N@@H+](Cc1nc(C)c(C)s1)Cc1ccccc1O ZINC001144378617 804979738 /nfs/dbraw/zinc/97/97/38/804979738.db2.gz UMEAVHVKBUDMJG-UHFFFAOYSA-N 1 1 276.405 3.488 20 10 CGCDMO Cc1ccccc1[C@H]1CCC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144504120 804997704 /nfs/dbraw/zinc/99/77/04/804997704.db2.gz MFCZFHPOTUGWBP-MRXNPFEDSA-N 1 1 299.370 3.449 20 10 CGCDMO CC(=O)c1cccc(Nc2cc[nH+]cc2C(F)(F)F)c1O ZINC001249594061 805185049 /nfs/dbraw/zinc/18/50/49/805185049.db2.gz VGHPDGIIIDDMIH-UHFFFAOYSA-N 1 1 296.248 3.174 20 10 CGCDMO C[N@H+]1CCC=C(N(c2ccc(N)cc2)c2ccc(N)cc2)C1 ZINC001175577499 809457427 /nfs/dbraw/zinc/45/74/27/809457427.db2.gz ALRLNTHZEUTOIT-UHFFFAOYSA-N 1 1 294.402 3.209 20 10 CGCDMO Nc1ccc(N(c2[nH]cc[nH+]2)c2ccc(N)cc2)cc1 ZINC001176085792 809620575 /nfs/dbraw/zinc/62/05/75/809620575.db2.gz ZMIIYDYZUGIQPG-UHFFFAOYSA-N 1 1 265.320 3.044 20 10 CGCDMO C[C@@H](c1ccco1)[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001180392247 809997742 /nfs/dbraw/zinc/99/77/42/809997742.db2.gz CFXCJDOETQWDAB-VIFPVBQESA-N 1 1 267.275 3.456 20 10 CGCDMO C[C@@H](c1ccco1)[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001180392247 809997743 /nfs/dbraw/zinc/99/77/43/809997743.db2.gz CFXCJDOETQWDAB-VIFPVBQESA-N 1 1 267.275 3.456 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCOCC2(CCCC2)C1 ZINC001180995585 810032070 /nfs/dbraw/zinc/03/20/70/810032070.db2.gz MEDIPAKIUGQZIB-UHFFFAOYSA-N 1 1 295.810 3.438 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH+]1CC(CC2CC2)C1 ZINC001183053620 810135479 /nfs/dbraw/zinc/13/54/79/810135479.db2.gz PQUYEBOFRSSWOV-UHFFFAOYSA-N 1 1 269.747 3.417 20 10 CGCDMO C[C@@H](c1ccccc1)[NH+]1CCN(Cc2ccccc2O)CC1 ZINC001203557078 812391593 /nfs/dbraw/zinc/39/15/93/812391593.db2.gz ZAQDCECCYIACSA-INIZCTEOSA-N 1 1 296.414 3.271 20 10 CGCDMO CC[N@@H+](Cc1cccc(OC)c1)Cc1ccccc1O ZINC001203558307 812392128 /nfs/dbraw/zinc/39/21/28/812392128.db2.gz CNQHCTOAKMDLMR-UHFFFAOYSA-N 1 1 271.360 3.423 20 10 CGCDMO Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2O)cn1 ZINC001203558711 812393160 /nfs/dbraw/zinc/39/31/60/812393160.db2.gz XLVIBEREDJPAOV-INIZCTEOSA-N 1 1 268.360 3.433 20 10 CGCDMO CC(C)[N@@H+](CC(=O)c1ccccc1)Cc1ccccc1O ZINC001203558269 812393576 /nfs/dbraw/zinc/39/35/76/812393576.db2.gz BDJIELJRWOQWJI-UHFFFAOYSA-N 1 1 283.371 3.486 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC001203562048 812394687 /nfs/dbraw/zinc/39/46/87/812394687.db2.gz CCYGZNBQNHDPMU-UHFFFAOYSA-N 1 1 275.298 3.229 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c1O ZINC001203589081 812401745 /nfs/dbraw/zinc/40/17/45/812401745.db2.gz DDKBHKMLNMISNN-CHWSQXEVSA-N 1 1 261.365 3.023 20 10 CGCDMO COc1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)c(O)c1 ZINC001203628774 812411301 /nfs/dbraw/zinc/41/13/01/812411301.db2.gz HXZXTQDSJHCCCQ-MRXNPFEDSA-N 1 1 269.344 3.348 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1cccc(F)c1)CC2 ZINC001203789501 812462090 /nfs/dbraw/zinc/46/20/90/812462090.db2.gz JAIXRZGQWMCWOZ-UHFFFAOYSA-N 1 1 257.308 3.090 20 10 CGCDMO Oc1ccc(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)cc1O ZINC001203879573 812478803 /nfs/dbraw/zinc/47/88/03/812478803.db2.gz SQIDKBCETYKQIC-MRXNPFEDSA-N 1 1 299.370 3.141 20 10 CGCDMO COc1ccc2c(c1)C[N@H+](Cc1ccc(O)c(O)c1)CCC2 ZINC001203881925 812479316 /nfs/dbraw/zinc/47/93/16/812479316.db2.gz YKVDSCHXOLZWLP-UHFFFAOYSA-N 1 1 299.370 3.055 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)cc1 ZINC001203930281 812494046 /nfs/dbraw/zinc/49/40/46/812494046.db2.gz QUZGGSGHAYQAJW-CQSZACIVSA-N 1 1 286.341 3.322 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C2CCC2)C2CCOCC2)cc1 ZINC001203936288 812496398 /nfs/dbraw/zinc/49/63/98/812496398.db2.gz LTBGDJIGCOCVPW-UHFFFAOYSA-N 1 1 288.435 3.286 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC(=O)[C@H](F)CC2)cc1 ZINC001203940311 812497943 /nfs/dbraw/zinc/49/79/43/812497943.db2.gz LTYSGJZOLAINPI-MRXNPFEDSA-N 1 1 292.398 3.036 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2CCC(=O)[C@H](F)CC2)cc1 ZINC001203940311 812497948 /nfs/dbraw/zinc/49/79/48/812497948.db2.gz LTYSGJZOLAINPI-MRXNPFEDSA-N 1 1 292.398 3.036 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2CN(C)C)cc1 ZINC001203939767 812498118 /nfs/dbraw/zinc/49/81/18/812498118.db2.gz VAILBVUEGXUVJF-SFHVURJKSA-N 1 1 289.467 3.059 20 10 CGCDMO CCN(CC)c1ccc(CN2CCC[C@H]2C[NH+](C)C)cc1 ZINC001203939767 812498121 /nfs/dbraw/zinc/49/81/21/812498121.db2.gz VAILBVUEGXUVJF-SFHVURJKSA-N 1 1 289.467 3.059 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](CO)C2)c2ccccc21 ZINC001204232895 812580541 /nfs/dbraw/zinc/58/05/41/812580541.db2.gz LFRJDPVWNJTXIM-OAHLLOKOSA-N 1 1 298.430 3.110 20 10 CGCDMO Oc1ccc(C[N@@H+]2CCc3c4ccccc4oc3C2)c(O)c1 ZINC001204281586 812596555 /nfs/dbraw/zinc/59/65/55/812596555.db2.gz WXZXYHJZPDCGRS-UHFFFAOYSA-N 1 1 295.338 3.402 20 10 CGCDMO Oc1ccc(C[N@H+]2CCc3c4ccccc4oc3C2)c(O)c1 ZINC001204281586 812596558 /nfs/dbraw/zinc/59/65/58/812596558.db2.gz WXZXYHJZPDCGRS-UHFFFAOYSA-N 1 1 295.338 3.402 20 10 CGCDMO C[N@@H+](CCc1ccncc1)Cc1ccc(N2CCCC2)cc1 ZINC001204327026 812614339 /nfs/dbraw/zinc/61/43/39/812614339.db2.gz LSBQESXWCQAVRH-UHFFFAOYSA-N 1 1 295.430 3.356 20 10 CGCDMO F[C@@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001204327247 812614940 /nfs/dbraw/zinc/61/49/40/812614940.db2.gz MXXKRXHTTFKUIN-BHYGNILZSA-N 1 1 274.383 3.219 20 10 CGCDMO Cc1ccc(C[N@H+]2CCO[C@](C)(c3ccccc3)C2)c(O)c1 ZINC001204806641 812741774 /nfs/dbraw/zinc/74/17/74/812741774.db2.gz BOKQXKMJFMQYKC-IBGZPJMESA-N 1 1 297.398 3.448 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2ccc(Cl)cc2O)nc1 ZINC001205632366 813034861 /nfs/dbraw/zinc/03/48/61/813034861.db2.gz FKOIXDHYYFZKDO-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO CCCC[N@H+](CCCO)Cc1ccc(Cl)cc1O ZINC001205693358 813054085 /nfs/dbraw/zinc/05/40/85/813054085.db2.gz VDFJOWQSHXOYSV-UHFFFAOYSA-N 1 1 271.788 3.030 20 10 CGCDMO CCCC[N@@H+](CCCO)Cc1ccc(Cl)cc1O ZINC001205693358 813054090 /nfs/dbraw/zinc/05/40/90/813054090.db2.gz VDFJOWQSHXOYSV-UHFFFAOYSA-N 1 1 271.788 3.030 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2CN)cc1 ZINC001205805845 813085332 /nfs/dbraw/zinc/08/53/32/813085332.db2.gz SEDSTXGNDWANIM-QAPCUYQASA-N 1 1 289.467 3.092 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](C)CC[C@H]2CN)cc1 ZINC001205805845 813085342 /nfs/dbraw/zinc/08/53/42/813085342.db2.gz SEDSTXGNDWANIM-QAPCUYQASA-N 1 1 289.467 3.092 20 10 CGCDMO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1cc(F)c(F)cc1O ZINC001205832036 813101747 /nfs/dbraw/zinc/10/17/47/813101747.db2.gz KJIRIDQTKPWEIC-ONGXEEELSA-N 1 1 255.308 3.052 20 10 CGCDMO [NH3+]C[C@H]1CCCC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001206639587 813381891 /nfs/dbraw/zinc/38/18/91/813381891.db2.gz FINHCCKASAKQNS-CQSZACIVSA-N 1 1 284.403 3.106 20 10 CGCDMO [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001206639587 813381898 /nfs/dbraw/zinc/38/18/98/813381898.db2.gz FINHCCKASAKQNS-CQSZACIVSA-N 1 1 284.403 3.106 20 10 CGCDMO CC(C)(C[NH2+]Cc1cc(F)c(F)cc1O)[C@@H]1CCCCO1 ZINC001207043013 813470660 /nfs/dbraw/zinc/47/06/60/813470660.db2.gz HOHYLJNOVVHZLH-HNNXBMFYSA-N 1 1 299.361 3.355 20 10 CGCDMO CC[N@@H+](CCCc1cccnc1)Cc1ccccc1O ZINC001209181921 813957712 /nfs/dbraw/zinc/95/77/12/813957712.db2.gz LAGLMHRBEACNRE-UHFFFAOYSA-N 1 1 270.376 3.242 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)cc1 ZINC001209516770 814071080 /nfs/dbraw/zinc/07/10/80/814071080.db2.gz NYWZZNGIFDWKFS-AUUYWEPGSA-N 1 1 298.430 3.297 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@](C)(O)C2)cc1 ZINC001209516942 814071687 /nfs/dbraw/zinc/07/16/87/814071687.db2.gz ULCDNFASCYTUAY-SFHVURJKSA-N 1 1 284.403 3.051 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)cc1 ZINC001209520494 814073814 /nfs/dbraw/zinc/07/38/14/814073814.db2.gz ZIXALKGEVLTQMS-HDICACEKSA-N 1 1 282.387 3.067 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)cc1 ZINC001209520494 814073821 /nfs/dbraw/zinc/07/38/21/814073821.db2.gz ZIXALKGEVLTQMS-HDICACEKSA-N 1 1 282.387 3.067 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@H]2c2ccccc2)c(O)cc1O ZINC001231637862 818143991 /nfs/dbraw/zinc/14/39/91/818143991.db2.gz TUSPYDPEWAWGBJ-AWEZNQCLSA-N 1 1 285.343 3.053 20 10 CGCDMO COc1cc(C[N@@H+](C)C/C=C/c2ccccc2)c(O)cc1O ZINC001231637446 818144175 /nfs/dbraw/zinc/14/41/75/818144175.db2.gz MQYYKIBDGONBRD-RMKNXTFCSA-N 1 1 299.370 3.252 20 10 CGCDMO Cc1cc(C)c(C[N@@H+](C)CC2CC(F)(F)C2)c(O)c1 ZINC001231847500 818187578 /nfs/dbraw/zinc/18/75/78/818187578.db2.gz ZMTOYPYWTFHWBL-UHFFFAOYSA-N 1 1 269.335 3.486 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCOc3ccccc3C2)c(O)c1 ZINC001231844369 818187616 /nfs/dbraw/zinc/18/76/16/818187616.db2.gz JRQFSPZXDOMFPV-UHFFFAOYSA-N 1 1 283.371 3.404 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1cncc(O)c1 ZINC001232042354 818239374 /nfs/dbraw/zinc/23/93/74/818239374.db2.gz QMHMHTUDGPXHDT-UHFFFAOYSA-N 1 1 297.402 3.019 20 10 CGCDMO Cc1ccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c(C)n1 ZINC001232084182 818250746 /nfs/dbraw/zinc/25/07/46/818250746.db2.gz FCFPAPLQNYCFMQ-UHFFFAOYSA-N 1 1 298.386 3.058 20 10 CGCDMO C[C@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232196672 818274858 /nfs/dbraw/zinc/27/48/58/818274858.db2.gz DWELPRZWTZBCHJ-ZDUSSCGKSA-N 1 1 294.826 3.161 20 10 CGCDMO CCCC[N@@H+](C)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232401464 818340113 /nfs/dbraw/zinc/34/01/13/818340113.db2.gz KNVUYMRJGWVTPC-UHFFFAOYSA-N 1 1 288.391 3.197 20 10 CGCDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232835191 818452472 /nfs/dbraw/zinc/45/24/72/818452472.db2.gz ZDMQPDIAOJGUJP-BETUJISGSA-N 1 1 262.397 3.221 20 10 CGCDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)cc2O)CC1 ZINC001232841586 818453666 /nfs/dbraw/zinc/45/36/66/818453666.db2.gz KWKPSGWRJPLCSR-CTYIDZIISA-N 1 1 276.424 3.469 20 10 CGCDMO Cc1cc(Br)cc(C[N@@H+]2CC[C@H]2C)c1O ZINC001233106484 818523586 /nfs/dbraw/zinc/52/35/86/818523586.db2.gz IEHVEXUWTLIXRH-SECBINFHSA-N 1 1 270.170 3.057 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)CC[C@@H]1O ZINC001233284153 818566617 /nfs/dbraw/zinc/56/66/17/818566617.db2.gz KIQWARPFKHRMQE-BBRMVZONSA-N 1 1 291.435 3.283 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c1 ZINC001233287122 818570383 /nfs/dbraw/zinc/57/03/83/818570383.db2.gz XKRWCLUIXVQRBY-SUMWQHHRSA-N 1 1 289.419 3.301 20 10 CGCDMO C[C@@H]1CO[C@@H]2C[N@@H+](Cc3cc(C(C)(C)C)ccc3O)C[C@H]12 ZINC001233287182 818571203 /nfs/dbraw/zinc/57/12/03/818571203.db2.gz ZUVUAJCVCZSABC-SRCQZFHVSA-N 1 1 289.419 3.156 20 10 CGCDMO C[N@H+](Cc1c(O)ccc(F)c1F)C1CCCCC1 ZINC001233331976 818581932 /nfs/dbraw/zinc/58/19/32/818581932.db2.gz SEVRFJSPBONKAY-UHFFFAOYSA-N 1 1 255.308 3.435 20 10 CGCDMO C[N@@H+](Cc1c(O)ccc(F)c1F)C1CCCCC1 ZINC001233331976 818581939 /nfs/dbraw/zinc/58/19/39/818581939.db2.gz SEVRFJSPBONKAY-UHFFFAOYSA-N 1 1 255.308 3.435 20 10 CGCDMO Oc1ccc(F)c(F)c1C[NH+]1CCC2(CC2)CC1 ZINC001233332554 818587017 /nfs/dbraw/zinc/58/70/17/818587017.db2.gz PCGPLIWMJJEDGV-UHFFFAOYSA-N 1 1 253.292 3.046 20 10 CGCDMO Oc1ccc(F)c(F)c1C[NH+]1CC2CCC(CC2)C1 ZINC001233336007 818588273 /nfs/dbraw/zinc/58/82/73/818588273.db2.gz UZTFMKGLYUPLIY-UHFFFAOYSA-N 1 1 267.319 3.292 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233451401 818623115 /nfs/dbraw/zinc/62/31/15/818623115.db2.gz JFROAWAGMFTPOF-GFCCVEGCSA-N 1 1 289.297 3.022 20 10 CGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@H](F)C3)c2c1 ZINC001234552860 818880706 /nfs/dbraw/zinc/88/07/06/818880706.db2.gz LTZKGJQUPSCWSL-ZDUSSCGKSA-N 1 1 289.350 3.488 20 10 CGCDMO C[N@@H+](CCF)Cc1cccc(-c2ccccc2)c1O ZINC001235001873 818974136 /nfs/dbraw/zinc/97/41/36/818974136.db2.gz WRXJTEOAIUYLNJ-UHFFFAOYSA-N 1 1 259.324 3.461 20 10 CGCDMO Oc1c(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cccc1-c1ccccc1 ZINC001234999281 818974231 /nfs/dbraw/zinc/97/42/31/818974231.db2.gz RKFCMMNGJXJFSJ-DLBZAZTESA-N 1 1 281.355 3.032 20 10 CGCDMO Oc1c(C[N@H+]2CCO[C@@H]3C[C@@H]32)cccc1-c1ccccc1 ZINC001234999281 818974239 /nfs/dbraw/zinc/97/42/39/818974239.db2.gz 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/nfs/dbraw/zinc/33/61/82/819336182.db2.gz PRFWEUFZXQNSDP-OAHLLOKOSA-N 1 1 284.403 3.119 20 10 CGCDMO CCC[C@@H]1C[NH2+]CCN1Cc1c(O)ccc2ccccc21 ZINC001236132897 819336191 /nfs/dbraw/zinc/33/61/91/819336191.db2.gz PRFWEUFZXQNSDP-OAHLLOKOSA-N 1 1 284.403 3.119 20 10 CGCDMO CN(Cc1cccc(C(C)(C)C)c1O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219645 819386638 /nfs/dbraw/zinc/38/66/38/819386638.db2.gz XCVBUINXDAVXFY-HZPDHXFCSA-N 1 1 290.451 3.391 20 10 CGCDMO CCCC[N@@H+](C)Cc1cc(O)c(Br)cc1O ZINC001236773218 819591385 /nfs/dbraw/zinc/59/13/85/819591385.db2.gz PWGDTPJECPPLMX-UHFFFAOYSA-N 1 1 288.185 3.092 20 10 CGCDMO CCc1ccc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)c(O)c1 ZINC001236784634 819595436 /nfs/dbraw/zinc/59/54/36/819595436.db2.gz XNHBUFURRXZBJX-BXUZGUMPSA-N 1 1 251.345 3.135 20 10 CGCDMO CCc1ccc(C[N@@H+](CC)Cc2ccncc2)c(O)c1 ZINC001236784269 819595571 /nfs/dbraw/zinc/59/55/71/819595571.db2.gz TUBODBNYMXHXBF-UHFFFAOYSA-N 1 1 270.376 3.372 20 10 CGCDMO CC[N@@H+](CCOC)Cc1cc2ccccc2cc1O ZINC001236835036 819614645 /nfs/dbraw/zinc/61/46/45/819614645.db2.gz DCYJVDUUMXTFDZ-UHFFFAOYSA-N 1 1 259.349 3.014 20 10 CGCDMO CC(C)[C@H]1C[N@@H+](Cc2cc3ccccc3cc2O)CCO1 ZINC001236837091 819616488 /nfs/dbraw/zinc/61/64/88/819616488.db2.gz NGKPRZQJKMKLER-GOSISDBHSA-N 1 1 285.387 3.402 20 10 CGCDMO CCCC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236929772 819638466 /nfs/dbraw/zinc/63/84/66/819638466.db2.gz UDPVKOQFECDUPH-UHFFFAOYSA-N 1 1 296.842 3.409 20 10 CGCDMO CCC[N@@H+](CCOC)Cc1ccc(C(C)C)cc1O ZINC001237046274 819649652 /nfs/dbraw/zinc/64/96/52/819649652.db2.gz SKCZDIQLBBWYCC-UHFFFAOYSA-N 1 1 265.397 3.374 20 10 CGCDMO CC(C)c1ccc(CN2CC[N@H+](C(C)C)[C@@H](C)C2)c(O)c1 ZINC001237052054 819652703 /nfs/dbraw/zinc/65/27/03/819652703.db2.gz SNZHRCKVJHWITI-HNNXBMFYSA-N 1 1 290.451 3.430 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCN(C(C)C)[C@@H](C)C2)c(O)c1 ZINC001237052054 819652708 /nfs/dbraw/zinc/65/27/08/819652708.db2.gz SNZHRCKVJHWITI-HNNXBMFYSA-N 1 1 290.451 3.430 20 10 CGCDMO CC(C)c1ccc(C[N@@H+]2CCN(C(C)C)[C@@H](C)C2)c(O)c1 ZINC001237052054 819652710 /nfs/dbraw/zinc/65/27/10/819652710.db2.gz SNZHRCKVJHWITI-HNNXBMFYSA-N 1 1 290.451 3.430 20 10 CGCDMO CC(C)c1ccc(C[NH+]2CC(N3CCCCC3)C2)c(O)c1 ZINC001237048038 819652837 /nfs/dbraw/zinc/65/28/37/819652837.db2.gz BYINFKKCTOINQV-UHFFFAOYSA-N 1 1 288.435 3.186 20 10 CGCDMO CC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1O)C1CC1 ZINC001237051626 819652913 /nfs/dbraw/zinc/65/29/13/819652913.db2.gz PGWLCHRGBFYGFA-UHFFFAOYSA-N 1 1 289.297 3.318 20 10 CGCDMO OC[C@H]1CCCC[N@@H+]1Cc1c(O)ccc(Cl)c1Cl ZINC001237077486 819660113 /nfs/dbraw/zinc/66/01/13/819660113.db2.gz ICXBPUDCJKQUDV-SECBINFHSA-N 1 1 290.190 3.046 20 10 CGCDMO OC[C@H]1CCCC[N@H+]1Cc1c(O)ccc(Cl)c1Cl ZINC001237077486 819660118 /nfs/dbraw/zinc/66/01/18/819660118.db2.gz ICXBPUDCJKQUDV-SECBINFHSA-N 1 1 290.190 3.046 20 10 CGCDMO Oc1cccc(OC(F)(F)F)c1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001237116005 819672036 /nfs/dbraw/zinc/67/20/36/819672036.db2.gz VTELQJDJXIOLJW-KOLCDFICSA-N 1 1 287.281 3.275 20 10 CGCDMO COc1nc(Cl)ccc1C[N@H+](C)Cc1ccccc1O ZINC001237252757 819710482 /nfs/dbraw/zinc/71/04/82/819710482.db2.gz LOVFJYPLTVYILC-UHFFFAOYSA-N 1 1 292.766 3.081 20 10 CGCDMO COc1nc(Cl)ccc1C[N@@H+](C)Cc1ccccc1O ZINC001237252757 819710485 /nfs/dbraw/zinc/71/04/85/819710485.db2.gz LOVFJYPLTVYILC-UHFFFAOYSA-N 1 1 292.766 3.081 20 10 CGCDMO COCC[C@@H]1CCCC[N@H+]1Cc1c(C)cccc1O ZINC001237489667 819764764 /nfs/dbraw/zinc/76/47/64/819764764.db2.gz JPLLFWTZZPILPW-AWEZNQCLSA-N 1 1 263.381 3.092 20 10 CGCDMO O=C1CC[NH+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC1 ZINC001237642076 819795512 /nfs/dbraw/zinc/79/55/12/819795512.db2.gz YTTXMRMRORYMFH-UHFFFAOYSA-N 1 1 299.345 3.363 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@@H](C)CC2)c(O)c(OC)c1 ZINC001237670301 819803274 /nfs/dbraw/zinc/80/32/74/819803274.db2.gz SAJXORSZPCRCGN-GFCCVEGCSA-N 1 1 279.380 3.031 20 10 CGCDMO COc1cc(C[N@H+]2CCCCC[C@H]2C)c(O)c(OC)c1 ZINC001237675284 819804638 /nfs/dbraw/zinc/80/46/38/819804638.db2.gz DEPGMYZUQVJWHO-GFCCVEGCSA-N 1 1 279.380 3.174 20 10 CGCDMO [O-]c1cc(Cl)c(F)cc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001237934735 819885516 /nfs/dbraw/zinc/88/55/16/819885516.db2.gz NKUKKLWTPAMISA-AOOOYVTPSA-N 1 1 269.747 3.417 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001237934735 819885527 /nfs/dbraw/zinc/88/55/27/819885527.db2.gz NKUKKLWTPAMISA-AOOOYVTPSA-N 1 1 269.747 3.417 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CCC(F)(F)[C@H](C)C2)c1O ZINC001238056395 819918831 /nfs/dbraw/zinc/91/88/31/819918831.db2.gz HZAFBLZTRKFFPR-SNVBAGLBSA-N 1 1 273.298 3.317 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)c1O ZINC001238055627 819919018 /nfs/dbraw/zinc/91/90/18/819919018.db2.gz ARSSQMNWAWRDSI-GFCCVEGCSA-N 1 1 291.288 3.409 20 10 CGCDMO Cc1cc(F)cc(C[N@@H+](C)Cc2cnc3ccccn23)c1O ZINC001238065204 819920940 /nfs/dbraw/zinc/92/09/40/819920940.db2.gz RYKLJSVSOKSJIW-UHFFFAOYSA-N 1 1 299.349 3.119 20 10 CGCDMO Cc1cc(F)cc(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c1O ZINC001238065715 819922676 /nfs/dbraw/zinc/92/26/76/819922676.db2.gz ZMEXMBOAYCRLHJ-MFKMUULPSA-N 1 1 285.309 3.317 20 10 CGCDMO CC1(C)C[N@@H+](Cc2cc(F)c(F)cc2[O-])[C@@H]1C1CC1 ZINC001474560908 937206401 /nfs/dbraw/zinc/20/64/01/937206401.db2.gz LKYNUQTWXFJVOH-CQSZACIVSA-N 1 1 267.319 3.291 20 10 CGCDMO CC1(C)C[N@@H+](Cc2cc(F)c(F)cc2O)[C@@H]1C1CC1 ZINC001474560908 937206404 /nfs/dbraw/zinc/20/64/04/937206404.db2.gz LKYNUQTWXFJVOH-CQSZACIVSA-N 1 1 267.319 3.291 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)[C@@H]2CC[C@H](SC)C2)c(O)c1 ZINC001308597338 928534063 /nfs/dbraw/zinc/53/40/63/928534063.db2.gz SAVDTBOVXMICBD-OCCSQVGLSA-N 1 1 295.448 3.425 20 10 CGCDMO COc1ccc(N(C)CC[N@@H+](C)CCC=C(C)C)cc1 ZINC001460333875 937527502 /nfs/dbraw/zinc/52/75/02/937527502.db2.gz HPSLXSQFHOOXTB-UHFFFAOYSA-N 1 1 276.424 3.420 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)CCC(F)(F)F)c1O ZINC000211481549 931946856 /nfs/dbraw/zinc/94/68/56/931946856.db2.gz IVHCPPNORWWKHJ-UHFFFAOYSA-N 1 1 277.286 3.175 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@]3(C2)CCCCO3)c1O ZINC001140178442 931956866 /nfs/dbraw/zinc/95/68/66/931956866.db2.gz LSNLBQBSLUIBNM-KRWDZBQOSA-N 1 1 275.392 3.154 20 10 CGCDMO CC1(C)CO[C@@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC001308511707 933122888 /nfs/dbraw/zinc/12/28/88/933122888.db2.gz YQGGPDPREFUPLB-SECBINFHSA-N 1 1 287.762 3.089 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001308812084 933181472 /nfs/dbraw/zinc/18/14/72/933181472.db2.gz VPELZPPXHLNZKQ-CABCVRRESA-N 1 1 280.362 3.148 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001319691650 933915421 /nfs/dbraw/zinc/91/54/21/933915421.db2.gz QOTFSHMONWREME-MRXNPFEDSA-N 1 1 297.398 3.465 20 10 CGCDMO FC1=CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001320343006 934033263 /nfs/dbraw/zinc/03/32/63/934033263.db2.gz NUELFKOFNSVCJF-UHFFFAOYSA-N 1 1 260.356 3.346 20 10 CGCDMO FC1=CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001320343006 934033269 /nfs/dbraw/zinc/03/32/69/934033269.db2.gz NUELFKOFNSVCJF-UHFFFAOYSA-N 1 1 260.356 3.346 20 10 CGCDMO CC1=CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001325086985 934886437 /nfs/dbraw/zinc/88/64/37/934886437.db2.gz WTOYEJQSGQYWQV-UHFFFAOYSA-N 1 1 256.393 3.439 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCc3c(O)cccc3C2)cc1 ZINC001473696034 937817550 /nfs/dbraw/zinc/81/75/50/937817550.db2.gz CVQSBTGOHWFXIZ-UHFFFAOYSA-N 1 1 296.414 3.407 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H](CF)C2)c1 ZINC001331479451 935383971 /nfs/dbraw/zinc/38/39/71/935383971.db2.gz ZVJKRBGJHIZMMN-ZDUSSCGKSA-N 1 1 251.345 3.191 20 10 CGCDMO C[C@@H]([NH2+]C1CC2(CC2(F)F)C1)c1c(O)cccc1F ZINC001333464788 935537881 /nfs/dbraw/zinc/53/78/81/935537881.db2.gz BJIUBSRUGAZJIN-BGQFSCJGSA-N 1 1 271.282 3.370 20 10 CGCDMO COc1ccc(C[N@@H+](C)[C@H](C)c2ccco2)c(O)c1OC ZINC001336672893 936205284 /nfs/dbraw/zinc/20/52/84/936205284.db2.gz JTCJIOMFTMGOON-LLVKDONJSA-N 1 1 291.347 3.195 20 10 CGCDMO CS[C@@H]1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2O)C1 ZINC001337395958 936256521 /nfs/dbraw/zinc/25/65/21/936256521.db2.gz MSKXRFHEGWUPIY-QWHCGFSZSA-N 1 1 269.385 3.247 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC[C@@H]2C2CC2)c(O)c1 ZINC001474335997 937852432 /nfs/dbraw/zinc/85/24/32/937852432.db2.gz OCVQZYFHCBCETE-OAHLLOKOSA-N 1 1 261.365 3.084 20 10 CGCDMO C[C@@H]1SCC[N@@H+](Cc2ccc(Cl)cc2O)[C@H]1C ZINC001474369534 937855085 /nfs/dbraw/zinc/85/50/85/937855085.db2.gz MNPIWEDAZZRZJP-UWVGGRQHSA-N 1 1 271.813 3.371 20 10 CGCDMO CNc1ccc(C)cc1C[N@H+]1Cc2cccc(O)c2C1 ZINC001474677894 937874354 /nfs/dbraw/zinc/87/43/54/937874354.db2.gz YSRZIYNEYRSEED-UHFFFAOYSA-N 1 1 268.360 3.258 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCOC(C)(C)[C@H]2C)cc1Cl ZINC001560688049 938270150 /nfs/dbraw/zinc/27/01/50/938270150.db2.gz WLXFQCUIOHATEH-LLVKDONJSA-N 1 1 283.799 3.353 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](C(C)C)C2)c(Cl)c1 ZINC001560708042 938271465 /nfs/dbraw/zinc/27/14/65/938271465.db2.gz AILIAFISLNFZNY-OAHLLOKOSA-N 1 1 283.799 3.211 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@@H](C(C)C)C2)c(Cl)c1 ZINC001560708042 938271467 /nfs/dbraw/zinc/27/14/67/938271467.db2.gz AILIAFISLNFZNY-OAHLLOKOSA-N 1 1 283.799 3.211 20 10 CGCDMO CC(C)(C[NH2+]Cc1cc(F)c(F)cc1O)CC(F)F ZINC001560988514 938288239 /nfs/dbraw/zinc/28/82/39/938288239.db2.gz DVYYMUHEGGZYOX-UHFFFAOYSA-N 1 1 279.277 3.441 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@@H](O)c1cccc(Cl)c1 ZINC000072629607 369830296 /nfs/dbraw/zinc/83/02/96/369830296.db2.gz MEZFAWXXCWXBLM-MRXNPFEDSA-N 1 1 291.778 3.211 20 10 CGCDMO CCOC(C)(C)C[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000287311893 371637911 /nfs/dbraw/zinc/63/79/11/371637911.db2.gz FBONOTQDWPRNEQ-CYBMUJFWSA-N 1 1 269.360 3.387 20 10 CGCDMO CC[C@](C)([NH2+]Cc1ccc2c(c1)CCO2)c1nccs1 ZINC000152643412 371711009 /nfs/dbraw/zinc/71/10/09/371711009.db2.gz NZVABPKEEHPOOM-INIZCTEOSA-N 1 1 288.416 3.493 20 10 CGCDMO CCc1noc(C)c1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000293636818 372430650 /nfs/dbraw/zinc/43/06/50/372430650.db2.gz GVGSKCRPTRDPOJ-VIFPVBQESA-N 1 1 278.327 3.241 20 10 CGCDMO CC[C@H]([NH2+][C@@H](CC)C(C)(C)O)c1ccc(F)cc1O ZINC000294552884 372660227 /nfs/dbraw/zinc/66/02/27/372660227.db2.gz BHVYFPCXIYKJHS-JSGCOSHPSA-N 1 1 269.360 3.122 20 10 CGCDMO C[N@@H+](Cc1cccc(Cl)c1[O-])[C@H](CO)c1ccccc1 ZINC000295062897 372690789 /nfs/dbraw/zinc/69/07/89/372690789.db2.gz OOIGFCSWVBYPFP-OAHLLOKOSA-N 1 1 291.778 3.211 20 10 CGCDMO C[N@@H+](Cc1c(O)cccc1Cl)[C@@H](CO)c1ccccc1 ZINC000295097444 372691578 /nfs/dbraw/zinc/69/15/78/372691578.db2.gz SGKQKBDVALZXOM-HNNXBMFYSA-N 1 1 291.778 3.211 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@](C)(F)C2)c1 ZINC000296077165 373015052 /nfs/dbraw/zinc/01/50/52/373015052.db2.gz QGDBQJMARHXZNI-HNNXBMFYSA-N 1 1 267.344 3.115 20 10 CGCDMO Cc1cc(Cn2c[nH+]c3c2CCCC3)ccc1N(C)C ZINC000296765562 373240066 /nfs/dbraw/zinc/24/00/66/373240066.db2.gz PLHKVBOLQXBCHL-UHFFFAOYSA-N 1 1 269.392 3.185 20 10 CGCDMO Cc1cc(N(C)C)ccc1CNc1nc(C)[nH+]c(C)c1C ZINC000301671399 373797296 /nfs/dbraw/zinc/79/72/96/373797296.db2.gz FMFUZDNEOATKCC-UHFFFAOYSA-N 1 1 284.407 3.388 20 10 CGCDMO CC(C)[NH2+]C1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000179965168 373947953 /nfs/dbraw/zinc/94/79/53/373947953.db2.gz FWCUAQXUFHWOSF-UHFFFAOYSA-N 1 1 282.815 3.008 20 10 CGCDMO Cc1cccc(C[N@H+](C)[C@H](C)c2ccncc2)c1O ZINC000183712076 374445065 /nfs/dbraw/zinc/44/50/65/374445065.db2.gz MEWCGFZOLZEGOJ-CYBMUJFWSA-N 1 1 256.349 3.289 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@@H](C)c2cccnc2)c1 ZINC000183727098 374446448 /nfs/dbraw/zinc/44/64/48/374446448.db2.gz QOSZQZZFRIHYJT-ZDUSSCGKSA-N 1 1 286.375 3.379 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)CCS1 ZINC000190699056 375532108 /nfs/dbraw/zinc/53/21/08/375532108.db2.gz XBZHHUYZXRQKNV-ZDUSSCGKSA-N 1 1 264.438 3.080 20 10 CGCDMO Cn1ccc(C[N@@H+](Cc2ccccc2O)C2CCCCC2)n1 ZINC000271006549 378426750 /nfs/dbraw/zinc/42/67/50/378426750.db2.gz NRRZQIPBTNXAFN-UHFFFAOYSA-N 1 1 299.418 3.461 20 10 CGCDMO Cc1ccc([C@H](C)[NH2+]CC(C)(C)CN(C)C)c(O)c1C ZINC000273403664 378744353 /nfs/dbraw/zinc/74/43/53/378744353.db2.gz NWGIKNCILZWRSU-AWEZNQCLSA-N 1 1 278.440 3.247 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1[O-] ZINC000375887846 379514984 /nfs/dbraw/zinc/51/49/84/379514984.db2.gz JUWAFARBXKMDFD-FMKPAKJESA-N 1 1 292.398 3.199 20 10 CGCDMO Oc1c(F)cccc1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000281275350 379827982 /nfs/dbraw/zinc/82/79/82/379827982.db2.gz YUBOCWSLLVDZAS-SECBINFHSA-N 1 1 259.271 3.056 20 10 CGCDMO CC[C@H]([NH2+]CCCC(C)(C)CO)c1ccc(F)cc1O ZINC000286181044 380170844 /nfs/dbraw/zinc/17/08/44/380170844.db2.gz QUTUHBWREMCJDI-AWEZNQCLSA-N 1 1 283.387 3.371 20 10 CGCDMO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)c1ccn(C)n1 ZINC000414150639 380193685 /nfs/dbraw/zinc/19/36/85/380193685.db2.gz PHNQWJNZTOYVRB-CYBMUJFWSA-N 1 1 282.391 3.071 20 10 CGCDMO CC[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1ccc(F)cc1O ZINC000285537205 380150452 /nfs/dbraw/zinc/15/04/52/380150452.db2.gz BXTNBWAJRZNJMF-RBOXIYTFSA-N 1 1 292.398 3.197 20 10 CGCDMO CC[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(F)cc1O ZINC000285537199 380150778 /nfs/dbraw/zinc/15/07/78/380150778.db2.gz BXTNBWAJRZNJMF-FFSVYQOJSA-N 1 1 292.398 3.197 20 10 CGCDMO CCCOc1ccc(C[N@@H+](C)CCOCC2CC2)c(O)c1 ZINC000093818623 392241302 /nfs/dbraw/zinc/24/13/02/392241302.db2.gz FNTWEWZWQSJJRD-UHFFFAOYSA-N 1 1 293.407 3.039 20 10 CGCDMO CCCOc1ccc(C[N@H+]2CC[C@H](OC)C[C@@H]2C)c(O)c1 ZINC000282206889 392284030 /nfs/dbraw/zinc/28/40/30/392284030.db2.gz HDKRDBSTLNTTQX-ZFWWWQNUSA-N 1 1 293.407 3.180 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)[C@H](C)C(C)C)c1O ZINC000132237799 392459793 /nfs/dbraw/zinc/45/97/93/392459793.db2.gz YEYRGHIFXUKVGD-GFCCVEGCSA-N 1 1 251.370 3.267 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000372176461 392591281 /nfs/dbraw/zinc/59/12/81/392591281.db2.gz SESAFGJLLRIVJM-HZPDHXFCSA-N 1 1 297.398 3.404 20 10 CGCDMO CCc1cc(NCc2ccc(N3CC=CC3)cc2)nc(C)[nH+]1 ZINC000302053028 392609055 /nfs/dbraw/zinc/60/90/55/392609055.db2.gz PCMYUBSPDRDWBH-UHFFFAOYSA-N 1 1 294.402 3.336 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCCO1 ZINC000179394533 392700800 /nfs/dbraw/zinc/70/08/00/392700800.db2.gz VCNKQWKFSAJYCG-INIZCTEOSA-N 1 1 288.435 3.288 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000179580341 392704455 /nfs/dbraw/zinc/70/44/55/392704455.db2.gz VRJUWVMOORQWFM-KRWDZBQOSA-N 1 1 297.398 3.431 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2(C(C)C)CC2)c1 ZINC000293704964 292013944 /nfs/dbraw/zinc/01/39/44/292013944.db2.gz MKQKTFLPYOBFTA-NSHDSACASA-N 1 1 277.364 3.018 20 10 CGCDMO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(F)cc1O ZINC000184944471 262035192 /nfs/dbraw/zinc/03/51/92/262035192.db2.gz QECMIIFZNDSZLA-MGPLVRAMSA-N 1 1 293.313 3.055 20 10 CGCDMO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1O ZINC000272273981 263003059 /nfs/dbraw/zinc/00/30/59/263003059.db2.gz LUKGSCJPQLMBPF-HNNXBMFYSA-N 1 1 274.339 3.207 20 10 CGCDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cccc(F)c1O ZINC000272273981 263003060 /nfs/dbraw/zinc/00/30/60/263003060.db2.gz LUKGSCJPQLMBPF-HNNXBMFYSA-N 1 1 274.339 3.207 20 10 CGCDMO C[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1ccc(F)cc1O ZINC000368651630 328939741 /nfs/dbraw/zinc/93/97/41/328939741.db2.gz HUBGKBFDXGVISS-JECHBYEQSA-N 1 1 293.382 3.387 20 10 CGCDMO Oc1ccccc1C[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000179581705 329210027 /nfs/dbraw/zinc/21/00/27/329210027.db2.gz HOSISSVXPXULSU-UHFFFAOYSA-N 1 1 278.355 3.432 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000179581705 329210028 /nfs/dbraw/zinc/21/00/28/329210028.db2.gz HOSISSVXPXULSU-UHFFFAOYSA-N 1 1 278.355 3.432 20 10 CGCDMO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000274906359 519283982 /nfs/dbraw/zinc/28/39/82/519283982.db2.gz IOMXHKVSCRCBKN-CABCVRRESA-N 1 1 281.371 3.215 20 10 CGCDMO CCOC[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000126579312 520118319 /nfs/dbraw/zinc/11/83/19/520118319.db2.gz YNQGSPBFHBZHAQ-GFCCVEGCSA-N 1 1 283.799 3.294 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](O)C[C@@H]2C)cc1F ZINC000292885548 520895728 /nfs/dbraw/zinc/89/57/28/520895728.db2.gz YEZGYDNAOGLPSB-ZFWWWQNUSA-N 1 1 294.414 3.017 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000127459186 521143221 /nfs/dbraw/zinc/14/32/21/521143221.db2.gz KHHFCTMCORUTLK-MRXNPFEDSA-N 1 1 286.375 3.456 20 10 CGCDMO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cc(F)ccc2O)[nH]1 ZINC000277340644 522053133 /nfs/dbraw/zinc/05/31/33/522053133.db2.gz UZLPDRDOJDNKEH-UWVGGRQHSA-N 1 1 292.358 3.014 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+](C)CC(C)C)c1O ZINC000228591635 522535479 /nfs/dbraw/zinc/53/54/79/522535479.db2.gz VZSUEJWYXJGCIQ-UHFFFAOYSA-N 1 1 257.761 3.142 20 10 CGCDMO CN(C)CCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000263715779 524057640 /nfs/dbraw/zinc/05/76/40/524057640.db2.gz VDYKFBKOQQRQRI-UHFFFAOYSA-N 1 1 284.403 3.101 20 10 CGCDMO C[C@H](CN1CCCCC1)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000062747591 524333172 /nfs/dbraw/zinc/33/31/72/524333172.db2.gz XRHAAGIZRIFOOR-CHWSQXEVSA-N 1 1 280.387 3.056 20 10 CGCDMO Cc1cc(C[N@@H+](C[C@H]2CCOC2)C2CC2)ccc1N(C)C ZINC000293414720 524667314 /nfs/dbraw/zinc/66/73/14/524667314.db2.gz IHIGWFVWABFNEW-MRXNPFEDSA-N 1 1 288.435 3.062 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C(C)C)[C@@H]2CCOC2)cc1C ZINC000291041341 525312221 /nfs/dbraw/zinc/31/22/21/525312221.db2.gz GDJSAIGAMULKOT-OAHLLOKOSA-N 1 1 263.381 3.008 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCCSC1)c1ccc(F)cc1O ZINC000287151645 525483572 /nfs/dbraw/zinc/48/35/72/525483572.db2.gz STRYFLJOQUWAKO-MNOVXSKESA-N 1 1 269.385 3.325 20 10 CGCDMO C[C@@]1([NH2+]Cc2cc(Cl)c(F)cc2O)CCO[C@@H]1C1CC1 ZINC000293535133 525874024 /nfs/dbraw/zinc/87/40/24/525874024.db2.gz FGKQZMDNDCWHME-HUUCEWRRSA-N 1 1 299.773 3.232 20 10 CGCDMO C[C@H](c1ccccc1)[N@H+](Cc1ccccc1O)C[C@H](C)O ZINC000249543245 526094549 /nfs/dbraw/zinc/09/45/49/526094549.db2.gz JTUPAVJKOIFPKH-LSDHHAIUSA-N 1 1 285.387 3.336 20 10 CGCDMO Oc1c(F)cccc1C[N@H+](Cc1cccnc1)C1CC1 ZINC000290471202 526328977 /nfs/dbraw/zinc/32/89/77/526328977.db2.gz NNBKRNZZHLSNBT-UHFFFAOYSA-N 1 1 272.323 3.091 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000290471202 526328986 /nfs/dbraw/zinc/32/89/86/526328986.db2.gz NNBKRNZZHLSNBT-UHFFFAOYSA-N 1 1 272.323 3.091 20 10 CGCDMO CC(C)n1ccc(C[NH2+]Cc2c(O)cccc2Cl)n1 ZINC000738441044 572376430 /nfs/dbraw/zinc/37/64/30/572376430.db2.gz ZUBDVMOBEXFIPC-UHFFFAOYSA-N 1 1 279.771 3.113 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCOC[C@@H]2CC(C)C)cc1C ZINC000733789041 572604729 /nfs/dbraw/zinc/60/47/29/572604729.db2.gz KLUHVAOVNTZSGH-INIZCTEOSA-N 1 1 277.408 3.256 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@H]2C2CCC2)c(O)c1OC ZINC000891870240 618351079 /nfs/dbraw/zinc/35/10/79/618351079.db2.gz QFGJIFMBNURGQO-AWEZNQCLSA-N 1 1 291.391 3.174 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)c1 ZINC000168243513 618728791 /nfs/dbraw/zinc/72/87/91/618728791.db2.gz TZLUVMYZLJLWSK-UPJWGTAASA-N 1 1 263.381 3.267 20 10 CGCDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2O)C12CCC2 ZINC000179586602 618795694 /nfs/dbraw/zinc/79/56/94/618795694.db2.gz IHNKQWUZKGCCAZ-HZPDHXFCSA-N 1 1 275.392 3.172 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000179569539 618796174 /nfs/dbraw/zinc/79/61/74/618796174.db2.gz CANVUZVWZMIOLO-OAHLLOKOSA-N 1 1 297.354 3.458 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccc(F)cc1O ZINC000310980201 618882961 /nfs/dbraw/zinc/88/29/61/618882961.db2.gz QVJZWFGRBCOCAH-WCBMZHEXSA-N 1 1 259.271 3.370 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)c1O ZINC000775663025 619084506 /nfs/dbraw/zinc/08/45/06/619084506.db2.gz YJPOREMLKKWWHP-NSHDSACASA-N 1 1 283.799 3.353 20 10 CGCDMO Cc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1O ZINC000840956790 619268899 /nfs/dbraw/zinc/26/88/99/619268899.db2.gz FAGFSGQDNKKFOH-IRXDYDNUSA-N 1 1 283.371 3.009 20 10 CGCDMO CC[N@H+](Cc1ccoc1)Cc1cc(F)cc(F)c1O ZINC000893993678 619345621 /nfs/dbraw/zinc/34/56/21/619345621.db2.gz SKQWWSFNOPVGMS-UHFFFAOYSA-N 1 1 267.275 3.286 20 10 CGCDMO CC[N@@H+](Cc1ccoc1)Cc1cc(F)cc(F)c1O ZINC000893993678 619345622 /nfs/dbraw/zinc/34/56/22/619345622.db2.gz SKQWWSFNOPVGMS-UHFFFAOYSA-N 1 1 267.275 3.286 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)[C@@H](C)c2ccccn2)c1O ZINC000894423094 619530481 /nfs/dbraw/zinc/53/04/81/619530481.db2.gz OLOORSIWNAJRBM-ZDUSSCGKSA-N 1 1 286.375 3.297 20 10 CGCDMO C[C@@H](c1ccncc1)[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000894448874 619541805 /nfs/dbraw/zinc/54/18/05/619541805.db2.gz KWYWPHYUQBDSHY-JTQLQIEISA-N 1 1 278.302 3.258 20 10 CGCDMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000894448874 619541812 /nfs/dbraw/zinc/54/18/12/619541812.db2.gz KWYWPHYUQBDSHY-JTQLQIEISA-N 1 1 278.302 3.258 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@](C)(OC)CC2)c1O ZINC000894617136 619590102 /nfs/dbraw/zinc/59/01/02/619590102.db2.gz BCSNCPOMTLCWND-QGZVFWFLSA-N 1 1 293.407 3.100 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@@H](c3nccs3)C2)c1O ZINC000895580640 619855539 /nfs/dbraw/zinc/85/55/39/619855539.db2.gz IFEWHSOXKFSJIX-CYBMUJFWSA-N 1 1 274.389 3.147 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)cc1Cl ZINC000895777011 619883905 /nfs/dbraw/zinc/88/39/05/619883905.db2.gz OMYPEKFCOWSNEZ-TXEJJXNPSA-N 1 1 283.824 3.149 20 10 CGCDMO CC1=C[C@@H](C)C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000797604373 620219745 /nfs/dbraw/zinc/21/97/45/620219745.db2.gz DXNKULPTIWZFIZ-GFCCVEGCSA-N 1 1 262.372 3.290 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000841745100 620351266 /nfs/dbraw/zinc/35/12/66/620351266.db2.gz NFKUIIUOAGJEEF-VXGBXAGGSA-N 1 1 294.826 3.181 20 10 CGCDMO CC1(C)CCC[C@H](C[NH2+]Cc2cc(F)cc(F)c2O)O1 ZINC000898046088 620463705 /nfs/dbraw/zinc/46/37/05/620463705.db2.gz BYRSFEIBOKWCAN-GFCCVEGCSA-N 1 1 285.334 3.108 20 10 CGCDMO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000902634851 621390241 /nfs/dbraw/zinc/39/02/41/621390241.db2.gz UDIJLUSQNGPHHY-ZFWWWQNUSA-N 1 1 293.407 3.005 20 10 CGCDMO C[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1ccc(F)cc1O ZINC000903265053 621649784 /nfs/dbraw/zinc/64/97/84/621649784.db2.gz OVDOLPAVCVYFBT-XUJVJEKNSA-N 1 1 281.371 3.123 20 10 CGCDMO N[C@H](CC(F)F)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000903892070 621824661 /nfs/dbraw/zinc/82/46/61/621824661.db2.gz GPWGCFQXMICSSI-CYBMUJFWSA-N 1 1 298.377 3.119 20 10 CGCDMO N[C@H](CC(F)F)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000903892070 621824666 /nfs/dbraw/zinc/82/46/66/621824666.db2.gz GPWGCFQXMICSSI-CYBMUJFWSA-N 1 1 298.377 3.119 20 10 CGCDMO Oc1c(F)cccc1C[NH+]1CCc2ccccc2CC1 ZINC000166378041 622332511 /nfs/dbraw/zinc/33/25/11/622332511.db2.gz BDROMDWWUAKCEE-UHFFFAOYSA-N 1 1 271.335 3.132 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCCS1)c1ccc(F)cc1O ZINC000149591190 622345981 /nfs/dbraw/zinc/34/59/81/622345981.db2.gz DFBZKSNSPBGYHP-KOLCDFICSA-N 1 1 255.358 3.078 20 10 CGCDMO CC[C@@H](C)C[N@@H+](CC)Cc1cccc(OC)c1O ZINC000156088314 622684150 /nfs/dbraw/zinc/68/41/50/622684150.db2.gz LDEOFLKSIUNLNO-GFCCVEGCSA-N 1 1 251.370 3.269 20 10 CGCDMO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000164201950 622819268 /nfs/dbraw/zinc/81/92/68/622819268.db2.gz OPZQPTKVKAVYKD-NEPJUHHUSA-N 1 1 293.407 3.005 20 10 CGCDMO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000164201950 622819271 /nfs/dbraw/zinc/81/92/71/622819271.db2.gz OPZQPTKVKAVYKD-NEPJUHHUSA-N 1 1 293.407 3.005 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H]2C2CCC2)c1O ZINC000164280518 622825274 /nfs/dbraw/zinc/82/52/74/622825274.db2.gz SLGNVJWBWWRLQD-OAHLLOKOSA-N 1 1 275.392 3.474 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H]2C2CCC2)c1O ZINC000164280647 622828211 /nfs/dbraw/zinc/82/82/11/622828211.db2.gz SLGNVJWBWWRLQD-HNNXBMFYSA-N 1 1 275.392 3.474 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCS[C@H](C)[C@@H]2C)c1 ZINC000164345419 622829330 /nfs/dbraw/zinc/82/93/30/622829330.db2.gz CDRRZMIQHFHZDY-QWHCGFSZSA-N 1 1 265.422 3.335 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC3(CCCC3)C2)c1O ZINC000164424104 622835059 /nfs/dbraw/zinc/83/50/59/622835059.db2.gz AZUBTCPBYGSHCL-UHFFFAOYSA-N 1 1 275.392 3.475 20 10 CGCDMO CCC[N@H+](CC)CCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000156784920 622844015 /nfs/dbraw/zinc/84/40/15/622844015.db2.gz UWLXPBOCIKROOG-HNNXBMFYSA-N 1 1 277.456 3.135 20 10 CGCDMO CCC[N@@H+](CC)CCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000156784920 622844017 /nfs/dbraw/zinc/84/40/17/622844017.db2.gz UWLXPBOCIKROOG-HNNXBMFYSA-N 1 1 277.456 3.135 20 10 CGCDMO Oc1ccccc1C[N@@H+](C[C@@H]1CCCO1)[C@H]1C=CCCC1 ZINC000171922972 623200617 /nfs/dbraw/zinc/20/06/17/623200617.db2.gz ZYGGNXSBADFOOT-IRXDYDNUSA-N 1 1 287.403 3.482 20 10 CGCDMO C[C@H]([NH2+]CCOCC1CCCC1)c1ccc(F)cc1O ZINC000313249267 623637877 /nfs/dbraw/zinc/63/78/77/623637877.db2.gz DVZQXGNTCCHBPK-LBPRGKRZSA-N 1 1 281.371 3.389 20 10 CGCDMO CCN(C)c1ccc([C@H](C)NCC[NH+](CC)CC)cc1 ZINC000152781137 623711596 /nfs/dbraw/zinc/71/15/96/623711596.db2.gz PSLKQXUSPHCJGG-HNNXBMFYSA-N 1 1 277.456 3.135 20 10 CGCDMO CSCC[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000917074899 624233315 /nfs/dbraw/zinc/23/33/15/624233315.db2.gz KLUYOEMKJYNPQY-UHFFFAOYSA-N 1 1 266.454 3.326 20 10 CGCDMO COc1ccccc1CC[N@@H+](C)Cc1cccc(C)c1O ZINC000180066313 624714700 /nfs/dbraw/zinc/71/47/00/624714700.db2.gz HOMVDUJVVSPYAD-UHFFFAOYSA-N 1 1 285.387 3.384 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](OCCC(C)C)C2)c1 ZINC000180295722 624733591 /nfs/dbraw/zinc/73/35/91/624733591.db2.gz LJTPRKSPBHXFQX-MRXNPFEDSA-N 1 1 293.407 3.038 20 10 CGCDMO C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccccc1O ZINC000183955627 625182083 /nfs/dbraw/zinc/18/20/83/625182083.db2.gz FXQBKJMWBCHBKW-CQSZACIVSA-N 1 1 276.424 3.165 20 10 CGCDMO COC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccco1 ZINC000921809364 625885550 /nfs/dbraw/zinc/88/55/50/625885550.db2.gz LOGIMXVEVPXCNO-HNNXBMFYSA-N 1 1 287.359 3.082 20 10 CGCDMO Cc1ccc(O)c(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)c1 ZINC000922519630 626010791 /nfs/dbraw/zinc/01/07/91/626010791.db2.gz FIKHWYCAVKDPTA-PBHICJAKSA-N 1 1 287.334 3.262 20 10 CGCDMO COC(C)(C)[C@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000922580844 626014227 /nfs/dbraw/zinc/01/42/27/626014227.db2.gz HZTDNEKTZCUMRN-QMMMGPOBSA-N 1 1 275.751 3.088 20 10 CGCDMO CC(C)CCOCC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756504761 626096197 /nfs/dbraw/zinc/09/61/97/626096197.db2.gz SVMHPTATEJYOGX-NSHDSACASA-N 1 1 287.350 3.384 20 10 CGCDMO CO[C@@H]1C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C12CCC2 ZINC000839182619 626326586 /nfs/dbraw/zinc/32/65/86/626326586.db2.gz ODXFHBBILPESPN-QWHCGFSZSA-N 1 1 299.773 3.232 20 10 CGCDMO COC1CCC([N@@H+](C)Cc2cc(C)cc(C)c2O)CC1 ZINC000754726307 626584945 /nfs/dbraw/zinc/58/49/45/626584945.db2.gz OLQNEBPFAMSWIP-UHFFFAOYSA-N 1 1 277.408 3.398 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)[C@@H](C)C(C)C)c1O ZINC000754725799 626585189 /nfs/dbraw/zinc/58/51/89/626585189.db2.gz FZEMZVQDAAVUFN-LBPRGKRZSA-N 1 1 251.370 3.186 20 10 CGCDMO C[C@H](CCN(C)C)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756505632 626710607 /nfs/dbraw/zinc/71/06/07/626710607.db2.gz UHVFTNMRLZBGRB-LOWVWBTDSA-N 1 1 280.387 3.009 20 10 CGCDMO C[C@H]([NH2+]Cc1cccc(O)c1)c1cc(F)cc(F)c1O ZINC000756516901 626711359 /nfs/dbraw/zinc/71/13/59/626711359.db2.gz UFFYTUCAMROJSC-VIFPVBQESA-N 1 1 279.286 3.227 20 10 CGCDMO CC[C@H](C)[N@H+](C)CCN[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756529287 626712817 /nfs/dbraw/zinc/71/28/17/626712817.db2.gz RPHOHFIYZZREQD-MBNYWOFBSA-N 1 1 294.414 3.400 20 10 CGCDMO CC[C@H](C)[N@@H+](C)CCN[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756529287 626712820 /nfs/dbraw/zinc/71/28/20/626712820.db2.gz RPHOHFIYZZREQD-MBNYWOFBSA-N 1 1 294.414 3.400 20 10 CGCDMO Cc1ncsc1C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756549487 626713770 /nfs/dbraw/zinc/71/37/70/626713770.db2.gz OAVWJCMGLACCJW-ZETCQYMHSA-N 1 1 284.331 3.286 20 10 CGCDMO CC(C)n1ccc(C[NH2+][C@H](C)c2ccc(F)cc2O)n1 ZINC000756593453 626719342 /nfs/dbraw/zinc/71/93/42/626719342.db2.gz KCIOTFWGVPGWGL-LLVKDONJSA-N 1 1 277.343 3.160 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)C1CCOCC1 ZINC000756630378 626722223 /nfs/dbraw/zinc/72/22/23/626722223.db2.gz VHGDJQONBDOUJI-NHYWBVRUSA-N 1 1 281.371 3.387 20 10 CGCDMO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000756651895 626724873 /nfs/dbraw/zinc/72/48/73/626724873.db2.gz YKVXOQJPSIHTDE-ZOWXZIJZSA-N 1 1 291.391 3.408 20 10 CGCDMO CCC[N@@H+](CCN(CC)CC)Cc1cc(C)ccc1O ZINC000764677397 627217739 /nfs/dbraw/zinc/21/77/39/627217739.db2.gz JAKOINPBTOABGY-UHFFFAOYSA-N 1 1 278.440 3.254 20 10 CGCDMO CCCN(CC[NH+](CC)CC)Cc1cc(C)ccc1O ZINC000764677397 627217741 /nfs/dbraw/zinc/21/77/41/627217741.db2.gz JAKOINPBTOABGY-UHFFFAOYSA-N 1 1 278.440 3.254 20 10 CGCDMO CCCN(CCC)c1ccc(C[N@H+]2CCC[C@H](O)C2)cc1 ZINC000768140130 627463006 /nfs/dbraw/zinc/46/30/06/627463006.db2.gz CBOQAJCZKRBCJM-SFHVURJKSA-N 1 1 290.451 3.270 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2C(C)C)c1 ZINC000768320329 627473267 /nfs/dbraw/zinc/47/32/67/627473267.db2.gz SIFFSCRZOOLEFA-OAHLLOKOSA-N 1 1 263.381 3.411 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000768356016 627475965 /nfs/dbraw/zinc/47/59/65/627475965.db2.gz VHQQOGMZRHVXBJ-OAHLLOKOSA-N 1 1 284.359 3.133 20 10 CGCDMO COc1cc(C[N@H+]2CCCCC[C@H]2C)c(O)cc1C ZINC000768448708 627480723 /nfs/dbraw/zinc/48/07/23/627480723.db2.gz WOVCVRIFEOCMSL-CYBMUJFWSA-N 1 1 263.381 3.474 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCCC[C@H](COC)C2)c(O)c1 ZINC000768541874 627485432 /nfs/dbraw/zinc/48/54/32/627485432.db2.gz SUOFGXSOXUMLRT-AWEZNQCLSA-N 1 1 293.407 3.039 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCc3ccc(O)cc3C2)c(O)c1 ZINC000768869199 627504581 /nfs/dbraw/zinc/50/45/81/627504581.db2.gz QTTKXTCVHFFNKS-UHFFFAOYSA-N 1 1 299.370 3.055 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCOc2ccccc2[C@H]1C ZINC000768930683 627509895 /nfs/dbraw/zinc/50/98/95/627509895.db2.gz OEPGDHLDGSQKFT-CYBMUJFWSA-N 1 1 299.370 3.356 20 10 CGCDMO CC[C@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769011572 627516625 /nfs/dbraw/zinc/51/66/25/627516625.db2.gz YDCFFGPWQAYZFP-HNNXBMFYSA-N 1 1 292.398 3.037 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC[C@H](C)CC2)c(O)c1 ZINC000769148729 627526083 /nfs/dbraw/zinc/52/60/83/627526083.db2.gz QJXTWPZQLDAVCK-ZDUSSCGKSA-N 1 1 263.381 3.413 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](c3ccco3)C2)cc1F ZINC000769390168 627547959 /nfs/dbraw/zinc/54/79/59/627547959.db2.gz RBSVQEMPKHOVFN-AWEZNQCLSA-N 1 1 288.366 3.474 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCOC[C@@H](C)C2)cc1 ZINC000769456618 627554693 /nfs/dbraw/zinc/55/46/93/627554693.db2.gz OKJNLXJGSAKQCQ-HNNXBMFYSA-N 1 1 276.424 3.001 20 10 CGCDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C)ccc2O)C1(C)C ZINC000769476240 627558458 /nfs/dbraw/zinc/55/84/58/627558458.db2.gz XMIAOWROEAZODB-CVEARBPZSA-N 1 1 277.408 3.336 20 10 CGCDMO Cc1cccc(C[N@H+](C)Cc2ccc(N(C)C)c(F)c2)n1 ZINC000769482015 627559188 /nfs/dbraw/zinc/55/91/88/627559188.db2.gz XTBXGNZVJANOEP-UHFFFAOYSA-N 1 1 287.382 3.227 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000769505948 627561117 /nfs/dbraw/zinc/56/11/17/627561117.db2.gz LIMJQVNMLYNJJH-HNNXBMFYSA-N 1 1 283.371 3.218 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000770285279 627611648 /nfs/dbraw/zinc/61/16/48/627611648.db2.gz FPQDERKVJJMZTA-FZMZJTMJSA-N 1 1 281.783 3.047 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@@H]2c2ccccc2)c1O ZINC000771941279 627747917 /nfs/dbraw/zinc/74/79/17/627747917.db2.gz ZMXJKZNPCHUCHU-OAHLLOKOSA-N 1 1 269.344 3.348 20 10 CGCDMO CCCCC[N@@H+](CCO)Cc1ccc(N(C)CC)cc1 ZINC000773757275 627912093 /nfs/dbraw/zinc/91/20/93/627912093.db2.gz OBCPSJGCMMAAHR-UHFFFAOYSA-N 1 1 278.440 3.127 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000773758584 627912446 /nfs/dbraw/zinc/91/24/46/627912446.db2.gz WXLHFIDMZUFSQM-INIZCTEOSA-N 1 1 276.424 3.001 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)cc1 ZINC000773888881 627925416 /nfs/dbraw/zinc/92/54/16/627925416.db2.gz RVAYNOSHKBVUNE-HDMKZQKVSA-N 1 1 290.451 3.124 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCc3c(C)cccc3C2)c1 ZINC000775680442 628125078 /nfs/dbraw/zinc/12/50/78/628125078.db2.gz CTWKSFXNLLABNQ-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H]2c2cccc(F)c2)c1 ZINC000775723575 628129117 /nfs/dbraw/zinc/12/91/17/628129117.db2.gz BNSHXBYPMJCTRF-INIZCTEOSA-N 1 1 287.334 3.487 20 10 CGCDMO CC(C)[C@H]1CC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000775766299 628134195 /nfs/dbraw/zinc/13/41/95/628134195.db2.gz WLGGRAADCNGACR-CQSZACIVSA-N 1 1 250.361 3.122 20 10 CGCDMO CC(C)n1ccnc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834690 628141206 /nfs/dbraw/zinc/14/12/06/628141206.db2.gz COKDBCITWDFHCK-AWEZNQCLSA-N 1 1 286.423 3.381 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCCC[C@@H](C)C2)c(O)c1 ZINC000775995480 628156797 /nfs/dbraw/zinc/15/67/97/628156797.db2.gz DXENVRYZHCOGEZ-CYBMUJFWSA-N 1 1 263.381 3.413 20 10 CGCDMO Oc1ccccc1C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000779023473 628384372 /nfs/dbraw/zinc/38/43/72/628384372.db2.gz SLIARTWRQNHJQY-OAHLLOKOSA-N 1 1 257.308 3.478 20 10 CGCDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2cc(F)ccc2O)C1(C)C ZINC000779032547 628384626 /nfs/dbraw/zinc/38/46/26/628384626.db2.gz JVILBRPSSQGUIA-ZBFHGGJFSA-N 1 1 281.371 3.167 20 10 CGCDMO OCC[C@@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000779202593 628393704 /nfs/dbraw/zinc/39/37/04/628393704.db2.gz PHQXZCAJGISCOL-SFHVURJKSA-N 1 1 297.398 3.406 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)c1 ZINC000783544946 628724087 /nfs/dbraw/zinc/72/40/87/628724087.db2.gz RWRYBOJCRXDSSP-MJBXVCDLSA-N 1 1 263.381 3.007 20 10 CGCDMO CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(Cl)c1[O-] ZINC000806150073 628930940 /nfs/dbraw/zinc/93/09/40/628930940.db2.gz KSDPAXKJVFRYRN-OAHLLOKOSA-N 1 1 294.826 3.348 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)CC1(SC)CC1 ZINC000788844107 629086044 /nfs/dbraw/zinc/08/60/44/629086044.db2.gz VNGUXIYPOJTGQY-UHFFFAOYSA-N 1 1 278.465 3.470 20 10 CGCDMO COc1ccc([N@H+](CCC[C@H](C)O)CC(C)C)cc1 ZINC000789346652 629126510 /nfs/dbraw/zinc/12/65/10/629126510.db2.gz ZYRGRYIQXNLETR-AWEZNQCLSA-N 1 1 265.397 3.319 20 10 CGCDMO COc1ccc([N@@H+](CCC[C@H](C)O)CC(C)C)cc1 ZINC000789346652 629126512 /nfs/dbraw/zinc/12/65/12/629126512.db2.gz ZYRGRYIQXNLETR-AWEZNQCLSA-N 1 1 265.397 3.319 20 10 CGCDMO Cc1c(C[N@@H+](C)Cc2c(O)ccc3ccccc32)cnn1C ZINC000790418218 629210367 /nfs/dbraw/zinc/21/03/67/629210367.db2.gz RSRYJCPZENPAPH-UHFFFAOYSA-N 1 1 295.386 3.219 20 10 CGCDMO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790958653 629242775 /nfs/dbraw/zinc/24/27/75/629242775.db2.gz KAUHOWXVRNHNFA-LKFCYVNXSA-N 1 1 289.778 3.071 20 10 CGCDMO Cc1c[nH]c(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000862221600 629325609 /nfs/dbraw/zinc/32/56/09/629325609.db2.gz ADCGBKDPAPKZEH-UHFFFAOYSA-N 1 1 286.423 3.195 20 10 CGCDMO Cc1c[nH]c(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000862221600 629325612 /nfs/dbraw/zinc/32/56/12/629325612.db2.gz ADCGBKDPAPKZEH-UHFFFAOYSA-N 1 1 286.423 3.195 20 10 CGCDMO COCC[N@@H+](Cc1cc(F)ccc1O)[C@@H]1CC[C@H](C)C1 ZINC000792193371 629347525 /nfs/dbraw/zinc/34/75/25/629347525.db2.gz UGEMSEPBASZKTI-SWLSCSKDSA-N 1 1 281.371 3.168 20 10 CGCDMO CC[C@H]1CC[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862372837 629355676 /nfs/dbraw/zinc/35/56/76/629355676.db2.gz BOJVLSFNZFWQLY-NSHDSACASA-N 1 1 254.324 3.015 20 10 CGCDMO CC[C@H]1CC[N@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862372837 629355684 /nfs/dbraw/zinc/35/56/84/629355684.db2.gz BOJVLSFNZFWQLY-NSHDSACASA-N 1 1 254.324 3.015 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cc1C ZINC000793220092 629430316 /nfs/dbraw/zinc/43/03/16/629430316.db2.gz QYCTVXITHVSIOF-SUMWQHHRSA-N 1 1 275.392 3.008 20 10 CGCDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccccc1O ZINC000793232606 629432975 /nfs/dbraw/zinc/43/29/75/629432975.db2.gz ZKWOMNIINIZXDQ-GXSJLCMTSA-N 1 1 259.271 3.165 20 10 CGCDMO COC(=O)[C@@H](C)[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000793323603 629443505 /nfs/dbraw/zinc/44/35/05/629443505.db2.gz DJDCYYQRSKEPKQ-CYBMUJFWSA-N 1 1 299.370 3.053 20 10 CGCDMO COC(=O)[C@@H](C)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000793323603 629443507 /nfs/dbraw/zinc/44/35/07/629443507.db2.gz DJDCYYQRSKEPKQ-CYBMUJFWSA-N 1 1 299.370 3.053 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)Cc2cnccc2C)c(O)c1 ZINC000793338076 629445058 /nfs/dbraw/zinc/44/50/58/629445058.db2.gz BTGWDIMCDPCFOZ-UHFFFAOYSA-N 1 1 286.375 3.126 20 10 CGCDMO COc1cccc(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)c1O ZINC000793351161 629446249 /nfs/dbraw/zinc/44/62/49/629446249.db2.gz GMAHQSKZOOGOPN-CYBMUJFWSA-N 1 1 263.381 3.411 20 10 CGCDMO CC[C@H]1CC[N@H+]1Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000793810100 629502757 /nfs/dbraw/zinc/50/27/57/629502757.db2.gz NAKLLZGHXFJFNF-ZDUSSCGKSA-N 1 1 299.370 3.316 20 10 CGCDMO Cc1ccccc1OCCC[N@@H+](C)c1ccc(N)cc1 ZINC000863557266 629604791 /nfs/dbraw/zinc/60/47/91/629604791.db2.gz KZRILTQRGODEEV-UHFFFAOYSA-N 1 1 270.376 3.483 20 10 CGCDMO Cc1ccccc1OCCC[N@H+](C)c1ccc(N)cc1 ZINC000863557266 629604793 /nfs/dbraw/zinc/60/47/93/629604793.db2.gz KZRILTQRGODEEV-UHFFFAOYSA-N 1 1 270.376 3.483 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cccc(C)n1)c1ccc(F)cc1O ZINC000796704003 629817431 /nfs/dbraw/zinc/81/74/31/629817431.db2.gz YUAXPSQEPVRNFF-OAHLLOKOSA-N 1 1 274.339 3.476 20 10 CGCDMO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000796782116 629832966 /nfs/dbraw/zinc/83/29/66/629832966.db2.gz OYHLNSAGEWTNMR-UXIGCNINSA-N 1 1 283.387 3.369 20 10 CGCDMO C[C@@H]([NH2+]Cc1cnn2ccccc12)c1ccc(F)cc1O ZINC000797057301 629879085 /nfs/dbraw/zinc/87/90/85/629879085.db2.gz OQDLXNAQDKBBET-LLVKDONJSA-N 1 1 285.322 3.030 20 10 CGCDMO CC1=CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000798090421 630021515 /nfs/dbraw/zinc/02/15/15/630021515.db2.gz KUOCERDDUCOWJC-UHFFFAOYSA-N 1 1 282.181 3.307 20 10 CGCDMO CCCC[N@@H+](Cc1ccccc1O)Cc1nccc(C)n1 ZINC000801596478 630346985 /nfs/dbraw/zinc/34/69/85/630346985.db2.gz AUKZTRNBXHIOHN-UHFFFAOYSA-N 1 1 285.391 3.293 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)Cc1nccc(C)n1 ZINC000801596478 630346987 /nfs/dbraw/zinc/34/69/87/630346987.db2.gz AUKZTRNBXHIOHN-UHFFFAOYSA-N 1 1 285.391 3.293 20 10 CGCDMO CC(C)[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)CCCO1 ZINC000840096911 630591865 /nfs/dbraw/zinc/59/18/65/630591865.db2.gz VGLGJMKGPKWDEG-GOSISDBHSA-N 1 1 289.419 3.128 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@@](C)(F)C2)c(O)cc1C ZINC000840097807 630592111 /nfs/dbraw/zinc/59/21/11/630592111.db2.gz DSXCYUAWWYTYQL-OAHLLOKOSA-N 1 1 267.344 3.033 20 10 CGCDMO CCCN(CCC[NH+](C)C)Cc1ccc(N(C)C)c(F)c1 ZINC000809757833 630801034 /nfs/dbraw/zinc/80/10/34/630801034.db2.gz YTFHWVBJUWFWRQ-UHFFFAOYSA-N 1 1 295.446 3.055 20 10 CGCDMO CCC[N@H+](CCCN(C)C)Cc1ccc(N(C)C)c(F)c1 ZINC000809757833 630801036 /nfs/dbraw/zinc/80/10/36/630801036.db2.gz YTFHWVBJUWFWRQ-UHFFFAOYSA-N 1 1 295.446 3.055 20 10 CGCDMO CCC[N@@H+](CCCN(C)C)Cc1ccc(N(C)C)c(F)c1 ZINC000809757833 630801040 /nfs/dbraw/zinc/80/10/40/630801040.db2.gz YTFHWVBJUWFWRQ-UHFFFAOYSA-N 1 1 295.446 3.055 20 10 CGCDMO CCC(CC)[N@@H+](CC)Cc1cc2c(cc1O)OCO2 ZINC000809788856 630809776 /nfs/dbraw/zinc/80/97/76/630809776.db2.gz WXGSZCKIRDWXOL-UHFFFAOYSA-N 1 1 265.353 3.131 20 10 CGCDMO CCC[N@H+](CC)C[C@H](C)N[C@@H](C)c1cc(C)ccc1O ZINC000810263784 630862752 /nfs/dbraw/zinc/86/27/52/630862752.db2.gz SWXJDSHYOTWFKT-GJZGRUSLSA-N 1 1 278.440 3.472 20 10 CGCDMO CCC[N@@H+](CC)C[C@H](C)N[C@@H](C)c1cc(C)ccc1O ZINC000810263784 630862753 /nfs/dbraw/zinc/86/27/53/630862753.db2.gz SWXJDSHYOTWFKT-GJZGRUSLSA-N 1 1 278.440 3.472 20 10 CGCDMO COc1cccc(O)c1C[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000814171853 631537167 /nfs/dbraw/zinc/53/71/67/631537167.db2.gz WOYPUPHZIJNPFE-QGZVFWFLSA-N 1 1 298.386 3.379 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000814171853 631537172 /nfs/dbraw/zinc/53/71/72/631537172.db2.gz WOYPUPHZIJNPFE-QGZVFWFLSA-N 1 1 298.386 3.379 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)Cc2ccccc2O1 ZINC000814177579 631538561 /nfs/dbraw/zinc/53/85/61/631538561.db2.gz HLCNAMRJOWLSCC-GFCCVEGCSA-N 1 1 287.334 3.314 20 10 CGCDMO CC[C@H]1CC[N@@H+]1Cc1cc(C)cc(Br)c1O ZINC000814179016 631540024 /nfs/dbraw/zinc/54/00/24/631540024.db2.gz MYYIKNXJXONFEO-NSHDSACASA-N 1 1 284.197 3.447 20 10 CGCDMO CC[C@H]1CC[N@H+]1Cc1cc(C)cc(Br)c1O ZINC000814179016 631540030 /nfs/dbraw/zinc/54/00/30/631540030.db2.gz MYYIKNXJXONFEO-NSHDSACASA-N 1 1 284.197 3.447 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815092299 631714902 /nfs/dbraw/zinc/71/49/02/631714902.db2.gz YSNWZPXOCOFUHV-MRXNPFEDSA-N 1 1 276.424 3.062 20 10 CGCDMO Cc1cc(C[N@H+]2CCCCC[C@@H]2CCO)ccc1N(C)C ZINC000815114375 631720277 /nfs/dbraw/zinc/72/02/77/631720277.db2.gz PTMYXJOVKGPUTQ-QGZVFWFLSA-N 1 1 290.451 3.188 20 10 CGCDMO C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cc[nH]c(=O)c1 ZINC000815147881 631730750 /nfs/dbraw/zinc/73/07/50/631730750.db2.gz HLEOGFHXHZESSJ-MRVPVSSYSA-N 1 1 296.729 3.136 20 10 CGCDMO CCc1nocc1C[N@@H+](C)Cc1ccc(N(C)CC)cc1 ZINC000815171056 631735783 /nfs/dbraw/zinc/73/57/83/631735783.db2.gz JZXVKCMXBIUNMZ-UHFFFAOYSA-N 1 1 287.407 3.325 20 10 CGCDMO CCc1nocc1C[N@H+](C)Cc1ccc(N(C)CC)cc1 ZINC000815171056 631735786 /nfs/dbraw/zinc/73/57/86/631735786.db2.gz JZXVKCMXBIUNMZ-UHFFFAOYSA-N 1 1 287.407 3.325 20 10 CGCDMO C[C@@H]([NH2+]CC1CC1)c1cccc(C(F)(F)F)c1O ZINC000815557571 631795872 /nfs/dbraw/zinc/79/58/72/631795872.db2.gz XYMXGJCGLDHZHE-MRVPVSSYSA-N 1 1 259.271 3.472 20 10 CGCDMO CCOC[C@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815618928 631807547 /nfs/dbraw/zinc/80/75/47/631807547.db2.gz YCEUFINGJDHCKE-VHSXEESVSA-N 1 1 291.313 3.487 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1ccc(F)cc1O ZINC000815642377 631810585 /nfs/dbraw/zinc/81/05/85/631810585.db2.gz AEQLMFJWLJYBIM-YGRLFVJLSA-N 1 1 290.338 3.434 20 10 CGCDMO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1ccc2ccccc2c1O ZINC000816513207 631999405 /nfs/dbraw/zinc/99/94/05/631999405.db2.gz JWKZZCFUQSCTMM-CZUORRHYSA-N 1 1 285.387 3.281 20 10 CGCDMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccn1 ZINC000816528770 632003964 /nfs/dbraw/zinc/00/39/64/632003964.db2.gz QZISGWUCUBCMCY-SECBINFHSA-N 1 1 280.730 3.431 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CCC(F)(F)F ZINC000816554133 632010483 /nfs/dbraw/zinc/01/04/83/632010483.db2.gz PROQUPMXIGCBEE-UHFFFAOYSA-N 1 1 271.641 3.227 20 10 CGCDMO CCOC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C(C)C ZINC000816589841 632019397 /nfs/dbraw/zinc/01/93/97/632019397.db2.gz KNFDIYZJCYRTJM-CYBMUJFWSA-N 1 1 289.778 3.335 20 10 CGCDMO CCC(CC)(C[NH2+]Cc1cc(Cl)c(F)cc1O)OC ZINC000816617256 632024752 /nfs/dbraw/zinc/02/47/52/632024752.db2.gz SPDHSRLCMFWHKO-UHFFFAOYSA-N 1 1 289.778 3.480 20 10 CGCDMO Cc1cccc(C[N@H+]2CCOC[C@@H]2CC2CCC2)c1O ZINC000816667288 632041351 /nfs/dbraw/zinc/04/13/51/632041351.db2.gz IUCOWQVXGAFJRK-INIZCTEOSA-N 1 1 275.392 3.092 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000816667066 632041535 /nfs/dbraw/zinc/04/15/35/632041535.db2.gz BWFGBTXQQQPKCP-HNNXBMFYSA-N 1 1 295.810 3.437 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000816667066 632041542 /nfs/dbraw/zinc/04/15/42/632041542.db2.gz BWFGBTXQQQPKCP-HNNXBMFYSA-N 1 1 295.810 3.437 20 10 CGCDMO CC[C@@H]1C[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000817415661 632146272 /nfs/dbraw/zinc/14/62/72/632146272.db2.gz WIBITRNOMNFKPP-VHSXEESVSA-N 1 1 287.762 3.232 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2CC[NH2+]CC2)c1[O-] ZINC000817940900 632240256 /nfs/dbraw/zinc/24/02/56/632240256.db2.gz MBLWZWRVMHGNTM-NSHDSACASA-N 1 1 282.815 3.004 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817944569 632242130 /nfs/dbraw/zinc/24/21/30/632242130.db2.gz HAXOFCJCKMEDGQ-SKDRFNHKSA-N 1 1 289.206 3.102 20 10 CGCDMO CC[C@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(C(F)(F)F)cc1[O-] ZINC000817951742 632247941 /nfs/dbraw/zinc/24/79/41/632247941.db2.gz GXDCUZVQUWIOPT-CABZTGNLSA-N 1 1 290.329 3.189 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CNCC[C@@H]2C)c1O ZINC000817968026 632261772 /nfs/dbraw/zinc/26/17/72/632261772.db2.gz GHHLILGQETYSPG-CHIMOYNISA-N 1 1 282.815 3.003 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc2ccccc2c1[O-] ZINC000817970803 632264013 /nfs/dbraw/zinc/26/40/13/632264013.db2.gz FKIUEDDLNNXRER-NFAWXSAZSA-N 1 1 284.403 3.337 20 10 CGCDMO C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc2ccccc2c1[O-] ZINC000817971672 632264316 /nfs/dbraw/zinc/26/43/16/632264316.db2.gz OVPGKUBBVWQQME-IGCXYCKISA-N 1 1 284.403 3.194 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(Cl)ccc1[O-] ZINC000817976949 632268751 /nfs/dbraw/zinc/26/87/51/632268751.db2.gz XMEOSMHHRLGRDM-DZGCQCFKSA-N 1 1 294.826 3.228 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cc(Cl)ccc1[O-] ZINC000817980442 632269766 /nfs/dbraw/zinc/26/97/66/632269766.db2.gz BBJAQCMMBLIRCU-JKOKRWQUSA-N 1 1 282.815 3.214 20 10 CGCDMO C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000817985231 632274579 /nfs/dbraw/zinc/27/45/79/632274579.db2.gz HVLCTBFKAVNPOP-LLVKDONJSA-N 1 1 280.799 3.006 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)Cc1ccncc1F ZINC000823423623 633102496 /nfs/dbraw/zinc/10/24/96/633102496.db2.gz LPAZMQZHAAGESS-UHFFFAOYSA-N 1 1 274.339 3.339 20 10 CGCDMO C[C@H]([NH2+]CC[C@@H](O)C1CCCC1)c1ccc(F)cc1O ZINC000866637821 633226205 /nfs/dbraw/zinc/22/62/05/633226205.db2.gz LPIAYFYWACJPBY-XHDPSFHLSA-N 1 1 281.371 3.123 20 10 CGCDMO CC[N@@H+](Cc1ccc(Br)cc1O)C1CC1 ZINC000824556282 633255299 /nfs/dbraw/zinc/25/52/99/633255299.db2.gz OKIMTTPHLBUJAX-UHFFFAOYSA-N 1 1 270.170 3.139 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](SC)C2)cc1 ZINC000824683579 633272487 /nfs/dbraw/zinc/27/24/87/633272487.db2.gz QLNKKHYLLZIHHC-MRXNPFEDSA-N 1 1 278.465 3.470 20 10 CGCDMO Cc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1O ZINC000824695710 633275457 /nfs/dbraw/zinc/27/54/57/633275457.db2.gz BKUGWDCMHZQVIK-BRWVUGGUSA-N 1 1 289.419 3.216 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](CCC[C@@H]2CCO2)C2CC2)cc1 ZINC000876571017 634860210 /nfs/dbraw/zinc/86/02/10/634860210.db2.gz RQMDAANXDNDLHY-GOSISDBHSA-N 1 1 288.435 3.286 20 10 CGCDMO CO[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1C ZINC000824820252 633296589 /nfs/dbraw/zinc/29/65/89/633296589.db2.gz BXDNWWGNODCJBE-YMTOWFKASA-N 1 1 287.762 3.042 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1C ZINC000824820252 633296597 /nfs/dbraw/zinc/29/65/97/633296597.db2.gz BXDNWWGNODCJBE-YMTOWFKASA-N 1 1 287.762 3.042 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)CCc2nccs2)cc1Cl ZINC000824906646 633303769 /nfs/dbraw/zinc/30/37/69/633303769.db2.gz QZJKIZBPOABGPC-UHFFFAOYSA-N 1 1 296.823 3.485 20 10 CGCDMO CCn1cc([C@@H](C)[NH2+]Cc2c(O)ccc(Cl)c2F)cn1 ZINC000825130160 633331825 /nfs/dbraw/zinc/33/18/25/633331825.db2.gz OHNZOOKALRHVEF-SECBINFHSA-N 1 1 297.761 3.252 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@]3(CCSC3)C2)c1 ZINC000825214977 633336211 /nfs/dbraw/zinc/33/62/11/633336211.db2.gz CGQFOEZIBDELQB-INIZCTEOSA-N 1 1 293.432 3.120 20 10 CGCDMO CC[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000825207856 633336361 /nfs/dbraw/zinc/33/63/61/633336361.db2.gz ORAFLCJYRKJUPI-QWHCGFSZSA-N 1 1 293.407 3.420 20 10 CGCDMO COc1ccc(N(C)Cc2c[nH+]c(C)n2C)cc1Cl ZINC000825468172 633357008 /nfs/dbraw/zinc/35/70/08/633357008.db2.gz IHDSLILZVTWMLM-UHFFFAOYSA-N 1 1 279.771 3.027 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000827370549 633485942 /nfs/dbraw/zinc/48/59/42/633485942.db2.gz GQMAWMVMZLHFMZ-CABCVRRESA-N 1 1 276.424 3.060 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@](C)(COC)C2)cc1 ZINC000830529788 633869340 /nfs/dbraw/zinc/86/93/40/633869340.db2.gz PCWFEDQJNQAWOX-QGZVFWFLSA-N 1 1 276.424 3.001 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](OC)C(C)(C)C2)cc1 ZINC000831546914 633974746 /nfs/dbraw/zinc/97/47/46/633974746.db2.gz CUGMZASGWIHPOE-QGZVFWFLSA-N 1 1 290.451 3.390 20 10 CGCDMO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cccc(C)c1O ZINC000846118541 636147707 /nfs/dbraw/zinc/14/77/07/636147707.db2.gz PCJVYNABOSCYHR-AWEZNQCLSA-N 1 1 293.407 3.253 20 10 CGCDMO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cccc(C)c1O ZINC000846118541 636147711 /nfs/dbraw/zinc/14/77/11/636147711.db2.gz PCJVYNABOSCYHR-AWEZNQCLSA-N 1 1 293.407 3.253 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000846118259 636147722 /nfs/dbraw/zinc/14/77/22/636147722.db2.gz WISIJZRRCRHKKH-QDLOVBKTSA-N 1 1 292.373 3.497 20 10 CGCDMO CCC[N@H+](CC)C[C@@H](C)N[C@H]1CCc2cccc(O)c21 ZINC000834807926 634245506 /nfs/dbraw/zinc/24/55/06/634245506.db2.gz UXPKNZVWGMAALX-HIFRSBDPSA-N 1 1 276.424 3.090 20 10 CGCDMO CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CCc2cccc(O)c21 ZINC000834807926 634245507 /nfs/dbraw/zinc/24/55/07/634245507.db2.gz UXPKNZVWGMAALX-HIFRSBDPSA-N 1 1 276.424 3.090 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)Cc2ccco2)cc1 ZINC000835025301 634324004 /nfs/dbraw/zinc/32/40/04/634324004.db2.gz HMOUTTGWLJFXHE-GQCTYLIASA-N 1 1 270.376 3.491 20 10 CGCDMO CCOC[C@@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835030013 634325687 /nfs/dbraw/zinc/32/56/87/634325687.db2.gz YTZVTYHALZMAFX-FUTAKVPZSA-N 1 1 288.435 3.124 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)CC2CCOCC2)cc1 ZINC000835029431 634325786 /nfs/dbraw/zinc/32/57/86/634325786.db2.gz QVYJYPKFTCYHCG-SNAWJCMRSA-N 1 1 288.435 3.124 20 10 CGCDMO CO[C@@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CC[C@H]1C ZINC000835045140 634332640 /nfs/dbraw/zinc/33/26/40/634332640.db2.gz JQEQOYQVTNSJEI-CDZANEANSA-N 1 1 288.435 3.123 20 10 CGCDMO CO[C@@H]1CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C[C@@H]1C ZINC000835054009 634338042 /nfs/dbraw/zinc/33/80/42/634338042.db2.gz GONXGAYFQZDQFK-RBVSRTDUSA-N 1 1 288.435 3.123 20 10 CGCDMO Cc1ccc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)c(O)c1 ZINC000876737680 634888449 /nfs/dbraw/zinc/88/84/49/634888449.db2.gz VOIRJUKEJCAQRY-SFHVURJKSA-N 1 1 297.398 3.182 20 10 CGCDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2O)C[C@@H]1C ZINC000876761188 634893647 /nfs/dbraw/zinc/89/36/47/634893647.db2.gz ZSLXKSYYEGXGCP-GOEBONIOSA-N 1 1 276.424 3.005 20 10 CGCDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2O)C[C@@H]1C ZINC000876761188 634893651 /nfs/dbraw/zinc/89/36/51/634893651.db2.gz ZSLXKSYYEGXGCP-GOEBONIOSA-N 1 1 276.424 3.005 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000877419216 635038351 /nfs/dbraw/zinc/03/83/51/635038351.db2.gz OSFWXDFHDIFFEW-UHFFFAOYSA-N 1 1 275.392 3.093 20 10 CGCDMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc(C)cc1O)C2 ZINC000877520165 635069726 /nfs/dbraw/zinc/06/97/26/635069726.db2.gz OZQDJKYLPBGHDB-UHFFFAOYSA-N 1 1 275.392 3.092 20 10 CGCDMO CC[N@H+](Cc1c(O)cc(C)cc1Cl)C[C@H]1CCOC1 ZINC000840909445 635080262 /nfs/dbraw/zinc/08/02/62/635080262.db2.gz CAWIGKXCZUNKQL-GFCCVEGCSA-N 1 1 283.799 3.212 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000840937736 635085841 /nfs/dbraw/zinc/08/58/41/635085841.db2.gz WEMNJQGXKWWMNQ-HNNXBMFYSA-N 1 1 298.377 3.265 20 10 CGCDMO CC[C@]1(CO)CCC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840940184 635087194 /nfs/dbraw/zinc/08/71/94/635087194.db2.gz VUAWHMQYKSJHDM-INIZCTEOSA-N 1 1 297.826 3.339 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000840943515 635089530 /nfs/dbraw/zinc/08/95/30/635089530.db2.gz TVUAYOOLLDJGLX-ROUUACIJSA-N 1 1 288.435 3.204 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+]1CC(C)(C)[C@H]1c1nccn1C ZINC000877559968 635090743 /nfs/dbraw/zinc/09/07/43/635090743.db2.gz BPNZIUHMQNFHBG-OAHLLOKOSA-N 1 1 285.391 3.017 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC(C)(C)[C@H]1c1nccn1C ZINC000877559968 635090748 /nfs/dbraw/zinc/09/07/48/635090748.db2.gz BPNZIUHMQNFHBG-OAHLLOKOSA-N 1 1 285.391 3.017 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c(Cl)c1 ZINC000840952503 635092565 /nfs/dbraw/zinc/09/25/65/635092565.db2.gz BRVGYPWQKSJBCO-OCCSQVGLSA-N 1 1 295.810 3.211 20 10 CGCDMO Cc1ccc(C[N@H+]2CCSC[C@@H]2C2CC2)c(O)c1 ZINC000877568277 635095207 /nfs/dbraw/zinc/09/52/07/635095207.db2.gz JMVVOZFPJAECBO-CQSZACIVSA-N 1 1 263.406 3.028 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC000840979160 635099425 /nfs/dbraw/zinc/09/94/25/635099425.db2.gz WGUHLYBSVMAOCW-CQSZACIVSA-N 1 1 275.392 3.413 20 10 CGCDMO CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841030290 635109192 /nfs/dbraw/zinc/10/91/92/635109192.db2.gz VYYBTYWSHJZJHE-NSHDSACASA-N 1 1 291.222 3.306 20 10 CGCDMO COc1ccc(CC[C@@H](C)[NH2+]c2ccc(N)cc2)cc1O ZINC000841040365 635112103 /nfs/dbraw/zinc/11/21/03/635112103.db2.gz KYVNOTIDMWPIGR-GFCCVEGCSA-N 1 1 286.375 3.416 20 10 CGCDMO CCN(CC)c1ccc(CN[C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000841073866 635117733 /nfs/dbraw/zinc/11/77/33/635117733.db2.gz ZNDKFYPGBBEVHE-KRWDZBQOSA-N 1 1 289.467 3.011 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000841088533 635120091 /nfs/dbraw/zinc/12/00/91/635120091.db2.gz YZYHVKYWKXSMMA-SWLSCSKDSA-N 1 1 294.826 3.010 20 10 CGCDMO Oc1ccc(Cl)cc1CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000841088533 635120092 /nfs/dbraw/zinc/12/00/92/635120092.db2.gz YZYHVKYWKXSMMA-SWLSCSKDSA-N 1 1 294.826 3.010 20 10 CGCDMO [O-]c1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000841088533 635120098 /nfs/dbraw/zinc/12/00/98/635120098.db2.gz YZYHVKYWKXSMMA-SWLSCSKDSA-N 1 1 294.826 3.010 20 10 CGCDMO [O-]c1ccc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000841088533 635120100 /nfs/dbraw/zinc/12/01/00/635120100.db2.gz YZYHVKYWKXSMMA-SWLSCSKDSA-N 1 1 294.826 3.010 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@H](CCF)C2)c(O)c1 ZINC000877630636 635121583 /nfs/dbraw/zinc/12/15/83/635121583.db2.gz HZLLQRYTFFNLIN-CYBMUJFWSA-N 1 1 251.345 3.272 20 10 CGCDMO Cc1ccc(C[N@@H+]2Cc3ccccc3NC(=O)[C@@H]2C)c(O)c1 ZINC000877706636 635156959 /nfs/dbraw/zinc/15/69/59/635156959.db2.gz PFNQRWIEKQZDPW-ZDUSSCGKSA-N 1 1 296.370 3.043 20 10 CGCDMO Cc1ccc(C[N@H+]2Cc3ccccc3NC(=O)[C@@H]2C)c(O)c1 ZINC000877706636 635156964 /nfs/dbraw/zinc/15/69/64/635156964.db2.gz PFNQRWIEKQZDPW-ZDUSSCGKSA-N 1 1 296.370 3.043 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccc(Cl)cc1O ZINC000841748191 635224116 /nfs/dbraw/zinc/22/41/16/635224116.db2.gz IHFRHMQYLBBWDF-ZANVPECISA-N 1 1 291.782 3.497 20 10 CGCDMO CS[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841751147 635225063 /nfs/dbraw/zinc/22/50/63/635225063.db2.gz LNVLEGMTOYEBMS-DTWKUNHWSA-N 1 1 259.802 3.448 20 10 CGCDMO CCC1(C[NH2+][C@H](C)c2ccc(Cl)cc2O)COC1 ZINC000841753319 635227589 /nfs/dbraw/zinc/22/75/89/635227589.db2.gz GQFHEUHJESFNQE-SNVBAGLBSA-N 1 1 269.772 3.123 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccc(Cl)cc1O ZINC000841757693 635231537 /nfs/dbraw/zinc/23/15/37/635231537.db2.gz PFJRBQNMMFANCW-VHSXEESVSA-N 1 1 271.788 3.246 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CC[C@H](c3cccnc3)C2)c1O ZINC000842624354 635420359 /nfs/dbraw/zinc/42/03/59/635420359.db2.gz YZEMYROWOGNFFW-HNNXBMFYSA-N 1 1 298.386 3.094 20 10 CGCDMO Cc1cc(C[N@@H+]2C[C@H](C)OCC23CCC3)ccc1N(C)C ZINC000844420444 635895372 /nfs/dbraw/zinc/89/53/72/635895372.db2.gz BHJSRUWZXDDOGL-HNNXBMFYSA-N 1 1 288.435 3.204 20 10 CGCDMO CC(C)O[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000844717654 635956724 /nfs/dbraw/zinc/95/67/24/635956724.db2.gz AJDRAHFDSBHLMA-KRWDZBQOSA-N 1 1 289.419 3.270 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](OC(C)C)C2)cc1C ZINC000844717716 635956761 /nfs/dbraw/zinc/95/67/61/635956761.db2.gz AXJJVRDSKSHKQE-MRXNPFEDSA-N 1 1 277.408 3.398 20 10 CGCDMO [O-]c1cccc(Cl)c1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000128325724 635968422 /nfs/dbraw/zinc/96/84/22/635968422.db2.gz SIOBAKZSRJHZRE-HNNXBMFYSA-N 1 1 294.826 3.010 20 10 CGCDMO CC[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(Cl)ccc1[O-] ZINC000844921755 635984094 /nfs/dbraw/zinc/98/40/94/635984094.db2.gz STCOSJNCNGODCN-CYBMUJFWSA-N 1 1 282.815 3.215 20 10 CGCDMO Cc1nc(NCc2cc(Cl)ccc2O)c(C)c(C)[nH+]1 ZINC000845709585 636084493 /nfs/dbraw/zinc/08/44/93/636084493.db2.gz VPZQBIDVPVQVSA-UHFFFAOYSA-N 1 1 277.755 3.373 20 10 CGCDMO CC[C@@H]1CCC[N@@H+](Cc2cc(OC)ccc2O)CC1 ZINC000211481069 636090829 /nfs/dbraw/zinc/09/08/29/636090829.db2.gz JAUXYBHJBSXPRS-CYBMUJFWSA-N 1 1 263.381 3.413 20 10 CGCDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000129011214 636111298 /nfs/dbraw/zinc/11/12/98/636111298.db2.gz OFUKTZNDIHHKNW-LBPRGKRZSA-N 1 1 284.444 3.465 20 10 CGCDMO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)CCO1 ZINC000883078718 636531326 /nfs/dbraw/zinc/53/13/26/636531326.db2.gz AVFFDNUOOWGJAL-JSGCOSHPSA-N 1 1 299.361 3.354 20 10 CGCDMO CC(C)C[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)CCO1 ZINC000883084461 636535587 /nfs/dbraw/zinc/53/55/87/636535587.db2.gz RWTMAQZDVYOBRW-ZIAGYGMSSA-N 1 1 299.361 3.354 20 10 CGCDMO CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2cc(F)cc(F)c2O)CCO1 ZINC000883134802 636552245 /nfs/dbraw/zinc/55/22/45/636552245.db2.gz JRERWDQHJLVYDZ-NHYWBVRUSA-N 1 1 299.361 3.211 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCCN2CCCC[C@@H]12)c1ccc(F)cc1O ZINC000848569244 636611309 /nfs/dbraw/zinc/61/13/09/636611309.db2.gz YBFKZICRLXPMPG-RCBQFDQVSA-N 1 1 292.398 3.199 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@H]2CN2CCCC2)c1O ZINC000848883962 636673835 /nfs/dbraw/zinc/67/38/35/636673835.db2.gz WDDUZZKTFBWNAP-KRWDZBQOSA-N 1 1 288.435 3.015 20 10 CGCDMO CCc1cccc(CN2CCC[C@H]2C[NH+]2CCCC2)c1O ZINC000848883962 636673841 /nfs/dbraw/zinc/67/38/41/636673841.db2.gz WDDUZZKTFBWNAP-KRWDZBQOSA-N 1 1 288.435 3.015 20 10 CGCDMO CCc1cccc(C[NH2+]Cc2nc3ccc(C)cc3[nH]2)c1O ZINC000848897610 636679790 /nfs/dbraw/zinc/67/97/90/636679790.db2.gz KFYXSRNISAUPDJ-UHFFFAOYSA-N 1 1 295.386 3.429 20 10 CGCDMO CCc1cccc(C[N@H+]2CCSC[C@H](C)C2)c1O ZINC000848906587 636684280 /nfs/dbraw/zinc/68/42/80/636684280.db2.gz WSSROINKCXNGIP-GFCCVEGCSA-N 1 1 265.422 3.140 20 10 CGCDMO CCc1cccc(C[N@H+]2CCOc3cc(O)ccc3C2)c1O ZINC000848910213 636686746 /nfs/dbraw/zinc/68/67/46/636686746.db2.gz FVHKLJGZAABRGN-UHFFFAOYSA-N 1 1 299.370 3.055 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1O ZINC000848913286 636687255 /nfs/dbraw/zinc/68/72/55/636687255.db2.gz SYMIRJVPXIEMTL-HIFRSBDPSA-N 1 1 281.346 3.432 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c1O ZINC000848919319 636690810 /nfs/dbraw/zinc/69/08/10/636690810.db2.gz JSDDDFUAJYZEHF-MRXNPFEDSA-N 1 1 282.387 3.339 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000883370468 636712767 /nfs/dbraw/zinc/71/27/67/636712767.db2.gz LZIXMIWADQSONG-HIFRSBDPSA-N 1 1 299.773 3.376 20 10 CGCDMO CC[C@H](C)[N@@H+](C)Cc1cc(Br)ccc1O ZINC000132518232 636814497 /nfs/dbraw/zinc/81/44/97/636814497.db2.gz HRAKQKFOFWIOBO-VIFPVBQESA-N 1 1 272.186 3.385 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCOC(F)F)cc1 ZINC000851715847 637473132 /nfs/dbraw/zinc/47/31/32/637473132.db2.gz COWQGJFBFNQOPS-UHFFFAOYSA-N 1 1 286.366 3.204 20 10 CGCDMO C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1c(O)cccc1F ZINC000886489144 637539486 /nfs/dbraw/zinc/53/94/86/637539486.db2.gz AWLRNROHOVEQJX-WCQYABFASA-N 1 1 292.354 3.078 20 10 CGCDMO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2c(O)cccc2F)cc1 ZINC000886509074 637545460 /nfs/dbraw/zinc/54/54/60/637545460.db2.gz ZPSBTPSXJDVTLO-MLGOLLRUSA-N 1 1 289.350 3.224 20 10 CGCDMO Cc1nc(CC[NH2+][C@H](C)c2c(O)cccc2F)sc1C ZINC000886540418 637566100 /nfs/dbraw/zinc/56/61/00/637566100.db2.gz DUUMDZCYOIKRSI-SNVBAGLBSA-N 1 1 294.395 3.498 20 10 CGCDMO CSC1(C[NH2+][C@H](C)c2c(O)cccc2F)CCOCC1 ZINC000886550240 637575750 /nfs/dbraw/zinc/57/57/50/637575750.db2.gz VNQMIECCQIWKAA-LLVKDONJSA-N 1 1 299.411 3.094 20 10 CGCDMO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886549115 637576280 /nfs/dbraw/zinc/57/62/80/637576280.db2.gz BTCMDXCWQWMSMN-JQWIXIFHSA-N 1 1 295.379 3.285 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)c1c(O)cccc1F)[C@H]1CCCO1 ZINC000886557135 637579856 /nfs/dbraw/zinc/57/98/56/637579856.db2.gz ULCXINIKFASXGZ-SCDSUCTJSA-N 1 1 267.344 3.140 20 10 CGCDMO CC[C@@H](CSC)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886561917 637582876 /nfs/dbraw/zinc/58/28/76/637582876.db2.gz MLVSNRKTZPFLPQ-ZJUUUORDSA-N 1 1 257.374 3.324 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCC(F)(F)C1)c1c(O)cccc1F ZINC000886576997 637588191 /nfs/dbraw/zinc/58/81/91/637588191.db2.gz UZYVHVVAJIIXEM-BDAKNGLRSA-N 1 1 259.271 3.370 20 10 CGCDMO CSC1(C[NH2+][C@H](C)c2c(O)cccc2F)CCC1 ZINC000886603316 637599870 /nfs/dbraw/zinc/59/98/70/637599870.db2.gz LHIAPVRVBLJXKK-SNVBAGLBSA-N 1 1 269.385 3.468 20 10 CGCDMO C[C@@H]([NH2+]CC1CC(F)(F)C1)c1c(O)cccc1F ZINC000886614523 637606843 /nfs/dbraw/zinc/60/68/43/637606843.db2.gz ZTGAGVNURRZEOF-MRVPVSSYSA-N 1 1 259.271 3.227 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1c(O)cccc1F ZINC000886623426 637614629 /nfs/dbraw/zinc/61/46/29/637614629.db2.gz DCMSTRBBRXRESH-NWDGAFQWSA-N 1 1 281.371 3.387 20 10 CGCDMO C[C@@H]([NH2+][C@H]1COCc2ccccc21)c1c(O)cccc1F ZINC000886626706 637616604 /nfs/dbraw/zinc/61/66/04/637616604.db2.gz JCTRYJMQKYYCEG-ABAIWWIYSA-N 1 1 287.334 3.453 20 10 CGCDMO CCC[C@@H](C[NH2+][C@@H](C)c1c(O)cccc1F)OCC ZINC000886641820 637624566 /nfs/dbraw/zinc/62/45/66/637624566.db2.gz SNJMLLKFSYFEQH-RYUDHWBXSA-N 1 1 269.360 3.387 20 10 CGCDMO COCC(C)(C)CC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886649770 637630360 /nfs/dbraw/zinc/63/03/60/637630360.db2.gz IILDDTNEKCOSNW-LLVKDONJSA-N 1 1 269.360 3.245 20 10 CGCDMO Cc1cc(CO)cc(NCc2ccc(N3CCCC3)cc2)[nH+]1 ZINC000853160791 637775056 /nfs/dbraw/zinc/77/50/56/637775056.db2.gz ZTFNPNRIWHEYQQ-UHFFFAOYSA-N 1 1 297.402 3.095 20 10 CGCDMO COCC[N@@H+](CCF)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000853548585 637866555 /nfs/dbraw/zinc/86/65/55/637866555.db2.gz HVHLCORCZAFCOI-UHFFFAOYSA-N 1 1 297.414 3.416 20 10 CGCDMO CC[C@@H](NCC1([NH3+])CCCC1)c1ccc(N(C)C)cc1 ZINC000854222689 638025938 /nfs/dbraw/zinc/02/59/38/638025938.db2.gz KJTIULGNTQXMKU-MRXNPFEDSA-N 1 1 275.440 3.065 20 10 CGCDMO CNC[C@@H](C)[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000854232233 638030210 /nfs/dbraw/zinc/03/02/10/638030210.db2.gz OIVFPKSESFRQNV-CRAIPNDOSA-N 1 1 298.430 3.264 20 10 CGCDMO Cc1cc[nH+]c(NCc2cc(F)c(N(C)C)cc2F)c1 ZINC000858101664 638628339 /nfs/dbraw/zinc/62/83/39/638628339.db2.gz WBZUDXYHDVCRAD-UHFFFAOYSA-N 1 1 277.318 3.346 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(F)cc(F)c1[O-] ZINC000858490522 638740415 /nfs/dbraw/zinc/74/04/15/638740415.db2.gz JTMHVVYMYBLHBN-NEPJUHHUSA-N 1 1 298.377 3.053 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(Cl)cc1O ZINC000926935965 638827395 /nfs/dbraw/zinc/82/73/95/638827395.db2.gz LJKIMWRMVBZHIZ-FMSGJZPZSA-N 1 1 293.794 3.287 20 10 CGCDMO C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1ccc(F)cc1O ZINC000927070793 638837857 /nfs/dbraw/zinc/83/78/57/638837857.db2.gz VEAQKVSKODNADF-PPHDSNJXSA-N 1 1 293.382 3.387 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)c1ncccn1 ZINC000929753129 638947139 /nfs/dbraw/zinc/94/71/39/638947139.db2.gz LYVIMWGZJVZPJT-CYBMUJFWSA-N 1 1 271.364 3.155 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2cnn(C)c2)cc1C(C)C ZINC000042093811 639910548 /nfs/dbraw/zinc/91/05/48/639910548.db2.gz AFVGYPFOQGMNGY-UHFFFAOYSA-N 1 1 287.407 3.190 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@H]2C2CCC2)c(O)cc1C ZINC000160127239 640091006 /nfs/dbraw/zinc/09/10/06/640091006.db2.gz JXTZLGRVERHUHI-HNNXBMFYSA-N 1 1 275.392 3.474 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)C(C2CC2)C2CC2)c1O ZINC000079406483 640399902 /nfs/dbraw/zinc/39/99/02/640399902.db2.gz GIJZLIBKWVERAJ-UHFFFAOYSA-N 1 1 291.366 3.354 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)C(C2CC2)C2CC2)c1O ZINC000079406483 640399910 /nfs/dbraw/zinc/39/99/10/640399910.db2.gz GIJZLIBKWVERAJ-UHFFFAOYSA-N 1 1 291.366 3.354 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](C(F)F)C2)cc1C(C)C ZINC000193437563 640458356 /nfs/dbraw/zinc/45/83/56/640458356.db2.gz ODWYFOJEJRWJAE-OAHLLOKOSA-N 1 1 299.361 3.290 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@@H](C(F)F)C2)cc1C(C)C ZINC000193437563 640458365 /nfs/dbraw/zinc/45/83/65/640458365.db2.gz ODWYFOJEJRWJAE-OAHLLOKOSA-N 1 1 299.361 3.290 20 10 CGCDMO CC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H](C)O1 ZINC000092487145 640737180 /nfs/dbraw/zinc/73/71/80/640737180.db2.gz UPPGBMOENXYHHQ-GWCFXTLKSA-N 1 1 269.772 3.045 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@H](C)O1 ZINC000092487145 640737187 /nfs/dbraw/zinc/73/71/87/640737187.db2.gz UPPGBMOENXYHHQ-GWCFXTLKSA-N 1 1 269.772 3.045 20 10 CGCDMO CSC[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000093760562 640781460 /nfs/dbraw/zinc/78/14/60/640781460.db2.gz JIEWUJKSDMNNDJ-OAHLLOKOSA-N 1 1 264.438 3.080 20 10 CGCDMO CC[N@H+](Cc1cc(C)c(C)cc1O)C[C@H]1CCCO1 ZINC000098051748 640893236 /nfs/dbraw/zinc/89/32/36/640893236.db2.gz GHQIPMAWVHPHQV-OAHLLOKOSA-N 1 1 263.381 3.010 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)C[C@](C)(O)c1ccccc1 ZINC001253103498 806168599 /nfs/dbraw/zinc/16/85/99/806168599.db2.gz DRGCVNGHCCXBIY-SFHVURJKSA-N 1 1 285.387 3.122 20 10 CGCDMO CC[C@H]1CCCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000037322991 798866218 /nfs/dbraw/zinc/86/62/18/798866218.db2.gz MNYOOGHXWWNREK-AWEZNQCLSA-N 1 1 279.355 3.498 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C)c1O ZINC000037911478 798878825 /nfs/dbraw/zinc/87/88/25/798878825.db2.gz VVGUDXAPJXGXOK-SECBINFHSA-N 1 1 267.756 3.233 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000310725017 799222529 /nfs/dbraw/zinc/22/25/29/799222529.db2.gz SXRBZSAPWFQQEF-QMMMGPOBSA-N 1 1 279.689 3.430 20 10 CGCDMO C[C@@H]1COCCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000398921984 799533318 /nfs/dbraw/zinc/53/33/18/799533318.db2.gz LWEKDDFFWMKZNY-CYBMUJFWSA-N 1 1 271.360 3.156 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1ccc(F)cc1O ZINC000690398779 799775455 /nfs/dbraw/zinc/77/54/55/799775455.db2.gz VGUZIZRGLKKZMW-WCQYABFASA-N 1 1 280.387 3.055 20 10 CGCDMO COC[C@@H]1CCCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000696612945 799841527 /nfs/dbraw/zinc/84/15/27/799841527.db2.gz ZOZIAFLZJRQOSX-GFCCVEGCSA-N 1 1 283.799 3.294 20 10 CGCDMO CC(C)O[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000701719964 799893767 /nfs/dbraw/zinc/89/37/67/799893767.db2.gz KKZBEMLRFAMITQ-LLVKDONJSA-N 1 1 269.772 3.045 20 10 CGCDMO C[C@H]1[N@H+](Cc2cc(Cl)ccc2O)CCOC1(C)C ZINC000707700844 799978632 /nfs/dbraw/zinc/97/86/32/799978632.db2.gz PNENETKDIKJLHJ-SNVBAGLBSA-N 1 1 269.772 3.045 20 10 CGCDMO C[C@H]1[N@@H+](Cc2cc(Cl)ccc2O)CCOC1(C)C ZINC000707700844 799978636 /nfs/dbraw/zinc/97/86/36/799978636.db2.gz PNENETKDIKJLHJ-SNVBAGLBSA-N 1 1 269.772 3.045 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CCCc2occc21 ZINC000708465513 799987945 /nfs/dbraw/zinc/98/79/45/799987945.db2.gz JEXTWIINTUTUIV-ZDUSSCGKSA-N 1 1 279.286 3.431 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CC12CCCC2 ZINC000708388689 799988569 /nfs/dbraw/zinc/98/85/69/799988569.db2.gz IBUAOULHMFCUBW-LBPRGKRZSA-N 1 1 253.292 3.093 20 10 CGCDMO C[C@]1(C[NH2+]Cc2cc(F)cc(F)c2O)CCCS1 ZINC000708466160 799988713 /nfs/dbraw/zinc/98/87/13/799988713.db2.gz NZTTVJDTHKAACS-CYBMUJFWSA-N 1 1 273.348 3.046 20 10 CGCDMO CS[C@@H]1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708466986 799989026 /nfs/dbraw/zinc/98/90/26/799989026.db2.gz WWFDGIXHPUWXRI-WDEREUQCSA-N 1 1 273.348 3.044 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCC1=CCCC1 ZINC000708535704 799990614 /nfs/dbraw/zinc/99/06/14/799990614.db2.gz POKUMTVYKWJOLT-UHFFFAOYSA-N 1 1 253.292 3.260 20 10 CGCDMO CC(C)(C)SCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708481685 799991010 /nfs/dbraw/zinc/99/10/10/799991010.db2.gz SYFSHQYMPABKIE-UHFFFAOYSA-N 1 1 275.364 3.292 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)c1 ZINC000708617893 799992336 /nfs/dbraw/zinc/99/23/36/799992336.db2.gz IVWRQGJSDLIKTC-CYBMUJFWSA-N 1 1 289.297 3.175 20 10 CGCDMO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2O)C12CCC2 ZINC000713482994 800110916 /nfs/dbraw/zinc/11/09/16/800110916.db2.gz XCZSZNSUOGLTCC-COLVAYQJSA-N 1 1 279.355 3.140 20 10 CGCDMO CCC1([NH+](C)C)CCN(Cc2cc(C)ccc2O)CC1 ZINC000715200975 800132779 /nfs/dbraw/zinc/13/27/79/800132779.db2.gz VRXQFSDPIAVLMP-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)CCCF)c1O ZINC000716661205 800179437 /nfs/dbraw/zinc/17/94/37/800179437.db2.gz SHNXDESXWWUSSF-UHFFFAOYSA-N 1 1 273.735 3.040 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCCF)c1O ZINC000716661205 800179439 /nfs/dbraw/zinc/17/94/39/800179439.db2.gz SHNXDESXWWUSSF-UHFFFAOYSA-N 1 1 273.735 3.040 20 10 CGCDMO C[C@H]([NH2+][C@H](CCO)C1CCCC1)c1ccc(F)cc1O ZINC000725086476 800372411 /nfs/dbraw/zinc/37/24/11/800372411.db2.gz SEPYGQQOYMBZLE-XHDPSFHLSA-N 1 1 281.371 3.123 20 10 CGCDMO COc1cccc(C[C@H](C)[N@@H+](C)Cc2ccccc2O)c1 ZINC001256167247 806842308 /nfs/dbraw/zinc/84/23/08/806842308.db2.gz KHQZVQWOSCDUFH-AWEZNQCLSA-N 1 1 285.387 3.464 20 10 CGCDMO C[C@H](C[N@H+]1CCCc2cc(O)c(O)cc2C1)C(F)(F)F ZINC001208892062 813883548 /nfs/dbraw/zinc/88/35/48/813883548.db2.gz NHYDJVOCIODBKJ-SECBINFHSA-N 1 1 289.297 3.044 20 10 CGCDMO C[C@@H]1CCC[N@H+](Cc2c(O)cccc2F)C[C@@H]1C ZINC001137831757 803777051 /nfs/dbraw/zinc/77/70/51/803777051.db2.gz MKJSONBQXXXGDH-NEPJUHHUSA-N 1 1 251.345 3.399 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2c(O)cccc2F)C[C@@H]1C ZINC001137831757 803777062 /nfs/dbraw/zinc/77/70/62/803777062.db2.gz MKJSONBQXXXGDH-NEPJUHHUSA-N 1 1 251.345 3.399 20 10 CGCDMO [O-]c1cccc(F)c1C[N@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001137841693 803780003 /nfs/dbraw/zinc/78/00/03/803780003.db2.gz QGGFIRMSKHITHO-MRXNPFEDSA-N 1 1 293.382 3.312 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001137841693 803780008 /nfs/dbraw/zinc/78/00/08/803780008.db2.gz QGGFIRMSKHITHO-MRXNPFEDSA-N 1 1 293.382 3.312 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001137841693 803780011 /nfs/dbraw/zinc/78/00/11/803780011.db2.gz QGGFIRMSKHITHO-MRXNPFEDSA-N 1 1 293.382 3.312 20 10 CGCDMO [O-]c1cccc(F)c1C[N@H+]1CCOC[C@H]1C1CCCCC1 ZINC001137841692 803781478 /nfs/dbraw/zinc/78/14/78/803781478.db2.gz QGGFIRMSKHITHO-INIZCTEOSA-N 1 1 293.382 3.312 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1CCOC[C@H]1C1CCCCC1 ZINC001137841692 803781483 /nfs/dbraw/zinc/78/14/83/803781483.db2.gz QGGFIRMSKHITHO-INIZCTEOSA-N 1 1 293.382 3.312 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1CCOC[C@H]1C1CCCCC1 ZINC001137841692 803781489 /nfs/dbraw/zinc/78/14/89/803781489.db2.gz QGGFIRMSKHITHO-INIZCTEOSA-N 1 1 293.382 3.312 20 10 CGCDMO Cc1cc(CN(C)[C@H]2CC[N@@H+](C)C2)c(C)n1-c1ccccc1 ZINC001137857993 803785395 /nfs/dbraw/zinc/78/53/95/803785395.db2.gz RTNXXHQSSZADAA-IBGZPJMESA-N 1 1 297.446 3.230 20 10 CGCDMO Cc1cc(C[N@@H+](C)[C@H]2CCN(C)C2)c(C)n1-c1ccccc1 ZINC001137857993 803785399 /nfs/dbraw/zinc/78/53/99/803785399.db2.gz RTNXXHQSSZADAA-IBGZPJMESA-N 1 1 297.446 3.230 20 10 CGCDMO Cc1cc(C[N@H+](C)[C@H]2CCN(C)C2)c(C)n1-c1ccccc1 ZINC001137857993 803785403 /nfs/dbraw/zinc/78/54/03/803785403.db2.gz RTNXXHQSSZADAA-IBGZPJMESA-N 1 1 297.446 3.230 20 10 CGCDMO C[C@]1(F)CCC[N@H+](Cc2cccc(F)c2O)CC1 ZINC001138122673 803864355 /nfs/dbraw/zinc/86/43/55/803864355.db2.gz UEUHDMYQVVBLGW-AWEZNQCLSA-N 1 1 255.308 3.245 20 10 CGCDMO C[C@]1(F)CCC[N@@H+](Cc2cccc(F)c2O)CC1 ZINC001138122673 803864364 /nfs/dbraw/zinc/86/43/64/803864364.db2.gz UEUHDMYQVVBLGW-AWEZNQCLSA-N 1 1 255.308 3.245 20 10 CGCDMO CC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001138222267 803874426 /nfs/dbraw/zinc/87/44/26/803874426.db2.gz OSRPNJDFIXFPHW-SFHVURJKSA-N 1 1 286.419 3.230 20 10 CGCDMO Cc1c(C[N@@H+]2CC[C@@H](N3CCCC3)C2)c2ccccc2n1C ZINC001138257057 803881209 /nfs/dbraw/zinc/88/12/09/803881209.db2.gz UKOZXSWFFWEEEZ-MRXNPFEDSA-N 1 1 297.446 3.157 20 10 CGCDMO Cc1c(C[N@H+]2CC[C@@H](N3CCCC3)C2)c2ccccc2n1C ZINC001138257057 803881217 /nfs/dbraw/zinc/88/12/17/803881217.db2.gz UKOZXSWFFWEEEZ-MRXNPFEDSA-N 1 1 297.446 3.157 20 10 CGCDMO Cc1c(C[N@H+]2CCCOC(C)(C)C2)c2ccccc2n1C ZINC001138256991 803881332 /nfs/dbraw/zinc/88/13/32/803881332.db2.gz RIQSKMOIUSNXPE-UHFFFAOYSA-N 1 1 286.419 3.488 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H]2C)c(OC)c1 ZINC001138386826 803913157 /nfs/dbraw/zinc/91/31/57/803913157.db2.gz XOHKXDGHCUHAAC-CYBMUJFWSA-N 1 1 262.397 3.136 20 10 CGCDMO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)CC2)ccc1N(C)C ZINC001139669790 804247187 /nfs/dbraw/zinc/24/71/87/804247187.db2.gz OAEDJQNGRGPVRW-QAPCUYQASA-N 1 1 290.451 3.044 20 10 CGCDMO Cc1cc(C[NH+]2CC(Oc3ccccc3)C2)ccc1N(C)C ZINC001139670510 804248347 /nfs/dbraw/zinc/24/83/47/804248347.db2.gz AAWJEYODKQJTDY-UHFFFAOYSA-N 1 1 296.414 3.324 20 10 CGCDMO CC[C@@H]1C[C@H](NCc2ccc(OC)c(C)c2)C[C@H](CC)[NH2+]1 ZINC001246345775 804295959 /nfs/dbraw/zinc/29/59/59/804295959.db2.gz KRIJMCWIOSQKGB-FVQHAEBGSA-N 1 1 290.451 3.402 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1cc3ccccc3cn1)CC2 ZINC001140001249 804350852 /nfs/dbraw/zinc/35/08/52/804350852.db2.gz IYRMAHNKUMHJNL-UHFFFAOYSA-N 1 1 290.366 3.499 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C[C@H]1C ZINC001140057829 804365725 /nfs/dbraw/zinc/36/57/25/804365725.db2.gz PHRHVNPJQHWNEN-VXGBXAGGSA-N 1 1 251.345 3.399 20 10 CGCDMO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1c(O)cccc1Br ZINC001140098747 804378087 /nfs/dbraw/zinc/37/80/87/804378087.db2.gz LCJCDWNUINJMTK-RKDXNWHRSA-N 1 1 288.160 3.087 20 10 CGCDMO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1c(O)cccc1Br ZINC001140098747 804378094 /nfs/dbraw/zinc/37/80/94/804378094.db2.gz LCJCDWNUINJMTK-RKDXNWHRSA-N 1 1 288.160 3.087 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)c1O ZINC001140179490 804395973 /nfs/dbraw/zinc/39/59/73/804395973.db2.gz FGRRCYCLRSHMQF-GOEBONIOSA-N 1 1 275.392 3.010 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCn3cccc3[C@@H]2C)c1O ZINC001140183763 804396242 /nfs/dbraw/zinc/39/62/42/804396242.db2.gz IPFHGDCJVGCOPC-AWEZNQCLSA-N 1 1 270.376 3.387 20 10 CGCDMO Cc1ccc(C)c(C[N@H+](C)CC(=O)c2ccccc2)c1O ZINC001140183682 804397365 /nfs/dbraw/zinc/39/73/65/804397365.db2.gz GFBGFSALQZBCBQ-UHFFFAOYSA-N 1 1 283.371 3.324 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+](C)CC(=O)c2ccccc2)c1O ZINC001140183682 804397374 /nfs/dbraw/zinc/39/73/74/804397374.db2.gz GFBGFSALQZBCBQ-UHFFFAOYSA-N 1 1 283.371 3.324 20 10 CGCDMO COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC001140339909 804419442 /nfs/dbraw/zinc/41/94/42/804419442.db2.gz OXWJPQWHTBXAIU-WBMJQRKESA-N 1 1 295.810 3.294 20 10 CGCDMO COCC[C@H]1CCCC[N@H+]1Cc1c(O)cccc1Cl ZINC001140344731 804419780 /nfs/dbraw/zinc/41/97/80/804419780.db2.gz KWESVPBSISAMRE-GFCCVEGCSA-N 1 1 283.799 3.437 20 10 CGCDMO Cc1cc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)ccc1O ZINC001140576066 804464703 /nfs/dbraw/zinc/46/47/03/804464703.db2.gz JHPILPGUXZPCSH-UHFFFAOYSA-N 1 1 299.370 3.060 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@@](C)(F)C2)c1 ZINC001140619451 804476766 /nfs/dbraw/zinc/47/67/66/804476766.db2.gz DDTKNMQIGYINOJ-OAHLLOKOSA-N 1 1 251.345 3.415 20 10 CGCDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140923431 804550421 /nfs/dbraw/zinc/55/04/21/804550421.db2.gz AFMXNQRTZZPQLI-OAHLLOKOSA-N 1 1 296.842 3.407 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCc3nc(Cl)ccc3C2)c(O)c1 ZINC001140950259 804557649 /nfs/dbraw/zinc/55/76/49/804557649.db2.gz XUAHEBGQCFUDTP-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1ccc(C[N@H+]2CCc3nc(Cl)ccc3C2)c(O)c1 ZINC001140950259 804557654 /nfs/dbraw/zinc/55/76/54/804557654.db2.gz XUAHEBGQCFUDTP-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC001141160017 804599741 /nfs/dbraw/zinc/59/97/41/804599741.db2.gz PHXUPJFHEWWNJK-WFASDCNBSA-N 1 1 261.365 3.252 20 10 CGCDMO C[N@@H+](CCCc1ccccc1)Cc1cc(O)ccc1O ZINC001141158893 804600604 /nfs/dbraw/zinc/60/06/04/804600604.db2.gz QMSZVHCDXIHEPN-UHFFFAOYSA-N 1 1 271.360 3.162 20 10 CGCDMO Oc1ccc(O)c(C[N@@H+]2CC=C(c3ccccc3)CC2)c1 ZINC001141161506 804601318 /nfs/dbraw/zinc/60/13/18/804601318.db2.gz SKMBOEOVUWDTFM-UHFFFAOYSA-N 1 1 281.355 3.387 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(-c2noc([C@H](C)[NH3+])n2)cc1 ZINC001247595183 804778888 /nfs/dbraw/zinc/77/88/88/804778888.db2.gz WZDMASFWZLGKGC-LBPRGKRZSA-N 1 1 282.347 3.164 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)CC[C@@H]1O ZINC001143103390 804800972 /nfs/dbraw/zinc/80/09/72/804800972.db2.gz BSQRAHGWGDFDSR-CJNGLKHVSA-N 1 1 291.435 3.283 20 10 CGCDMO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@H]2C(C)(C)O)c1O ZINC001143111668 804802795 /nfs/dbraw/zinc/80/27/95/804802795.db2.gz DYLIAXWBXVMCPU-HNNXBMFYSA-N 1 1 291.435 3.425 20 10 CGCDMO CC(C)(C)c1cccc(C[N@H+]2CC[C@@]23CCOC3)c1O ZINC001143117049 804805005 /nfs/dbraw/zinc/80/50/05/804805005.db2.gz QRUUKKXQJMJBII-KRWDZBQOSA-N 1 1 275.392 3.055 20 10 CGCDMO CC[C@@H](c1ccccc1)[N@@H+](C)Cc1c(O)cc(O)cc1O ZINC001144514549 804997516 /nfs/dbraw/zinc/99/75/16/804997516.db2.gz KHFCMPYMWSEJPJ-HNNXBMFYSA-N 1 1 287.359 3.387 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)C1C[C@@H](C)O[C@H](C)C1 ZINC001257099134 807051721 /nfs/dbraw/zinc/05/17/21/807051721.db2.gz MOIXSDKIPDDIPI-CHWSQXEVSA-N 1 1 263.381 3.170 20 10 CGCDMO C[C@H](Cc1ccco1)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001258200746 807361387 /nfs/dbraw/zinc/36/13/87/807361387.db2.gz WLZFJVHVYWEQCP-CQSZACIVSA-N 1 1 272.392 3.409 20 10 CGCDMO C[C@H](CC1CC1)[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001258469771 807468324 /nfs/dbraw/zinc/46/83/24/807468324.db2.gz BVWLRKWJJOSXMC-LLVKDONJSA-N 1 1 261.365 3.035 20 10 CGCDMO CC[C@H](C)OCC[C@H](C)[N@@H+](C)Cc1ccccc1O ZINC001172352761 808249985 /nfs/dbraw/zinc/24/99/85/808249985.db2.gz JEROFASBMYNGSV-KBPBESRZSA-N 1 1 265.397 3.418 20 10 CGCDMO C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c([O-])cccc3Cl)(C1)CCC2 ZINC001275216787 808922659 /nfs/dbraw/zinc/92/26/59/808922659.db2.gz CRMBGRJSAMVNTQ-JKSUJKDBSA-N 1 1 294.826 3.200 20 10 CGCDMO Oc1cccc(NC2=CCC[N@@H+](Cc3ccccc3)C2)c1O ZINC001174396596 808994647 /nfs/dbraw/zinc/99/46/47/808994647.db2.gz IZZAREGULOPDOO-UHFFFAOYSA-N 1 1 296.370 3.300 20 10 CGCDMO CC[N@H+](CCNCc1c(C)c2ccccc2n1C)C(C)C ZINC001177612142 809811774 /nfs/dbraw/zinc/81/17/74/809811774.db2.gz OYKYORATRAJLAZ-UHFFFAOYSA-N 1 1 287.451 3.307 20 10 CGCDMO CC[N@@H+](CCNCc1c(C)c2ccccc2n1C)C(C)C ZINC001177612142 809811779 /nfs/dbraw/zinc/81/17/79/809811779.db2.gz OYKYORATRAJLAZ-UHFFFAOYSA-N 1 1 287.451 3.307 20 10 CGCDMO CCC[N@@H+](CC)C[C@H](C)NCc1ccc2c(c1)CCCO2 ZINC001178855498 809891672 /nfs/dbraw/zinc/89/16/72/809891672.db2.gz KEGUZDQWJDFFQF-HNNXBMFYSA-N 1 1 290.451 3.222 20 10 CGCDMO CCCN(CC)C[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001178855498 809891678 /nfs/dbraw/zinc/89/16/78/809891678.db2.gz KEGUZDQWJDFFQF-HNNXBMFYSA-N 1 1 290.451 3.222 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@H](C3CC3)C2)cc1 ZINC001180082804 809972058 /nfs/dbraw/zinc/97/20/58/809972058.db2.gz TVEXINRVLRZPLE-LIMHQNJXSA-N 1 1 270.420 3.498 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)Cc2scnc2C)c(O)c1 ZINC001180213077 809984594 /nfs/dbraw/zinc/98/45/94/809984594.db2.gz OJGCPMMNRWFBLU-UHFFFAOYSA-N 1 1 292.404 3.106 20 10 CGCDMO C[C@H](c1ccco1)[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001180392246 809997845 /nfs/dbraw/zinc/99/78/45/809997845.db2.gz CFXCJDOETQWDAB-SECBINFHSA-N 1 1 267.275 3.456 20 10 CGCDMO C[C@H](c1ccco1)[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001180392246 809997848 /nfs/dbraw/zinc/99/78/48/809997848.db2.gz CFXCJDOETQWDAB-SECBINFHSA-N 1 1 267.275 3.456 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+](CC1CC1)C1CCC1 ZINC001181214771 810043720 /nfs/dbraw/zinc/04/37/20/810043720.db2.gz XFAJZADYCUVQNR-UHFFFAOYSA-N 1 1 267.319 3.435 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+](CC1CC1)C1CCC1 ZINC001181214771 810043723 /nfs/dbraw/zinc/04/37/23/810043723.db2.gz XFAJZADYCUVQNR-UHFFFAOYSA-N 1 1 267.319 3.435 20 10 CGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC3(CCC3)C2)cc1F ZINC001181322661 810047273 /nfs/dbraw/zinc/04/72/73/810047273.db2.gz GQGZALVERIIUAP-UHFFFAOYSA-N 1 1 280.362 3.407 20 10 CGCDMO Cc1nc2ccccc2nc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC001183454560 810148913 /nfs/dbraw/zinc/14/89/13/810148913.db2.gz LWSFWYHKAKNINZ-UHFFFAOYSA-N 1 1 291.354 3.160 20 10 CGCDMO Cc1nc2ccccc2nc1C[N@H+]1Cc2cccc(O)c2C1 ZINC001183454560 810148916 /nfs/dbraw/zinc/14/89/16/810148916.db2.gz LWSFWYHKAKNINZ-UHFFFAOYSA-N 1 1 291.354 3.160 20 10 CGCDMO Cc1ncccc1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC001203320720 812310604 /nfs/dbraw/zinc/31/06/04/812310604.db2.gz MXXFTDMWKATYSC-UHFFFAOYSA-N 1 1 280.730 3.178 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCCC[C@@H](F)C1 ZINC001203651521 812415961 /nfs/dbraw/zinc/41/59/61/812415961.db2.gz QNXFOGBNEOLPGM-GFCCVEGCSA-N 1 1 257.736 3.370 20 10 CGCDMO COCC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1O ZINC001203657357 812419453 /nfs/dbraw/zinc/41/94/53/812419453.db2.gz JNKORUUJIWXECV-CQSZACIVSA-N 1 1 283.799 3.437 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]2Cc2ccccn2)c1 ZINC001203677914 812427175 /nfs/dbraw/zinc/42/71/75/812427175.db2.gz AFXIVGCPADRDAX-MRXNPFEDSA-N 1 1 298.386 3.003 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](O)[C@H](C)C2)cc1 ZINC001203940298 812497643 /nfs/dbraw/zinc/49/76/43/812497643.db2.gz LONIGDWMYMURPZ-CRAIPNDOSA-N 1 1 290.451 3.126 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](O)[C@@H](C)C2)cc1 ZINC001203940302 812497662 /nfs/dbraw/zinc/49/76/62/812497662.db2.gz LONIGDWMYMURPZ-YJBOKZPZSA-N 1 1 290.451 3.126 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](F)C[C@H]2C)cc1 ZINC001203936868 812497804 /nfs/dbraw/zinc/49/78/04/812497804.db2.gz QAJJVCLRYRFKGW-UKRRQHHQSA-N 1 1 264.388 3.465 20 10 CGCDMO CCN(CC)c1ccc(C[NH+]2CC(OC(C)C)C2)cc1 ZINC001203943370 812499641 /nfs/dbraw/zinc/49/96/41/812499641.db2.gz YRMBNZYPVGNIOE-UHFFFAOYSA-N 1 1 276.424 3.142 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC3(COC3)C2)c2ccccc21 ZINC001204236951 812582168 /nfs/dbraw/zinc/58/21/68/812582168.db2.gz YNSYKPCHHIPYMO-UHFFFAOYSA-N 1 1 296.414 3.128 20 10 CGCDMO C[N@@H+](Cc1ccc(O)cc1O)Cc1cccc(F)c1F ZINC001204277496 812593429 /nfs/dbraw/zinc/59/34/29/812593429.db2.gz FGGYUCMPYKYNJE-UHFFFAOYSA-N 1 1 279.286 3.008 20 10 CGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001204324964 812612513 /nfs/dbraw/zinc/61/25/13/812612513.db2.gz PTCCLTUTSYMFNX-SFHVURJKSA-N 1 1 286.419 3.042 20 10 CGCDMO COC[C@H]1CCCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204325633 812614133 /nfs/dbraw/zinc/61/41/33/812614133.db2.gz RVOZAJVZIHYSGE-GOSISDBHSA-N 1 1 288.435 3.288 20 10 CGCDMO COCC[N@@H+](Cc1ccc(N2CCCC2)cc1)C(C)C ZINC001204326960 812614887 /nfs/dbraw/zinc/61/48/87/812614887.db2.gz JWGXERRVLUKGDZ-UHFFFAOYSA-N 1 1 276.424 3.144 20 10 CGCDMO COc1cc(C[N@@H+]2Cc3ccccc3C[C@H]2C)cc(O)c1O ZINC001204345102 812616706 /nfs/dbraw/zinc/61/67/06/812616706.db2.gz HOMWTTYDIRAWOD-GFCCVEGCSA-N 1 1 299.370 3.053 20 10 CGCDMO COc1cc(C[N@H+]2Cc3ccccc3C[C@H]2C)cc(O)c1O ZINC001204345102 812616711 /nfs/dbraw/zinc/61/67/11/812616711.db2.gz HOMWTTYDIRAWOD-GFCCVEGCSA-N 1 1 299.370 3.053 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c1 ZINC001205341017 812962905 /nfs/dbraw/zinc/96/29/05/812962905.db2.gz RIEXXEDTXHQLDX-HIFRSBDPSA-N 1 1 277.408 3.108 20 10 CGCDMO C[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)CC[C@@H]1C[NH3+] ZINC001205635995 813037092 /nfs/dbraw/zinc/03/70/92/813037092.db2.gz BQLPOSMDYXVFDE-GOEBONIOSA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)CC[C@@H]1C[NH3+] ZINC001205635995 813037098 /nfs/dbraw/zinc/03/70/98/813037098.db2.gz BQLPOSMDYXVFDE-GOEBONIOSA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@@H]1CC[C@H](CN)[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001205843073 813104580 /nfs/dbraw/zinc/10/45/80/813104580.db2.gz RDBRUNJARHXALO-CXAGYDPISA-N 1 1 284.403 3.105 20 10 CGCDMO Cc1ccc(C[N@H+]2Cc3ccccc3O[C@@H](C)C2)c(O)c1 ZINC001206062906 813187041 /nfs/dbraw/zinc/18/70/41/813187041.db2.gz GCBDZFHEBTXWMP-AWEZNQCLSA-N 1 1 283.371 3.484 20 10 CGCDMO CC[N@H+](Cc1coc(C)n1)Cc1ccc(N(C)C)cc1 ZINC001206086639 813196009 /nfs/dbraw/zinc/19/60/09/813196009.db2.gz FYHKSNZOPSFLRW-UHFFFAOYSA-N 1 1 273.380 3.071 20 10 CGCDMO CC[N@@H+](Cc1coc(C)n1)Cc1ccc(N(C)C)cc1 ZINC001206086639 813196010 /nfs/dbraw/zinc/19/60/10/813196010.db2.gz FYHKSNZOPSFLRW-UHFFFAOYSA-N 1 1 273.380 3.071 20 10 CGCDMO COc1ccc(N(C)CC[N@@H+](C)CC2(C(C)C)CC2)cc1 ZINC001206545154 813346359 /nfs/dbraw/zinc/34/63/59/813346359.db2.gz RZPLWUOAPVZVAV-UHFFFAOYSA-N 1 1 290.451 3.499 20 10 CGCDMO CCc1nccc(C[N@@H+](CC)Cc2ccc(N(C)C)cc2)n1 ZINC001207090584 813484198 /nfs/dbraw/zinc/48/41/98/813484198.db2.gz YZICGEZHDMXTJK-UHFFFAOYSA-N 1 1 298.434 3.127 20 10 CGCDMO Cc1cncc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC001207162402 813501316 /nfs/dbraw/zinc/50/13/16/813501316.db2.gz INZRATDWAQMTJQ-UHFFFAOYSA-N 1 1 269.392 3.088 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@@H]2CCOC(C)(C)C2)cc1 ZINC001207367798 813553516 /nfs/dbraw/zinc/55/35/16/813553516.db2.gz VWAWURHMPUQGKZ-MRXNPFEDSA-N 1 1 290.451 3.390 20 10 CGCDMO C[C@H]1CC([NH2+]Cc2c(O)cccc2F)C[C@H](C)C1 ZINC001207621814 813619417 /nfs/dbraw/zinc/61/94/17/813619417.db2.gz JZMZKSYCGSYGEU-GHMZBOCLSA-N 1 1 251.345 3.446 20 10 CGCDMO Oc1cccc2c1C[N@@H+](CCc1cccs1)CC2 ZINC001209226228 813974173 /nfs/dbraw/zinc/97/41/73/813974173.db2.gz OYHMPHOOQZOFSN-UHFFFAOYSA-N 1 1 259.374 3.055 20 10 CGCDMO CC[N@@H+](Cc1ccc(-n2c(C)ccc2C)cc1)C1COC1 ZINC001209517509 814071608 /nfs/dbraw/zinc/07/16/08/814071608.db2.gz DILSDNWNJIFUFR-UHFFFAOYSA-N 1 1 284.403 3.315 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCOCC23CC3)cc1 ZINC001209520180 814073595 /nfs/dbraw/zinc/07/35/95/814073595.db2.gz PXTJQELJKQOYGR-UHFFFAOYSA-N 1 1 296.414 3.459 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCOCC23CC3)cc1 ZINC001209520180 814073600 /nfs/dbraw/zinc/07/36/00/814073600.db2.gz PXTJQELJKQOYGR-UHFFFAOYSA-N 1 1 296.414 3.459 20 10 CGCDMO Cc1cc(C)c(C[N@@H+]2CCNC[C@H]2c2ccccc2)c(O)c1 ZINC001210225977 814352939 /nfs/dbraw/zinc/35/29/39/814352939.db2.gz AHDCYNWDHCMFEC-SFHVURJKSA-N 1 1 296.414 3.156 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCNC[C@H]2c2ccccc2)c(O)c1 ZINC001210225977 814352949 /nfs/dbraw/zinc/35/29/49/814352949.db2.gz AHDCYNWDHCMFEC-SFHVURJKSA-N 1 1 296.414 3.156 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCCC1=O ZINC001231587539 818128943 /nfs/dbraw/zinc/12/89/43/818128943.db2.gz FCNIYPWEFASTFS-CYBMUJFWSA-N 1 1 283.371 3.346 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001231587005 818129677 /nfs/dbraw/zinc/12/96/77/818129677.db2.gz PESHWAKZWQHYRS-DUVNUKRYSA-N 1 1 271.335 3.335 20 10 CGCDMO Cc1cccc(C[N@@H+]2CCc3nc(Cl)ccc3C2)c1O ZINC001231593444 818131459 /nfs/dbraw/zinc/13/14/59/818131459.db2.gz YRQNRFKOYXDPMM-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1cccc(C[N@H+]2CCc3nc(Cl)ccc3C2)c1O ZINC001231593444 818131462 /nfs/dbraw/zinc/13/14/62/818131462.db2.gz YRQNRFKOYXDPMM-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1cccc(C[N@H+](C)Cc2cnc(Cl)s2)c1O ZINC001231591037 818132111 /nfs/dbraw/zinc/13/21/11/818132111.db2.gz QTPNKPAEXOHQRA-UHFFFAOYSA-N 1 1 282.796 3.443 20 10 CGCDMO Cc1cccc(C[N@@H+](C)Cc2cnc(Cl)s2)c1O ZINC001231591037 818132118 /nfs/dbraw/zinc/13/21/18/818132118.db2.gz QTPNKPAEXOHQRA-UHFFFAOYSA-N 1 1 282.796 3.443 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c(O)cc1O ZINC001231636326 818144002 /nfs/dbraw/zinc/14/40/02/818144002.db2.gz SOHCQAOGQYJIEA-JSGCOSHPSA-N 1 1 291.391 3.261 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)c(O)c1 ZINC001231844513 818187539 /nfs/dbraw/zinc/18/75/39/818187539.db2.gz LRVPXHJHKBJIRF-YOEHRIQHSA-N 1 1 275.392 3.010 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC001231853882 818188951 /nfs/dbraw/zinc/18/89/51/818188951.db2.gz SXSOTUVFXTTYCV-KGLIPLIRSA-N 1 1 276.424 3.382 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@@H+](CC1CC1)C(C)C ZINC001231853307 818189107 /nfs/dbraw/zinc/18/91/07/818189107.db2.gz IFNPEDMHNSKCNI-UHFFFAOYSA-N 1 1 276.424 3.382 20 10 CGCDMO CC(=O)[C@H]1CCCC[N@H+]1Cc1ccc2ccccc2c1O ZINC001231881359 818199041 /nfs/dbraw/zinc/19/90/41/818199041.db2.gz VZGXWXVMQHUYGB-QGZVFWFLSA-N 1 1 283.371 3.489 20 10 CGCDMO CN1CC[N@@H+](Cc2ccc3ccccc3c2O)CC1(C)C ZINC001231881375 818200032 /nfs/dbraw/zinc/20/00/32/818200032.db2.gz WCAHOIUXKPSBDV-UHFFFAOYSA-N 1 1 284.403 3.071 20 10 CGCDMO C[N@@H+](Cc1cnc(-c2cccnc2)o1)Cc1ccccc1O ZINC001232132848 818262553 /nfs/dbraw/zinc/26/25/53/818262553.db2.gz BGYTWZPKNHMIPY-UHFFFAOYSA-N 1 1 295.342 3.074 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(O)cc2O)[C@@H]1C ZINC001232267536 818297666 /nfs/dbraw/zinc/29/76/66/818297666.db2.gz ISZOZXBIWWBROT-NXEZZACHSA-N 1 1 269.772 3.372 20 10 CGCDMO CC[C@@H](C)[N@@H+](C)Cc1cc(Cl)c(OC)cc1O ZINC001232268978 818301105 /nfs/dbraw/zinc/30/11/05/818301105.db2.gz XSVIQDJESCALES-SECBINFHSA-N 1 1 257.761 3.285 20 10 CGCDMO C[N@@H+](Cc1cccc(F)c1)Cc1ccc(F)c(F)c1[O-] ZINC001233073855 818517299 /nfs/dbraw/zinc/51/72/99/818517299.db2.gz FRPKMJGYMCESCT-UHFFFAOYSA-N 1 1 281.277 3.442 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@H](CCO)C2)c1 ZINC001233286504 818567644 /nfs/dbraw/zinc/56/76/44/818567644.db2.gz WSVYLOHKGGUHHL-CQSZACIVSA-N 1 1 291.435 3.284 20 10 CGCDMO Cc1ncc(C[N@H+](C)Cc2cc(C(C)(C)C)ccc2O)cn1 ZINC001233286618 818567827 /nfs/dbraw/zinc/56/78/27/818567827.db2.gz BGHPGYITPJXIGQ-UHFFFAOYSA-N 1 1 299.418 3.420 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCc3ncncc3C2)c1 ZINC001233286507 818567952 /nfs/dbraw/zinc/56/79/52/818567952.db2.gz WUUAMFCJBDXBNI-UHFFFAOYSA-N 1 1 297.402 3.038 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCc3ncncc3C2)c1 ZINC001233286507 818567959 /nfs/dbraw/zinc/56/79/59/818567959.db2.gz WUUAMFCJBDXBNI-UHFFFAOYSA-N 1 1 297.402 3.038 20 10 CGCDMO C[N@@H+](Cc1cncnc1)Cc1cc(C(C)(C)C)ccc1O ZINC001233287398 818570801 /nfs/dbraw/zinc/57/08/01/818570801.db2.gz ONCMZFOWOAYISR-UHFFFAOYSA-N 1 1 285.391 3.112 20 10 CGCDMO CC(C)[C@H]1CCC[N@@H+]1Cc1c(O)ccc(F)c1F ZINC001233335600 818588652 /nfs/dbraw/zinc/58/86/52/818588652.db2.gz CRLZFCBPGBSJCE-GFCCVEGCSA-N 1 1 255.308 3.291 20 10 CGCDMO CC(C)[C@H]1CCC[N@H+]1Cc1c(O)ccc(F)c1F ZINC001233335600 818588656 /nfs/dbraw/zinc/58/86/56/818588656.db2.gz CRLZFCBPGBSJCE-GFCCVEGCSA-N 1 1 255.308 3.291 20 10 CGCDMO Oc1c(C[NH+]2CCC(F)CC2)cccc1C(F)(F)F ZINC001233415622 818614038 /nfs/dbraw/zinc/61/40/38/818614038.db2.gz CQUFVURWQZDSAN-UHFFFAOYSA-N 1 1 277.261 3.345 20 10 CGCDMO CO[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233415920 818614780 /nfs/dbraw/zinc/61/47/80/818614780.db2.gz OFJXADVZHZOHJS-NSHDSACASA-N 1 1 289.297 3.022 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233415920 818614784 /nfs/dbraw/zinc/61/47/84/818614784.db2.gz OFJXADVZHZOHJS-NSHDSACASA-N 1 1 289.297 3.022 20 10 CGCDMO CC[C@H]1COCC[N@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233455182 818622928 /nfs/dbraw/zinc/62/29/28/818622928.db2.gz ZXNQJLFSXXSHAO-LBPRGKRZSA-N 1 1 289.297 3.022 20 10 CGCDMO Oc1cc(O)c(C[N@@H+](Cc2ccccc2)C2CCC2)cc1O ZINC001233487015 818625150 /nfs/dbraw/zinc/62/51/50/818625150.db2.gz LSSVWEQVDZFGJU-UHFFFAOYSA-N 1 1 299.370 3.358 20 10 CGCDMO COC(=O)[C@@H](C)[N@H+](C)Cc1cccc(-c2ccccc2)c1O ZINC001234996438 818972386 /nfs/dbraw/zinc/97/23/86/818972386.db2.gz HNPKXFCEXMDUAQ-CYBMUJFWSA-N 1 1 299.370 3.053 20 10 CGCDMO COC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(-c2ccccc2)c1O ZINC001234996438 818972391 /nfs/dbraw/zinc/97/23/91/818972391.db2.gz HNPKXFCEXMDUAQ-CYBMUJFWSA-N 1 1 299.370 3.053 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CC[C@H](F)C2)c(O)c1 ZINC001235674877 819134909 /nfs/dbraw/zinc/13/49/09/819134909.db2.gz HOQQUIGMIMYESX-ZDUSSCGKSA-N 1 1 251.345 3.234 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)CCC1=O ZINC001235673817 819135538 /nfs/dbraw/zinc/13/55/38/819135538.db2.gz ADUDNIAMLUTOPU-CYBMUJFWSA-N 1 1 289.419 3.491 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCN[C@@H](c3ccccc3)C2)c1O ZINC001235856236 819186144 /nfs/dbraw/zinc/18/61/44/819186144.db2.gz WTKSRNCZODRANX-GOSISDBHSA-N 1 1 296.414 3.156 20 10 CGCDMO CCc1ccc(C[N@H+]2CCN[C@@H](c3ccccc3)C2)c(O)c1 ZINC001235858650 819188443 /nfs/dbraw/zinc/18/84/43/819188443.db2.gz YTUXEHUOOSILEK-GOSISDBHSA-N 1 1 296.414 3.101 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(CN2CCC[NH2+]CCC2)cc1 ZINC001236240746 819399745 /nfs/dbraw/zinc/39/97/45/819399745.db2.gz UJFCKPWRHWDHEB-UHFFFAOYSA-N 1 1 297.446 3.280 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c1 ZINC001236670044 819568155 /nfs/dbraw/zinc/56/81/55/819568155.db2.gz SKZAHHROBGPFBT-CMPLNLGQSA-N 1 1 296.208 3.447 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@H+]2C[C@H]3CC[C@@H]2C3)c1 ZINC001236670044 819568161 /nfs/dbraw/zinc/56/81/61/819568161.db2.gz SKZAHHROBGPFBT-CMPLNLGQSA-N 1 1 296.208 3.447 20 10 CGCDMO CCC[N@@H+](C)Cc1cc(OC)c(Br)cc1O ZINC001236744831 819590401 /nfs/dbraw/zinc/59/04/01/819590401.db2.gz HFYLHKSLRKCHLE-UHFFFAOYSA-N 1 1 288.185 3.005 20 10 CGCDMO Oc1cc(Cl)c(Cl)cc1C[N@H+]1CCCC[C@@H](O)C1 ZINC001236792078 819594479 /nfs/dbraw/zinc/59/44/79/819594479.db2.gz BFSOBANPFGNHKE-SNVBAGLBSA-N 1 1 290.190 3.046 20 10 CGCDMO Oc1cc(Cl)c(Cl)cc1C[N@@H+]1CCCC[C@@H](O)C1 ZINC001236792078 819594482 /nfs/dbraw/zinc/59/44/82/819594482.db2.gz BFSOBANPFGNHKE-SNVBAGLBSA-N 1 1 290.190 3.046 20 10 CGCDMO CCc1ccc(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)c(O)c1 ZINC001236786699 819594910 /nfs/dbraw/zinc/59/49/10/819594910.db2.gz DSKRWAZWTYLAQC-QGZVFWFLSA-N 1 1 297.398 3.390 20 10 CGCDMO CCCO[C@@H]1CC[N@H+](Cc2ccc(OC)c(Cl)c2O)C1 ZINC001236813137 819604905 /nfs/dbraw/zinc/60/49/05/819604905.db2.gz KAKQOSBWUUEDGR-GFCCVEGCSA-N 1 1 299.798 3.055 20 10 CGCDMO CCCO[C@@H]1CC[N@@H+](Cc2ccc(OC)c(Cl)c2O)C1 ZINC001236813137 819604908 /nfs/dbraw/zinc/60/49/08/819604908.db2.gz KAKQOSBWUUEDGR-GFCCVEGCSA-N 1 1 299.798 3.055 20 10 CGCDMO COc1ccc(C[N@H+]2CC[C@H](OC)C[C@H]2C)c(O)c1Cl ZINC001236817773 819605735 /nfs/dbraw/zinc/60/57/35/819605735.db2.gz HISWFECBALBHDA-PWSUYJOCSA-N 1 1 299.798 3.054 20 10 CGCDMO COc1ccc(C[N@@H+]2CC[C@H](OC)C[C@H]2C)c(O)c1Cl ZINC001236817773 819605741 /nfs/dbraw/zinc/60/57/41/819605741.db2.gz HISWFECBALBHDA-PWSUYJOCSA-N 1 1 299.798 3.054 20 10 CGCDMO COC[C@H]1CCC[N@H+]1Cc1cc2ccccc2cc1O ZINC001236827172 819610003 /nfs/dbraw/zinc/61/00/03/819610003.db2.gz QOFGKDLCILMVLW-MRXNPFEDSA-N 1 1 271.360 3.156 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@H+]1CCC[C@@]12CCOC2 ZINC001236832799 819611053 /nfs/dbraw/zinc/61/10/53/819611053.db2.gz LMBPCIAYGUVUCT-SFHVURJKSA-N 1 1 283.371 3.300 20 10 CGCDMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2ccccc2cc1O ZINC001236830161 819611310 /nfs/dbraw/zinc/61/13/10/819611310.db2.gz MSEHSNOIEHSVII-IYBDPMFKSA-N 1 1 281.355 3.241 20 10 CGCDMO CCC[NH+]1CCN(Cc2cc3ccccc3cc2O)CC1 ZINC001236831125 819611895 /nfs/dbraw/zinc/61/18/95/819611895.db2.gz FHDAWZHSXNZWOH-UHFFFAOYSA-N 1 1 284.403 3.073 20 10 CGCDMO CN(C1CC1)[C@H]1CC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236837128 819616569 /nfs/dbraw/zinc/61/65/69/819616569.db2.gz OWKGRMHAOLQQAL-SFHVURJKSA-N 1 1 296.414 3.214 20 10 CGCDMO C[N@H+](C1CC1)[C@H]1CCN(Cc2cc3ccccc3cc2O)C1 ZINC001236837128 819616574 /nfs/dbraw/zinc/61/65/74/819616574.db2.gz OWKGRMHAOLQQAL-SFHVURJKSA-N 1 1 296.414 3.214 20 10 CGCDMO C[N@@H+](C1CC1)[C@H]1CCN(Cc2cc3ccccc3cc2O)C1 ZINC001236837128 819616580 /nfs/dbraw/zinc/61/65/80/819616580.db2.gz OWKGRMHAOLQQAL-SFHVURJKSA-N 1 1 296.414 3.214 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@@](F)(CO)CC2)c(O)c1 ZINC001237046704 819651104 /nfs/dbraw/zinc/65/11/04/819651104.db2.gz VUPLUVOKFRGNIT-KRWDZBQOSA-N 1 1 295.398 3.202 20 10 CGCDMO CCN(CC)[C@H]1CC[N@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237048133 819651607 /nfs/dbraw/zinc/65/16/07/819651607.db2.gz DIQQPIHEKSTONS-KRWDZBQOSA-N 1 1 290.451 3.432 20 10 CGCDMO CCN(CC)[C@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237048133 819651610 /nfs/dbraw/zinc/65/16/10/819651610.db2.gz DIQQPIHEKSTONS-KRWDZBQOSA-N 1 1 290.451 3.432 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCc3cccnc3C2)c(O)c1 ZINC001237055921 819655425 /nfs/dbraw/zinc/65/54/25/819655425.db2.gz SFGNYGISUNQALO-UHFFFAOYSA-N 1 1 282.387 3.469 20 10 CGCDMO COC1CC[NH+](Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001237078615 819662112 /nfs/dbraw/zinc/66/21/12/819662112.db2.gz VJMLWNHTDHBZSV-UHFFFAOYSA-N 1 1 290.190 3.310 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001237487722 819761883 /nfs/dbraw/zinc/76/18/83/819761883.db2.gz MFWKBZSETGEJGC-LLVKDONJSA-N 1 1 255.308 3.178 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+]1CCN(C)[C@@H](c2ccccc2)C1 ZINC001237489094 819761913 /nfs/dbraw/zinc/76/19/13/819761913.db2.gz FGCBWBDDCLHVMR-GOSISDBHSA-N 1 1 296.414 3.189 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC001237492923 819764356 /nfs/dbraw/zinc/76/43/56/819764356.db2.gz UOJXBELENIHRNI-KRWDZBQOSA-N 1 1 297.398 3.144 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C)C2)cc1Br ZINC001237677898 819804126 /nfs/dbraw/zinc/80/41/26/819804126.db2.gz RSNWVKKGAMFTFQ-SECBINFHSA-N 1 1 284.197 3.305 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@](C)(CO)CC2)c1O ZINC001237681805 819806962 /nfs/dbraw/zinc/80/69/62/819806962.db2.gz SVHQGPXSLVAWNC-INIZCTEOSA-N 1 1 297.826 3.339 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c1O ZINC001237680881 819807353 /nfs/dbraw/zinc/80/73/53/819807353.db2.gz VNUGGBAMBVUMHW-TVYUQYBPSA-N 1 1 269.747 3.144 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c1O ZINC001237680881 819807361 /nfs/dbraw/zinc/80/73/61/819807361.db2.gz VNUGGBAMBVUMHW-TVYUQYBPSA-N 1 1 269.747 3.144 20 10 CGCDMO COc1ccc(C)c(C[N@@H+](C)Cc2ccccc2O)c1 ZINC001237711526 819814593 /nfs/dbraw/zinc/81/45/93/819814593.db2.gz RRGUATVMTIFVQG-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO CCOC(=O)c1ccccc1C[N@@H+](C)Cc1ccccc1O ZINC001237891105 819873464 /nfs/dbraw/zinc/87/34/64/819873464.db2.gz IIJNTAYUINBUMU-UHFFFAOYSA-N 1 1 299.370 3.201 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2cc(F)cc(C)c2O)c1 ZINC001238061570 819920047 /nfs/dbraw/zinc/92/00/47/819920047.db2.gz OTTITJZQCAPWAA-UHFFFAOYSA-N 1 1 289.350 3.480 20 10 CGCDMO CC[N@@H+](Cc1ccccn1)Cc1cc(F)cc(C)c1O ZINC001238071513 819924474 /nfs/dbraw/zinc/92/44/74/819924474.db2.gz YSBQWVYLUZCUIB-UHFFFAOYSA-N 1 1 274.339 3.257 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]3[C@@H](C2)C3(F)F)c(Cl)c1 ZINC001474572436 937205856 /nfs/dbraw/zinc/20/58/56/937205856.db2.gz VKOBUVBZBOMGCK-WDEREUQCSA-N 1 1 287.737 3.441 20 10 CGCDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000399505787 928807491 /nfs/dbraw/zinc/80/74/91/928807491.db2.gz LWXQZZWLNNMTAT-YGRLFVJLSA-N 1 1 279.355 3.354 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+](CCO)Cc2cccs2)c1O ZINC001140178912 931956745 /nfs/dbraw/zinc/95/67/45/931956745.db2.gz CBRLKKAIQOSMSV-UHFFFAOYSA-N 1 1 291.416 3.065 20 10 CGCDMO COC[C@H]1CCCC[N@H+]1Cc1c(C)ccc(C)c1O ZINC001140178496 931956921 /nfs/dbraw/zinc/95/69/21/931956921.db2.gz MQSFXDRGSWFDSO-CQSZACIVSA-N 1 1 263.381 3.010 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+]CCC[C@H]1CCCCO1 ZINC001462046399 937614646 /nfs/dbraw/zinc/61/46/46/937614646.db2.gz FHDTVFLJZZSFHV-GFCCVEGCSA-N 1 1 285.334 3.109 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC001462362356 937635812 /nfs/dbraw/zinc/63/58/12/937635812.db2.gz BSRPUCJSLPRNMW-NXEZZACHSA-N 1 1 259.271 3.041 20 10 CGCDMO CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2[O-])[C@@H](C)C1 ZINC001308569552 933134042 /nfs/dbraw/zinc/13/40/42/933134042.db2.gz YHRVJXGRIKOGHA-WFASDCNBSA-N 1 1 296.842 3.208 20 10 CGCDMO CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2[O-])[C@@H](C)C1 ZINC001308569552 933134043 /nfs/dbraw/zinc/13/40/43/933134043.db2.gz YHRVJXGRIKOGHA-WFASDCNBSA-N 1 1 296.842 3.208 20 10 CGCDMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2[O-])[C@@H](C)C1 ZINC001308569552 933134047 /nfs/dbraw/zinc/13/40/47/933134047.db2.gz YHRVJXGRIKOGHA-WFASDCNBSA-N 1 1 296.842 3.208 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@@H+](C)[C@H](CO)C(C)(C)C)c1 ZINC001308622063 933145044 /nfs/dbraw/zinc/14/50/44/933145044.db2.gz YUNUCRLXXIDTFM-MRXNPFEDSA-N 1 1 279.424 3.354 20 10 CGCDMO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2O)C12CCC2 ZINC001308763945 933172256 /nfs/dbraw/zinc/17/22/56/933172256.db2.gz CIPFROYXBWVTJN-CABCVRRESA-N 1 1 297.345 3.060 20 10 CGCDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)c(F)cc2O)C12CCC2 ZINC001308763945 933172258 /nfs/dbraw/zinc/17/22/58/933172258.db2.gz CIPFROYXBWVTJN-CABCVRRESA-N 1 1 297.345 3.060 20 10 CGCDMO C[C@@H](Cc1cccnc1)[NH2+]Cc1ccc(Cl)cc1O ZINC001474744981 933976513 /nfs/dbraw/zinc/97/65/13/933976513.db2.gz NKLKXNGIEJVNKG-NSHDSACASA-N 1 1 276.767 3.161 20 10 CGCDMO COc1ccc(C[N@H+]2CC(C)(C)C2(C)C)c(O)c1OC ZINC001333646684 935556069 /nfs/dbraw/zinc/55/60/69/935556069.db2.gz SHQGEMCKMXAYDE-UHFFFAOYSA-N 1 1 279.380 3.030 20 10 CGCDMO CCC(CC)[N@@H+](CC)Cc1ccc(OC)c(OC)c1O ZINC001333765745 936065082 /nfs/dbraw/zinc/06/50/82/936065082.db2.gz VOSTWQIULXUHEJ-UHFFFAOYSA-N 1 1 281.396 3.420 20 10 CGCDMO Nc1ccc(C[N@@H+](CCC(F)(F)F)CC2CC2)cc1 ZINC001337838771 936293726 /nfs/dbraw/zinc/29/37/26/936293726.db2.gz TUHBAKRLGQNYKY-UHFFFAOYSA-N 1 1 272.314 3.433 20 10 CGCDMO CC[C@@H]1C[N@H+](Cc2c(O)cc(C)cc2Cl)C[C@H](C)O1 ZINC001474382459 937856297 /nfs/dbraw/zinc/85/62/97/937856297.db2.gz KFLHATMBQKDNJN-NWDGAFQWSA-N 1 1 283.799 3.353 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2c(O)cc(C)cc2Cl)C[C@H](C)O1 ZINC001474382459 937856298 /nfs/dbraw/zinc/85/62/98/937856298.db2.gz KFLHATMBQKDNJN-NWDGAFQWSA-N 1 1 283.799 3.353 20 10 CGCDMO C[N@@H+](CC[C@@H]1CCOC1)Cc1ccc(N2CCCC2)cc1 ZINC001474506420 937863902 /nfs/dbraw/zinc/86/39/02/937863902.db2.gz YRSVMXBDRVTEJY-QGZVFWFLSA-N 1 1 288.435 3.145 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H](CF)C1 ZINC001474684206 937874344 /nfs/dbraw/zinc/87/43/44/937874344.db2.gz HPDUQWVDGRRCPR-SECBINFHSA-N 1 1 275.726 3.366 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H](CF)C1 ZINC001474684206 937874345 /nfs/dbraw/zinc/87/43/45/937874345.db2.gz HPDUQWVDGRRCPR-SECBINFHSA-N 1 1 275.726 3.366 20 10 CGCDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1ccc(N(C)CC)cc1 ZINC001559835584 938236879 /nfs/dbraw/zinc/23/68/79/938236879.db2.gz OMQCYOWISZMHSN-KRWDZBQOSA-N 1 1 289.467 3.059 20 10 CGCDMO CC[C@H]1CN(CC)CC[N@@H+]1Cc1ccc(N(C)CC)cc1 ZINC001559835584 938236880 /nfs/dbraw/zinc/23/68/80/938236880.db2.gz OMQCYOWISZMHSN-KRWDZBQOSA-N 1 1 289.467 3.059 20 10 CGCDMO CC[C@H]1CN(CC)CC[N@H+]1Cc1ccc(N(C)CC)cc1 ZINC001559835584 938236881 /nfs/dbraw/zinc/23/68/81/938236881.db2.gz OMQCYOWISZMHSN-KRWDZBQOSA-N 1 1 289.467 3.059 20 10 CGCDMO Cc1ccc(C[N@H+](C)C2CC(OC(C)(C)C)C2)c(O)c1 ZINC001560892606 938282026 /nfs/dbraw/zinc/28/20/26/938282026.db2.gz SSPZQDNHWHXKIF-UHFFFAOYSA-N 1 1 277.408 3.479 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC001560886070 938282098 /nfs/dbraw/zinc/28/20/98/938282098.db2.gz UAFLDOMLWHRFCF-NSHDSACASA-N 1 1 267.319 3.292 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC001560886070 938282099 /nfs/dbraw/zinc/28/20/99/938282099.db2.gz UAFLDOMLWHRFCF-NSHDSACASA-N 1 1 267.319 3.292 20 10 CGCDMO CCCOc1ccc(CNC[C@@]2(C)CCC[NH2+]C2)cc1C ZINC001577586341 962557256 /nfs/dbraw/zinc/55/72/56/962557256.db2.gz QCMNRHZBEJEJLZ-SFHVURJKSA-N 1 1 290.451 3.263 20 10 CGCDMO CCN(CC)c1ccc(CNCCC[NH2+]C(C)C)cc1 ZINC001577699373 962567522 /nfs/dbraw/zinc/56/75/22/962567522.db2.gz ARERXUWMINAQDG-UHFFFAOYSA-N 1 1 277.456 3.011 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)CCCCO)c1ccc(F)cc1O ZINC000296272394 529664450 /nfs/dbraw/zinc/66/44/50/529664450.db2.gz DRPNKGHXGSZCIV-RISCZKNCSA-N 1 1 269.360 3.123 20 10 CGCDMO CCCN(CCC)c1ccc(C[N@H+]2CC[C@@H](CO)C2)cc1 ZINC000092764553 345858334 /nfs/dbraw/zinc/85/83/34/345858334.db2.gz CZHQHWOZIKXGBR-QGZVFWFLSA-N 1 1 290.451 3.127 20 10 CGCDMO C[N@H+](Cc1c(O)ccc2ccccc21)C[C@H]1CCOC1 ZINC000176102488 346249272 /nfs/dbraw/zinc/24/92/72/346249272.db2.gz PVVRSVOVVMRLSP-CYBMUJFWSA-N 1 1 271.360 3.014 20 10 CGCDMO COCCc1cc[nH+]c(N[C@@H](C)c2ccc(C)cc2O)c1 ZINC000287646753 371688964 /nfs/dbraw/zinc/68/89/64/371688964.db2.gz UUAINWGPEDHXTQ-ZDUSSCGKSA-N 1 1 286.375 3.458 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000293781181 372478651 /nfs/dbraw/zinc/47/86/51/372478651.db2.gz BAZGDYKQOLOCPS-UHFFFAOYSA-N 1 1 299.773 3.187 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000293781181 372478657 /nfs/dbraw/zinc/47/86/57/372478657.db2.gz BAZGDYKQOLOCPS-UHFFFAOYSA-N 1 1 299.773 3.187 20 10 CGCDMO CO[C@@](C)(C[NH2+]Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000293950560 372534906 /nfs/dbraw/zinc/53/49/06/372534906.db2.gz PBKPDCKWCCVOBL-AWEZNQCLSA-N 1 1 287.762 3.089 20 10 CGCDMO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1[O-] ZINC000296601037 373191218 /nfs/dbraw/zinc/19/12/18/373191218.db2.gz VPVZVLBBORICGS-NQKGRLOXSA-N 1 1 292.398 3.197 20 10 CGCDMO COC1CCN(c2ccc(C[N@H+]3CC[C@@H](C)C3)cc2)CC1 ZINC000296988022 373255355 /nfs/dbraw/zinc/25/53/55/373255355.db2.gz FELXGAWMQRKHMB-OAHLLOKOSA-N 1 1 288.435 3.144 20 10 CGCDMO C[N@@H+](CCOCc1ccccc1)Cc1ccccc1O ZINC000179585985 373890978 /nfs/dbraw/zinc/89/09/78/373890978.db2.gz BPYQBCQLTOZIAI-UHFFFAOYSA-N 1 1 271.360 3.041 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2cccc(C)c2O)cc1O ZINC000179832162 373925072 /nfs/dbraw/zinc/92/50/72/373925072.db2.gz JRXYMABHMRVBLH-UHFFFAOYSA-N 1 1 287.359 3.047 20 10 CGCDMO Cc1cccc(C[N@H+](C)C[C@@H](C)c2nccs2)c1O ZINC000183254826 374393078 /nfs/dbraw/zinc/39/30/78/374393078.db2.gz VDIPOQRSXQJHRX-GFCCVEGCSA-N 1 1 276.405 3.393 20 10 CGCDMO Cc1cccc(C[N@H+](C)[C@@H](C)c2cccnc2)c1O ZINC000183726408 374447383 /nfs/dbraw/zinc/44/73/83/374447383.db2.gz SJCWVTYIFLIHCK-ZDUSSCGKSA-N 1 1 256.349 3.289 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1ccc(F)cc1O ZINC000185119689 374592393 /nfs/dbraw/zinc/59/23/93/374592393.db2.gz KPLOXPUZYWHABV-NEPJUHHUSA-N 1 1 289.350 3.435 20 10 CGCDMO COCCC1(C[NH2+][C@@H](C)c2ccc(F)cc2O)CCC1 ZINC000185752667 374730070 /nfs/dbraw/zinc/73/00/70/374730070.db2.gz NHZGLERAXMKBEW-LBPRGKRZSA-N 1 1 281.371 3.389 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCCC[C@@H](C)C2)cc1OC ZINC000187517823 375034443 /nfs/dbraw/zinc/03/44/43/375034443.db2.gz VSLOWJUUDNAVEO-GFCCVEGCSA-N 1 1 279.380 3.031 20 10 CGCDMO CCCC[N@@H+](Cc1cc(OC)c(OC)cc1O)C1CC1 ZINC000271114113 378454231 /nfs/dbraw/zinc/45/42/31/378454231.db2.gz VQCVYXUSHHVHNI-UHFFFAOYSA-N 1 1 279.380 3.174 20 10 CGCDMO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCc3c[nH]nc32)c1O ZINC000271775382 378504380 /nfs/dbraw/zinc/50/43/80/378504380.db2.gz CNMJQTIEELYFED-CYBMUJFWSA-N 1 1 291.782 3.244 20 10 CGCDMO CSCC[C@H](C)[N@H+](C)Cc1cccc(F)c1O ZINC000272212809 378586373 /nfs/dbraw/zinc/58/63/73/378586373.db2.gz AQIHBWTYXXKZSF-JTQLQIEISA-N 1 1 257.374 3.105 20 10 CGCDMO CSCC[C@H](C)[N@@H+](C)Cc1cccc(F)c1O ZINC000272212809 378586374 /nfs/dbraw/zinc/58/63/74/378586374.db2.gz AQIHBWTYXXKZSF-JTQLQIEISA-N 1 1 257.374 3.105 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cccc(C)c2)c1 ZINC000273441302 378746107 /nfs/dbraw/zinc/74/61/07/378746107.db2.gz YMWNUYHTIRWPEH-ZDUSSCGKSA-N 1 1 299.370 3.338 20 10 CGCDMO CCC1(C[NH2+][C@H](C)c2ccc(F)cc2O)CCOCC1 ZINC000273607885 378756427 /nfs/dbraw/zinc/75/64/27/378756427.db2.gz URRRIBGOBCLOKJ-GFCCVEGCSA-N 1 1 281.371 3.389 20 10 CGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2cccc(C)c2O)CC1 ZINC000373467006 379283243 /nfs/dbraw/zinc/28/32/43/379283243.db2.gz QICJUGDEWNHTQI-INIZCTEOSA-N 1 1 263.381 3.092 20 10 CGCDMO CCCC[N@@H+](Cc1cnn(C)c1C)Cc1ccccc1O ZINC000282524855 379937884 /nfs/dbraw/zinc/93/78/84/379937884.db2.gz UJEHMTCUVYKZCK-UHFFFAOYSA-N 1 1 287.407 3.236 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(F)cc1O ZINC000285518115 380150630 /nfs/dbraw/zinc/15/06/30/380150630.db2.gz BAYBGSMUGNCNBI-GXTWGEPZSA-N 1 1 267.344 3.141 20 10 CGCDMO CC[C@H]([NH2+]CCCOCC1CC1)c1ccc(F)cc1O ZINC000285694453 380153575 /nfs/dbraw/zinc/15/35/75/380153575.db2.gz OPLSVAVVYQOHMF-HNNXBMFYSA-N 1 1 281.371 3.389 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccc(F)cc1O ZINC000285978886 380155556 /nfs/dbraw/zinc/15/55/56/380155556.db2.gz HOLSUIYPBRFZAS-XHDPSFHLSA-N 1 1 280.387 3.055 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H](C)N(C)C1CC1)c1ccc(F)cc1O ZINC000285978881 380155589 /nfs/dbraw/zinc/15/55/89/380155589.db2.gz HOLSUIYPBRFZAS-ABAIWWIYSA-N 1 1 280.387 3.055 20 10 CGCDMO CC[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc(C)cc1O ZINC000368101815 382364918 /nfs/dbraw/zinc/36/49/18/382364918.db2.gz LQOPYDXADKEGER-GXTWGEPZSA-N 1 1 285.391 3.022 20 10 CGCDMO CCOC[C@H]1CC[N@@H+](Cc2ccc(N(CC)CC)cc2)C1 ZINC000093839388 392241502 /nfs/dbraw/zinc/24/15/02/392241502.db2.gz FULDLUBOVHBZHO-KRWDZBQOSA-N 1 1 290.451 3.391 20 10 CGCDMO CCOc1cccc(C[N@@H+]2CCn3cccc3[C@@H]2C)c1O ZINC000179565871 392702498 /nfs/dbraw/zinc/70/24/98/392702498.db2.gz VIDBPKQWCYVPMB-ZDUSSCGKSA-N 1 1 286.375 3.169 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCn3cccc3[C@@H]2C)c1O ZINC000179565871 392702504 /nfs/dbraw/zinc/70/25/04/392702504.db2.gz VIDBPKQWCYVPMB-ZDUSSCGKSA-N 1 1 286.375 3.169 20 10 CGCDMO Oc1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000179568724 392704065 /nfs/dbraw/zinc/70/40/65/392704065.db2.gz LCRQRRHJVKZULJ-QGZVFWFLSA-N 1 1 287.334 3.105 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000179568724 392704070 /nfs/dbraw/zinc/70/40/70/392704070.db2.gz LCRQRRHJVKZULJ-QGZVFWFLSA-N 1 1 287.334 3.105 20 10 CGCDMO Cn1nccc1C[N@@H+](Cc1ccccc1O)C1CCCCC1 ZINC000156781001 261132313 /nfs/dbraw/zinc/13/23/13/261132313.db2.gz STFMHXBNMGMVSF-UHFFFAOYSA-N 1 1 299.418 3.461 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cscn1 ZINC000162326754 261277865 /nfs/dbraw/zinc/27/78/65/261277865.db2.gz FKQOVXCTKZYNDT-LLVKDONJSA-N 1 1 261.394 3.060 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H](c3nccn3C)C2)cc1C ZINC000369684632 267258916 /nfs/dbraw/zinc/25/89/16/267258916.db2.gz WJRCKYITVLAUEY-HNNXBMFYSA-N 1 1 299.418 3.122 20 10 CGCDMO CCCN1CCC([N@H+](C)Cc2cc(C)c(C)cc2O)CC1 ZINC000092165507 327188803 /nfs/dbraw/zinc/18/88/03/327188803.db2.gz KXIVBZPIJMHTEM-UHFFFAOYSA-N 1 1 290.451 3.315 20 10 CGCDMO CCCN1CCC([N@@H+](C)Cc2cc(C)c(C)cc2O)CC1 ZINC000092165507 327188805 /nfs/dbraw/zinc/18/88/05/327188805.db2.gz KXIVBZPIJMHTEM-UHFFFAOYSA-N 1 1 290.451 3.315 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)cc1C ZINC000368060418 327233759 /nfs/dbraw/zinc/23/37/59/327233759.db2.gz MLORYQIGWYSSIW-KRWDZBQOSA-N 1 1 296.414 3.469 20 10 CGCDMO COc1cccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)c1O ZINC000378142210 329041501 /nfs/dbraw/zinc/04/15/01/329041501.db2.gz SEQSSHXZOMWUAN-INIZCTEOSA-N 1 1 273.376 3.165 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(F)cc1O ZINC000168815246 329059548 /nfs/dbraw/zinc/05/95/48/329059548.db2.gz VMELXQSZPSXNJP-KOLCDFICSA-N 1 1 255.358 3.078 20 10 CGCDMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000360042989 329070493 /nfs/dbraw/zinc/07/04/93/329070493.db2.gz ZSHXEWGZFUFQMG-SFHVURJKSA-N 1 1 283.371 3.274 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C(C)C)C2CC2)c1O ZINC000079398786 518280674 /nfs/dbraw/zinc/28/06/74/518280674.db2.gz OWAFZADNNVUSFD-UHFFFAOYSA-N 1 1 265.328 3.107 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+](C(C)C)C2CC2)c1O ZINC000079398786 518280684 /nfs/dbraw/zinc/28/06/84/518280684.db2.gz OWAFZADNNVUSFD-UHFFFAOYSA-N 1 1 265.328 3.107 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@](C)(O)CC2)cc1 ZINC000279667994 520891665 /nfs/dbraw/zinc/89/16/65/520891665.db2.gz MWJGYKPVCQXAOF-GOSISDBHSA-N 1 1 290.451 3.270 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2occc2C)c1 ZINC000292699586 521144653 /nfs/dbraw/zinc/14/46/53/521144653.db2.gz CEQAVRICMJJGIQ-UHFFFAOYSA-N 1 1 275.348 3.324 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2C)c1 ZINC000273428395 522137348 /nfs/dbraw/zinc/13/73/48/522137348.db2.gz UZIZTIJNINLZRD-CYBMUJFWSA-N 1 1 299.370 3.338 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC(C)(C)[C@H]2C2CC2)cc1OC ZINC000291520006 522775346 /nfs/dbraw/zinc/77/53/46/522775346.db2.gz JAZMSTUHHXOXDV-MRXNPFEDSA-N 1 1 291.391 3.030 20 10 CGCDMO COCC(C)(C)[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000292128416 522811843 /nfs/dbraw/zinc/81/18/43/522811843.db2.gz IGHSKTBIUTZBJH-UHFFFAOYSA-N 1 1 299.798 3.105 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(C)cc1O ZINC000280011065 522867315 /nfs/dbraw/zinc/86/73/15/522867315.db2.gz GRTHFTUIVGWWEJ-RHSMWYFYSA-N 1 1 288.435 3.226 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1COc2ccccc21)c1ccc(F)cc1O ZINC000290179189 525424359 /nfs/dbraw/zinc/42/43/59/525424359.db2.gz FEOWQZZNYKIHCW-RYUDHWBXSA-N 1 1 287.334 3.358 20 10 CGCDMO COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@H](C)C2)c1O ZINC000725777921 572400309 /nfs/dbraw/zinc/40/03/09/572400309.db2.gz JGNZSNYRGYYPND-LBPRGKRZSA-N 1 1 299.370 3.174 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CC2(O)CCCC2)cc1 ZINC000746296452 572864936 /nfs/dbraw/zinc/86/49/36/572864936.db2.gz LYSMSQDHVGVLDL-UHFFFAOYSA-N 1 1 290.451 3.270 20 10 CGCDMO Cc1cc(C[N@H+]2CCCOCC2)c(O)c(C(C)(C)C)c1 ZINC000748072562 572958908 /nfs/dbraw/zinc/95/89/08/572958908.db2.gz ISBDJMDYJRBNFK-UHFFFAOYSA-N 1 1 277.408 3.220 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@@H]1CC1(Cl)Cl ZINC000749299138 572991759 /nfs/dbraw/zinc/99/17/59/572991759.db2.gz SUHSGWCWTYOKHL-JTQLQIEISA-N 1 1 260.164 3.018 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@@H]2CC(C)C)c(O)c1OC ZINC000891617732 618242209 /nfs/dbraw/zinc/24/22/09/618242209.db2.gz IAHTWWSUSFIVET-CQSZACIVSA-N 1 1 293.407 3.420 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c(O)c1OC ZINC000891802424 618306825 /nfs/dbraw/zinc/30/68/25/618306825.db2.gz CAYMYKNFBNYONX-OCCSQVGLSA-N 1 1 291.391 3.174 20 10 CGCDMO CCc1cccc(C[N@@H+]2CCC=C(Br)C2)c1O ZINC000848908658 618619291 /nfs/dbraw/zinc/61/92/91/618619291.db2.gz AAOWEGCLQSEPJI-UHFFFAOYSA-N 1 1 296.208 3.439 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC=C(Br)C2)c1O ZINC000848908658 618619292 /nfs/dbraw/zinc/61/92/92/618619292.db2.gz AAOWEGCLQSEPJI-UHFFFAOYSA-N 1 1 296.208 3.439 20 10 CGCDMO CCS[C@H]1CCCC[N@@H+](Cc2ccccc2O)C1 ZINC000179574397 618796508 /nfs/dbraw/zinc/79/65/08/618796508.db2.gz SJVLKKRRVGPSRA-AWEZNQCLSA-N 1 1 265.422 3.500 20 10 CGCDMO C[C@H]([NH2+]Cc1cc[nH]n1)c1ccc(N2CCCCC2)cc1 ZINC000177954020 618851962 /nfs/dbraw/zinc/85/19/62/618851962.db2.gz WBCGESCLDLGHRM-AWEZNQCLSA-N 1 1 284.407 3.251 20 10 CGCDMO COc1cc(C[N@@H+](C)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000163977415 618892093 /nfs/dbraw/zinc/89/20/93/618892093.db2.gz IGORMAPFTHAOJO-UHFFFAOYSA-N 1 1 263.381 3.293 20 10 CGCDMO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185527845 619061998 /nfs/dbraw/zinc/06/19/98/619061998.db2.gz OPUXDWUKNPKDCE-LRDDRELGSA-N 1 1 283.387 3.369 20 10 CGCDMO CCOCC[N@@H+](CC)Cc1c(O)cc(C)cc1Cl ZINC000840912794 619124638 /nfs/dbraw/zinc/12/46/38/619124638.db2.gz WJLNEVLPXBLORU-UHFFFAOYSA-N 1 1 271.788 3.212 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCO[C@H](C(F)F)C1 ZINC000193440303 619129050 /nfs/dbraw/zinc/12/90/50/619129050.db2.gz NIOFZYADDMQHAM-HNNXBMFYSA-N 1 1 293.313 3.011 20 10 CGCDMO C[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093498552 619201393 /nfs/dbraw/zinc/20/13/93/619201393.db2.gz DKZKOQGHIPRJDK-HOTGVXAUSA-N 1 1 288.435 3.144 20 10 CGCDMO C[C@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccc(F)cc1O ZINC000185224282 619222627 /nfs/dbraw/zinc/22/26/27/619222627.db2.gz PNGDCULDDRWKPI-FZMZJTMJSA-N 1 1 287.334 3.186 20 10 CGCDMO COc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2C)c(O)c1OC ZINC000894314600 619487117 /nfs/dbraw/zinc/48/71/17/619487117.db2.gz AFQOHJSUBCPKJJ-TZMCWYRMSA-N 1 1 293.407 3.420 20 10 CGCDMO C[N@H+](Cc1ccns1)Cc1cc(Cl)ccc1O ZINC000895454146 619831104 /nfs/dbraw/zinc/83/11/04/619831104.db2.gz VIZAAOLZGBAUIG-UHFFFAOYSA-N 1 1 268.769 3.134 20 10 CGCDMO C[N@@H+](Cc1ccns1)Cc1cc(Cl)ccc1O ZINC000895454146 619831106 /nfs/dbraw/zinc/83/11/06/619831106.db2.gz VIZAAOLZGBAUIG-UHFFFAOYSA-N 1 1 268.769 3.134 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000895718172 619874796 /nfs/dbraw/zinc/87/47/96/619874796.db2.gz VFYCOBRQEIQTBM-INIZCTEOSA-N 1 1 289.419 3.421 20 10 CGCDMO Oc1ccc(F)cc1C[N@@H+]1CCS[C@H](C(F)(F)F)C1 ZINC000896455886 620011669 /nfs/dbraw/zinc/01/16/69/620011669.db2.gz JTKPOUIWEAEVSJ-NSHDSACASA-N 1 1 295.301 3.011 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCS[C@H](C(F)(F)F)C1 ZINC000896455886 620011673 /nfs/dbraw/zinc/01/16/73/620011673.db2.gz JTKPOUIWEAEVSJ-NSHDSACASA-N 1 1 295.301 3.011 20 10 CGCDMO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2F)CCO1 ZINC000896644036 620040136 /nfs/dbraw/zinc/04/01/36/620040136.db2.gz VYXWKINQSSTYKN-XHDPSFHLSA-N 1 1 281.371 3.215 20 10 CGCDMO COc1cc(C)ccc1C[NH2+]Cc1c(O)cccc1F ZINC000896639812 620041821 /nfs/dbraw/zinc/04/18/21/620041821.db2.gz XXJSUZPQBFZHQB-UHFFFAOYSA-N 1 1 275.323 3.138 20 10 CGCDMO Cc1cc(O)c(C[NH2+]Cc2c(O)cccc2F)cc1C ZINC000896641840 620042249 /nfs/dbraw/zinc/04/22/49/620042249.db2.gz TWLGKLCKUGAZBE-UHFFFAOYSA-N 1 1 275.323 3.144 20 10 CGCDMO CO[C@@H](C)C[N@@H+](C)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000795752111 620070098 /nfs/dbraw/zinc/07/00/98/620070098.db2.gz SLBJTMBLDIMUBE-ZDUSSCGKSA-N 1 1 279.424 3.465 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)CN(CC)CC)c1ccc(F)cc1O ZINC000796750468 620142921 /nfs/dbraw/zinc/14/29/21/620142921.db2.gz ZEEVZYAOMSSVBG-DOMZBBRYSA-N 1 1 282.403 3.302 20 10 CGCDMO CC(C)[C@H](O)C1(C[NH2+][C@H](C)c2ccc(Cl)cc2O)CC1 ZINC000841747474 620352923 /nfs/dbraw/zinc/35/29/23/620352923.db2.gz BMEXPNLQSDGFMK-ABAIWWIYSA-N 1 1 297.826 3.493 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)C(C)(C)OC)c1ccc(F)cc1O ZINC000903332976 621707581 /nfs/dbraw/zinc/70/75/81/621707581.db2.gz WRHGBNWULQXQSG-ZWNOBZJWSA-N 1 1 269.360 3.386 20 10 CGCDMO Oc1ccc(Cl)cc1CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959938 621837728 /nfs/dbraw/zinc/83/77/28/621837728.db2.gz SGZHRIUDPZZYCX-MRXNPFEDSA-N 1 1 294.826 3.011 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCSC[C@H]2C)cc1 ZINC000769428235 625568923 /nfs/dbraw/zinc/56/89/23/625568923.db2.gz NUQXAWKYLJMWAG-CQSZACIVSA-N 1 1 278.465 3.470 20 10 CGCDMO CCOc1cccc(C[N@H+]2C[C@H](C)CC[C@@H]2C)c1O ZINC000156056158 622677400 /nfs/dbraw/zinc/67/74/00/622677400.db2.gz LJRJFDQIOGWXIY-OLZOCXBDSA-N 1 1 263.381 3.411 20 10 CGCDMO COc1ccc(C)[nH+]c1NCc1ccc(N(C)C)c(F)c1 ZINC000150989369 622712340 /nfs/dbraw/zinc/71/23/40/622712340.db2.gz IOZVHCUNZQYBSB-UHFFFAOYSA-N 1 1 289.354 3.216 20 10 CGCDMO C[C@H]1CCN(Cc2cc(Cl)c(F)cc2O)C[C@H]1F ZINC000816564988 625595536 /nfs/dbraw/zinc/59/55/36/625595536.db2.gz XMLQHTKSZGEGQT-QPUJVOFHSA-N 1 1 275.726 3.365 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000164494244 622836650 /nfs/dbraw/zinc/83/66/50/622836650.db2.gz HRCKGJBTCMMELX-QGZVFWFLSA-N 1 1 298.386 3.057 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc(N(C)C)cc1 ZINC000158179898 623011623 /nfs/dbraw/zinc/01/16/23/623011623.db2.gz LHADGTQBCDQMAF-YJBOKZPZSA-N 1 1 289.467 3.135 20 10 CGCDMO C[C@@H]1CCC[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000173525929 623329401 /nfs/dbraw/zinc/32/94/01/623329401.db2.gz LDJQFXHGMWOZDB-LLVKDONJSA-N 1 1 263.381 3.380 20 10 CGCDMO CC[C@H]1COCC[N@H+]1Cc1cc(C(C)C)c(C)cc1O ZINC000151900873 623582128 /nfs/dbraw/zinc/58/21/28/623582128.db2.gz NTXOPRVEDZZLIA-HNNXBMFYSA-N 1 1 277.408 3.435 20 10 CGCDMO CCC(CC)[N@@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000918178902 624340217 /nfs/dbraw/zinc/34/02/17/624340217.db2.gz LUMAPFDKNGKNDT-UHFFFAOYSA-N 1 1 277.364 3.274 20 10 CGCDMO CC(C)OCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000070975563 625047364 /nfs/dbraw/zinc/04/73/64/625047364.db2.gz WKYPUQFIOZLFKM-UHFFFAOYSA-N 1 1 289.375 3.412 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCCC3(CC3)C2)c1O ZINC000184866557 625279206 /nfs/dbraw/zinc/27/92/06/625279206.db2.gz FCMHCPILMVTJHI-UHFFFAOYSA-N 1 1 261.365 3.085 20 10 CGCDMO CC(C)[N@@H+](Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000121333054 626213674 /nfs/dbraw/zinc/21/36/74/626213674.db2.gz AGILUCSWDBOIRZ-UHFFFAOYSA-N 1 1 250.361 3.265 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2ccccc2O)c(Cl)n1 ZINC000838896477 626281453 /nfs/dbraw/zinc/28/14/53/626281453.db2.gz VSDYGFNXNXOCMC-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO Cc1ccc(C[N@@H+](C)Cc2ccccc2O)c(Cl)n1 ZINC000838896477 626281457 /nfs/dbraw/zinc/28/14/57/626281457.db2.gz VSDYGFNXNXOCMC-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000753597233 626457925 /nfs/dbraw/zinc/45/79/25/626457925.db2.gz XPDFMNWSFNXOLI-LLVKDONJSA-N 1 1 292.404 3.093 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)[C@H](C)C(C)C)c1O ZINC000754725798 626585035 /nfs/dbraw/zinc/58/50/35/626585035.db2.gz FZEMZVQDAAVUFN-GFCCVEGCSA-N 1 1 251.370 3.186 20 10 CGCDMO C[C@H]([NH2+]CCn1cnc2ccccc21)c1ccc(F)cc1O ZINC000756483875 626708972 /nfs/dbraw/zinc/70/89/72/626708972.db2.gz YKRDLGTVVJHQEM-LBPRGKRZSA-N 1 1 299.349 3.232 20 10 CGCDMO C[C@@H]([NH2+]Cc1cccc(O)c1)c1cc(F)cc(F)c1O ZINC000756516900 626711121 /nfs/dbraw/zinc/71/11/21/626711121.db2.gz UFFYTUCAMROJSC-SECBINFHSA-N 1 1 279.286 3.227 20 10 CGCDMO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(C)C2)c2c1c(F)ccc2O ZINC000756550570 626714089 /nfs/dbraw/zinc/71/40/89/626714089.db2.gz IYLPKEIKYHQCAZ-YRGRVCCFSA-N 1 1 292.398 3.011 20 10 CGCDMO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000756651811 626724660 /nfs/dbraw/zinc/72/46/60/626724660.db2.gz YKVXOQJPSIHTDE-JMSVASOKSA-N 1 1 291.391 3.408 20 10 CGCDMO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000756735766 626728767 /nfs/dbraw/zinc/72/87/67/626728767.db2.gz HUVRGAXQRAWJNT-GXFFZTMASA-N 1 1 295.379 3.285 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)C2CCC2)c1 ZINC000756769802 626730889 /nfs/dbraw/zinc/73/08/89/626730889.db2.gz NRUZVUWJIBRUNM-GHMZBOCLSA-N 1 1 277.364 3.018 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)C2(C)CC2)c1 ZINC000756817538 626734441 /nfs/dbraw/zinc/73/44/41/626734441.db2.gz KNIDTAQTPZVZOP-GHMZBOCLSA-N 1 1 277.364 3.018 20 10 CGCDMO CCC(C)(C)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000760016203 626936338 /nfs/dbraw/zinc/93/63/38/626936338.db2.gz IPTNQCYBELAMJK-LLVKDONJSA-N 1 1 279.380 3.266 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC2(CCC2)C[C@H]1C ZINC000763650184 627171998 /nfs/dbraw/zinc/17/19/98/627171998.db2.gz YHWXNGSPIARHBZ-GFCCVEGCSA-N 1 1 261.365 3.165 20 10 CGCDMO C[C@@H]([NH2+]CCOCC1CCC1)c1cc(F)cc(F)c1O ZINC000765808311 627272200 /nfs/dbraw/zinc/27/22/00/627272200.db2.gz JDBPGDRRHWKHBM-SNVBAGLBSA-N 1 1 285.334 3.138 20 10 CGCDMO CC(C)[N@@H+](CCCF)Cc1ccc(N(C)C)cc1 ZINC000766023058 627288101 /nfs/dbraw/zinc/28/81/01/627288101.db2.gz TVMSGVWBERPUSI-UHFFFAOYSA-N 1 1 252.377 3.323 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H](C)O1 ZINC000125081223 634570038 /nfs/dbraw/zinc/57/00/38/634570038.db2.gz PRUNWSXGBKTPAV-TXEJJXNPSA-N 1 1 293.407 3.005 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H](C)O1 ZINC000125081223 634570044 /nfs/dbraw/zinc/57/00/44/634570044.db2.gz PRUNWSXGBKTPAV-TXEJJXNPSA-N 1 1 293.407 3.005 20 10 CGCDMO CC[C@@]1(C)CC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000768463711 627481519 /nfs/dbraw/zinc/48/15/19/627481519.db2.gz LNNNEWXQKWULEU-INIZCTEOSA-N 1 1 279.380 3.031 20 10 CGCDMO C[N@H+](Cc1occc1Br)Cc1ccccc1O ZINC000768873706 627505383 /nfs/dbraw/zinc/50/53/83/627505383.db2.gz UVWMCXOCRIJULW-UHFFFAOYSA-N 1 1 296.164 3.380 20 10 CGCDMO C[N@@H+](Cc1occc1Br)Cc1ccccc1O ZINC000768873706 627505384 /nfs/dbraw/zinc/50/53/84/627505384.db2.gz UVWMCXOCRIJULW-UHFFFAOYSA-N 1 1 296.164 3.380 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCc3ccc(O)cc3CC2)c1 ZINC000769191592 627530547 /nfs/dbraw/zinc/53/05/47/627530547.db2.gz BCKYRIOXIXXWPD-UHFFFAOYSA-N 1 1 283.371 3.007 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](CCCO)CC(C)(C)C)cc1F ZINC000769342315 627544299 /nfs/dbraw/zinc/54/42/99/627544299.db2.gz KKFBTMGQOZNQMO-UHFFFAOYSA-N 1 1 296.430 3.122 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000769502847 627560441 /nfs/dbraw/zinc/56/04/41/627560441.db2.gz BOEDARRCSRVDST-IBGZPJMESA-N 1 1 296.414 3.326 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000769502847 627560443 /nfs/dbraw/zinc/56/04/43/627560443.db2.gz BOEDARRCSRVDST-IBGZPJMESA-N 1 1 296.414 3.326 20 10 CGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCCC2(CC2)C1 ZINC000769793710 627578293 /nfs/dbraw/zinc/57/82/93/627578293.db2.gz PQSSXMMXGHBVKJ-UHFFFAOYSA-N 1 1 268.360 3.316 20 10 CGCDMO CC[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000770304953 627612669 /nfs/dbraw/zinc/61/26/69/627612669.db2.gz NQNCYAHSNQSDBL-LBPRGKRZSA-N 1 1 250.361 3.124 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCCC2(CC2)C1 ZINC000770678043 627636758 /nfs/dbraw/zinc/63/67/58/627636758.db2.gz XRDNKJWSYBBXRZ-UHFFFAOYSA-N 1 1 251.757 3.422 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)Cc2cccc(C)n2)cc1 ZINC000773774249 627914776 /nfs/dbraw/zinc/91/47/76/627914776.db2.gz SIWPOXWRTOMHEQ-UHFFFAOYSA-N 1 1 283.419 3.478 20 10 CGCDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2ncc(C(C)C)o2)c1 ZINC000775375667 628086751 /nfs/dbraw/zinc/08/67/51/628086751.db2.gz OQOBPOSYCGKWRW-NSHDSACASA-N 1 1 290.363 3.363 20 10 CGCDMO CC[C@@H]([NH2+]Cc1nnc(C)s1)c1cc(Cl)ccc1O ZINC000775546626 628105943 /nfs/dbraw/zinc/10/59/43/628105943.db2.gz KJZYFFKWXKYYPA-LLVKDONJSA-N 1 1 297.811 3.446 20 10 CGCDMO CC[N@@H+](CCc1ccccn1)Cc1cccc(C)c1O ZINC000775661516 628121938 /nfs/dbraw/zinc/12/19/38/628121938.db2.gz PKCZMSJJQUUUQU-UHFFFAOYSA-N 1 1 270.376 3.160 20 10 CGCDMO Cc1cccc(C[N@H+]2CCc3c(F)cccc3C2)c1O ZINC000775690332 628126344 /nfs/dbraw/zinc/12/63/44/628126344.db2.gz QTLPIJCWKUKQBZ-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO C[C@@H]([NH2+]Cc1noc2c1CCCC2)c1ccc(N(C)C)cc1 ZINC000775835054 628141116 /nfs/dbraw/zinc/14/11/16/628141116.db2.gz DOIUPJUPIFJDKC-CYBMUJFWSA-N 1 1 299.418 3.470 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@@H]2CC)c1 ZINC000776000494 628156992 /nfs/dbraw/zinc/15/69/92/628156992.db2.gz LKRTVXRCXWCOLI-DOMZBBRYSA-N 1 1 263.381 3.411 20 10 CGCDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C[C@H]1O ZINC000779432256 628413316 /nfs/dbraw/zinc/41/33/16/628413316.db2.gz QDERGUVXKVBSGT-IUODEOHRSA-N 1 1 297.826 3.275 20 10 CGCDMO CC[C@H]1C[C@@H](C[N@@H+](C)Cc2ccccc2O)CCO1 ZINC000780756085 628514448 /nfs/dbraw/zinc/51/44/48/628514448.db2.gz BHEXRVNCFNTFKZ-ZFWWWQNUSA-N 1 1 263.381 3.029 20 10 CGCDMO CC[C@H]1C[C@H](C[N@@H+](C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000780755456 628514554 /nfs/dbraw/zinc/51/45/54/628514554.db2.gz VJNIEXAUAFHHHX-AEFFLSMTSA-N 1 1 290.451 3.390 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)[C@@H](C)[C@@H](C)O1 ZINC000783537713 628722918 /nfs/dbraw/zinc/72/29/18/628722918.db2.gz BZUZGKUUEIKAGT-HZSPNIEDSA-N 1 1 289.419 3.269 20 10 CGCDMO CO[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)CC[C@H]1C ZINC000783969069 628760994 /nfs/dbraw/zinc/76/09/94/628760994.db2.gz RVHUGVLIFCMBBJ-FZKQIMNGSA-N 1 1 289.419 3.128 20 10 CGCDMO CC(C)[N@H+]1CCCC[C@@H]1CN(C)Cc1ccccc1O ZINC000787729486 629026115 /nfs/dbraw/zinc/02/61/15/629026115.db2.gz ICOLPFUNZGJNAU-MRXNPFEDSA-N 1 1 276.424 3.087 20 10 CGCDMO CC(C)N1CCCC[C@@H]1C[N@H+](C)Cc1ccccc1O ZINC000787729486 629026119 /nfs/dbraw/zinc/02/61/19/629026119.db2.gz ICOLPFUNZGJNAU-MRXNPFEDSA-N 1 1 276.424 3.087 20 10 CGCDMO CC(C)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccccc1O ZINC000787729486 629026123 /nfs/dbraw/zinc/02/61/23/629026123.db2.gz ICOLPFUNZGJNAU-MRXNPFEDSA-N 1 1 276.424 3.087 20 10 CGCDMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000788269388 629044178 /nfs/dbraw/zinc/04/41/78/629044178.db2.gz MACHPQVMLMQHJR-SUMWQHHRSA-N 1 1 283.371 3.014 20 10 CGCDMO CC(C)[C@H](O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788662897 629070928 /nfs/dbraw/zinc/07/09/28/629070928.db2.gz DZWGOENGLBYNND-BXKDBHETSA-N 1 1 291.313 3.079 20 10 CGCDMO C[C@@H]1CC[C@H](C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)O1 ZINC000789310338 629122838 /nfs/dbraw/zinc/12/28/38/629122838.db2.gz QQANSLVRCLYVTH-RDTXWAMCSA-N 1 1 288.435 3.285 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1)CCC2 ZINC000789510663 629141481 /nfs/dbraw/zinc/14/14/81/629141481.db2.gz BVZHEBBTPLWQNC-FUHWJXTLSA-N 1 1 287.403 3.024 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000790410162 629209679 /nfs/dbraw/zinc/20/96/79/629209679.db2.gz AKXFMELTNUUAKU-OAHLLOKOSA-N 1 1 277.408 3.256 20 10 CGCDMO CC(C)CCOCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790963001 629243373 /nfs/dbraw/zinc/24/33/73/629243373.db2.gz WMCVPNDAMMIYRI-UHFFFAOYSA-N 1 1 289.778 3.337 20 10 CGCDMO C[C@H]1CCC[C@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790960543 629243793 /nfs/dbraw/zinc/24/37/93/629243793.db2.gz VTCGYQBQFROASU-GZMMTYOYSA-N 1 1 257.736 3.463 20 10 CGCDMO CO[C@@H]1C[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1(C)C ZINC000790972027 629244777 /nfs/dbraw/zinc/24/47/77/629244777.db2.gz BQIKKOJADRSJRZ-VXGBXAGGSA-N 1 1 287.762 3.088 20 10 CGCDMO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790988878 629246749 /nfs/dbraw/zinc/24/67/49/629246749.db2.gz FQRRWMPBVTVIRT-NOZJJQNGSA-N 1 1 287.762 3.089 20 10 CGCDMO C[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792156424 629341512 /nfs/dbraw/zinc/34/15/12/629341512.db2.gz DPKNQGNCANXXOP-VIFPVBQESA-N 1 1 257.736 3.417 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792156424 629341515 /nfs/dbraw/zinc/34/15/15/629341515.db2.gz DPKNQGNCANXXOP-VIFPVBQESA-N 1 1 257.736 3.417 20 10 CGCDMO C[C@H]1CCSCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000792197194 629348620 /nfs/dbraw/zinc/34/86/20/629348620.db2.gz PMLDGUAHGSBBGN-LBPRGKRZSA-N 1 1 282.428 3.219 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H](C)C1(F)F ZINC000862444088 629376895 /nfs/dbraw/zinc/37/68/95/629376895.db2.gz SXLYJJDHLGOUES-PHIMTYICSA-N 1 1 255.308 3.115 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1Cc2ccc(O)cc2C1 ZINC000862451200 629380780 /nfs/dbraw/zinc/38/07/80/629380780.db2.gz KAHJZTGLGLUKFG-UHFFFAOYSA-N 1 1 282.387 3.282 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1Cc2ccc(O)cc2C1 ZINC000862451200 629380788 /nfs/dbraw/zinc/38/07/88/629380788.db2.gz KAHJZTGLGLUKFG-UHFFFAOYSA-N 1 1 282.387 3.282 20 10 CGCDMO CCc1cccc(CN2CCC(CC)([NH+](C)C)CC2)c1O ZINC000864050351 629741376 /nfs/dbraw/zinc/74/13/76/629741376.db2.gz DKIFBEUJJZCMDL-UHFFFAOYSA-N 1 1 290.451 3.261 20 10 CGCDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000796384161 629774395 /nfs/dbraw/zinc/77/43/95/629774395.db2.gz MFTUCEVJPLDEOL-CRAIPNDOSA-N 1 1 290.451 3.268 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1C[C@@H](OC)C1(C)C)c1ccc(F)cc1O ZINC000796794887 629836269 /nfs/dbraw/zinc/83/62/69/629836269.db2.gz XVZGMDNNPACNQH-NWANDNLSSA-N 1 1 281.371 3.386 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H](OC)C(F)(F)F)c1ccc(F)cc1O ZINC000796871210 629852218 /nfs/dbraw/zinc/85/22/18/629852218.db2.gz DUXYVCPNYFTQSR-ZYHUDNBSSA-N 1 1 295.276 3.149 20 10 CGCDMO COCCc1cc[nH+]c(N[C@@H](C)c2cc(F)ccc2O)c1 ZINC000797043794 629876480 /nfs/dbraw/zinc/87/64/80/629876480.db2.gz OIQBJLXBIRRPER-NSHDSACASA-N 1 1 290.338 3.288 20 10 CGCDMO COc1cc(C[N@@H+]2CC(C)=C[C@@H](C)C2)c(O)cc1C ZINC000797417931 629944482 /nfs/dbraw/zinc/94/44/82/629944482.db2.gz UPRACURVUQBTJZ-LLVKDONJSA-N 1 1 261.365 3.107 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(C)cc(C)c2O)CCCO1 ZINC000799161751 630150804 /nfs/dbraw/zinc/15/08/04/630150804.db2.gz CYOGNDQFJTVTFA-HNNXBMFYSA-N 1 1 263.381 3.010 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)CCCO1 ZINC000799161552 630150834 /nfs/dbraw/zinc/15/08/34/630150834.db2.gz ASVWOXKZXJZMTO-KRWDZBQOSA-N 1 1 289.419 3.272 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC2(F)CCC2)c1 ZINC000806174513 630553128 /nfs/dbraw/zinc/55/31/28/630553128.db2.gz XWYNUXZKNQWKNI-LLVKDONJSA-N 1 1 295.354 3.112 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC000808776437 630677498 /nfs/dbraw/zinc/67/74/98/630677498.db2.gz HDWZVBKSBXAFOS-INIZCTEOSA-N 1 1 258.409 3.375 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCOc3ccc(C)cc3C2)c1 ZINC000809704150 630787163 /nfs/dbraw/zinc/78/71/63/630787163.db2.gz WESFLWVNXLUTHZ-UHFFFAOYSA-N 1 1 283.371 3.404 20 10 CGCDMO CCCC[N@@H+](CCCO)Cc1cc(Cl)ccc1O ZINC000809751819 630800637 /nfs/dbraw/zinc/80/06/37/630800637.db2.gz KJDLNRDWPUCFDE-UHFFFAOYSA-N 1 1 271.788 3.030 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](Cc2ccccn2)C2CC2)c1 ZINC000809764624 630802090 /nfs/dbraw/zinc/80/20/90/630802090.db2.gz XWVGOANUZVSLEN-UHFFFAOYSA-N 1 1 298.386 3.351 20 10 CGCDMO CC[C@H](c1ccncc1)[N@@H+](C)Cc1cc(OC)ccc1O ZINC000809765583 630802774 /nfs/dbraw/zinc/80/27/74/630802774.db2.gz OYAKSNKUTVKRRV-MRXNPFEDSA-N 1 1 286.375 3.379 20 10 CGCDMO CCC(CC)[N@@H+](CC)Cc1cc(OC)ccc1O ZINC000809787367 630808974 /nfs/dbraw/zinc/80/89/74/630808974.db2.gz ALOTTWCUJLOYFS-UHFFFAOYSA-N 1 1 251.370 3.411 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCCc3occc3C2)c(O)c1 ZINC000809792049 630811854 /nfs/dbraw/zinc/81/18/54/630811854.db2.gz GBXIVXWGHLAQCB-UHFFFAOYSA-N 1 1 287.359 3.332 20 10 CGCDMO CCC[N@H+](CC)C[C@H](C)NCc1cc(Cl)ccc1O ZINC000810181193 630850898 /nfs/dbraw/zinc/85/08/98/630850898.db2.gz WNWQLPDANFSYPK-LBPRGKRZSA-N 1 1 284.831 3.256 20 10 CGCDMO CCC[N@@H+](CC)C[C@H](C)NCc1cc(Cl)ccc1O ZINC000810181193 630850902 /nfs/dbraw/zinc/85/09/02/630850902.db2.gz WNWQLPDANFSYPK-LBPRGKRZSA-N 1 1 284.831 3.256 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)CN(C)C(C)C)c1ccc(F)cc1O ZINC000810244262 630858067 /nfs/dbraw/zinc/85/80/67/630858067.db2.gz BNCOQLRDHZMPNN-SWLSCSKDSA-N 1 1 282.403 3.301 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC(C)(C)[C@H]2C2CC2)c1 ZINC000811513787 631082171 /nfs/dbraw/zinc/08/21/71/631082171.db2.gz QACRIGWONUQOBI-MRXNPFEDSA-N 1 1 275.392 3.411 20 10 CGCDMO CC(C)[N@@H+](Cc1cc2c(cc1O)CCCC2)[C@@H]1CCOC1 ZINC000812291186 631235901 /nfs/dbraw/zinc/23/59/01/631235901.db2.gz NSDYSCZKHRMSST-QGZVFWFLSA-N 1 1 289.419 3.270 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000814178431 631540635 /nfs/dbraw/zinc/54/06/35/631540635.db2.gz POGWAZOEPWYKGB-AWEZNQCLSA-N 1 1 295.810 3.294 20 10 CGCDMO Cc1cc(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)ccc1N(C)C ZINC000815079642 631712522 /nfs/dbraw/zinc/71/25/22/631712522.db2.gz YEINUFFEFGGCGO-INIZCTEOSA-N 1 1 284.407 3.121 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@H]2c2ncc[nH]2)ccc1N(C)C ZINC000815079642 631712528 /nfs/dbraw/zinc/71/25/28/631712528.db2.gz YEINUFFEFGGCGO-INIZCTEOSA-N 1 1 284.407 3.121 20 10 CGCDMO Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)ccc1N(C)C ZINC000815087978 631713652 /nfs/dbraw/zinc/71/36/52/631713652.db2.gz WVIGLMHCIWBZAR-WFASDCNBSA-N 1 1 264.388 3.241 20 10 CGCDMO Cc1cc(C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)ccc1N(C)C ZINC000815103410 631717380 /nfs/dbraw/zinc/71/73/80/631717380.db2.gz PXGONUWHFJPSFV-NVXWUHKLSA-N 1 1 290.451 3.186 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000815113559 631720220 /nfs/dbraw/zinc/72/02/20/631720220.db2.gz GXIAKOBHXSLFRL-QZTJIDSGSA-N 1 1 288.435 3.286 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)ccc1N(C)C ZINC000815113409 631720466 /nfs/dbraw/zinc/72/04/66/631720466.db2.gz ALHKFBZJAXQUHV-ZWKOTPCHSA-N 1 1 288.435 3.204 20 10 CGCDMO C[N@@H+](Cc1ccc2ccccc2c1[O-])CC1CC[NH+](C)CC1 ZINC000816503993 631996220 /nfs/dbraw/zinc/99/62/20/631996220.db2.gz UZSCFYJACZEZAX-UHFFFAOYSA-N 1 1 298.430 3.319 20 10 CGCDMO C[N@H+](Cc1ccc2ccccc2c1[O-])CC1CC[NH+](C)CC1 ZINC000816503993 631996228 /nfs/dbraw/zinc/99/62/28/631996228.db2.gz UZSCFYJACZEZAX-UHFFFAOYSA-N 1 1 298.430 3.319 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CC1CCCC1 ZINC000816532756 632006464 /nfs/dbraw/zinc/00/64/64/632006464.db2.gz UISKEAWBVWSGLB-UHFFFAOYSA-N 1 1 257.736 3.465 20 10 CGCDMO Cn1c[nH+]c2cc(NCc3c(F)ccc(O)c3F)ccc21 ZINC000816563778 632012499 /nfs/dbraw/zinc/01/24/99/632012499.db2.gz JUSMCIWCADAFFW-UHFFFAOYSA-N 1 1 289.285 3.169 20 10 CGCDMO CC1(C)CC[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2O)O1 ZINC000816574472 632016129 /nfs/dbraw/zinc/01/61/29/632016129.db2.gz IYHUFQPJDDEGIV-SNVBAGLBSA-N 1 1 287.762 3.232 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000816621960 632027022 /nfs/dbraw/zinc/02/70/22/632027022.db2.gz SYKIHAWKTPYNPS-QGZVFWFLSA-N 1 1 298.386 3.379 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCCO[C@H](C(C)C)C2)c(O)c1 ZINC000816674957 632041368 /nfs/dbraw/zinc/04/13/68/632041368.db2.gz PGRGYEWUUHERSD-KRWDZBQOSA-N 1 1 293.407 3.038 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817944567 632242528 /nfs/dbraw/zinc/24/25/28/632242528.db2.gz HAXOFCJCKMEDGQ-CABZTGNLSA-N 1 1 289.206 3.102 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817948086 632244659 /nfs/dbraw/zinc/24/46/59/632244659.db2.gz UXFGMXFPPLLNRO-XUJVJEKNSA-N 1 1 296.842 3.474 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccc(Cl)c1[O-] ZINC000817950751 632247126 /nfs/dbraw/zinc/24/71/26/632247126.db2.gz YOHOHSJNAUWSER-RISCZKNCSA-N 1 1 282.815 3.228 20 10 CGCDMO CCC[NH2+]CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817962021 632257763 /nfs/dbraw/zinc/25/77/63/632257763.db2.gz GOMSFJBMGLBAIR-SECBINFHSA-N 1 1 291.222 3.349 20 10 CGCDMO C[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)c2c1c(F)ccc2[O-] ZINC000817965244 632260406 /nfs/dbraw/zinc/26/04/06/632260406.db2.gz RPWANHKEJQLNRL-YPMHNXCESA-N 1 1 292.398 3.059 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000818237815 632301121 /nfs/dbraw/zinc/30/11/21/632301121.db2.gz BFWITHBAFDOSCS-AYMMMOKOSA-N 1 1 255.720 3.073 20 10 CGCDMO Cc1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)o1 ZINC000866478968 633151720 /nfs/dbraw/zinc/15/17/20/633151720.db2.gz OKBBZJCGUQHDKS-SECBINFHSA-N 1 1 267.275 3.423 20 10 CGCDMO C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1ccc(F)cc1O ZINC000866512653 633168683 /nfs/dbraw/zinc/16/86/83/633168683.db2.gz NNARIOKURKFHSW-PLQHRBFRSA-N 1 1 293.382 3.387 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)c1ccnn1C)c1ccc(F)cc1O ZINC000866615968 633215818 /nfs/dbraw/zinc/21/58/18/633215818.db2.gz YAHFZOMRMNWTSS-MFKMUULPSA-N 1 1 277.343 3.067 20 10 CGCDMO C[C@@]1(F)CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000824472127 633248767 /nfs/dbraw/zinc/24/87/67/633248767.db2.gz MDBIGVLUCYNDLN-CYBMUJFWSA-N 1 1 257.736 3.370 20 10 CGCDMO C[C@@]1(F)CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000824472127 633248770 /nfs/dbraw/zinc/24/87/70/633248770.db2.gz MDBIGVLUCYNDLN-CYBMUJFWSA-N 1 1 257.736 3.370 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@](C)(F)C2)cc1 ZINC000824472517 633248794 /nfs/dbraw/zinc/24/87/94/633248794.db2.gz UTTJVVNBMMWNJC-OAHLLOKOSA-N 1 1 250.361 3.077 20 10 CGCDMO CC[C@](C)(C[NH2+]Cc1c(O)ccc(Cl)c1F)OC ZINC000824744094 633282513 /nfs/dbraw/zinc/28/25/13/633282513.db2.gz ZNCCCMKXFZKGSR-CYBMUJFWSA-N 1 1 275.751 3.089 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1C ZINC000824714412 633278156 /nfs/dbraw/zinc/27/81/56/633278156.db2.gz DMPNJISXVKJBKF-GVDBMIGSSA-N 1 1 289.419 3.134 20 10 CGCDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(Cl)c(C)cc2O)C1 ZINC000824894764 633302762 /nfs/dbraw/zinc/30/27/62/633302762.db2.gz JPYNDALFSSDRMM-ZDUSSCGKSA-N 1 1 296.842 3.128 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCSC[C@@H]2C2CC2)c1 ZINC000824914370 633305119 /nfs/dbraw/zinc/30/51/19/633305119.db2.gz QYRQCJPNDIPEQD-CQSZACIVSA-N 1 1 263.406 3.028 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000824940720 633308740 /nfs/dbraw/zinc/30/87/40/633308740.db2.gz BEODOEQLPFUDNI-WMZOPIPTSA-N 1 1 287.403 3.411 20 10 CGCDMO CCOc1ccc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c(O)c1 ZINC000824941150 633309264 /nfs/dbraw/zinc/30/92/64/633309264.db2.gz JSRPWJGGZBDIKI-WMZOPIPTSA-N 1 1 287.403 3.411 20 10 CGCDMO CC(C)[C@@H]1CC[N@H+]1Cc1ccc(Br)cc1O ZINC000825038040 633320883 /nfs/dbraw/zinc/32/08/83/633320883.db2.gz ODDASDYIIGLEGH-LBPRGKRZSA-N 1 1 284.197 3.385 20 10 CGCDMO Cc1cc(O)c(C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1Cl ZINC000825365864 633349166 /nfs/dbraw/zinc/34/91/66/633349166.db2.gz NMQTVZMIGLSQEI-CYBMUJFWSA-N 1 1 291.782 3.244 20 10 CGCDMO CO[C@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2O)CC[C@H]1C ZINC000825633560 633368713 /nfs/dbraw/zinc/36/87/13/633368713.db2.gz AXUJUFLAMHZIJV-BMIGLBTASA-N 1 1 283.799 3.211 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC000122570171 633440960 /nfs/dbraw/zinc/44/09/60/633440960.db2.gz DDHWSGARCRFNEN-UHFFFAOYSA-N 1 1 284.403 3.393 20 10 CGCDMO C[C@]12COC[C@@H]1C[N@@H+](Cc1ccc3ccccc3c1O)C2 ZINC000827284953 633478215 /nfs/dbraw/zinc/47/82/15/633478215.db2.gz WZDFZJHZOVXGCH-YJBOKZPZSA-N 1 1 283.371 3.014 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1O ZINC000827376883 633486835 /nfs/dbraw/zinc/48/68/35/633486835.db2.gz KIWCTNVVTPXPID-RDJZCZTQSA-N 1 1 289.419 3.482 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](CCC2CC2)CC2CC2)c1 ZINC000827729649 633512954 /nfs/dbraw/zinc/51/29/54/633512954.db2.gz XGCXDINIKBSDDD-UHFFFAOYSA-N 1 1 275.392 3.413 20 10 CGCDMO Cc1cc(C[N@H+](C)[C@@H]2CCOC2)ccc1N1CCCCC1 ZINC000827771979 633515772 /nfs/dbraw/zinc/51/57/72/633515772.db2.gz JHDBSRLBLHPRNI-QGZVFWFLSA-N 1 1 288.435 3.206 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)CC2=CCSC2)cc1 ZINC000827812341 633520816 /nfs/dbraw/zinc/52/08/16/633520816.db2.gz JUNCBXQESZXDJO-SNAWJCMRSA-N 1 1 288.460 3.371 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000827986386 633544677 /nfs/dbraw/zinc/54/46/77/633544677.db2.gz VGAZTQZVSDEUDY-QGZVFWFLSA-N 1 1 288.435 3.206 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCCc3n[nH]cc3C2)cc1Cl ZINC000828009352 633548690 /nfs/dbraw/zinc/54/86/90/633548690.db2.gz JQBMFYYEFZEKBP-UHFFFAOYSA-N 1 1 291.782 3.026 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](OC(C)C)C2)cc1 ZINC000828838136 633660347 /nfs/dbraw/zinc/66/03/47/633660347.db2.gz WXQMSXRMMQIVTB-QGZVFWFLSA-N 1 1 276.424 3.142 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](COC)CC2)cc1 ZINC000832745991 634089880 /nfs/dbraw/zinc/08/98/80/634089880.db2.gz OYCTTZRDBGDUBD-KRWDZBQOSA-N 1 1 290.451 3.391 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](COC)CC2)cc1 ZINC000832745992 634090290 /nfs/dbraw/zinc/09/02/90/634090290.db2.gz OYCTTZRDBGDUBD-QGZVFWFLSA-N 1 1 290.451 3.391 20 10 CGCDMO CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000834897282 634273954 /nfs/dbraw/zinc/27/39/54/634273954.db2.gz ZNRCHWZKFYQEQG-MNOVXSKESA-N 1 1 277.343 3.160 20 10 CGCDMO C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc(F)cc(F)c1[O-] ZINC000834907722 634283661 /nfs/dbraw/zinc/28/36/61/634283661.db2.gz AUHAFHXCIASSKS-LLVKDONJSA-N 1 1 298.377 3.195 20 10 CGCDMO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000834911783 634285015 /nfs/dbraw/zinc/28/50/15/634285015.db2.gz KDKQUEFVGXJNHK-PSOPSSQASA-N 1 1 267.344 3.140 20 10 CGCDMO C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)C1CC[NH2+]CC1 ZINC000873272181 634314735 /nfs/dbraw/zinc/31/47/35/634314735.db2.gz QFMSDPLIWLAOIY-UHIISALHSA-N 1 1 292.398 3.057 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)[C@H](CO)C(C)(C)C)cc1 ZINC000835028657 634326512 /nfs/dbraw/zinc/32/65/12/634326512.db2.gz OJWCXHZNIPXSSX-ZPUOCTKUSA-N 1 1 290.451 3.105 20 10 CGCDMO CS[C@@H]1CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835053912 634338406 /nfs/dbraw/zinc/33/84/06/634338406.db2.gz FWZMIZYOIKEIDV-YIEVGGLXSA-N 1 1 276.449 3.203 20 10 CGCDMO CC(C)[N@@H+](C/C=C\c1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000835056663 634341018 /nfs/dbraw/zinc/34/10/18/634341018.db2.gz WNXAXMVEZKHLJW-XFHJGTJQSA-N 1 1 288.435 3.265 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2cc(Cl)cn2C)c(O)c1 ZINC000876805896 634902001 /nfs/dbraw/zinc/90/20/01/634902001.db2.gz HQVKPRJUZVGPEP-UHFFFAOYSA-N 1 1 278.783 3.325 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)c(O)c1 ZINC000877517347 635067039 /nfs/dbraw/zinc/06/70/39/635067039.db2.gz NGBYVTOKWDTZST-ZBFHGGJFSA-N 1 1 277.408 3.216 20 10 CGCDMO Cc1ccc([C@H](C)[NH2+][C@H](C)c2csnn2)c(O)c1C ZINC000840886545 635075433 /nfs/dbraw/zinc/07/54/33/635075433.db2.gz ZBSXCTWSDPEKSS-WDEREUQCSA-N 1 1 277.393 3.272 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000840910496 635080541 /nfs/dbraw/zinc/08/05/41/635080541.db2.gz HUEPUGHPZZNUSR-MRXNPFEDSA-N 1 1 298.434 3.164 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000840912994 635081407 /nfs/dbraw/zinc/08/14/07/635081407.db2.gz BNQQZKIUNFCRMO-GOSISDBHSA-N 1 1 298.434 3.095 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)CCC1CCOCC1 ZINC000840918668 635083104 /nfs/dbraw/zinc/08/31/04/635083104.db2.gz XWLNBYZCFJASMS-UHFFFAOYSA-N 1 1 290.451 3.310 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2c(O)cc(C)cc2Cl)CCCO1 ZINC000840942508 635088628 /nfs/dbraw/zinc/08/86/28/635088628.db2.gz YIJUCEVAFSZUFU-LBPRGKRZSA-N 1 1 283.799 3.355 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c(Cl)c1 ZINC000840943314 635088785 /nfs/dbraw/zinc/08/87/85/635088785.db2.gz LHDZKXHGKQNEAM-HOCLYGCPSA-N 1 1 295.810 3.497 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@@H](O)C(C)C ZINC000840968276 635095945 /nfs/dbraw/zinc/09/59/45/635095945.db2.gz PYTUAFRSHICSHB-OCCSQVGLSA-N 1 1 289.778 3.070 20 10 CGCDMO CCCC[C@H](C[NH3+])[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841030289 635109204 /nfs/dbraw/zinc/10/92/04/635109204.db2.gz VYYBTYWSHJZJHE-LLVKDONJSA-N 1 1 291.222 3.306 20 10 CGCDMO CCN(CC)c1ccc(CN[C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000841073870 635117624 /nfs/dbraw/zinc/11/76/24/635117624.db2.gz ZNDKFYPGBBEVHE-QGZVFWFLSA-N 1 1 289.467 3.011 20 10 CGCDMO CC(C)(C)[C@H](C[NH3+])NCc1ccc(N2CCCCC2)cc1 ZINC000841088016 635119757 /nfs/dbraw/zinc/11/97/57/635119757.db2.gz UXSIOUQSWQZNEG-KRWDZBQOSA-N 1 1 289.467 3.140 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c(O)c1 ZINC000877633829 635123936 /nfs/dbraw/zinc/12/39/36/635123936.db2.gz RZBXVJUYQNJGAH-AEFFLSMTSA-N 1 1 289.419 3.482 20 10 CGCDMO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877702560 635154293 /nfs/dbraw/zinc/15/42/93/635154293.db2.gz BMPYXLAZLUUWLY-UHFFFAOYSA-N 1 1 299.418 3.476 20 10 CGCDMO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877702560 635154297 /nfs/dbraw/zinc/15/42/97/635154297.db2.gz BMPYXLAZLUUWLY-UHFFFAOYSA-N 1 1 299.418 3.476 20 10 CGCDMO Cc1cccc(C[N@@H+]2Cc3ccccc3NC(=O)[C@@H]2C)c1O ZINC000877706010 635157354 /nfs/dbraw/zinc/15/73/54/635157354.db2.gz DFUNDBCBZUQJPM-ZDUSSCGKSA-N 1 1 296.370 3.043 20 10 CGCDMO Cc1cccc(C[N@H+]2Cc3ccccc3NC(=O)[C@@H]2C)c1O ZINC000877706010 635157358 /nfs/dbraw/zinc/15/73/58/635157358.db2.gz DFUNDBCBZUQJPM-ZDUSSCGKSA-N 1 1 296.370 3.043 20 10 CGCDMO COCCCC[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000841893896 635248609 /nfs/dbraw/zinc/24/86/09/635248609.db2.gz LCVUFTVEQAQXGT-UHFFFAOYSA-N 1 1 275.751 3.043 20 10 CGCDMO COCCCC[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000841893896 635248611 /nfs/dbraw/zinc/24/86/11/635248611.db2.gz LCVUFTVEQAQXGT-UHFFFAOYSA-N 1 1 275.751 3.043 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000842613183 635418787 /nfs/dbraw/zinc/41/87/87/635418787.db2.gz WOLCDBQTFTYMRJ-DOTOQJQBSA-N 1 1 289.419 3.400 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](c3cccnc3)C1)CCC2 ZINC000842623129 635420544 /nfs/dbraw/zinc/42/05/44/635420544.db2.gz UBEKTIFFZCTYKO-KRWDZBQOSA-N 1 1 294.398 3.265 20 10 CGCDMO CC[C@@H]([NH2+][C@H](CO)C[C@@H](C)CC)c1ccc(F)cc1O ZINC000842919850 635512447 /nfs/dbraw/zinc/51/24/47/635512447.db2.gz ZEQQAUOKDZQRAY-CORIIIEPSA-N 1 1 283.387 3.369 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000843045228 635549200 /nfs/dbraw/zinc/54/92/00/635549200.db2.gz QEMNIFQEERHYQP-IUODEOHRSA-N 1 1 294.826 3.010 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000843416626 635663440 /nfs/dbraw/zinc/66/34/40/635663440.db2.gz VRCMRBNSULNMGB-JSGCOSHPSA-N 1 1 261.365 3.165 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](c3cccnc3)C2)cc1F ZINC000843419887 635665618 /nfs/dbraw/zinc/66/56/18/635665618.db2.gz VLTHWYSNHDJAKP-INIZCTEOSA-N 1 1 299.393 3.276 20 10 CGCDMO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000843427337 635671497 /nfs/dbraw/zinc/67/14/97/635671497.db2.gz LQNUNVDOIGNTKY-KOLCDFICSA-N 1 1 289.778 3.071 20 10 CGCDMO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000846055106 636139595 /nfs/dbraw/zinc/13/95/95/636139595.db2.gz CYNVRUNFMKWAIP-DGCLKSJQSA-N 1 1 287.762 3.232 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000846105965 636144284 /nfs/dbraw/zinc/14/42/84/636144284.db2.gz ZQZPXYHMCYLAAS-ZDUSSCGKSA-N 1 1 271.282 3.153 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1F ZINC000846109639 636145318 /nfs/dbraw/zinc/14/53/18/636145318.db2.gz DZTZYTJZYVEROQ-BETUJISGSA-N 1 1 298.352 3.369 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1F ZINC000846116800 636146540 /nfs/dbraw/zinc/14/65/40/636146540.db2.gz JVXFAGVXCSPWCT-CQSZACIVSA-N 1 1 284.325 3.123 20 10 CGCDMO CCCC[N@H+](C)C[C@H](C)N[C@H](C)c1cccc(OC)c1O ZINC000846169617 636152666 /nfs/dbraw/zinc/15/26/66/636152666.db2.gz FVXIPSBUAQXCBX-UONOGXRCSA-N 1 1 294.439 3.172 20 10 CGCDMO CCCC[N@@H+](C)C[C@H](C)N[C@H](C)c1cccc(OC)c1O ZINC000846169617 636152671 /nfs/dbraw/zinc/15/26/71/636152671.db2.gz FVXIPSBUAQXCBX-UONOGXRCSA-N 1 1 294.439 3.172 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C)c1cccc(OC)c1O)C(F)F ZINC000846170462 636152780 /nfs/dbraw/zinc/15/27/80/636152780.db2.gz OCEUAIMTUZJYAV-WCBMZHEXSA-N 1 1 259.296 3.095 20 10 CGCDMO COc1ccccc1CC[NH2+]Cc1cc(F)cc(F)c1O ZINC000882879809 636445257 /nfs/dbraw/zinc/44/52/57/636445257.db2.gz NVHTUGCORHEHPT-UHFFFAOYSA-N 1 1 293.313 3.011 20 10 CGCDMO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C12CCC2 ZINC000883017833 636508313 /nfs/dbraw/zinc/50/83/13/636508313.db2.gz COBMCSYVMWACTG-UONOGXRCSA-N 1 1 297.345 3.108 20 10 CGCDMO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000883029166 636513479 /nfs/dbraw/zinc/51/34/79/636513479.db2.gz IMNPYGIYIHCZOB-BZNIZROVSA-N 1 1 299.361 3.211 20 10 CGCDMO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc(F)cc(F)c1O)CO2 ZINC000883046964 636520121 /nfs/dbraw/zinc/52/01/21/636520121.db2.gz DOJJHVDZCDJROO-CQSZACIVSA-N 1 1 291.297 3.202 20 10 CGCDMO Cc1cccnc1CCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000883134657 636550980 /nfs/dbraw/zinc/55/09/80/636550980.db2.gz FUVDLOSCNCFFQU-UHFFFAOYSA-N 1 1 292.329 3.096 20 10 CGCDMO CC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@@H]1CCCCO1 ZINC000883162106 636561463 /nfs/dbraw/zinc/56/14/63/636561463.db2.gz JSTHIQCWUSDEPW-KBPBESRZSA-N 1 1 285.334 3.108 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1O ZINC000848904559 636683954 /nfs/dbraw/zinc/68/39/54/636683954.db2.gz XOUGEVGRKYTKOI-QGZVFWFLSA-N 1 1 289.419 3.346 20 10 CGCDMO CCc1cccc(C[N@H+]2CCSCC[C@@H]2C)c1O ZINC000848906414 636683967 /nfs/dbraw/zinc/68/39/67/636683967.db2.gz UWXUXFCOKVNIPL-LBPRGKRZSA-N 1 1 265.422 3.282 20 10 CGCDMO CCC[N@@H+](Cc1cccc(OCC)c1O)C(C)C ZINC000132053590 636777971 /nfs/dbraw/zinc/77/79/71/636777971.db2.gz CUYBETACUHDVKQ-UHFFFAOYSA-N 1 1 251.370 3.411 20 10 CGCDMO CC[C@@H]([NH2+]CC1SCCS1)c1ccc(F)cc1O ZINC000850559581 637123475 /nfs/dbraw/zinc/12/34/75/637123475.db2.gz DZUIAQCFYBALDQ-LLVKDONJSA-N 1 1 287.425 3.378 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000886316808 637496354 /nfs/dbraw/zinc/49/63/54/637496354.db2.gz NQPYTAQCCDNDCR-CYBMUJFWSA-N 1 1 297.345 3.109 20 10 CGCDMO C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1c(O)cccc1F ZINC000886531172 637557193 /nfs/dbraw/zinc/55/71/93/637557193.db2.gz XLLPNBOKPVRJIB-ZUZCIYMTSA-N 1 1 295.379 3.151 20 10 CGCDMO CO[C@@H](C[NH2+][C@H](C)c1c(O)cccc1F)C(C)(C)C ZINC000886534276 637560298 /nfs/dbraw/zinc/56/02/98/637560298.db2.gz FELACUKDKPMBGJ-MFKMUULPSA-N 1 1 269.360 3.243 20 10 CGCDMO COC1CCC(C[NH2+][C@@H](C)c2c(O)cccc2F)CC1 ZINC000886536136 637561753 /nfs/dbraw/zinc/56/17/53/637561753.db2.gz BHHDCCCDYHISTJ-HIFPTAJRSA-N 1 1 281.371 3.387 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1c(O)cccc1F ZINC000886552362 637577133 /nfs/dbraw/zinc/57/71/33/637577133.db2.gz ZWTLWKNRYJQPPH-RYUDHWBXSA-N 1 1 279.355 3.284 20 10 CGCDMO C[C@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1cncc(F)c1 ZINC000886588101 637595271 /nfs/dbraw/zinc/59/52/71/637595271.db2.gz LGGYRFRFDXZILN-UWVGGRQHSA-N 1 1 278.302 3.477 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1c(O)cccc1F ZINC000886624813 637614675 /nfs/dbraw/zinc/61/46/75/637614675.db2.gz AONPFYBEEKJCPP-BBBLOLIVSA-N 1 1 255.358 3.076 20 10 CGCDMO COCC1CCC([NH2+][C@@H](C)c2c(O)cccc2F)CC1 ZINC000886627014 637616627 /nfs/dbraw/zinc/61/66/27/637616627.db2.gz QVPXKMXUVZZGGL-HIFPTAJRSA-N 1 1 281.371 3.387 20 10 CGCDMO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2c(O)cccc2F)CCO1 ZINC000886628298 637618307 /nfs/dbraw/zinc/61/83/07/637618307.db2.gz MAVQIRJSRKVSJV-QJPTWQEYSA-N 1 1 267.344 3.140 20 10 CGCDMO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2c(O)cccc2F)CCO1 ZINC000886628296 637618575 /nfs/dbraw/zinc/61/85/75/637618575.db2.gz MAVQIRJSRKVSJV-GRYCIOLGSA-N 1 1 267.344 3.140 20 10 CGCDMO C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1c(O)cccc1F ZINC000886646328 637626779 /nfs/dbraw/zinc/62/67/79/637626779.db2.gz FVXAEIDRMBERFY-PLQHRBFRSA-N 1 1 293.382 3.387 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1c(O)cccc1F ZINC000886649591 637629579 /nfs/dbraw/zinc/62/95/79/637629579.db2.gz DRNMDCNONDBXLL-OZTPJHRESA-N 1 1 279.355 3.140 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)c1c(O)cccc1F)[C@H]1CCCOC1 ZINC000886651971 637630844 /nfs/dbraw/zinc/63/08/44/637630844.db2.gz WEVLTKGXRCZGHF-DYEKYZERSA-N 1 1 281.371 3.387 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1c(O)cccc1F ZINC000886703210 637666618 /nfs/dbraw/zinc/66/66/18/637666618.db2.gz PEGFKOYUGCZNBL-NWDGAFQWSA-N 1 1 279.355 3.141 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](C3CCC3)C1)OCO2 ZINC000853590065 637870144 /nfs/dbraw/zinc/87/01/44/637870144.db2.gz QNZUEYGDZOEONF-CYBMUJFWSA-N 1 1 289.375 3.133 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)cc1 ZINC000854055005 637979560 /nfs/dbraw/zinc/97/95/60/637979560.db2.gz FRUBTLHSBVWKPZ-UHFFFAOYSA-N 1 1 298.434 3.060 20 10 CGCDMO CC[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cc(Cl)ccc1[O-] ZINC000854222311 638026021 /nfs/dbraw/zinc/02/60/21/638026021.db2.gz DLHPUPUBDLGCFB-CYBMUJFWSA-N 1 1 282.815 3.358 20 10 CGCDMO C[C@@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1cc(F)cc(F)c1O ZINC000926914847 638824736 /nfs/dbraw/zinc/82/47/36/638824736.db2.gz DAFZOWBVRWPJIR-QSGSBWRWSA-N 1 1 297.345 3.280 20 10 CGCDMO C[C@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1cc(F)cc(F)c1O ZINC000927160043 638848736 /nfs/dbraw/zinc/84/87/36/638848736.db2.gz KOURAWFRMZMAJF-HZMBPMFUSA-N 1 1 297.345 3.423 20 10 CGCDMO C[C@@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1c(O)cccc1F ZINC000927159359 638848740 /nfs/dbraw/zinc/84/87/40/638848740.db2.gz NNIDWWAARIFQBL-BXUZGUMPSA-N 1 1 279.355 3.284 20 10 CGCDMO Cc1cccc(C[N@H+]2CCOc3ccccc3C2)c1O ZINC000158029709 639996295 /nfs/dbraw/zinc/99/62/95/639996295.db2.gz JYNJZXPKZBWSPF-UHFFFAOYSA-N 1 1 269.344 3.095 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H]2CCOC2)cc1 ZINC000192972021 640422948 /nfs/dbraw/zinc/42/29/48/640422948.db2.gz KKLAUZQFBGKTMC-INIZCTEOSA-N 1 1 276.424 3.001 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H]2CCOC2)cc1 ZINC000192972036 640423341 /nfs/dbraw/zinc/42/33/41/640423341.db2.gz KKLAUZQFBGKTMC-MRXNPFEDSA-N 1 1 276.424 3.001 20 10 CGCDMO c1cc(N2CCCC2)ccc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000193012661 640425831 /nfs/dbraw/zinc/42/58/31/640425831.db2.gz DNSCSTPWNSWFFA-IEBWSBKVSA-N 1 1 299.462 3.003 20 10 CGCDMO c1cc(N2CCCC2)ccc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000193012661 640425836 /nfs/dbraw/zinc/42/58/36/640425836.db2.gz DNSCSTPWNSWFFA-IEBWSBKVSA-N 1 1 299.462 3.003 20 10 CGCDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1cc(OC)ccc1O ZINC000195199263 640569905 /nfs/dbraw/zinc/56/99/05/640569905.db2.gz YLMCQGGDQPPTOT-KRWDZBQOSA-N 1 1 293.407 3.182 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCc3ccccc3[C@@H]2CO)cc1C ZINC000093455377 640772386 /nfs/dbraw/zinc/77/23/86/640772386.db2.gz NGKQGRNGFAROSU-SFHVURJKSA-N 1 1 297.398 3.101 20 10 CGCDMO COc1cccc(C[N@@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)c1O ZINC000093871836 640784080 /nfs/dbraw/zinc/78/40/80/640784080.db2.gz RYPVKTRKERSEQE-PBHICJAKSA-N 1 1 293.407 3.036 20 10 CGCDMO CC(C)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000096810828 640838897 /nfs/dbraw/zinc/83/88/97/640838897.db2.gz XJDBGOANSWLKSC-CYBMUJFWSA-N 1 1 291.391 3.379 20 10 CGCDMO CC[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H](C)O1 ZINC000119962650 641045242 /nfs/dbraw/zinc/04/52/42/641045242.db2.gz BCRLDALSWDJFCI-WDEREUQCSA-N 1 1 269.772 3.045 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@H](C)O1 ZINC000119962650 641045243 /nfs/dbraw/zinc/04/52/43/641045243.db2.gz BCRLDALSWDJFCI-WDEREUQCSA-N 1 1 269.772 3.045 20 10 CGCDMO CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC001254720986 806487051 /nfs/dbraw/zinc/48/70/51/806487051.db2.gz FGJVCEOTZTWQGH-RYUDHWBXSA-N 1 1 298.377 3.053 20 10 CGCDMO CC[NH+](CC)C[C@H](C)NCc1ccc(N2CCCC2)cc1 ZINC000045692697 798891187 /nfs/dbraw/zinc/89/11/87/798891187.db2.gz YJRLVPHJVQRSET-INIZCTEOSA-N 1 1 289.467 3.107 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)CCc2ccccc2)c1 ZINC000156042960 799064985 /nfs/dbraw/zinc/06/49/85/799064985.db2.gz TZDCRBBRSHQQAS-UHFFFAOYSA-N 1 1 255.361 3.375 20 10 CGCDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000161294257 799079968 /nfs/dbraw/zinc/07/99/68/799079968.db2.gz GGCFNNMQLJZFCB-ZJUUUORDSA-N 1 1 284.197 3.385 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC3CCC2CC3)c1O ZINC000381933344 799390303 /nfs/dbraw/zinc/39/03/03/799390303.db2.gz XJERBEYPLOCWMF-UHFFFAOYSA-N 1 1 261.365 3.165 20 10 CGCDMO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)s1 ZINC000391804708 799477879 /nfs/dbraw/zinc/47/78/79/799477879.db2.gz ISEUBGURORXXKM-JGVFFNPUSA-N 1 1 281.356 3.103 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1ccc(F)cc1O ZINC000688885149 799757848 /nfs/dbraw/zinc/75/78/48/799757848.db2.gz SLIVOWDEKXAJLQ-MDZLAQPJSA-N 1 1 267.344 3.140 20 10 CGCDMO CCc1cccc(C[N@H+]2CCCC[C@@H](COC)C2)c1O ZINC000696616231 799840974 /nfs/dbraw/zinc/84/09/74/799840974.db2.gz BEXKXICGCYOVTJ-CQSZACIVSA-N 1 1 277.408 3.203 20 10 CGCDMO C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccc(F)cc1O ZINC000701933964 799899100 /nfs/dbraw/zinc/89/91/00/799899100.db2.gz CMHRSZNKZWHOQA-RKDXNWHRSA-N 1 1 259.271 3.227 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCCC(F)(F)CC2)c1 ZINC000702767931 799913536 /nfs/dbraw/zinc/91/35/36/799913536.db2.gz KPTKWPNABPSMRL-UHFFFAOYSA-N 1 1 271.307 3.022 20 10 CGCDMO CS[C@H]1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708466985 799988869 /nfs/dbraw/zinc/98/88/69/799988869.db2.gz WWFDGIXHPUWXRI-QWRGUYRKSA-N 1 1 273.348 3.044 20 10 CGCDMO CCC1([NH+](C)C)CCN(Cc2cccc(C)c2O)CC1 ZINC000715193650 800132890 /nfs/dbraw/zinc/13/28/90/800132890.db2.gz GYKYXCRIQSRWPB-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO C[C@]1(CO)CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001117760053 802489887 /nfs/dbraw/zinc/48/98/87/802489887.db2.gz KLYNEUATNNWVDH-SFHVURJKSA-N 1 1 285.387 3.140 20 10 CGCDMO Nc1ccc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)cc1 ZINC001120370859 802742292 /nfs/dbraw/zinc/74/22/92/802742292.db2.gz HRXJYYRGHBHRDT-MRXNPFEDSA-N 1 1 282.387 3.170 20 10 CGCDMO O=C(c1ccccc1)[C@H]1CC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137841690 803780088 /nfs/dbraw/zinc/78/00/88/803780088.db2.gz QFSAPVYXKPLRDP-AWEZNQCLSA-N 1 1 299.345 3.236 20 10 CGCDMO O=C(c1ccccc1)[C@H]1CC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137841690 803780094 /nfs/dbraw/zinc/78/00/94/803780094.db2.gz QFSAPVYXKPLRDP-AWEZNQCLSA-N 1 1 299.345 3.236 20 10 CGCDMO O=C(c1ccccc1)[C@H]1CC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137841690 803780099 /nfs/dbraw/zinc/78/00/99/803780099.db2.gz QFSAPVYXKPLRDP-AWEZNQCLSA-N 1 1 299.345 3.236 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001137833179 803781324 /nfs/dbraw/zinc/78/13/24/803781324.db2.gz WFSDGRRXUGIYCT-KOLCDFICSA-N 1 1 271.282 3.008 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001137833179 803781326 /nfs/dbraw/zinc/78/13/26/803781326.db2.gz WFSDGRRXUGIYCT-KOLCDFICSA-N 1 1 271.282 3.008 20 10 CGCDMO Cc1cc(C[N@@H+]2C[C@H](O)C[C@H]2C)c(C)n1-c1ccccc1 ZINC001137853975 803784214 /nfs/dbraw/zinc/78/42/14/803784214.db2.gz CRQJIYMKKQQKTB-FZKQIMNGSA-N 1 1 284.403 3.049 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cccc(F)c2O)CCC[C@@H]1C ZINC001138122584 803861990 /nfs/dbraw/zinc/86/19/90/803861990.db2.gz ONJWDXDVPDNHMH-RYUDHWBXSA-N 1 1 251.345 3.399 20 10 CGCDMO C[C@H]1C[N@H+](Cc2cccc(F)c2O)CCC[C@@H]1C ZINC001138122584 803861999 /nfs/dbraw/zinc/86/19/99/803861999.db2.gz ONJWDXDVPDNHMH-RYUDHWBXSA-N 1 1 251.345 3.399 20 10 CGCDMO Cc1c(CN2CCC[N@H+]3CCC[C@@H]3C2)c2ccccc2n1C ZINC001138256628 803881097 /nfs/dbraw/zinc/88/10/97/803881097.db2.gz CYWPLMYHWQNKLG-MRXNPFEDSA-N 1 1 297.446 3.157 20 10 CGCDMO Cc1c(C[N@H+]2CCCO[C@H](C)C2)c2ccccc2n1C ZINC001138252967 803882540 /nfs/dbraw/zinc/88/25/40/803882540.db2.gz YMYIQDCLYWDKLQ-CYBMUJFWSA-N 1 1 272.392 3.098 20 10 CGCDMO Cc1c(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)c2ccccc2n1C ZINC001138259111 803885946 /nfs/dbraw/zinc/88/59/46/803885946.db2.gz BNGMOBRTKWUHQG-QWHCGFSZSA-N 1 1 272.392 3.096 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138356442 803901003 /nfs/dbraw/zinc/90/10/03/803901003.db2.gz OIXNADUQGTUDCZ-QGZVFWFLSA-N 1 1 288.435 3.070 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCN3C)[C@@H](C)C1 ZINC001138360145 803902025 /nfs/dbraw/zinc/90/20/25/803902025.db2.gz NQHRBFXSNJUPNH-YOEHRIQHSA-N 1 1 288.435 3.068 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)ccc1N(C)C ZINC001139669661 804245619 /nfs/dbraw/zinc/24/56/19/804245619.db2.gz GDDJTRGONZQMEV-FUHWJXTLSA-N 1 1 288.435 3.062 20 10 CGCDMO Cc1cc(C[N@H+](C)CC(=O)c2ccccc2)ccc1N(C)C ZINC001139673870 804247275 /nfs/dbraw/zinc/24/72/75/804247275.db2.gz LVSXGZAWWHEDGR-UHFFFAOYSA-N 1 1 296.414 3.376 20 10 CGCDMO Cc1cc(C[N@@H+](C)CC(=O)c2ccccc2)ccc1N(C)C ZINC001139673870 804247282 /nfs/dbraw/zinc/24/72/82/804247282.db2.gz LVSXGZAWWHEDGR-UHFFFAOYSA-N 1 1 296.414 3.376 20 10 CGCDMO CN(C)c1ccc(CN[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc1 ZINC001246307901 804271480 /nfs/dbraw/zinc/27/14/80/804271480.db2.gz FLYWXVXOYCBNKP-RDJZCZTQSA-N 1 1 289.467 3.009 20 10 CGCDMO CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001140062729 804367105 /nfs/dbraw/zinc/36/71/05/804367105.db2.gz FMUQRJNRWBEKAB-PBHICJAKSA-N 1 1 293.382 3.170 20 10 CGCDMO CO[C@H]1CCC[C@@H]2C[N@@H+](Cc3c(C)ccc(C)c3O)C[C@@H]21 ZINC001140180529 804396378 /nfs/dbraw/zinc/39/63/78/804396378.db2.gz YLRCRSRHFOAHGI-PVAVHDDUSA-N 1 1 289.419 3.256 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCC[C@@H]2c2cnccn2)c1O ZINC001140182110 804397041 /nfs/dbraw/zinc/39/70/41/804397041.db2.gz JPCWPSGLQVJIMG-MRXNPFEDSA-N 1 1 283.375 3.136 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCCC[C@H](F)C1 ZINC001140338072 804417577 /nfs/dbraw/zinc/41/75/77/804417577.db2.gz UBZPJWVIPGXEPT-JTQLQIEISA-N 1 1 257.736 3.370 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)CC[C@]1(C)O ZINC001140337722 804418699 /nfs/dbraw/zinc/41/86/99/804418699.db2.gz BCSPTPFDRCALOL-ABAIWWIYSA-N 1 1 283.799 3.029 20 10 CGCDMO C[C@H]1C[C@H]2C[N@@H+](Cc3c(O)cccc3Cl)CC[C@H]2O1 ZINC001140339543 804420498 /nfs/dbraw/zinc/42/04/98/804420498.db2.gz WUXSLXACJYYBDR-ZIBATOQPSA-N 1 1 281.783 3.045 20 10 CGCDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1c(O)cccc1Cl ZINC001140341451 804420668 /nfs/dbraw/zinc/42/06/68/804420668.db2.gz ONWVWBPJCIMQJF-CQSZACIVSA-N 1 1 283.799 3.435 20 10 CGCDMO Oc1cc(Cl)ccc1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC001140461668 804442117 /nfs/dbraw/zinc/44/21/17/804442117.db2.gz PYHXEVWYOMFRSN-UHFFFAOYSA-N 1 1 273.710 3.277 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](C(=O)c3ccccc3)C2)c1 ZINC001140623772 804477963 /nfs/dbraw/zinc/47/79/63/804477963.db2.gz QRWBAPYLYNAQKP-INIZCTEOSA-N 1 1 295.382 3.405 20 10 CGCDMO Cc1c(O)ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1O ZINC001140747366 804504771 /nfs/dbraw/zinc/50/47/71/804504771.db2.gz AJIFLWQZOOKUPC-OCCSQVGLSA-N 1 1 261.365 3.171 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](CCOC)C(C)C)c(O)c1 ZINC001140854878 804533850 /nfs/dbraw/zinc/53/38/50/804533850.db2.gz FOYXTGAEXGYNPH-UHFFFAOYSA-N 1 1 294.439 3.095 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccccn2)c(O)c1 ZINC001140851901 804534070 /nfs/dbraw/zinc/53/40/70/804534070.db2.gz TVSROXVWRRSSPX-UHFFFAOYSA-N 1 1 299.418 3.265 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)[C@H]2CCCOC2)c(Cl)c1 ZINC001140925550 804551078 /nfs/dbraw/zinc/55/10/78/804551078.db2.gz CWWYVEZTMRHWDE-AWEZNQCLSA-N 1 1 282.815 3.017 20 10 CGCDMO Cc1ccc(C[N@@H+](C)CCOc2ccccc2)c(O)c1 ZINC001140950174 804557634 /nfs/dbraw/zinc/55/76/34/804557634.db2.gz UEGIYUYNYLWHNC-UHFFFAOYSA-N 1 1 271.360 3.211 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2nccs2)c(O)c1 ZINC001140951052 804557899 /nfs/dbraw/zinc/55/78/99/804557899.db2.gz WHPOJMDCVRRYIM-CYBMUJFWSA-N 1 1 274.389 3.494 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001140950756 804558920 /nfs/dbraw/zinc/55/89/20/804558920.db2.gz GXGYMSTZOIBTOJ-LLVKDONJSA-N 1 1 259.271 3.085 20 10 CGCDMO c1c(C[N@H+]2CCC[C@H]3C[C@H]32)cc2c3c1CCCN3CCC2 ZINC001141078024 804585286 /nfs/dbraw/zinc/58/52/86/804585286.db2.gz JHRWOXMOLSJOFI-MAUKXSAKSA-N 1 1 282.431 3.370 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC001141161385 804601485 /nfs/dbraw/zinc/60/14/85/804601485.db2.gz RBGNJCWBQTYHKE-CYBMUJFWSA-N 1 1 287.334 3.226 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CC[C@H]2c2ccccc2)c1 ZINC001141161762 804602089 /nfs/dbraw/zinc/60/20/89/804602089.db2.gz XEAQVXVSCDXKCU-HNNXBMFYSA-N 1 1 255.317 3.045 20 10 CGCDMO [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001142524784 804731227 /nfs/dbraw/zinc/73/12/27/804731227.db2.gz KOMGGMXZNQUYEL-IINYFYTJSA-N 1 1 267.319 3.435 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001142524784 804731234 /nfs/dbraw/zinc/73/12/34/804731234.db2.gz KOMGGMXZNQUYEL-IINYFYTJSA-N 1 1 267.319 3.435 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001142524784 804731240 /nfs/dbraw/zinc/73/12/40/804731240.db2.gz KOMGGMXZNQUYEL-IINYFYTJSA-N 1 1 267.319 3.435 20 10 CGCDMO [O-]c1cc(F)c(F)cc1C[N@H+]1CCC2(CCC2)C1 ZINC001142524745 804731998 /nfs/dbraw/zinc/73/19/98/804731998.db2.gz IXWZCGNVYRNCCY-UHFFFAOYSA-N 1 1 253.292 3.046 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC2(CCC2)C1 ZINC001142524745 804732002 /nfs/dbraw/zinc/73/20/02/804732002.db2.gz IXWZCGNVYRNCCY-UHFFFAOYSA-N 1 1 253.292 3.046 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC2(CCC2)C1 ZINC001142524745 804732008 /nfs/dbraw/zinc/73/20/08/804732008.db2.gz IXWZCGNVYRNCCY-UHFFFAOYSA-N 1 1 253.292 3.046 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2cc(F)c(F)cc2[O-])cn1 ZINC001142530760 804732798 /nfs/dbraw/zinc/73/27/98/804732798.db2.gz LKTCRFPFGOLBFG-UHFFFAOYSA-N 1 1 278.302 3.006 20 10 CGCDMO Cc1ccc(C[N@@H+](C)Cc2cc(F)c(F)cc2O)cn1 ZINC001142530760 804732802 /nfs/dbraw/zinc/73/28/02/804732802.db2.gz LKTCRFPFGOLBFG-UHFFFAOYSA-N 1 1 278.302 3.006 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2cc(F)c(F)cc2O)cn1 ZINC001142530760 804732804 /nfs/dbraw/zinc/73/28/04/804732804.db2.gz LKTCRFPFGOLBFG-UHFFFAOYSA-N 1 1 278.302 3.006 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143103617 804801552 /nfs/dbraw/zinc/80/15/52/804801552.db2.gz HKHKFWILNJXQQL-CQSZACIVSA-N 1 1 277.408 3.301 20 10 CGCDMO C[N@@H+](Cc1cccc(C(C)(C)C)c1O)CC1(C)COC1 ZINC001143110247 804803375 /nfs/dbraw/zinc/80/33/75/804803375.db2.gz AAFNLKKPKJOGST-UHFFFAOYSA-N 1 1 277.408 3.158 20 10 CGCDMO CCN1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)C[C@H]1C ZINC001143116440 804804062 /nfs/dbraw/zinc/80/40/62/804804062.db2.gz BFPWLCKWBHZKNZ-CQSZACIVSA-N 1 1 290.451 3.216 20 10 CGCDMO CC[N@@H+]1CCN(Cc2cccc(C(C)(C)C)c2O)C[C@H]1C ZINC001143116440 804804070 /nfs/dbraw/zinc/80/40/70/804804070.db2.gz BFPWLCKWBHZKNZ-CQSZACIVSA-N 1 1 290.451 3.216 20 10 CGCDMO CC[N@H+]1CCN(Cc2cccc(C(C)(C)C)c2O)C[C@H]1C ZINC001143116440 804804080 /nfs/dbraw/zinc/80/40/80/804804080.db2.gz BFPWLCKWBHZKNZ-CQSZACIVSA-N 1 1 290.451 3.216 20 10 CGCDMO CN1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)CC1(C)C ZINC001143112106 804804438 /nfs/dbraw/zinc/80/44/38/804804438.db2.gz KTWGUXXDJRLBSG-UHFFFAOYSA-N 1 1 290.451 3.216 20 10 CGCDMO C[N@@H+]1CCN(Cc2cccc(C(C)(C)C)c2O)CC1(C)C ZINC001143112106 804804444 /nfs/dbraw/zinc/80/44/44/804804444.db2.gz KTWGUXXDJRLBSG-UHFFFAOYSA-N 1 1 290.451 3.216 20 10 CGCDMO C[N@H+]1CCN(Cc2cccc(C(C)(C)C)c2O)CC1(C)C ZINC001143112106 804804452 /nfs/dbraw/zinc/80/44/52/804804452.db2.gz KTWGUXXDJRLBSG-UHFFFAOYSA-N 1 1 290.451 3.216 20 10 CGCDMO CC[N@@H+](Cc1cc2cccnc2[nH]1)Cc1ccccc1O ZINC001143222098 804824874 /nfs/dbraw/zinc/82/48/74/804824874.db2.gz XUAIUYGLAVUYFT-UHFFFAOYSA-N 1 1 281.359 3.291 20 10 CGCDMO CC[N@@H+](Cc1[nH]nc2ccc(F)cc21)Cc1ccccc1O ZINC001144202458 804954896 /nfs/dbraw/zinc/95/48/96/804954896.db2.gz QNACKOKUQFKHPE-UHFFFAOYSA-N 1 1 299.349 3.430 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144299309 804970587 /nfs/dbraw/zinc/97/05/87/804970587.db2.gz VXQPETPZMSZANP-MRVPVSSYSA-N 1 1 288.160 3.136 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144299309 804970588 /nfs/dbraw/zinc/97/05/88/804970588.db2.gz VXQPETPZMSZANP-MRVPVSSYSA-N 1 1 288.160 3.136 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CCC[C@@H]2c2ccccc2)c(O)c1 ZINC001144508949 804997647 /nfs/dbraw/zinc/99/76/47/804997647.db2.gz FDBYFZSNYKMGSK-OAHLLOKOSA-N 1 1 285.343 3.141 20 10 CGCDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(N)cc2)cc1 ZINC001262486979 807867382 /nfs/dbraw/zinc/86/73/82/807867382.db2.gz GOFXSMFXJHPPQW-CYBMUJFWSA-N 1 1 270.376 3.470 20 10 CGCDMO CCOC(=O)C[N@H+](CCCC(C)C)Cc1ccccc1O ZINC001171390469 808042107 /nfs/dbraw/zinc/04/21/07/808042107.db2.gz NICCTORKTSQJTO-UHFFFAOYSA-N 1 1 293.407 3.194 20 10 CGCDMO CCOC(=O)C[N@@H+](CCCC(C)C)Cc1ccccc1O ZINC001171390469 808042113 /nfs/dbraw/zinc/04/21/13/808042113.db2.gz NICCTORKTSQJTO-UHFFFAOYSA-N 1 1 293.407 3.194 20 10 CGCDMO Oc1cccc2c1C[N@H+]([C@H]1CSc3ccccc3C1)CC2 ZINC001172204372 808197795 /nfs/dbraw/zinc/19/77/95/808197795.db2.gz ARMQFPNUMIECBF-OAHLLOKOSA-N 1 1 297.423 3.467 20 10 CGCDMO CC[C@H](C)OCC[C@@H](C)[N@H+]1CCc2cccc(O)c2C1 ZINC001172345057 808244233 /nfs/dbraw/zinc/24/42/33/808244233.db2.gz DNXZTSIRPUZEQW-KGLIPLIRSA-N 1 1 277.408 3.344 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCCN(C)C3)C2)c(O)c1 ZINC001276168676 808990893 /nfs/dbraw/zinc/99/08/93/808990893.db2.gz HVKPNQGZTJHGMP-GOSISDBHSA-N 1 1 288.435 3.008 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCCN(C)C3)C2)c(O)c1 ZINC001276168676 808990897 /nfs/dbraw/zinc/99/08/97/808990897.db2.gz HVKPNQGZTJHGMP-GOSISDBHSA-N 1 1 288.435 3.008 20 10 CGCDMO Cc1cc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)ccc1N(C)C ZINC001175436034 809404351 /nfs/dbraw/zinc/40/43/51/809404351.db2.gz CPCCCNUGKAZGSW-CALCHBBNSA-N 1 1 270.420 3.459 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@]23CCOC3)cc1 ZINC001176978303 809772218 /nfs/dbraw/zinc/77/22/18/809772218.db2.gz QMZFUTLOBGGRKQ-GOSISDBHSA-N 1 1 288.435 3.288 20 10 CGCDMO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1ccc(Cl)cc1O ZINC001181808869 810073800 /nfs/dbraw/zinc/07/38/00/810073800.db2.gz RBOLZOOWJKWWLF-AAEUAGOBSA-N 1 1 253.773 3.427 20 10 CGCDMO Oc1cc2c(cc1O)C[N@@H+](CC1CCCCC1)CCC2 ZINC001201401730 811830754 /nfs/dbraw/zinc/83/07/54/811830754.db2.gz RYJXYTAHUDGJCQ-UHFFFAOYSA-N 1 1 275.392 3.426 20 10 CGCDMO CCCC[N@H+]1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001201715219 811944445 /nfs/dbraw/zinc/94/44/45/811944445.db2.gz NKHWYDCCSNFSDK-UHFFFAOYSA-N 1 1 272.392 3.345 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccccc2O)CCC1(F)F ZINC001203550041 812389893 /nfs/dbraw/zinc/38/98/93/812389893.db2.gz FZTPGZIVPLIVHG-LLVKDONJSA-N 1 1 255.308 3.259 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@@](C)(F)CC2)c1O ZINC001203584872 812400212 /nfs/dbraw/zinc/40/02/12/812400212.db2.gz JDHVEMQDKNVVBE-OAHLLOKOSA-N 1 1 267.344 3.115 20 10 CGCDMO COc1ccc(C[N@@H+](Cc2ccco2)C2CC2)c(O)c1 ZINC001203628917 812410529 /nfs/dbraw/zinc/41/05/29/812410529.db2.gz KTPBMSONXXJBRA-UHFFFAOYSA-N 1 1 273.332 3.158 20 10 CGCDMO C[C@@]1(CO)CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC001203651831 812415011 /nfs/dbraw/zinc/41/50/11/812415011.db2.gz XOUGZUUUISRRJP-OAHLLOKOSA-N 1 1 283.799 3.030 20 10 CGCDMO CN(C)c1ccc(C[NH2+]Cc2noc3ccccc23)cc1F ZINC001203651514 812415244 /nfs/dbraw/zinc/41/52/44/812415244.db2.gz JABHTVQYGDPFBZ-UHFFFAOYSA-N 1 1 299.349 3.323 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC001203657688 812418812 /nfs/dbraw/zinc/41/88/12/812418812.db2.gz MGLKRHTZMNKTAH-CYBMUJFWSA-N 1 1 288.778 3.430 20 10 CGCDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(O)c(O)c2)c1 ZINC001203880538 812477817 /nfs/dbraw/zinc/47/78/17/812477817.db2.gz VFBBGBDUJAYMQD-INIZCTEOSA-N 1 1 299.370 3.444 20 10 CGCDMO C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203875618 812478399 /nfs/dbraw/zinc/47/83/99/812478399.db2.gz RZNNKOMKVOSGSL-LBPRGKRZSA-N 1 1 269.344 3.217 20 10 CGCDMO Oc1ccc(C[N@@H+]2CCSc3ccccc3C2)cc1O ZINC001203879944 812478884 /nfs/dbraw/zinc/47/88/84/812478884.db2.gz HLUXEUBLHKXGOM-UHFFFAOYSA-N 1 1 287.384 3.206 20 10 CGCDMO Oc1ccc(C[N@H+]2CCSc3ccccc3C2)cc1O ZINC001203879944 812478886 /nfs/dbraw/zinc/47/88/86/812478886.db2.gz HLUXEUBLHKXGOM-UHFFFAOYSA-N 1 1 287.384 3.206 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@](C)(F)CC2)cc1 ZINC001203930504 812495072 /nfs/dbraw/zinc/49/50/72/812495072.db2.gz WIEQSXPDZYLTGV-MRXNPFEDSA-N 1 1 264.388 3.467 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@]23CCOC3)cc1 ZINC001203942429 812498077 /nfs/dbraw/zinc/49/80/77/812498077.db2.gz QEZYFWKGGDTYLC-GOSISDBHSA-N 1 1 288.435 3.288 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](CO)C2)c2ccccc21 ZINC001204232893 812579725 /nfs/dbraw/zinc/57/97/25/812579725.db2.gz LFRJDPVWNJTXIM-HNNXBMFYSA-N 1 1 298.430 3.110 20 10 CGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CCC[C@]12CCOC2 ZINC001204321185 812612912 /nfs/dbraw/zinc/61/29/12/812612912.db2.gz HOYDXDBXUBWFBR-GOSISDBHSA-N 1 1 286.419 3.042 20 10 CGCDMO O=C1CCC[C@H]2C[N@@H+](Cc3ccc(N4CCCC4)cc3)C[C@@H]12 ZINC001204329335 812614366 /nfs/dbraw/zinc/61/43/66/812614366.db2.gz MQRTVHZDHJLQGV-FUHWJXTLSA-N 1 1 298.430 3.088 20 10 CGCDMO COc1cc(C[N@H+]2CCC23CCCCC3)cc(O)c1O ZINC001204341348 812615900 /nfs/dbraw/zinc/61/59/00/812615900.db2.gz AIFWEUAXIHIFRO-UHFFFAOYSA-N 1 1 277.364 3.015 20 10 CGCDMO Cc1cc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)oc1C ZINC001204539283 812671478 /nfs/dbraw/zinc/67/14/78/812671478.db2.gz NKGDJDVJWNYNQQ-UHFFFAOYSA-N 1 1 287.359 3.256 20 10 CGCDMO Cc1ccc2c(c1)C[N@H+](Cc1ccc(N)cc1)CC2 ZINC001205164846 812896123 /nfs/dbraw/zinc/89/61/23/812896123.db2.gz SURBAIJUPAXYMV-UHFFFAOYSA-N 1 1 252.361 3.136 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2CN)c(O)c1 ZINC001205856291 813109599 /nfs/dbraw/zinc/10/95/99/813109599.db2.gz UMTYLAPYBZGEFI-BBRMVZONSA-N 1 1 276.424 3.075 20 10 CGCDMO CC(C)c1ccc(CN2C[C@@H](C)CC[C@H]2C[NH3+])c(O)c1 ZINC001205856291 813109601 /nfs/dbraw/zinc/10/96/01/813109601.db2.gz UMTYLAPYBZGEFI-BBRMVZONSA-N 1 1 276.424 3.075 20 10 CGCDMO CC[N@@H+](Cc1sc(C)nc1C)Cc1ccccc1O ZINC001206185125 813232189 /nfs/dbraw/zinc/23/21/89/813232189.db2.gz DHGFIARUISFJEJ-UHFFFAOYSA-N 1 1 276.405 3.488 20 10 CGCDMO Cc1cc([O-])c(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)cc1Cl ZINC001206318909 813287529 /nfs/dbraw/zinc/28/75/29/813287529.db2.gz VCLCEHCXQRXPMC-INIZCTEOSA-N 1 1 296.842 3.305 20 10 CGCDMO Cc1cc([O-])c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1Cl ZINC001206318909 813287536 /nfs/dbraw/zinc/28/75/36/813287536.db2.gz VCLCEHCXQRXPMC-INIZCTEOSA-N 1 1 296.842 3.305 20 10 CGCDMO C[C@]1(C[NH3+])CCC[N@H+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001206327457 813289563 /nfs/dbraw/zinc/28/95/63/813289563.db2.gz WQXGYPAFSAKBKU-IBGZPJMESA-N 1 1 298.430 3.496 20 10 CGCDMO C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001206327457 813289568 /nfs/dbraw/zinc/28/95/68/813289568.db2.gz WQXGYPAFSAKBKU-IBGZPJMESA-N 1 1 298.430 3.496 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cccc(F)c1O)[C@@H]1CC1(C)C ZINC001206335438 813294863 /nfs/dbraw/zinc/29/48/63/813294863.db2.gz HOIHNZSANOXYBT-WCQYABFASA-N 1 1 251.345 3.446 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)CC1CCSCC1 ZINC001207755216 813645700 /nfs/dbraw/zinc/64/57/00/813645700.db2.gz ATYMTLZDQGTGIB-UHFFFAOYSA-N 1 1 265.422 3.357 20 10 CGCDMO CC[N@@H+](CCc1ccc2c(c1)CCO2)Cc1ccccc1O ZINC001209149270 813948031 /nfs/dbraw/zinc/94/80/31/813948031.db2.gz VJNCJKVEWQXILD-UHFFFAOYSA-N 1 1 297.398 3.392 20 10 CGCDMO CC[N@H+](CCCN1CCCCC1)Cc1ccccc1O ZINC001209452212 814048332 /nfs/dbraw/zinc/04/83/32/814048332.db2.gz IECDZGDZAHHMLL-UHFFFAOYSA-N 1 1 276.424 3.090 20 10 CGCDMO CC[N@@H+](CCCN1CCCCC1)Cc1ccccc1O ZINC001209452212 814048341 /nfs/dbraw/zinc/04/83/41/814048341.db2.gz IECDZGDZAHHMLL-UHFFFAOYSA-N 1 1 276.424 3.090 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001209516875 814071959 /nfs/dbraw/zinc/07/19/59/814071959.db2.gz RJQOSXVALIGLDR-SFHVURJKSA-N 1 1 284.403 3.315 20 10 CGCDMO CN(C)c1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001227940870 817760517 /nfs/dbraw/zinc/76/05/17/817760517.db2.gz PBYNWJLVRXSZHJ-LJQANCHMSA-N 1 1 296.414 3.406 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001231587006 818130243 /nfs/dbraw/zinc/13/02/43/818130243.db2.gz PESHWAKZWQHYRS-NOLJZWGESA-N 1 1 271.335 3.335 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@](C)(F)C1 ZINC001231849289 818188848 /nfs/dbraw/zinc/18/88/48/818188848.db2.gz QYXIXNSIJRBFOM-INIZCTEOSA-N 1 1 280.387 3.085 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@](C)(F)C1 ZINC001231849289 818188853 /nfs/dbraw/zinc/18/88/53/818188853.db2.gz QYXIXNSIJRBFOM-INIZCTEOSA-N 1 1 280.387 3.085 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCOC[C@@H]2C(C)C)cc1Cl ZINC001231870087 818194170 /nfs/dbraw/zinc/19/41/70/818194170.db2.gz IVEUZROHDABVIQ-CQSZACIVSA-N 1 1 283.799 3.211 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCOC[C@@H]2C(C)C)cc1Cl ZINC001231870087 818194174 /nfs/dbraw/zinc/19/41/74/818194174.db2.gz IVEUZROHDABVIQ-CQSZACIVSA-N 1 1 283.799 3.211 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)Cc1ncccc1Cl ZINC001231959963 818217735 /nfs/dbraw/zinc/21/77/35/818217735.db2.gz DMZDBIOGBGGTHP-UHFFFAOYSA-N 1 1 276.767 3.463 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1ncccc1Cl ZINC001231959963 818217740 /nfs/dbraw/zinc/21/77/40/818217740.db2.gz DMZDBIOGBGGTHP-UHFFFAOYSA-N 1 1 276.767 3.463 20 10 CGCDMO CC[C@@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232195860 818274901 /nfs/dbraw/zinc/27/49/01/818274901.db2.gz ZYGJKDOGNJIIIC-CYBMUJFWSA-N 1 1 296.842 3.407 20 10 CGCDMO CCOc1ncc(C[N@@H+](C)Cc2ccccc2O)cc1C ZINC001232306818 818311312 /nfs/dbraw/zinc/31/13/12/818311312.db2.gz IFADUKOEPOQCMU-UHFFFAOYSA-N 1 1 286.375 3.126 20 10 CGCDMO Cc1cccc2c1CC[N@H+](Cc1ccc(N(C)C)cc1O)C2 ZINC001232834795 818452047 /nfs/dbraw/zinc/45/20/47/818452047.db2.gz MXCPTRVZHZFALA-UHFFFAOYSA-N 1 1 296.414 3.325 20 10 CGCDMO C[C@@H]1CCCCC[N@H+]1Cc1ccc(N(C)C)cc1O ZINC001232839151 818453522 /nfs/dbraw/zinc/45/35/22/818453522.db2.gz MGZPNZLJCXFAAM-CYBMUJFWSA-N 1 1 262.397 3.223 20 10 CGCDMO CCC[N@@H+](C)Cc1c2ccccc2n(C)c1C(=O)OCC ZINC001233270720 818560474 /nfs/dbraw/zinc/56/04/74/818560474.db2.gz XSZRFSLSWDZBMW-UHFFFAOYSA-N 1 1 288.391 3.197 20 10 CGCDMO C[C@H]1CC[C@@H](CO)[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233284057 818566033 /nfs/dbraw/zinc/56/60/33/818566033.db2.gz GOOGVTPHRNQDRX-WFASDCNBSA-N 1 1 277.408 3.035 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@@](C)(O)CC2)c1 ZINC001233284055 818566303 /nfs/dbraw/zinc/56/63/03/818566303.db2.gz GMGRLIAKCKLBLK-GOSISDBHSA-N 1 1 291.435 3.427 20 10 CGCDMO CC[C@@H]1COCC[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233287099 818567171 /nfs/dbraw/zinc/56/71/71/818567171.db2.gz WKXVHNBSONAMBX-OAHLLOKOSA-N 1 1 277.408 3.301 20 10 CGCDMO Cc1[nH+]cc2n1CCN(Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001233284429 818567416 /nfs/dbraw/zinc/56/74/16/818567416.db2.gz UNAQTTDXZJBDBF-UHFFFAOYSA-N 1 1 299.418 3.210 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCCC3(COC3)C2)c1 ZINC001233284537 818567782 /nfs/dbraw/zinc/56/77/82/818567782.db2.gz YVFUJVNQIZOQKE-UHFFFAOYSA-N 1 1 289.419 3.302 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCOC(C)(C)C2)c1 ZINC001233284374 818567925 /nfs/dbraw/zinc/56/79/25/818567925.db2.gz RZZUSXUXPBHJBT-UHFFFAOYSA-N 1 1 277.408 3.301 20 10 CGCDMO Oc1ccc(F)c(F)c1C[NH+]1CC(c2ccccc2)C1 ZINC001233335102 818585302 /nfs/dbraw/zinc/58/53/02/818585302.db2.gz HHEKYGVPBDFQMQ-UHFFFAOYSA-N 1 1 275.298 3.270 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC001233334699 818585537 /nfs/dbraw/zinc/58/55/37/818585537.db2.gz QJFPFLQNJXICBX-LBPRGKRZSA-N 1 1 290.313 3.055 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC001233334699 818585544 /nfs/dbraw/zinc/58/55/44/818585544.db2.gz QJFPFLQNJXICBX-LBPRGKRZSA-N 1 1 290.313 3.055 20 10 CGCDMO COCC[C@@H]1CCCC[N@@H+]1Cc1c(O)ccc(F)c1F ZINC001233334763 818586441 /nfs/dbraw/zinc/58/64/41/818586441.db2.gz SHUREIPALSDHPE-NSHDSACASA-N 1 1 285.334 3.061 20 10 CGCDMO COCC[C@@H]1CCCC[N@H+]1Cc1c(O)ccc(F)c1F ZINC001233334763 818586449 /nfs/dbraw/zinc/58/64/49/818586449.db2.gz SHUREIPALSDHPE-NSHDSACASA-N 1 1 285.334 3.061 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CCC[C@H]2c2ccccc2)cc1O ZINC001233485186 818624773 /nfs/dbraw/zinc/62/47/73/818624773.db2.gz MDXMJGHTJCHGEZ-AWEZNQCLSA-N 1 1 285.343 3.141 20 10 CGCDMO CC[C@@H](c1ccccc1)[N@@H+](C)Cc1cc(O)c(O)cc1O ZINC001233486459 818625097 /nfs/dbraw/zinc/62/50/97/818625097.db2.gz NRFKGJZJKKWLRF-AWEZNQCLSA-N 1 1 287.359 3.387 20 10 CGCDMO CCC[N@@H+](C)Cc1cccc(OC(F)(F)F)c1O ZINC001233728650 818692007 /nfs/dbraw/zinc/69/20/07/818692007.db2.gz YBXBFYYUMIYEFB-UHFFFAOYSA-N 1 1 263.259 3.133 20 10 CGCDMO Cc1cnc(F)c(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC001235344772 819073298 /nfs/dbraw/zinc/07/32/98/819073298.db2.gz DHMXIHHILGMESB-UHFFFAOYSA-N 1 1 287.382 3.227 20 10 CGCDMO Cc1cnc(F)c(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC001235344772 819073305 /nfs/dbraw/zinc/07/33/05/819073305.db2.gz DHMXIHHILGMESB-UHFFFAOYSA-N 1 1 287.382 3.227 20 10 CGCDMO CCc1ccc(C[N@@H+](CCCCCO)C(C)C)c(O)c1 ZINC001236787900 819594558 /nfs/dbraw/zinc/59/45/58/819594558.db2.gz MBGGHPZSGMANBC-UHFFFAOYSA-N 1 1 279.424 3.328 20 10 CGCDMO CCc1ccc(C[N@H+]2CCc3ncc(C)cc3C2)c(O)c1 ZINC001236786966 819595200 /nfs/dbraw/zinc/59/52/00/819595200.db2.gz FVNVBQOPFREKQK-UHFFFAOYSA-N 1 1 282.387 3.216 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCCC23CC3)c(Cl)c1 ZINC001236799629 819599768 /nfs/dbraw/zinc/59/97/68/819599768.db2.gz TWKSSMJYEVYGGF-UHFFFAOYSA-N 1 1 267.756 3.183 20 10 CGCDMO COc1cc(O)c(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)c(Cl)c1 ZINC001236805406 819602457 /nfs/dbraw/zinc/60/24/57/819602457.db2.gz FSINOCIGESBCTR-GHMZBOCLSA-N 1 1 299.798 3.054 20 10 CGCDMO OC[C@H]1CCC[N@@H+](Cc2cc3ccccc3cc2O)CC1 ZINC001236827893 819609388 /nfs/dbraw/zinc/60/93/88/819609388.db2.gz WCLSWQZSTATDSF-AWEZNQCLSA-N 1 1 285.387 3.140 20 10 CGCDMO CCN1CC[N@@H+](Cc2cc3ccccc3cc2O)C[C@H]1C ZINC001236834632 819613115 /nfs/dbraw/zinc/61/31/15/819613115.db2.gz CJMNULZJMIMCFK-CQSZACIVSA-N 1 1 284.403 3.071 20 10 CGCDMO CC[N@@H+]1CCN(Cc2cc3ccccc3cc2O)C[C@H]1C ZINC001236834632 819613121 /nfs/dbraw/zinc/61/31/21/819613121.db2.gz CJMNULZJMIMCFK-CQSZACIVSA-N 1 1 284.403 3.071 20 10 CGCDMO CC[N@H+]1CCN(Cc2cc3ccccc3cc2O)C[C@H]1C ZINC001236834632 819613124 /nfs/dbraw/zinc/61/31/24/819613124.db2.gz CJMNULZJMIMCFK-CQSZACIVSA-N 1 1 284.403 3.071 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@H+]1CC[C@@H](N2CCCC2)C1 ZINC001236839385 819616526 /nfs/dbraw/zinc/61/65/26/819616526.db2.gz FXQWDLANUZJGIT-GOSISDBHSA-N 1 1 296.414 3.216 20 10 CGCDMO Oc1cc2ccccc2cc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC001236839385 819616530 /nfs/dbraw/zinc/61/65/30/819616530.db2.gz FXQWDLANUZJGIT-GOSISDBHSA-N 1 1 296.414 3.216 20 10 CGCDMO CC(C)[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2O)CCO1 ZINC001236837092 819617324 /nfs/dbraw/zinc/61/73/24/819617324.db2.gz NGKPRZQJKMKLER-SFHVURJKSA-N 1 1 285.387 3.402 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](CO)CC2)c(O)c1 ZINC001237044875 819650329 /nfs/dbraw/zinc/65/03/29/819650329.db2.gz FEXIXKILWANAEB-CQSZACIVSA-N 1 1 277.408 3.110 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2c(O)ccc(F)c2Cl)[C@H](C)C1 ZINC001237128548 819675624 /nfs/dbraw/zinc/67/56/24/819675624.db2.gz RKXRXWGKQSLYGG-ZJUUUORDSA-N 1 1 287.762 3.184 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)CC1OC=CC1=S ZINC001237181839 819690206 /nfs/dbraw/zinc/69/02/06/819690206.db2.gz GUVQBUBQYTZETL-UHFFFAOYSA-N 1 1 263.362 3.296 20 10 CGCDMO COc1ccc(CC[N@@H+](C)Cc2c(C)cccc2O)cc1 ZINC001237487076 819761718 /nfs/dbraw/zinc/76/17/18/819761718.db2.gz GBMWZNKTAHSIJC-UHFFFAOYSA-N 1 1 285.387 3.384 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H]1c1nccs1 ZINC001237486984 819762649 /nfs/dbraw/zinc/76/26/49/819762649.db2.gz FDLMQUKOKAHXKA-ZDUSSCGKSA-N 1 1 274.389 3.494 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c(O)c(OC)c1 ZINC001237678633 819803399 /nfs/dbraw/zinc/80/33/99/819803399.db2.gz QGTLBCKFRQWWQF-IUODEOHRSA-N 1 1 291.391 3.174 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@H](C)[C@H]2C)c(O)c(OC)c1 ZINC001237676538 819803829 /nfs/dbraw/zinc/80/38/29/819803829.db2.gz PQABHDJFJFGXCW-NWDGAFQWSA-N 1 1 279.380 3.030 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c(O)c(OC)c1 ZINC001237670232 819803860 /nfs/dbraw/zinc/80/38/60/819803860.db2.gz QYLZWFWGYDIISW-STQMWFEESA-N 1 1 291.391 3.031 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(C2)CCCCO3)c1O ZINC001237682186 819805241 /nfs/dbraw/zinc/80/52/41/819805241.db2.gz ZUNWHCCESOVIQU-MRXNPFEDSA-N 1 1 295.810 3.499 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)c1O ZINC001237679949 819806550 /nfs/dbraw/zinc/80/65/50/819806550.db2.gz MSZPULHEGAOTGH-IUODEOHRSA-N 1 1 295.810 3.355 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001237933549 819885809 /nfs/dbraw/zinc/88/58/09/819885809.db2.gz CHMHQLKZWUHRED-HNNXBMFYSA-N 1 1 299.773 3.330 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001237933549 819885818 /nfs/dbraw/zinc/88/58/18/819885818.db2.gz CHMHQLKZWUHRED-HNNXBMFYSA-N 1 1 299.773 3.330 20 10 CGCDMO C[N@H+](CCC1CC1)Cc1cc(F)c(Cl)cc1O ZINC001237948622 819892506 /nfs/dbraw/zinc/89/25/06/819892506.db2.gz FQOUMGOQKRDSFS-UHFFFAOYSA-N 1 1 257.736 3.417 20 10 CGCDMO C[N@@H+](CCC1CC1)Cc1cc(F)c(Cl)cc1O ZINC001237948622 819892518 /nfs/dbraw/zinc/89/25/18/819892518.db2.gz FQOUMGOQKRDSFS-UHFFFAOYSA-N 1 1 257.736 3.417 20 10 CGCDMO c1cn(Cc2ccccc2)c2cc[nH+]c(-c3cn[nH]c3)c12 ZINC001240239120 820911041 /nfs/dbraw/zinc/91/10/41/820911041.db2.gz KXTSNMYVCSCZFZ-UHFFFAOYSA-N 1 1 274.327 3.475 20 10 CGCDMO C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC001345481975 936812221 /nfs/dbraw/zinc/81/22/21/936812221.db2.gz JDFKJARRRVBXTL-OLZOCXBDSA-N 1 1 272.392 3.194 20 10 CGCDMO CCC[N@H+](CCN(CC)CC)Cc1ccc(N(C)C)cc1 ZINC001459920004 937506676 /nfs/dbraw/zinc/50/66/76/937506676.db2.gz BLXNQJSCUFRFHG-UHFFFAOYSA-N 1 1 291.483 3.306 20 10 CGCDMO CCC[N@@H+](CCN(CC)CC)Cc1ccc(N(C)C)cc1 ZINC001459920004 937506679 /nfs/dbraw/zinc/50/66/79/937506679.db2.gz BLXNQJSCUFRFHG-UHFFFAOYSA-N 1 1 291.483 3.306 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCCC[C@H](F)C2)c1O ZINC001140178394 931956777 /nfs/dbraw/zinc/95/67/77/931956777.db2.gz KKYPUQOJOQMRJG-ZDUSSCGKSA-N 1 1 251.345 3.333 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCCC[C@@H](F)C2)c1O ZINC001140178393 931957260 /nfs/dbraw/zinc/95/72/60/931957260.db2.gz KKYPUQOJOQMRJG-CYBMUJFWSA-N 1 1 251.345 3.333 20 10 CGCDMO CCCC[N@H+](C)CCNC/C=C/c1ccc(N(C)C)cc1 ZINC001461180049 937568002 /nfs/dbraw/zinc/56/80/02/937568002.db2.gz PMRZFLWIPNFSLA-BQYQJAHWSA-N 1 1 289.467 3.087 20 10 CGCDMO CCCC[N@@H+](C)CCNC/C=C/c1ccc(N(C)C)cc1 ZINC001461180049 937568005 /nfs/dbraw/zinc/56/80/05/937568005.db2.gz PMRZFLWIPNFSLA-BQYQJAHWSA-N 1 1 289.467 3.087 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+]CCC[C@@H]1CCCCO1 ZINC001462046404 937614445 /nfs/dbraw/zinc/61/44/45/937614445.db2.gz FHDTVFLJZZSFHV-LBPRGKRZSA-N 1 1 285.334 3.109 20 10 CGCDMO C[C@H]([NH2+]C1CC2(CC2(F)F)C1)c1c(O)cccc1F ZINC001333464789 932758432 /nfs/dbraw/zinc/75/84/32/932758432.db2.gz BJIUBSRUGAZJIN-BVDKZHGWSA-N 1 1 271.282 3.370 20 10 CGCDMO Oc1cc(Cl)ccc1C[NH2+]Cc1noc2c1CCCC2 ZINC001462319214 937632582 /nfs/dbraw/zinc/63/25/82/937632582.db2.gz PUUQZFMYNUNEIM-UHFFFAOYSA-N 1 1 292.766 3.202 20 10 CGCDMO Cc1cc(C[N@H+]2CC(C)(C)CC[C@H]2CO)ccc1N(C)C ZINC001307955111 933026236 /nfs/dbraw/zinc/02/62/36/933026236.db2.gz WTMJDAGRZAQRJB-INIZCTEOSA-N 1 1 290.451 3.044 20 10 CGCDMO CC(C)C[C@@H](CNCc1ccc2c(c1)CCCO2)[NH+](C)C ZINC001308193350 933069622 /nfs/dbraw/zinc/06/96/22/933069622.db2.gz VNWCUQMVVRCMTG-KRWDZBQOSA-N 1 1 290.451 3.078 20 10 CGCDMO CC[C@H]1CC[N@@H+](Cc2c(C)cc(OC)cc2O)[C@@H]1C ZINC001308706218 933163621 /nfs/dbraw/zinc/16/36/21/933163621.db2.gz TWHXWSUDECLVHF-OLZOCXBDSA-N 1 1 263.381 3.330 20 10 CGCDMO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(C)cc1O ZINC001308842739 933187801 /nfs/dbraw/zinc/18/78/01/933187801.db2.gz HZWORFCYMCNQNE-CQSZACIVSA-N 1 1 293.407 3.253 20 10 CGCDMO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(C)cc1O ZINC001308842739 933187804 /nfs/dbraw/zinc/18/78/04/933187804.db2.gz HZWORFCYMCNQNE-CQSZACIVSA-N 1 1 293.407 3.253 20 10 CGCDMO COCc1csc(C[NH2+]Cc2cc(F)c(F)cc2O)c1 ZINC001308867081 933193887 /nfs/dbraw/zinc/19/38/87/933193887.db2.gz IKSVNGURHRPODL-UHFFFAOYSA-N 1 1 299.342 3.168 20 10 CGCDMO Cc1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)[nH]n1 ZINC001319687618 933915676 /nfs/dbraw/zinc/91/56/76/933915676.db2.gz PGBRXGBLZAVHJF-UHFFFAOYSA-N 1 1 286.423 3.195 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H](OCC)C1CC1 ZINC001328835280 935172446 /nfs/dbraw/zinc/17/24/46/935172446.db2.gz VTVQSEWVWDPIHC-QGZVFWFLSA-N 1 1 277.408 3.419 20 10 CGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC001330780433 935321714 /nfs/dbraw/zinc/32/17/14/935321714.db2.gz SLGGABKEPXQOIA-HZPDHXFCSA-N 1 1 256.393 3.129 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H](CF)C1)CCC2 ZINC001331478783 935384083 /nfs/dbraw/zinc/38/40/83/935384083.db2.gz SVPDIXWZFCJUQM-GFCCVEGCSA-N 1 1 263.356 3.062 20 10 CGCDMO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001334327495 936097644 /nfs/dbraw/zinc/09/76/44/936097644.db2.gz RTMJPCRLVCFAPA-CRAIPNDOSA-N 1 1 288.435 3.286 20 10 CGCDMO Cc1csc([C@H]2CC[N@@H+](Cc3ccc(N)cc3)C2)n1 ZINC001337838584 936293508 /nfs/dbraw/zinc/29/35/08/936293508.db2.gz PTYRWSAYGBREPP-ZDUSSCGKSA-N 1 1 273.405 3.023 20 10 CGCDMO Cc1ccc(OCC[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC001560255983 938249420 /nfs/dbraw/zinc/24/94/20/938249420.db2.gz TXTWGELIQQMKDV-UHFFFAOYSA-N 1 1 293.313 3.147 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCN(C)CC23CCCCC3)c(O)c1 ZINC001560646977 938267684 /nfs/dbraw/zinc/26/76/84/938267684.db2.gz MTQRSQNJYNMXCE-UHFFFAOYSA-N 1 1 288.435 3.151 20 10 CGCDMO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1cc(C(C)C)ccc1O ZINC001560666238 938268861 /nfs/dbraw/zinc/26/88/61/938268861.db2.gz AUEGUTHEBGXVHT-CYBMUJFWSA-N 1 1 293.407 3.288 20 10 CGCDMO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1cc(C(C)C)ccc1O ZINC001560666238 938268862 /nfs/dbraw/zinc/26/88/62/938268862.db2.gz AUEGUTHEBGXVHT-CYBMUJFWSA-N 1 1 293.407 3.288 20 10 CGCDMO CC1(C)C[N@H+](Cc2cc(F)cc(F)c2O)[C@H]1C1CC1 ZINC001560868661 938280630 /nfs/dbraw/zinc/28/06/30/938280630.db2.gz LJPDLTDGMNHTAB-AWEZNQCLSA-N 1 1 267.319 3.291 20 10 CGCDMO CC1(C)C[N@@H+](Cc2cc(F)cc(F)c2O)[C@H]1C1CC1 ZINC001560868661 938280631 /nfs/dbraw/zinc/28/06/31/938280631.db2.gz LJPDLTDGMNHTAB-AWEZNQCLSA-N 1 1 267.319 3.291 20 10 CGCDMO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]Cc2c(O)cccc2F)C1 ZINC001561015814 938289671 /nfs/dbraw/zinc/28/96/71/938289671.db2.gz HZAFWWVUSRQLCL-JTNHKYCSSA-N 1 1 251.345 3.446 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+]C[C@@H]1OCc2ccccc21 ZINC001561048729 938291463 /nfs/dbraw/zinc/29/14/63/938291463.db2.gz COLLNDAENUZFSH-INIZCTEOSA-N 1 1 291.297 3.032 20 10 CGCDMO CCN(CC)c1ccc(CNCCC[NH2+]C(C)C)cc1F ZINC001577699731 962565517 /nfs/dbraw/zinc/56/55/17/962565517.db2.gz WEHGLOXJWIGOFX-UHFFFAOYSA-N 1 1 295.446 3.150 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]CC[C@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC001579638456 962645250 /nfs/dbraw/zinc/64/52/50/962645250.db2.gz XYBSREONYYRJNU-ZDUSSCGKSA-N 1 1 296.842 3.223 20 10 CGCDMO [O-]c1c(C[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc2ccccc21 ZINC001580885855 962739903 /nfs/dbraw/zinc/73/99/03/962739903.db2.gz PAAJMXZLWRJKTP-AYGBPOKTSA-N 1 1 296.414 3.166 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c1 ZINC000093388028 345876542 /nfs/dbraw/zinc/87/65/42/345876542.db2.gz GMHOQLPUJGTCLT-GOSISDBHSA-N 1 1 297.398 3.182 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1ccc(F)cc1O ZINC000287557649 371673004 /nfs/dbraw/zinc/67/30/04/371673004.db2.gz PZRSJQJZPDOXDM-ZOWXZIJZSA-N 1 1 281.371 3.245 20 10 CGCDMO CCOC[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293794989 372485425 /nfs/dbraw/zinc/48/54/25/372485425.db2.gz BOCKPPIHNIOFOY-JTQLQIEISA-N 1 1 287.762 3.043 20 10 CGCDMO CCOC[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000293794989 372485439 /nfs/dbraw/zinc/48/54/39/372485439.db2.gz BOCKPPIHNIOFOY-JTQLQIEISA-N 1 1 287.762 3.043 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)ccc1N(C)C ZINC000293840708 372497364 /nfs/dbraw/zinc/49/73/64/372497364.db2.gz QMAZQTUIIDPZLC-MRXNPFEDSA-N 1 1 298.434 3.164 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000293842469 372499367 /nfs/dbraw/zinc/49/93/67/372499367.db2.gz BCUGFOAVVSTGFN-CVEARBPZSA-N 1 1 293.794 3.189 20 10 CGCDMO CS[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000295099670 372692866 /nfs/dbraw/zinc/69/28/66/372692866.db2.gz SOBGAQAXVFWGLN-CYBMUJFWSA-N 1 1 273.401 3.483 20 10 CGCDMO C[N@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCSC1 ZINC000295424483 372776810 /nfs/dbraw/zinc/77/68/10/372776810.db2.gz SMWNLTYLXZGYEX-VIFPVBQESA-N 1 1 275.776 3.122 20 10 CGCDMO C[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCSC1 ZINC000295424483 372776816 /nfs/dbraw/zinc/77/68/16/372776816.db2.gz SMWNLTYLXZGYEX-VIFPVBQESA-N 1 1 275.776 3.122 20 10 CGCDMO Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c(O)c1C ZINC000296288495 373081633 /nfs/dbraw/zinc/08/16/33/373081633.db2.gz FHTTWFPRXMBDFX-HNSVSWJLSA-N 1 1 288.435 3.285 20 10 CGCDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000179887711 373934677 /nfs/dbraw/zinc/93/46/77/373934677.db2.gz IUKWBSJNNYJRAC-OAHLLOKOSA-N 1 1 274.339 3.207 20 10 CGCDMO Cc1cccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1O ZINC000180439303 374006658 /nfs/dbraw/zinc/00/66/58/374006658.db2.gz RDQFXFJAHWNPHI-MRXNPFEDSA-N 1 1 276.424 3.007 20 10 CGCDMO Cc1cccc(CN(C)CC[C@H]2CCCC[N@@H+]2C)c1O ZINC000180439303 374006673 /nfs/dbraw/zinc/00/66/73/374006673.db2.gz RDQFXFJAHWNPHI-MRXNPFEDSA-N 1 1 276.424 3.007 20 10 CGCDMO Cc1cccc(CN(C)CC[C@H]2CCCC[N@H+]2C)c1O ZINC000180439303 374006676 /nfs/dbraw/zinc/00/66/76/374006676.db2.gz RDQFXFJAHWNPHI-MRXNPFEDSA-N 1 1 276.424 3.007 20 10 CGCDMO CCc1cnc(C[N@H+](C)Cc2cccc(C)c2O)s1 ZINC000180558832 374022402 /nfs/dbraw/zinc/02/24/02/374022402.db2.gz WIGRNSPXFCUFGG-UHFFFAOYSA-N 1 1 276.405 3.352 20 10 CGCDMO CCc1cnc(C[N@@H+](C)Cc2cccc(C)c2O)s1 ZINC000180558832 374022408 /nfs/dbraw/zinc/02/24/08/374022408.db2.gz WIGRNSPXFCUFGG-UHFFFAOYSA-N 1 1 276.405 3.352 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+](C)CCc2ccncc2)c1O ZINC000183758848 374451739 /nfs/dbraw/zinc/45/17/39/374451739.db2.gz JXRCEEQDYWOWGT-UHFFFAOYSA-N 1 1 290.794 3.424 20 10 CGCDMO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185564419 374688581 /nfs/dbraw/zinc/68/85/81/374688581.db2.gz ZFHWHNUWTKVDRT-GHMZBOCLSA-N 1 1 269.360 3.386 20 10 CGCDMO CC(C)(C)c1ncc2c(n1)CC[N@@H+](Cc1ccccc1O)C2 ZINC000529642960 375931659 /nfs/dbraw/zinc/93/16/59/375931659.db2.gz PDFBFUGFYBXZHK-UHFFFAOYSA-N 1 1 297.402 3.038 20 10 CGCDMO CC(C)(C)c1ncc2c(n1)CC[N@H+](Cc1ccccc1O)C2 ZINC000529642960 375931666 /nfs/dbraw/zinc/93/16/66/375931666.db2.gz PDFBFUGFYBXZHK-UHFFFAOYSA-N 1 1 297.402 3.038 20 10 CGCDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1cccc(OC)c1O ZINC000195198113 376088495 /nfs/dbraw/zinc/08/84/95/376088495.db2.gz SLEDRURBTDPDCO-KRWDZBQOSA-N 1 1 293.407 3.182 20 10 CGCDMO CO[C@@H](C)c1nc(C[NH2+]Cc2cc(C)ccc2O)cs1 ZINC000267620011 378043127 /nfs/dbraw/zinc/04/31/27/378043127.db2.gz KQLITZYNGSNHEM-NSHDSACASA-N 1 1 292.404 3.154 20 10 CGCDMO Cc1ncsc1C[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000271146229 378463757 /nfs/dbraw/zinc/46/37/57/378463757.db2.gz HWGWZMITTKXDGZ-UHFFFAOYSA-N 1 1 293.411 3.289 20 10 CGCDMO Cc1ncsc1C[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000271146229 378463764 /nfs/dbraw/zinc/46/37/64/378463764.db2.gz HWGWZMITTKXDGZ-UHFFFAOYSA-N 1 1 293.411 3.289 20 10 CGCDMO COc1cccc(C[N@@H+](Cc2ccco2)C(C)C)c1O ZINC000271049966 378439990 /nfs/dbraw/zinc/43/99/90/378439990.db2.gz OKDNIKMTHDPTOM-UHFFFAOYSA-N 1 1 275.348 3.404 20 10 CGCDMO CO[C@H](C)c1nc(C[NH2+][C@@H](C)c2ccccc2O)cs1 ZINC000271724919 378502287 /nfs/dbraw/zinc/50/22/87/378502287.db2.gz YPTFSSRWHGDZIK-WDEREUQCSA-N 1 1 292.404 3.407 20 10 CGCDMO Oc1c(F)cccc1C[NH+]1CCC(c2ccccn2)CC1 ZINC000371528748 379168284 /nfs/dbraw/zinc/16/82/84/379168284.db2.gz NVHOSFFFEAOFMR-UHFFFAOYSA-N 1 1 286.350 3.306 20 10 CGCDMO CO[C@H](C[N@@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000284364621 380139160 /nfs/dbraw/zinc/13/91/60/380139160.db2.gz KVLHDDCCMJUSMD-QGZVFWFLSA-N 1 1 271.360 3.212 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](N3CCCC3)C[C@H]2C)cc1C ZINC000285264598 380144775 /nfs/dbraw/zinc/14/47/75/380144775.db2.gz XYUPBUJHTMOGCD-WBVHZDCISA-N 1 1 288.435 3.068 20 10 CGCDMO Cc1cc(O)c(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1C ZINC000285264598 380144781 /nfs/dbraw/zinc/14/47/81/380144781.db2.gz XYUPBUJHTMOGCD-WBVHZDCISA-N 1 1 288.435 3.068 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1c(F)cncc1F ZINC000285571675 380149743 /nfs/dbraw/zinc/14/97/43/380149743.db2.gz UGYABCYOMDSFTP-NSHDSACASA-N 1 1 291.345 3.277 20 10 CGCDMO CC[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(F)cc1O ZINC000286141262 380164990 /nfs/dbraw/zinc/16/49/90/380164990.db2.gz OYSCGIQKCIGEQP-DGCLKSJQSA-N 1 1 269.385 3.468 20 10 CGCDMO CC[C@@H]([NH2+]Cc1ccc(C)nc1)c1ccc(F)cc1O ZINC000285862988 380152979 /nfs/dbraw/zinc/15/29/79/380152979.db2.gz YLQJKSYFYPZNSS-OAHLLOKOSA-N 1 1 274.339 3.476 20 10 CGCDMO CC[C@H]([NH2+][C@@H](CCO)C(C)(C)C)c1ccc(F)cc1O ZINC000286022145 380158805 /nfs/dbraw/zinc/15/88/05/380158805.db2.gz IRWOXDAHJROAGO-ZFWWWQNUSA-N 1 1 283.387 3.369 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@H]1c1ncon1 ZINC000360156032 381461409 /nfs/dbraw/zinc/46/14/09/381461409.db2.gz BKMMDAVEPVJAOW-HNNXBMFYSA-N 1 1 295.342 3.266 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCC[C@H]1c1ncon1 ZINC000360156032 381461410 /nfs/dbraw/zinc/46/14/10/381461410.db2.gz BKMMDAVEPVJAOW-HNNXBMFYSA-N 1 1 295.342 3.266 20 10 CGCDMO Cc1cc(Cl)cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1O ZINC000362238467 381915517 /nfs/dbraw/zinc/91/55/17/381915517.db2.gz QQKDKPZWUZRKID-HUUCEWRRSA-N 1 1 294.826 3.070 20 10 CGCDMO Cc1cc(Cl)cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1O ZINC000362238467 381915528 /nfs/dbraw/zinc/91/55/28/381915528.db2.gz QQKDKPZWUZRKID-HUUCEWRRSA-N 1 1 294.826 3.070 20 10 CGCDMO CC[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000278257826 286846696 /nfs/dbraw/zinc/84/66/96/286846696.db2.gz NHLAVZUUWLJWSY-SFYZADRCSA-N 1 1 278.179 3.121 20 10 CGCDMO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000185098874 262041286 /nfs/dbraw/zinc/04/12/86/262041286.db2.gz NMGPCTIGCZBYHU-YVEFUNNKSA-N 1 1 289.350 3.224 20 10 CGCDMO Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(F)cc2O)c1 ZINC000186124478 262080952 /nfs/dbraw/zinc/08/09/52/262080952.db2.gz RYZIBIODJNVHAE-YVEFUNNKSA-N 1 1 289.350 3.224 20 10 CGCDMO COCCC(C)(C)C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000183928768 262251926 /nfs/dbraw/zinc/25/19/26/262251926.db2.gz KTBBWYNTFTYVGO-LLVKDONJSA-N 1 1 269.360 3.245 20 10 CGCDMO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cccc(F)c1O ZINC000289756038 263111929 /nfs/dbraw/zinc/11/19/29/263111929.db2.gz QWBQZHVEABDHLM-JSGCOSHPSA-N 1 1 281.371 3.047 20 10 CGCDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cccc(F)c1O ZINC000289756038 263111930 /nfs/dbraw/zinc/11/19/30/263111930.db2.gz QWBQZHVEABDHLM-JSGCOSHPSA-N 1 1 281.371 3.047 20 10 CGCDMO C[C@@H]1COCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000370183743 267297043 /nfs/dbraw/zinc/29/70/43/267297043.db2.gz LXYRBUYDILTHLP-INIZCTEOSA-N 1 1 288.435 3.145 20 10 CGCDMO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000037292608 290019187 /nfs/dbraw/zinc/01/91/87/290019187.db2.gz NJUWQDIQQFJUAB-BMGDILEWSA-N 1 1 287.451 3.030 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000037292608 290019190 /nfs/dbraw/zinc/01/91/90/290019190.db2.gz NJUWQDIQQFJUAB-BMGDILEWSA-N 1 1 287.451 3.030 20 10 CGCDMO CCCCN1CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000037150475 520577159 /nfs/dbraw/zinc/57/71/59/520577159.db2.gz LERSSQCDWVIGPZ-AWEZNQCLSA-N 1 1 276.424 3.307 20 10 CGCDMO CC[N@@H+](Cc1cc(OC)ccc1O)[C@H](C)c1cccnc1 ZINC000290468380 521291220 /nfs/dbraw/zinc/29/12/20/521291220.db2.gz NIGAMKLQDAKBSJ-CYBMUJFWSA-N 1 1 286.375 3.379 20 10 CGCDMO CCOC1CC2(C1)CC[N@@H+](Cc1cccc(C)c1O)C2 ZINC000289511020 521653892 /nfs/dbraw/zinc/65/38/92/521653892.db2.gz GTMOOVRCEADMJB-UHFFFAOYSA-N 1 1 275.392 3.092 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCCC3(CCC3)C2)cc1OC ZINC000366289062 522774931 /nfs/dbraw/zinc/77/49/31/522774931.db2.gz WACAKOJCRYLBFX-UHFFFAOYSA-N 1 1 291.391 3.176 20 10 CGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc(C)ccc2O)CC1 ZINC000280262041 523806552 /nfs/dbraw/zinc/80/65/52/523806552.db2.gz LXHNFNXMVLNGJJ-INIZCTEOSA-N 1 1 263.381 3.092 20 10 CGCDMO Cc1cccc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1O ZINC000291669417 524386439 /nfs/dbraw/zinc/38/64/39/524386439.db2.gz WETPVVNYGRWESL-ZBFHGGJFSA-N 1 1 275.392 3.090 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCCO1 ZINC000096810806 524982566 /nfs/dbraw/zinc/98/25/66/524982566.db2.gz KYBFIRGPUXZVGG-CYBMUJFWSA-N 1 1 271.360 3.156 20 10 CGCDMO C[C@]1(O)CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000129419365 525309153 /nfs/dbraw/zinc/30/91/53/525309153.db2.gz LHTKHCKWEYVIEV-SFHVURJKSA-N 1 1 288.435 3.024 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)cc1C ZINC000280450823 525315522 /nfs/dbraw/zinc/31/55/22/525315522.db2.gz LHZBVLZQTRRYSH-GDBMZVCRSA-N 1 1 277.408 3.134 20 10 CGCDMO Oc1ccccc1C[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000278542527 526374802 /nfs/dbraw/zinc/37/48/02/526374802.db2.gz AGBJQNPGSNZSDV-UHFFFAOYSA-N 1 1 288.294 3.157 20 10 CGCDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000290385599 526524546 /nfs/dbraw/zinc/52/45/46/526524546.db2.gz IJUGBBABANMNIH-CQSZACIVSA-N 1 1 289.354 3.208 20 10 CGCDMO C[C@H](CCN(C)C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000725849883 572443668 /nfs/dbraw/zinc/44/36/68/572443668.db2.gz ZLBZXYJSRRTRJW-OAHLLOKOSA-N 1 1 298.430 3.489 20 10 CGCDMO CCSCC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000741804951 572531474 /nfs/dbraw/zinc/53/14/74/572531474.db2.gz JVVMYZHNCFSYLK-UHFFFAOYSA-N 1 1 278.465 3.470 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCCCOC)cc1 ZINC000735563993 572731485 /nfs/dbraw/zinc/73/14/85/572731485.db2.gz ZRELXFXQUOSXDB-UHFFFAOYSA-N 1 1 278.440 3.391 20 10 CGCDMO CCC[N@@H+](CCCOCC)Cc1ccccc1O ZINC000160161366 617609883 /nfs/dbraw/zinc/60/98/83/617609883.db2.gz SAAUGPWDTGVQTC-UHFFFAOYSA-N 1 1 251.370 3.031 20 10 CGCDMO C[C@H]1CC[N@H+](Cc2cccc(Br)c2O)[C@H]1C ZINC000245689730 618166333 /nfs/dbraw/zinc/16/63/33/618166333.db2.gz AQBPSBYJGNQYFP-UWVGGRQHSA-N 1 1 284.197 3.385 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)[C@H]1C ZINC000245689730 618166337 /nfs/dbraw/zinc/16/63/37/618166337.db2.gz AQBPSBYJGNQYFP-UWVGGRQHSA-N 1 1 284.197 3.385 20 10 CGCDMO COc1ccc(C[N@@H+]([C@@H](C)C2CC2)C2CC2)c(O)c1OC ZINC000891669164 618244872 /nfs/dbraw/zinc/24/48/72/618244872.db2.gz WADKDIRJRABXIY-NSHDSACASA-N 1 1 291.391 3.172 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2ccccc2O)c(C)c1 ZINC000891713650 618253590 /nfs/dbraw/zinc/25/35/90/618253590.db2.gz JEBZGVTWCWXPHA-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc3c2OCO3)cc1 ZINC000161638272 618704882 /nfs/dbraw/zinc/70/48/82/618704882.db2.gz OGWHLLQVFQGTGW-UHFFFAOYSA-N 1 1 298.386 3.113 20 10 CGCDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000184984819 625286150 /nfs/dbraw/zinc/28/61/50/625286150.db2.gz AJPGVFLRTNNSHX-OCCSQVGLSA-N 1 1 263.381 3.330 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1ncccc1C(F)(F)F ZINC000091956529 618782681 /nfs/dbraw/zinc/78/26/81/618782681.db2.gz CCZQSUPTRJEHBB-UHFFFAOYSA-N 1 1 296.292 3.438 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000179582254 618796142 /nfs/dbraw/zinc/79/61/42/618796142.db2.gz HHLJVHBZDAZTRG-UHFFFAOYSA-N 1 1 275.392 3.317 20 10 CGCDMO Cc1ccc[nH+]c1NCc1ccc(N(C)C)cc1C ZINC000840879964 618811483 /nfs/dbraw/zinc/81/14/83/618811483.db2.gz RTVARSIQVPSVHJ-UHFFFAOYSA-N 1 1 255.365 3.377 20 10 CGCDMO CCCC[C@H](C)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000311772072 618917583 /nfs/dbraw/zinc/91/75/83/618917583.db2.gz HMAQXUBLCCCNLP-NSHDSACASA-N 1 1 265.353 3.131 20 10 CGCDMO CCCN1CCC([NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000035628923 618997217 /nfs/dbraw/zinc/99/72/17/618997217.db2.gz SPVSGBWFVVJAOP-AWEZNQCLSA-N 1 1 276.424 3.226 20 10 CGCDMO Cc1cc(O)c(CN[C@H]2CCC[C@@H]([NH+](C)C)C2)c(Cl)c1 ZINC000840903250 619081276 /nfs/dbraw/zinc/08/12/76/619081276.db2.gz LCKURHHEAMQDRD-QWHCGFSZSA-N 1 1 296.842 3.316 20 10 CGCDMO Cc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2O)nc1C ZINC000314192141 619218151 /nfs/dbraw/zinc/21/81/51/619218151.db2.gz PYQWKYILENQLGJ-GFCCVEGCSA-N 1 1 274.339 3.394 20 10 CGCDMO C[C@H](c1ccco1)[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000893932214 619335579 /nfs/dbraw/zinc/33/55/79/619335579.db2.gz ZGCNLFJQQKOFOB-SECBINFHSA-N 1 1 267.275 3.456 20 10 CGCDMO C[C@H](c1ccco1)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000893932214 619335580 /nfs/dbraw/zinc/33/55/80/619335580.db2.gz ZGCNLFJQQKOFOB-SECBINFHSA-N 1 1 267.275 3.456 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)Cc2cccc(C)n2)c1O ZINC000894050155 619359300 /nfs/dbraw/zinc/35/93/00/619359300.db2.gz PQNQXQVLFSAYCJ-UHFFFAOYSA-N 1 1 286.375 3.045 20 10 CGCDMO FC[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000895575824 619852378 /nfs/dbraw/zinc/85/23/78/619852378.db2.gz VFLSWPHMLZXXRP-INIZCTEOSA-N 1 1 276.399 3.468 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@H](CF)C2)cc1 ZINC000895568706 619853899 /nfs/dbraw/zinc/85/38/99/619853899.db2.gz PTEDRNHSIIEFPK-BWPKMQGJSA-N 1 1 262.372 3.057 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](CF)C2)cc1Cl ZINC000895568039 619854050 /nfs/dbraw/zinc/85/40/50/619854050.db2.gz LPGLSTNTLQRRJJ-JTQLQIEISA-N 1 1 257.736 3.145 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000896598207 620034846 /nfs/dbraw/zinc/03/48/46/620034846.db2.gz FKWPJMDUERBQIY-KRWDZBQOSA-N 1 1 296.418 3.092 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+]2CCn3cccc3C2)cc1 ZINC000896761448 620057666 /nfs/dbraw/zinc/05/76/66/620057666.db2.gz ORBRWISAWLDNHL-HYXAFXHYSA-N 1 1 281.403 3.083 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCn3cccc3C2)cc1 ZINC000896761448 620057668 /nfs/dbraw/zinc/05/76/68/620057668.db2.gz ORBRWISAWLDNHL-HYXAFXHYSA-N 1 1 281.403 3.083 20 10 CGCDMO CO[C@H](C)C[N@@H+](C)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000795752103 620069721 /nfs/dbraw/zinc/06/97/21/620069721.db2.gz SLBJTMBLDIMUBE-CYBMUJFWSA-N 1 1 279.424 3.465 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000898067854 620474632 /nfs/dbraw/zinc/47/46/32/620474632.db2.gz IGFWFLMKCHOZRO-ZDUSSCGKSA-N 1 1 288.416 3.222 20 10 CGCDMO CN(C)c1ccc([C@H]([NH3+])CNC/C=C\c2ccccc2)cc1 ZINC000841043989 620541873 /nfs/dbraw/zinc/54/18/73/620541873.db2.gz SHDYJDTYBANKQZ-WMHRWZGDSA-N 1 1 295.430 3.055 20 10 CGCDMO CCCC[N@@H+](Cc1ccccc1O)CC1(O)CCCC1 ZINC000801597451 620563396 /nfs/dbraw/zinc/56/33/96/620563396.db2.gz HKZOKDSRQJUTPK-UHFFFAOYSA-N 1 1 277.408 3.299 20 10 CGCDMO Cc1cccc(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1O ZINC000898515897 620595272 /nfs/dbraw/zinc/59/52/72/620595272.db2.gz HJUWVPAJQNFUPB-WBVHZDCISA-N 1 1 289.419 3.339 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)c1c(O)cccc1F ZINC000903255303 621643505 /nfs/dbraw/zinc/64/35/05/621643505.db2.gz XMQKQVNHETTXLG-WBIUFABUSA-N 1 1 279.355 3.140 20 10 CGCDMO C[C@@H]([NH2+][C@H](C)c1c(O)cccc1F)c1cncs1 ZINC000903305378 621679377 /nfs/dbraw/zinc/67/93/77/621679377.db2.gz LKUGVBMVONEQSS-RKDXNWHRSA-N 1 1 266.341 3.400 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1cncs1 ZINC000903311369 621683795 /nfs/dbraw/zinc/68/37/95/621683795.db2.gz OUMDDVLIZDHPII-DTWKUNHWSA-N 1 1 266.341 3.400 20 10 CGCDMO CC[C@H]([NH2+]C[C@@]1(OC)CCSC1)c1ccc(F)cc1O ZINC000903313969 621685303 /nfs/dbraw/zinc/68/53/03/621685303.db2.gz DSGJZEOFLSGZHC-ZFWWWQNUSA-N 1 1 299.411 3.094 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCOC12CCCC2)c1ccc(F)cc1O ZINC000903381520 621723582 /nfs/dbraw/zinc/72/35/82/621723582.db2.gz AQVZJJOAWCAQLW-NHYWBVRUSA-N 1 1 279.355 3.284 20 10 CGCDMO CC[C@H](C)C[N@@H+](C)Cc1cc(C)cc(OC)c1O ZINC000164317054 622828619 /nfs/dbraw/zinc/82/86/19/622828619.db2.gz NECRXJOIADRKNB-NSHDSACASA-N 1 1 251.370 3.187 20 10 CGCDMO CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)CC1CCC1 ZINC000230324049 623235118 /nfs/dbraw/zinc/23/51/18/623235118.db2.gz SNADHNXNNQXSBJ-UHFFFAOYSA-N 1 1 279.355 3.356 20 10 CGCDMO CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)CC1CCC1 ZINC000230324049 623235128 /nfs/dbraw/zinc/23/51/28/623235128.db2.gz SNADHNXNNQXSBJ-UHFFFAOYSA-N 1 1 279.355 3.356 20 10 CGCDMO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1O)N1CCCC1 ZINC000062745398 623264369 /nfs/dbraw/zinc/26/43/69/623264369.db2.gz OHXCMVDAZFSPGL-CZUORRHYSA-N 1 1 294.414 3.302 20 10 CGCDMO C[C@H]([NH2+]CCC(F)(F)F)c1ccc(F)cc1O ZINC000063099728 623295941 /nfs/dbraw/zinc/29/59/41/623295941.db2.gz BDGIUKNJYXSGTO-ZETCQYMHSA-N 1 1 251.223 3.134 20 10 CGCDMO [O-]c1ccc(Cl)cc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197826 623307613 /nfs/dbraw/zinc/30/76/13/623307613.db2.gz WQZZSWLJZGXCGF-OAHLLOKOSA-N 1 1 294.826 3.010 20 10 CGCDMO CC[C@@H](CN[C@@H](C)c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000151671203 623555949 /nfs/dbraw/zinc/55/59/49/623555949.db2.gz SYSYBRMROLJYDE-RDJZCZTQSA-N 1 1 289.467 3.278 20 10 CGCDMO CCCC[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000917088471 624237799 /nfs/dbraw/zinc/23/77/99/624237799.db2.gz XSZUFBFQUPXZPD-UHFFFAOYSA-N 1 1 262.397 3.007 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)nc1 ZINC000155188290 624448225 /nfs/dbraw/zinc/44/82/25/624448225.db2.gz ZIVMRVVPXOSSDV-UHFFFAOYSA-N 1 1 269.392 3.088 20 10 CGCDMO CC(=O)c1cc(F)cc(C[NH+](CC2CC2)CC2CC2)c1O ZINC000070505926 625012464 /nfs/dbraw/zinc/01/24/64/625012464.db2.gz VNNJRAXMTLUXTA-UHFFFAOYSA-N 1 1 291.366 3.356 20 10 CGCDMO Cc1cccc(C[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c1O ZINC000183376339 625068074 /nfs/dbraw/zinc/06/80/74/625068074.db2.gz IWLKSVMLXUITNN-GOSISDBHSA-N 1 1 296.414 3.189 20 10 CGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839193777 626329103 /nfs/dbraw/zinc/32/91/03/626329103.db2.gz XYPOGOXVOVBWSI-IRXDYDNUSA-N 1 1 288.460 3.367 20 10 CGCDMO COc1cccc(C[N@H+]2C[C@H](C)CC(C)(C)C2)c1O ZINC000753577238 626456477 /nfs/dbraw/zinc/45/64/77/626456477.db2.gz ZYUJMQOJGRYJSB-GFCCVEGCSA-N 1 1 263.381 3.269 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCOC[C@@H](C)C2)cc1C(C)C ZINC000753987273 626470905 /nfs/dbraw/zinc/47/09/05/626470905.db2.gz QAWNPSIMISOMKS-ZDUSSCGKSA-N 1 1 277.408 3.292 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCOC[C@H]2CC(C)C)c1 ZINC000754725809 626584968 /nfs/dbraw/zinc/58/49/68/626584968.db2.gz AFQVAARVCUUBPL-MRXNPFEDSA-N 1 1 277.408 3.256 20 10 CGCDMO CC[NH+](CC)CCCN[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756339596 626693491 /nfs/dbraw/zinc/69/34/91/626693491.db2.gz CTIIICDFXBJKFQ-JSGCOSHPSA-N 1 1 294.414 3.401 20 10 CGCDMO CC[N@H+](CCN[C@H]1C[C@H](C)c2c1c(O)ccc2F)C(C)C ZINC000756527558 626712671 /nfs/dbraw/zinc/71/26/71/626712671.db2.gz ZVXLZVVTWBKQTC-JSGCOSHPSA-N 1 1 294.414 3.400 20 10 CGCDMO CC[N@@H+](CCN[C@H]1C[C@H](C)c2c1c(O)ccc2F)C(C)C ZINC000756527558 626712674 /nfs/dbraw/zinc/71/26/74/626712674.db2.gz ZVXLZVVTWBKQTC-JSGCOSHPSA-N 1 1 294.414 3.400 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)C1CCOCC1 ZINC000756630375 626722110 /nfs/dbraw/zinc/72/21/10/626722110.db2.gz VHGDJQONBDOUJI-IAQYHMDHSA-N 1 1 281.371 3.387 20 10 CGCDMO Cc1cnc(C[N@@H+](Cc2ccccc2O)C2CCCC2)nc1 ZINC000760840807 626996044 /nfs/dbraw/zinc/99/60/44/626996044.db2.gz PUIZFEJWFPIWBU-UHFFFAOYSA-N 1 1 297.402 3.435 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H]2C(C)C)c1O ZINC000761202462 627024725 /nfs/dbraw/zinc/02/47/25/627024725.db2.gz YQVVMPANMCZJOW-GFCCVEGCSA-N 1 1 269.772 3.285 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H]2C(C)C)c1O ZINC000761202465 627024800 /nfs/dbraw/zinc/02/48/00/627024800.db2.gz YQVVMPANMCZJOW-LBPRGKRZSA-N 1 1 269.772 3.285 20 10 CGCDMO C[C@H]([NH2+]CCOCC1CCC1)c1cc(F)cc(F)c1O ZINC000765808310 627272429 /nfs/dbraw/zinc/27/24/29/627272429.db2.gz JDBPGDRRHWKHBM-JTQLQIEISA-N 1 1 285.334 3.138 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)CC2=CCCOC2)cc1 ZINC000768208013 627468745 /nfs/dbraw/zinc/46/87/45/627468745.db2.gz MAKFGBOKWNLVCT-UHFFFAOYSA-N 1 1 288.435 3.311 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCN(C)c3ccccc3C2)cc1C ZINC000769320842 627541393 /nfs/dbraw/zinc/54/13/93/627541393.db2.gz YKNZFGXMTFOOIG-UHFFFAOYSA-N 1 1 296.414 3.461 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCc2c(F)cccc2C1 ZINC000769387104 627547525 /nfs/dbraw/zinc/54/75/25/627547525.db2.gz INMPWTINJSYSJN-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO C[C@@]1(O)CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000769469458 627556055 /nfs/dbraw/zinc/55/60/55/627556055.db2.gz YOSZGGVVVMQVTH-LJQANCHMSA-N 1 1 297.398 3.406 20 10 CGCDMO CCN1CC[C@@H]([N@H+](C)Cc2cc(C)c(C)cc2O)C[C@@H]1C ZINC000769469926 627556666 /nfs/dbraw/zinc/55/66/66/627556666.db2.gz HSHABHOMDALFDV-DOTOQJQBSA-N 1 1 290.451 3.314 20 10 CGCDMO CCN1CC[C@@H]([N@@H+](C)Cc2cc(C)c(C)cc2O)C[C@@H]1C ZINC000769469926 627556669 /nfs/dbraw/zinc/55/66/69/627556669.db2.gz HSHABHOMDALFDV-DOTOQJQBSA-N 1 1 290.451 3.314 20 10 CGCDMO CCN1CC[C@H]([N@H+](C)Cc2cc(C)ccc2O)C[C@H]1C ZINC000769470736 627557319 /nfs/dbraw/zinc/55/73/19/627557319.db2.gz OIFZAEJYEJVRKX-ZBFHGGJFSA-N 1 1 276.424 3.005 20 10 CGCDMO CCN1CC[C@H]([N@@H+](C)Cc2cc(C)ccc2O)C[C@H]1C ZINC000769470736 627557322 /nfs/dbraw/zinc/55/73/22/627557322.db2.gz OIFZAEJYEJVRKX-ZBFHGGJFSA-N 1 1 276.424 3.005 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c1 ZINC000769485177 627559382 /nfs/dbraw/zinc/55/93/82/627559382.db2.gz LPHWCFPLSVWYHF-QGZVFWFLSA-N 1 1 275.392 3.093 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC[C@H](OCC(C)C)C2)c(O)c1 ZINC000770329198 627613845 /nfs/dbraw/zinc/61/38/45/627613845.db2.gz SGNNZYXZUIACEL-INIZCTEOSA-N 1 1 293.407 3.038 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCSC[C@H]2C)cc1 ZINC000773754296 627911108 /nfs/dbraw/zinc/91/11/08/627911108.db2.gz QNLNWYAKRMMPPW-CYBMUJFWSA-N 1 1 264.438 3.080 20 10 CGCDMO CCCC[N@@H+](CCCO)Cc1ccc(N(C)CC)cc1 ZINC000773832326 627917715 /nfs/dbraw/zinc/91/77/15/627917715.db2.gz OWJLMMBMJFNMQI-UHFFFAOYSA-N 1 1 278.440 3.127 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)cc1 ZINC000773888882 627925237 /nfs/dbraw/zinc/92/52/37/627925237.db2.gz RVAYNOSHKBVUNE-MPGHIAIKSA-N 1 1 290.451 3.124 20 10 CGCDMO COc1c(O)c(C[N@H+](C(C)C)C2CCC2)ccc1[N+](=O)[O-] ZINC000774904199 628048465 /nfs/dbraw/zinc/04/84/65/628048465.db2.gz QDVZMUVIXLIWQE-UHFFFAOYSA-N 1 1 294.351 3.072 20 10 CGCDMO COc1c(O)c(C[N@@H+](C(C)C)C2CCC2)ccc1[N+](=O)[O-] ZINC000774904199 628048467 /nfs/dbraw/zinc/04/84/67/628048467.db2.gz QDVZMUVIXLIWQE-UHFFFAOYSA-N 1 1 294.351 3.072 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCOc3ccccc3[C@H]2C)c1 ZINC000775658257 628121199 /nfs/dbraw/zinc/12/11/99/628121199.db2.gz MCZJWKNOAVXDEI-CYBMUJFWSA-N 1 1 299.370 3.356 20 10 CGCDMO CCC[N@@H+](Cc1cc(Cl)cc(C)c1O)CC(C)(C)O ZINC000775676920 628123464 /nfs/dbraw/zinc/12/34/64/628123464.db2.gz BDVGWGDCQBQXGF-UHFFFAOYSA-N 1 1 285.815 3.337 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C[C@H]1F ZINC000777970074 628317637 /nfs/dbraw/zinc/31/76/37/628317637.db2.gz VAHMDRQWQSBIFY-XHDPSFHLSA-N 1 1 263.356 3.061 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](OC(F)F)C2)cc1C ZINC000781150446 628540738 /nfs/dbraw/zinc/54/07/38/628540738.db2.gz DOVKTMQXTNDWDW-ZDUSSCGKSA-N 1 1 285.334 3.213 20 10 CGCDMO CCC[C@@H](C)[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000782192251 628622661 /nfs/dbraw/zinc/62/26/61/628622661.db2.gz AHOFFUYJUJBWRI-OAHLLOKOSA-N 1 1 276.424 3.396 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000805746832 628718756 /nfs/dbraw/zinc/71/87/56/628718756.db2.gz KQSGKXGXFUZMQM-GOSISDBHSA-N 1 1 281.403 3.485 20 10 CGCDMO C[C@H]([NH2+]C[C@H](C)N(C)C)c1cccc(C(F)(F)F)c1O ZINC000788590339 629066758 /nfs/dbraw/zinc/06/67/58/629066758.db2.gz VMCRROFKBQMWOQ-UWVGGRQHSA-N 1 1 290.329 3.012 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000789566943 629145255 /nfs/dbraw/zinc/14/52/55/629145255.db2.gz OZTJOJHOROOKAC-KRWDZBQOSA-N 1 1 275.392 3.012 20 10 CGCDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000789593090 629149632 /nfs/dbraw/zinc/14/96/32/629149632.db2.gz LTRGNMYLKPDLMT-GOSISDBHSA-N 1 1 290.451 3.126 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)c1O ZINC000790934113 629241260 /nfs/dbraw/zinc/24/12/60/629241260.db2.gz DZGPXSWPISAWPG-WFASDCNBSA-N 1 1 297.826 3.479 20 10 CGCDMO Oc1ccccc1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790955254 629242557 /nfs/dbraw/zinc/24/25/57/629242557.db2.gz PGHXFZYHNINFNP-UHFFFAOYSA-N 1 1 281.714 3.180 20 10 CGCDMO Cc1c[nH]c(C[N@@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000862243148 629330350 /nfs/dbraw/zinc/33/03/50/629330350.db2.gz XIVQGOYKDDWASX-UHFFFAOYSA-N 1 1 285.391 3.369 20 10 CGCDMO C[C@@H]1C[C@@H](C)[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792166872 629342741 /nfs/dbraw/zinc/34/27/41/629342741.db2.gz UVEWYSSFBCZNIK-RKDXNWHRSA-N 1 1 257.736 3.415 20 10 CGCDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792166872 629342743 /nfs/dbraw/zinc/34/27/43/629342743.db2.gz UVEWYSSFBCZNIK-RKDXNWHRSA-N 1 1 257.736 3.415 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@H](C)O1 ZINC000862415459 629368052 /nfs/dbraw/zinc/36/80/52/629368052.db2.gz DAJSKEFDNCTYEW-NEPJUHHUSA-N 1 1 298.377 3.030 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@H](C)O1 ZINC000862415459 629368058 /nfs/dbraw/zinc/36/80/58/629368058.db2.gz DAJSKEFDNCTYEW-NEPJUHHUSA-N 1 1 298.377 3.030 20 10 CGCDMO Cc1cc(N(C)C)ccc1Cn1c[nH+]c2c1CCCC2 ZINC000862431578 629371174 /nfs/dbraw/zinc/37/11/74/629371174.db2.gz KVNOYJIDBQSIJR-UHFFFAOYSA-N 1 1 269.392 3.185 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCCC(F)(F)CC2)c(O)c1 ZINC000862465975 629382449 /nfs/dbraw/zinc/38/24/49/629382449.db2.gz ANLIXQWGBKSQLB-UHFFFAOYSA-N 1 1 285.334 3.412 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H](CCF)C2)cc1 ZINC000862530954 629392066 /nfs/dbraw/zinc/39/20/66/629392066.db2.gz VZGFXLMVLPPACU-KRWDZBQOSA-N 1 1 294.414 3.093 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H](CCF)C2)cc1 ZINC000862530954 629392074 /nfs/dbraw/zinc/39/20/74/629392074.db2.gz VZGFXLMVLPPACU-KRWDZBQOSA-N 1 1 294.414 3.093 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccccc1)OCO2 ZINC000014307558 629440525 /nfs/dbraw/zinc/44/05/25/629440525.db2.gz XRRBJUCSYBXSJD-HNNXBMFYSA-N 1 1 297.354 3.458 20 10 CGCDMO CO[C@]1(C)CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000794654197 629564007 /nfs/dbraw/zinc/56/40/07/629564007.db2.gz GQYXHPYCEWWGNJ-GOSISDBHSA-N 1 1 289.419 3.272 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](CC(C)C)C(=O)OC ZINC000795925498 629726693 /nfs/dbraw/zinc/72/66/93/629726693.db2.gz HHMSNYPIBVXYOJ-HNNXBMFYSA-N 1 1 293.407 3.192 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccnc(C)n2)cc1 ZINC000796439224 629781052 /nfs/dbraw/zinc/78/10/52/629781052.db2.gz KTCFQLFOBTZKRQ-UHFFFAOYSA-N 1 1 298.434 3.263 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cccnc1OC)c1ccc(F)cc1O ZINC000796691355 629816178 /nfs/dbraw/zinc/81/61/78/629816178.db2.gz BRJGGCRYZXCZAN-CQSZACIVSA-N 1 1 290.338 3.176 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1ccc(F)cc1O ZINC000796778393 629831879 /nfs/dbraw/zinc/83/18/79/629831879.db2.gz KYZCTUPOBDFTOU-WHOFXGATSA-N 1 1 281.371 3.123 20 10 CGCDMO CC[C@H]([NH2+][C@H]1C[C@H](OC)C1(C)C)c1ccc(F)cc1O ZINC000796794888 629836092 /nfs/dbraw/zinc/83/60/92/629836092.db2.gz XVZGMDNNPACNQH-QEJZJMRPSA-N 1 1 281.371 3.386 20 10 CGCDMO CCCN1CCC[C@H]1C[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000797115075 629890710 /nfs/dbraw/zinc/89/07/10/629890710.db2.gz LTROTAAQAQQYDL-HOCLYGCPSA-N 1 1 294.414 3.446 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC(C)=C[C@H](C)C2)c1O ZINC000797526278 629956968 /nfs/dbraw/zinc/95/69/68/629956968.db2.gz LAIVIGAQIQLHRJ-JTQLQIEISA-N 1 1 277.339 3.132 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2CCC=C(Br)C2)cc1 ZINC000799326158 630167245 /nfs/dbraw/zinc/16/72/45/630167245.db2.gz CAOZNHUPONPUJK-UHFFFAOYSA-N 1 1 295.224 3.237 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC=C(Br)C2)cc1 ZINC000799326158 630167249 /nfs/dbraw/zinc/16/72/49/630167249.db2.gz CAOZNHUPONPUJK-UHFFFAOYSA-N 1 1 295.224 3.237 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c1 ZINC000800858273 630306155 /nfs/dbraw/zinc/30/61/55/630306155.db2.gz LDJXUIXHCGDZBE-OAHLLOKOSA-N 1 1 299.418 3.122 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1C[C@]3(CCCO3)[C@H]1C1CC1)CCC2 ZINC000840094696 630590944 /nfs/dbraw/zinc/59/09/44/630590944.db2.gz MOXCTPACBLZVAD-RTBURBONSA-N 1 1 299.414 3.024 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@](O)(C(F)F)C2)cc1C(C)C ZINC000840114208 630598688 /nfs/dbraw/zinc/59/86/88/630598688.db2.gz HAVPPKOPKZWLRX-INIZCTEOSA-N 1 1 299.361 3.026 20 10 CGCDMO Oc1c(F)cccc1C[NH+]1CCC(c2cccnc2)CC1 ZINC000809738558 630795613 /nfs/dbraw/zinc/79/56/13/630795613.db2.gz ZAILALPGHVGCCF-UHFFFAOYSA-N 1 1 286.350 3.306 20 10 CGCDMO C[N@@H+](Cc1ccc(O)cc1)Cc1c(O)cccc1Cl ZINC000809753405 630800294 /nfs/dbraw/zinc/80/02/94/630800294.db2.gz IBIDBUJVZBBTFJ-UHFFFAOYSA-N 1 1 277.751 3.383 20 10 CGCDMO CCOc1ccc(C[N@@H+](Cc2ccccn2)C2CC2)c(O)c1 ZINC000809763539 630802156 /nfs/dbraw/zinc/80/21/56/630802156.db2.gz OSGCSUHVXZOXLH-UHFFFAOYSA-N 1 1 298.386 3.351 20 10 CGCDMO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815017124 631703291 /nfs/dbraw/zinc/70/32/91/631703291.db2.gz GJZCJFVYBDHYGL-ZBFHGGJFSA-N 1 1 276.424 3.060 20 10 CGCDMO Cc1cc(C[N@@H+](C)[C@H](CO)c2ccccc2)ccc1N(C)C ZINC000815037356 631706518 /nfs/dbraw/zinc/70/65/18/631706518.db2.gz IYTPGHCXERAHBY-LJQANCHMSA-N 1 1 298.430 3.226 20 10 CGCDMO Cc1cc(C[N@@H+](C)C2CCC(CO)CC2)ccc1N(C)C ZINC000815075002 631711826 /nfs/dbraw/zinc/71/18/26/631711826.db2.gz KSXSIDARZYQZFG-UHFFFAOYSA-N 1 1 290.451 3.044 20 10 CGCDMO Cc1cc(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)ccc1N(C)C ZINC000815079643 631713091 /nfs/dbraw/zinc/71/30/91/631713091.db2.gz YEINUFFEFGGCGO-MRXNPFEDSA-N 1 1 284.407 3.121 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)ccc1N(C)C ZINC000815079643 631713094 /nfs/dbraw/zinc/71/30/94/631713094.db2.gz YEINUFFEFGGCGO-MRXNPFEDSA-N 1 1 284.407 3.121 20 10 CGCDMO CO[C@@H](C)CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815573802 631797800 /nfs/dbraw/zinc/79/78/00/631797800.db2.gz UNYDXJXWNPNVLT-VHSXEESVSA-N 1 1 291.313 3.487 20 10 CGCDMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1cc[nH]c(=O)c1 ZINC000815642537 631810303 /nfs/dbraw/zinc/81/03/03/631810303.db2.gz FKRXBIMTCZSZRD-UWVGGRQHSA-N 1 1 276.311 3.044 20 10 CGCDMO C[C@@H]1C[C@@H]([NH2+]CC(C)(F)F)c2c1c(F)ccc2O ZINC000815644506 631812000 /nfs/dbraw/zinc/81/20/00/631812000.db2.gz DASYIDSWYQNQIH-VXNVDRBHSA-N 1 1 259.271 3.324 20 10 CGCDMO [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000816603249 632020691 /nfs/dbraw/zinc/02/06/91/632020691.db2.gz DDWQMLSIVDXXGU-HNNXBMFYSA-N 1 1 299.773 3.187 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000816603249 632020695 /nfs/dbraw/zinc/02/06/95/632020695.db2.gz DDWQMLSIVDXXGU-HNNXBMFYSA-N 1 1 299.773 3.187 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000816603249 632020700 /nfs/dbraw/zinc/02/07/00/632020700.db2.gz DDWQMLSIVDXXGU-HNNXBMFYSA-N 1 1 299.773 3.187 20 10 CGCDMO CC(C)N(C)C[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816615525 632024912 /nfs/dbraw/zinc/02/49/12/632024912.db2.gz YLCIFXIIXZLLNJ-JTQLQIEISA-N 1 1 288.794 3.003 20 10 CGCDMO C[C@H]([NH2+]CCNC1CC1)c1ccc(N2CCCCC2)cc1 ZINC000817953747 632249021 /nfs/dbraw/zinc/24/90/21/632249021.db2.gz QFLGUIMLLUFBAD-HNNXBMFYSA-N 1 1 287.451 3.080 20 10 CGCDMO CC[C@@H]([NH2+]CCC[NH2+]C(C)C)c1cc(Cl)ccc1[O-] ZINC000817953797 632249451 /nfs/dbraw/zinc/24/94/51/632249451.db2.gz RKCDXMQACCRHAQ-CQSZACIVSA-N 1 1 284.831 3.474 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)c1cccc(Cl)c1[O-] ZINC000817959143 632255340 /nfs/dbraw/zinc/25/53/40/632255340.db2.gz PTGIKGJOUMINGN-SMDDNHRTSA-N 1 1 284.831 3.460 20 10 CGCDMO C[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)c2c1c(F)ccc2[O-] ZINC000817965242 632259973 /nfs/dbraw/zinc/25/99/73/632259973.db2.gz RPWANHKEJQLNRL-DGCLKSJQSA-N 1 1 292.398 3.059 20 10 CGCDMO C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817966608 632261438 /nfs/dbraw/zinc/26/14/38/632261438.db2.gz RFKXMEJWTOXJRK-NHYWBVRUSA-N 1 1 282.815 3.086 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1[O-] ZINC000817970040 632263067 /nfs/dbraw/zinc/26/30/67/632263067.db2.gz KDEANRYIABAROU-DRZSPHRISA-N 1 1 282.815 3.275 20 10 CGCDMO C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cc(Cl)ccc1[O-] ZINC000817980336 632270651 /nfs/dbraw/zinc/27/06/51/632270651.db2.gz KWLGRQDUGIQQOC-AAEUAGOBSA-N 1 1 282.815 3.228 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(Cl)cc1O ZINC000818358748 632314585 /nfs/dbraw/zinc/31/45/85/632314585.db2.gz FZKGNZFQLBUZBL-MWGHHZFTSA-N 1 1 251.757 3.495 20 10 CGCDMO CCN(C)c1ccc([C@H](C)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000818615445 632341427 /nfs/dbraw/zinc/34/14/27/632341427.db2.gz PBGZCXHCYIFSNO-IAOVAPTHSA-N 1 1 275.440 3.063 20 10 CGCDMO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000818615445 632341432 /nfs/dbraw/zinc/34/14/32/632341432.db2.gz PBGZCXHCYIFSNO-IAOVAPTHSA-N 1 1 275.440 3.063 20 10 CGCDMO CC(C)CO[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000120891025 632997434 /nfs/dbraw/zinc/99/74/34/632997434.db2.gz WRELWQNSBZUSGF-KRWDZBQOSA-N 1 1 289.419 3.128 20 10 CGCDMO C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cc(F)cc(F)c1O ZINC000866501184 633161880 /nfs/dbraw/zinc/16/18/80/633161880.db2.gz YTVNNMRPCIIVKO-VCPWFBHLSA-N 1 1 281.224 3.272 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)c1ccnn1C)c1ccc(F)cc1O ZINC000866615964 633215418 /nfs/dbraw/zinc/21/54/18/633215418.db2.gz YAHFZOMRMNWTSS-GWCFXTLKSA-N 1 1 277.343 3.067 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000876559536 634858088 /nfs/dbraw/zinc/85/80/88/634858088.db2.gz BXXSOMRXZSQBMC-SFHVURJKSA-N 1 1 283.371 3.274 20 10 CGCDMO COc1cc(C[N@@H+](C)Cc2ccc(C)cc2O)ccc1O ZINC000876559957 634858256 /nfs/dbraw/zinc/85/82/56/634858256.db2.gz ALMKWXIXZYTVJP-UHFFFAOYSA-N 1 1 287.359 3.047 20 10 CGCDMO COC[C@@]1(C)CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000824583819 633262375 /nfs/dbraw/zinc/26/23/75/633262375.db2.gz RKKCDTCFCKOKFA-AWEZNQCLSA-N 1 1 287.762 3.043 20 10 CGCDMO COC[C@@]1(C)CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000824583819 633262378 /nfs/dbraw/zinc/26/23/78/633262378.db2.gz RKKCDTCFCKOKFA-AWEZNQCLSA-N 1 1 287.762 3.043 20 10 CGCDMO CC(C)CC[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876572674 634859746 /nfs/dbraw/zinc/85/97/46/634859746.db2.gz OZLYWKSPYMARQB-UHFFFAOYSA-N 1 1 290.451 3.126 20 10 CGCDMO CO[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@@H]1C ZINC000824820247 633295875 /nfs/dbraw/zinc/29/58/75/633295875.db2.gz BXDNWWGNODCJBE-LKFCYVNXSA-N 1 1 287.762 3.042 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@@H]1C ZINC000824820247 633295877 /nfs/dbraw/zinc/29/58/77/633295877.db2.gz BXDNWWGNODCJBE-LKFCYVNXSA-N 1 1 287.762 3.042 20 10 CGCDMO CO[C@@H]([C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000825098251 633327527 /nfs/dbraw/zinc/32/75/27/633327527.db2.gz DZZLFQAWEFWHJK-RTHLEPHNSA-N 1 1 287.762 3.088 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@]3(CCSC3)C2)c1 ZINC000825215051 633336331 /nfs/dbraw/zinc/33/63/31/633336331.db2.gz DXQRFCALEQSLSE-INIZCTEOSA-N 1 1 277.433 3.420 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H](F)C2)cc1Cl ZINC000826142371 633407985 /nfs/dbraw/zinc/40/79/85/633407985.db2.gz AJBBGXVJGYUFRT-NSHDSACASA-N 1 1 257.736 3.288 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](F)C2)cc1Cl ZINC000826142371 633407987 /nfs/dbraw/zinc/40/79/87/633407987.db2.gz AJBBGXVJGYUFRT-NSHDSACASA-N 1 1 257.736 3.288 20 10 CGCDMO CC(C)(F)CC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000827189635 633469116 /nfs/dbraw/zinc/46/91/16/633469116.db2.gz LILGEUJJJBGJRM-UHFFFAOYSA-N 1 1 263.715 3.413 20 10 CGCDMO Cc1cc(C[N@H+]2CCOC[C@@H]2C)ccc1N1CCCCC1 ZINC000827400933 633489416 /nfs/dbraw/zinc/48/94/16/633489416.db2.gz VCUWNJDYVARTBE-INIZCTEOSA-N 1 1 288.435 3.206 20 10 CGCDMO Cc1cc(C[N@@H+]2CCOC[C@@H]2C)ccc1N1CCCCC1 ZINC000827400933 633489422 /nfs/dbraw/zinc/48/94/22/633489422.db2.gz VCUWNJDYVARTBE-INIZCTEOSA-N 1 1 288.435 3.206 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000827626830 633504117 /nfs/dbraw/zinc/50/41/17/633504117.db2.gz GEUUYGKRFBGDCE-CQSZACIVSA-N 1 1 275.392 3.413 20 10 CGCDMO Oc1c(C[N@H+]2CCCc3n[nH]cc3C2)ccc2ccccc21 ZINC000828008436 633547978 /nfs/dbraw/zinc/54/79/78/633547978.db2.gz CKLOJYAEHLYBKW-UHFFFAOYSA-N 1 1 293.370 3.217 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2C[C@H](C)OC3(CCC3)C2)cc1 ZINC000830740375 633882739 /nfs/dbraw/zinc/88/27/39/633882739.db2.gz SITXUBWTWRFFMK-HNNXBMFYSA-N 1 1 288.435 3.286 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(O)c1F ZINC000872030655 633949095 /nfs/dbraw/zinc/94/90/95/633949095.db2.gz IWASMZPXPHXVCV-LLVKDONJSA-N 1 1 287.334 3.317 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](F)C2)cc1 ZINC000846120518 636147238 /nfs/dbraw/zinc/14/72/38/636147238.db2.gz RCKGUYKEJCGPQQ-UYWPIULCSA-N 1 1 262.372 3.200 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H](F)C2)cc1 ZINC000846120518 636147239 /nfs/dbraw/zinc/14/72/39/636147239.db2.gz RCKGUYKEJCGPQQ-UYWPIULCSA-N 1 1 262.372 3.200 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c1O ZINC000846117921 636147542 /nfs/dbraw/zinc/14/75/42/636147542.db2.gz SSVJPSLNMBFBIO-CQSZACIVSA-N 1 1 283.318 3.022 20 10 CGCDMO COC[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000832744112 634090109 /nfs/dbraw/zinc/09/01/09/634090109.db2.gz BPPUFRSXAWWPJH-INIZCTEOSA-N 1 1 290.451 3.310 20 10 CGCDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000832744119 634090558 /nfs/dbraw/zinc/09/05/58/634090558.db2.gz BPPUFRSXAWWPJH-MRXNPFEDSA-N 1 1 290.451 3.310 20 10 CGCDMO CCCn1cc(C[N@@H+](CCC)Cc2ccccc2O)cn1 ZINC000124039824 634103215 /nfs/dbraw/zinc/10/32/15/634103215.db2.gz QRFRLDWRXKWVGO-UHFFFAOYSA-N 1 1 287.407 3.411 20 10 CGCDMO Oc1ccccc1C[N@H+](Cc1csnn1)C1CCCC1 ZINC000124087540 634146097 /nfs/dbraw/zinc/14/60/97/634146097.db2.gz KLVOTXHIOPCUNG-UHFFFAOYSA-N 1 1 289.404 3.189 20 10 CGCDMO Oc1ccccc1C[N@@H+](Cc1csnn1)C1CCCC1 ZINC000124087540 634146102 /nfs/dbraw/zinc/14/61/02/634146102.db2.gz KLVOTXHIOPCUNG-UHFFFAOYSA-N 1 1 289.404 3.189 20 10 CGCDMO CCCOc1ccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)cc1C ZINC000873060773 634239029 /nfs/dbraw/zinc/23/90/29/634239029.db2.gz MYBUGNYAHSMSLR-WBVHZDCISA-N 1 1 290.451 3.356 20 10 CGCDMO CCCOc1ccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000873060773 634239036 /nfs/dbraw/zinc/23/90/36/634239036.db2.gz MYBUGNYAHSMSLR-WBVHZDCISA-N 1 1 290.451 3.356 20 10 CGCDMO CCCOc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000873060773 634239042 /nfs/dbraw/zinc/23/90/42/634239042.db2.gz MYBUGNYAHSMSLR-WBVHZDCISA-N 1 1 290.451 3.356 20 10 CGCDMO CCC[N@H+](CC)C[C@H](C)N[C@@H]1CCc2cccc(O)c21 ZINC000834807925 634245646 /nfs/dbraw/zinc/24/56/46/634245646.db2.gz UXPKNZVWGMAALX-DZGCQCFKSA-N 1 1 276.424 3.090 20 10 CGCDMO CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CCc2cccc(O)c21 ZINC000834807925 634245647 /nfs/dbraw/zinc/24/56/47/634245647.db2.gz UXPKNZVWGMAALX-DZGCQCFKSA-N 1 1 276.424 3.090 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)[C@@H](C)O ZINC000834889019 634268710 /nfs/dbraw/zinc/26/87/10/634268710.db2.gz TXYDDCICLFQABZ-LNLATYFQSA-N 1 1 291.313 3.221 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)[C@@H](C)O ZINC000834889023 634269035 /nfs/dbraw/zinc/26/90/35/634269035.db2.gz TXYDDCICLFQABZ-SBMIAAHKSA-N 1 1 291.313 3.221 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccc(F)cc1O ZINC000834909538 634284582 /nfs/dbraw/zinc/28/45/82/634284582.db2.gz LNPTVOMKRQVBSC-NWDGAFQWSA-N 1 1 281.371 3.387 20 10 CGCDMO CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000835029647 634326082 /nfs/dbraw/zinc/32/60/82/634326082.db2.gz YLPRQWNCHOBMKZ-FZMUQLTDSA-N 1 1 288.435 3.267 20 10 CGCDMO Cc1ccc(C[N@H+]2CCc3ccsc3C2)c(O)c1 ZINC000876743133 634890807 /nfs/dbraw/zinc/89/08/07/634890807.db2.gz ZWPGSWCCUQFVSV-UHFFFAOYSA-N 1 1 259.374 3.320 20 10 CGCDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2O)C[C@H]1C ZINC000876761187 634894468 /nfs/dbraw/zinc/89/44/68/634894468.db2.gz ZSLXKSYYEGXGCP-GDBMZVCRSA-N 1 1 276.424 3.005 20 10 CGCDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2O)C[C@H]1C ZINC000876761187 634894471 /nfs/dbraw/zinc/89/44/71/634894471.db2.gz ZSLXKSYYEGXGCP-GDBMZVCRSA-N 1 1 276.424 3.005 20 10 CGCDMO CSC[C@@H]1CCC[N@H+]1Cc1ccc(C)cc1O ZINC000876776920 634897521 /nfs/dbraw/zinc/89/75/21/634897521.db2.gz JBYFHWIMYZCGTM-ZDUSSCGKSA-N 1 1 251.395 3.028 20 10 CGCDMO CC[N@@H+](CCc1nccs1)Cc1c(C)cccc1O ZINC000876776529 634898425 /nfs/dbraw/zinc/89/84/25/634898425.db2.gz DAVHULDMSHFTFX-UHFFFAOYSA-N 1 1 276.405 3.222 20 10 CGCDMO Cc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)c(O)c1 ZINC000877087719 634980424 /nfs/dbraw/zinc/98/04/24/634980424.db2.gz QFSFDLOINHMLJC-UHFFFAOYSA-N 1 1 291.420 3.139 20 10 CGCDMO Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c(O)c1 ZINC000877487378 635056199 /nfs/dbraw/zinc/05/61/99/635056199.db2.gz UADAYGMYGADVRP-JQWIXIFHSA-N 1 1 273.298 3.473 20 10 CGCDMO Cc1cc([O-])c(C[NH+]2CCC(C[NH+](C)C)CC2)c(Cl)c1 ZINC000840911253 635081327 /nfs/dbraw/zinc/08/13/27/635081327.db2.gz YZBWPYGAZZTIBU-UHFFFAOYSA-N 1 1 296.842 3.128 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@](C)(O)CC2)c(Cl)c1 ZINC000840941361 635088063 /nfs/dbraw/zinc/08/80/63/635088063.db2.gz VKDDHQHLYNCRNA-HNNXBMFYSA-N 1 1 283.799 3.091 20 10 CGCDMO COC[C@]1(C)CC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840950634 635090264 /nfs/dbraw/zinc/09/02/64/635090264.db2.gz MDIIPUHRGDOPEQ-OAHLLOKOSA-N 1 1 283.799 3.212 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000840952491 635092181 /nfs/dbraw/zinc/09/21/81/635092181.db2.gz BHBXVSIAQNWAAP-ZDUSSCGKSA-N 1 1 296.842 3.176 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000840952491 635092184 /nfs/dbraw/zinc/09/21/84/635092184.db2.gz BHBXVSIAQNWAAP-ZDUSSCGKSA-N 1 1 296.842 3.176 20 10 CGCDMO CC(C)OCC(C)(C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000840974176 635097994 /nfs/dbraw/zinc/09/79/94/635097994.db2.gz YZLGVGSVLVHKTD-UHFFFAOYSA-N 1 1 289.778 3.478 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000877653287 635132343 /nfs/dbraw/zinc/13/23/43/635132343.db2.gz FSXSNMBAHOIZAY-LJQANCHMSA-N 1 1 297.398 3.184 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c1O ZINC000841690116 635212619 /nfs/dbraw/zinc/21/26/19/635212619.db2.gz MBGCKHCKOMFNHT-XQQFMLRXSA-N 1 1 263.381 3.186 20 10 CGCDMO Cc1csc([C@H]2CC[N@@H+](Cc3ccccc3O)C2)n1 ZINC000877812970 635218635 /nfs/dbraw/zinc/21/86/35/635218635.db2.gz HEBMWRHMCVDCDY-ZDUSSCGKSA-N 1 1 274.389 3.147 20 10 CGCDMO Cc1csc([C@@H]2CC[N@@H+](Cc3cc(C)ccc3O)C2)n1 ZINC000877812959 635218763 /nfs/dbraw/zinc/21/87/63/635218763.db2.gz GYLOYFQGKNYDDB-CYBMUJFWSA-N 1 1 288.416 3.455 20 10 CGCDMO CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841744611 635221623 /nfs/dbraw/zinc/22/16/23/635221623.db2.gz JGMKXRJWXRLLHE-CHWSQXEVSA-N 1 1 296.842 3.428 20 10 CGCDMO Cc1cc(C[N@@H+]2CCC[C@H]2c2ncccn2)ccc1N(C)C ZINC000878977367 635670266 /nfs/dbraw/zinc/67/02/66/635670266.db2.gz LAOVSLFILQLVLF-KRWDZBQOSA-N 1 1 296.418 3.188 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@H]2c2ncccn2)ccc1N(C)C ZINC000878977367 635670273 /nfs/dbraw/zinc/67/02/73/635670273.db2.gz LAOVSLFILQLVLF-KRWDZBQOSA-N 1 1 296.418 3.188 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CC2(CCC2)O1 ZINC000843435130 635675782 /nfs/dbraw/zinc/67/57/82/635675782.db2.gz IGCSEKIWBXSQLN-NSHDSACASA-N 1 1 281.783 3.189 20 10 CGCDMO CC(C)c1noc([C@@H](C)[NH2+][C@H](C)c2ccccc2O)n1 ZINC000879649685 635826384 /nfs/dbraw/zinc/82/63/84/635826384.db2.gz SLGBQFWZPLLJMY-GHMZBOCLSA-N 1 1 275.352 3.310 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC(C)(C)OC[C@@H]2CC)c1 ZINC000846027510 636131852 /nfs/dbraw/zinc/13/18/52/636131852.db2.gz MYBMSUJSIIEEGC-AWEZNQCLSA-N 1 1 293.407 3.180 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846116702 636146576 /nfs/dbraw/zinc/14/65/76/636146576.db2.gz IMQOWXWOATUVJA-HNNXBMFYSA-N 1 1 280.362 3.292 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1F ZINC000846116795 636146657 /nfs/dbraw/zinc/14/66/57/636146657.db2.gz JVXFAGVXCSPWCT-AWEZNQCLSA-N 1 1 284.325 3.123 20 10 CGCDMO CCC[N@H+](CC)C[C@@H](C)N[C@H](C)c1cccc(OC)c1O ZINC000846170474 636153212 /nfs/dbraw/zinc/15/32/12/636153212.db2.gz LJDYDIXWUFNVNO-ZIAGYGMSSA-N 1 1 294.439 3.172 20 10 CGCDMO CCC[N@@H+](CC)C[C@@H](C)N[C@H](C)c1cccc(OC)c1O ZINC000846170474 636153215 /nfs/dbraw/zinc/15/32/15/636153215.db2.gz LJDYDIXWUFNVNO-ZIAGYGMSSA-N 1 1 294.439 3.172 20 10 CGCDMO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)CCO1 ZINC000883078719 636531762 /nfs/dbraw/zinc/53/17/62/636531762.db2.gz AVFFDNUOOWGJAL-OCCSQVGLSA-N 1 1 299.361 3.354 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]CC1CCC(F)CC1 ZINC000883154475 636558773 /nfs/dbraw/zinc/55/87/73/636558773.db2.gz KBAITEOUYGQGNR-UHFFFAOYSA-N 1 1 273.298 3.288 20 10 CGCDMO Cc1ccc(O)c([C@H](C)[NH2+]C2(c3ncccn3)CCC2)c1 ZINC000883312304 636662078 /nfs/dbraw/zinc/66/20/78/636662078.db2.gz ZKYDYPOUYQZQQN-ZDUSSCGKSA-N 1 1 283.375 3.221 20 10 CGCDMO CCc1cccc(C[N@H+]2CCn3cccc3[C@H]2C)c1O ZINC000848877491 636669579 /nfs/dbraw/zinc/66/95/79/636669579.db2.gz SFFLTPNAFLZCKG-CYBMUJFWSA-N 1 1 270.376 3.333 20 10 CGCDMO CCc1cccc(CN2CC[C@H](C[NH+](CC)CC)C2)c1O ZINC000848888210 636676157 /nfs/dbraw/zinc/67/61/57/636676157.db2.gz OWIPVJCZKUIRDB-OAHLLOKOSA-N 1 1 290.451 3.118 20 10 CGCDMO CCc1cccc(C[N@@H+](C)CCCSC)c1O ZINC000848909108 636686683 /nfs/dbraw/zinc/68/66/83/636686683.db2.gz LDXWIUBCCXFUHG-UHFFFAOYSA-N 1 1 253.411 3.140 20 10 CGCDMO CCC[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000848924050 636695799 /nfs/dbraw/zinc/69/57/99/636695799.db2.gz VTHYRKNVTJRWFH-UHFFFAOYSA-N 1 1 294.414 3.283 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@H](OC3CCC3)C2)c1O ZINC000848925119 636698129 /nfs/dbraw/zinc/69/81/29/636698129.db2.gz OCWPJMIDCJQMBL-KRWDZBQOSA-N 1 1 289.419 3.488 20 10 CGCDMO CCCC[N@@H+](CC)Cc1cccc(OCC)c1O ZINC000131665321 636715585 /nfs/dbraw/zinc/71/55/85/636715585.db2.gz RHMVDVBGKDAURD-UHFFFAOYSA-N 1 1 251.370 3.413 20 10 CGCDMO C[C@H]([NH2+]CC1(O)CCC(C)CC1)c1ccc(F)cc1O ZINC000087044097 636788961 /nfs/dbraw/zinc/78/89/61/636788961.db2.gz FFEWNQNGIRVKGW-BGMSHATGSA-N 1 1 281.371 3.123 20 10 CGCDMO C[C@H]1C[NH+](Cc2cccc(Br)c2O)C[C@@H]1C ZINC000132754743 636835299 /nfs/dbraw/zinc/83/52/99/636835299.db2.gz FGHPRFFTCNSTON-UWVGGRQHSA-N 1 1 284.197 3.243 20 10 CGCDMO C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CC(C)(C)O1 ZINC000133112245 636874371 /nfs/dbraw/zinc/87/43/71/636874371.db2.gz SIJGVYLRUFIASH-JTQLQIEISA-N 1 1 269.772 3.045 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CC(C)(C)O1 ZINC000133112245 636874376 /nfs/dbraw/zinc/87/43/76/636874376.db2.gz SIJGVYLRUFIASH-JTQLQIEISA-N 1 1 269.772 3.045 20 10 CGCDMO CC[C@H](COCC1CC1)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000850494578 637090303 /nfs/dbraw/zinc/09/03/03/637090303.db2.gz QMDGWOUYWQXGLL-BXUZGUMPSA-N 1 1 281.371 3.387 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1ccc(F)cc1O ZINC000850552556 637119065 /nfs/dbraw/zinc/11/90/65/637119065.db2.gz NVRLWXRICPDCKO-UFBFGSQYSA-N 1 1 273.298 3.473 20 10 CGCDMO C[C@H]([NH2+]Cc1cccc(N(C)C)c1)c1c(O)cccc1F ZINC000886523249 637550396 /nfs/dbraw/zinc/55/03/96/637550396.db2.gz ZHDJQDVZMFCELJ-LBPRGKRZSA-N 1 1 288.366 3.448 20 10 CGCDMO Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886526257 637553819 /nfs/dbraw/zinc/55/38/19/637553819.db2.gz IFJDZEUSXNTFOY-LRDDRELGSA-N 1 1 289.350 3.224 20 10 CGCDMO Cc1nc(CC[NH2+][C@@H](C)c2c(O)cccc2F)sc1C ZINC000886540417 637564803 /nfs/dbraw/zinc/56/48/03/637564803.db2.gz DUUMDZCYOIKRSI-JTQLQIEISA-N 1 1 294.395 3.498 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1c(O)cccc1F ZINC000886552363 637578138 /nfs/dbraw/zinc/57/81/38/637578138.db2.gz ZWTLWKNRYJQPPH-VXGBXAGGSA-N 1 1 279.355 3.284 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1c(O)cccc1F ZINC000886555687 637579045 /nfs/dbraw/zinc/57/90/45/637579045.db2.gz YVPXSDFSZGAXDD-WDEREUQCSA-N 1 1 267.344 3.140 20 10 CGCDMO C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1c(O)cccc1F ZINC000886587746 637593119 /nfs/dbraw/zinc/59/31/19/637593119.db2.gz DYSFFVSWAZUJDC-FRRDWIJNSA-N 1 1 281.371 3.387 20 10 CGCDMO COC1CCC([NH2+][C@H](C)c2c(O)cccc2F)CC1 ZINC000886623447 637614776 /nfs/dbraw/zinc/61/47/76/637614776.db2.gz DKGBFRQQNLTIJJ-VOMCLLRMSA-N 1 1 267.344 3.140 20 10 CGCDMO CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)c1c(O)cccc1F)C1CC1 ZINC000886625621 637615958 /nfs/dbraw/zinc/61/59/58/637615958.db2.gz WAUAGUGRDJCGSQ-USBNGQNGSA-N 1 1 281.371 3.386 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1c(O)cccc1F ZINC000886649589 637630322 /nfs/dbraw/zinc/63/03/22/637630322.db2.gz DRNMDCNONDBXLL-JUFZMCDQSA-N 1 1 279.355 3.140 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)CO)cc1 ZINC000852427052 637651600 /nfs/dbraw/zinc/65/16/00/637651600.db2.gz ZOYSTPWAXTWJQX-CRAIPNDOSA-N 1 1 290.451 3.126 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC3(CCC3)OC[C@H]2C)cc1 ZINC000852444057 637652850 /nfs/dbraw/zinc/65/28/50/637652850.db2.gz NONSSGMHBDODKH-OAHLLOKOSA-N 1 1 288.435 3.286 20 10 CGCDMO C[C@]12COC[C@@H]1C[N@@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000853565976 637867531 /nfs/dbraw/zinc/86/75/31/637867531.db2.gz LGJMPWCOBGGRNS-KSSFIOAISA-N 1 1 283.371 3.014 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](CCF)C2)c1O ZINC000853564895 637867554 /nfs/dbraw/zinc/86/75/54/637867554.db2.gz WBBNZKZTHLTLOQ-ZDUSSCGKSA-N 1 1 281.371 3.281 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000853584768 637870643 /nfs/dbraw/zinc/87/06/43/637870643.db2.gz BMBKLPTXOVADMU-GJZGRUSLSA-N 1 1 283.371 3.014 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)cc1C ZINC000853629834 637876601 /nfs/dbraw/zinc/87/66/01/637876601.db2.gz LSOCYTTUQIJMBQ-BLLLJJGKSA-N 1 1 299.361 3.254 20 10 CGCDMO Cc1ccc[nH+]c1NCc1cc(F)c(N(C)C)cc1F ZINC000858102140 638628228 /nfs/dbraw/zinc/62/82/28/638628228.db2.gz SLGGHJAWIWKFCT-UHFFFAOYSA-N 1 1 277.318 3.346 20 10 CGCDMO CCC[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)OCC ZINC000858210457 638658092 /nfs/dbraw/zinc/65/80/92/638658092.db2.gz QYHIXABYCFUOQN-JTQLQIEISA-N 1 1 289.778 3.480 20 10 CGCDMO C[C@@H](C[N@@H+](C)Cc1ccccc1O)C(=O)c1ccc(O)cc1 ZINC000929974768 638965705 /nfs/dbraw/zinc/96/57/05/638965705.db2.gz APIMCTOROJTQKI-ZDUSSCGKSA-N 1 1 299.370 3.049 20 10 CGCDMO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000160080357 640087895 /nfs/dbraw/zinc/08/78/95/640087895.db2.gz MTDMBUIJDIUAOR-GJZGRUSLSA-N 1 1 277.456 3.134 20 10 CGCDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000160080357 640087906 /nfs/dbraw/zinc/08/79/06/640087906.db2.gz MTDMBUIJDIUAOR-GJZGRUSLSA-N 1 1 277.456 3.134 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2CC(C)C)cc1OC ZINC000160058303 640088129 /nfs/dbraw/zinc/08/81/29/640088129.db2.gz BZLCWYDBCNJMTO-CQSZACIVSA-N 1 1 293.407 3.420 20 10 CGCDMO CSC[C@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000191127446 640291468 /nfs/dbraw/zinc/29/14/68/640291468.db2.gz OCCAFLBAKSCPEA-ZETCQYMHSA-N 1 1 263.765 3.026 20 10 CGCDMO Cc1ncc(C[N@H+](C)Cc2ccc(N(C)C)cc2)s1 ZINC000193840341 640498188 /nfs/dbraw/zinc/49/81/88/640498188.db2.gz ZEYFTJVYJXQTDX-UHFFFAOYSA-N 1 1 275.421 3.150 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCS[C@H](C)[C@H]2C)c1 ZINC000246084498 640655784 /nfs/dbraw/zinc/65/57/84/640655784.db2.gz CDRRZMIQHFHZDY-CHWSQXEVSA-N 1 1 265.422 3.335 20 10 CGCDMO CCN1CCCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000248528115 640766525 /nfs/dbraw/zinc/76/65/25/640766525.db2.gz VYULYWOTYBZQCU-OCCSQVGLSA-N 1 1 280.387 3.056 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCc3ccc(F)cc3C2)c1 ZINC000093383801 640769105 /nfs/dbraw/zinc/76/91/05/640769105.db2.gz XPBBNJINMMDKBZ-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000093443788 640770793 /nfs/dbraw/zinc/77/07/93/640770793.db2.gz VSZKESLZRWTISU-UHFFFAOYSA-N 1 1 298.342 3.167 20 10 CGCDMO CC(C)[C@H](CN[C@@H](C)c1cc(F)ccc1O)[NH+]1CCCC1 ZINC000094616992 640798352 /nfs/dbraw/zinc/79/83/52/640798352.db2.gz IBENWGNNOZDNBN-BBRMVZONSA-N 1 1 294.414 3.302 20 10 CGCDMO C[C@H]1CCC[C@H]([N@@H+](C)Cc2cc3c(cc2O)OCO3)C1 ZINC000025484197 798839242 /nfs/dbraw/zinc/83/92/42/798839242.db2.gz NMSKSZNXZGPKBV-AAEUAGOBSA-N 1 1 277.364 3.131 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@H]2C)c1O ZINC000037322556 798866644 /nfs/dbraw/zinc/86/66/44/798866644.db2.gz RIWLYPNQWWCUBX-SNVBAGLBSA-N 1 1 265.328 3.108 20 10 CGCDMO CC[C@H](CSC)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000091097053 798953182 /nfs/dbraw/zinc/95/31/82/798953182.db2.gz PZJVVUCVOSHBIZ-CYBMUJFWSA-N 1 1 299.411 3.307 20 10 CGCDMO CC[C@H](CSC)[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000091097053 798953190 /nfs/dbraw/zinc/95/31/90/798953190.db2.gz PZJVVUCVOSHBIZ-CYBMUJFWSA-N 1 1 299.411 3.307 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1ccc(F)cc1O ZINC000688885160 799758468 /nfs/dbraw/zinc/75/84/68/799758468.db2.gz SLIVOWDEKXAJLQ-WZRBSPASSA-N 1 1 267.344 3.140 20 10 CGCDMO CCOc1cccc(C[NH2+][C@H](C)c2cscn2)c1O ZINC000697855584 799849354 /nfs/dbraw/zinc/84/93/54/799849354.db2.gz XHSKPQWYYQUNRW-SNVBAGLBSA-N 1 1 278.377 3.098 20 10 CGCDMO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2cscn2)c1O ZINC000697874286 799849373 /nfs/dbraw/zinc/84/93/73/799849373.db2.gz ZFVPHXXFLLAYQC-QMMMGPOBSA-N 1 1 298.795 3.362 20 10 CGCDMO C[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)c1nccs1 ZINC000708550087 799991662 /nfs/dbraw/zinc/99/16/62/799991662.db2.gz WCWRKNDWBQHORI-MRVPVSSYSA-N 1 1 284.331 3.020 20 10 CGCDMO Cc1nc(C[NH2+]Cc2c(O)cccc2Cl)sc1C ZINC000719527460 800241382 /nfs/dbraw/zinc/24/13/82/800241382.db2.gz IQGGRZRZDMACDE-UHFFFAOYSA-N 1 1 282.796 3.409 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)C2CC(C)(C)C2)c1O ZINC000840165191 800495662 /nfs/dbraw/zinc/49/56/62/800495662.db2.gz YVNYSAMJHPFDJX-UHFFFAOYSA-N 1 1 263.381 3.330 20 10 CGCDMO COc1cccc(C[N@@H+](C)[C@H]2CC[C@H](SC)C2)c1O ZINC001116444863 802352131 /nfs/dbraw/zinc/35/21/31/802352131.db2.gz BQQRBINQYHGDIM-STQMWFEESA-N 1 1 281.421 3.117 20 10 CGCDMO FC[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001119440398 802665250 /nfs/dbraw/zinc/66/52/50/802665250.db2.gz JOYYDIBUJCORMK-OAHLLOKOSA-N 1 1 262.372 3.078 20 10 CGCDMO CCCCC[N@@H+](CCCOC)Cc1ccc(N)cc1 ZINC001120268215 802737734 /nfs/dbraw/zinc/73/77/34/802737734.db2.gz CNZKVAIZEHSLRX-UHFFFAOYSA-N 1 1 264.413 3.298 20 10 CGCDMO Oc1cccc(F)c1C[NH+]1CCC(C(F)F)CC1 ZINC001137838728 803780495 /nfs/dbraw/zinc/78/04/95/803780495.db2.gz JEBALJWAUZUJOX-UHFFFAOYSA-N 1 1 259.271 3.008 20 10 CGCDMO Oc1cccc(F)c1C[NH+]1CC(c2ccccc2)C1 ZINC001137838636 803781138 /nfs/dbraw/zinc/78/11/38/803781138.db2.gz DVRKWTLMUDVROE-UHFFFAOYSA-N 1 1 257.308 3.131 20 10 CGCDMO Oc1cccc(F)c1C[NH+]1CCC(c2ccncc2)CC1 ZINC001137837299 803781187 /nfs/dbraw/zinc/78/11/87/803781187.db2.gz AHZABCMWMWKULB-UHFFFAOYSA-N 1 1 286.350 3.306 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C1CCOCC1 ZINC001138214030 803873625 /nfs/dbraw/zinc/87/36/25/803873625.db2.gz NIOWIPALJIQZGP-UHFFFAOYSA-N 1 1 288.435 3.288 20 10 CGCDMO CN1CCCc2cc(C[N@@H+]3CCc4ncsc4C3)ccc21 ZINC001138355759 803901222 /nfs/dbraw/zinc/90/12/22/803901222.db2.gz CAWJPDSPODUMQI-UHFFFAOYSA-N 1 1 299.443 3.084 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CCc4ncsc4C3)ccc21 ZINC001138355759 803901225 /nfs/dbraw/zinc/90/12/25/803901225.db2.gz CAWJPDSPODUMQI-UHFFFAOYSA-N 1 1 299.443 3.084 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CC[C@@]4(CC4(F)F)C3)ccc21 ZINC001138358768 803902237 /nfs/dbraw/zinc/90/22/37/803902237.db2.gz ZLXJAOMDXJHKRM-MRXNPFEDSA-N 1 1 292.373 3.300 20 10 CGCDMO COc1cccc(F)c1C[N@H+]1CCc2cccc(O)c2C1 ZINC001138386665 803913905 /nfs/dbraw/zinc/91/39/05/803913905.db2.gz PGIFPFAEQJCSAC-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2ccc(N(C)C)c(C)c2)cn1 ZINC001139673217 804247594 /nfs/dbraw/zinc/24/75/94/804247594.db2.gz DEWGIVPOYKVUDM-UHFFFAOYSA-N 1 1 283.419 3.396 20 10 CGCDMO CCCC[C@@H]1C[C@H](NCc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC001246309378 804271913 /nfs/dbraw/zinc/27/19/13/804271913.db2.gz KJWYHQXHLUGYPV-IAGOWNOFSA-N 1 1 289.467 3.153 20 10 CGCDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1c(C)ccc(C)c1O ZINC001140182086 804396954 /nfs/dbraw/zinc/39/69/54/804396954.db2.gz IJLVVAGTIRBLEO-HNNXBMFYSA-N 1 1 277.408 3.398 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C2(CC2)C1 ZINC001140342193 804420130 /nfs/dbraw/zinc/42/01/30/804420130.db2.gz WVFQTYYOCWGGOL-JTQLQIEISA-N 1 1 251.757 3.420 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](c3ccncc3)C2)c1 ZINC001140621344 804477093 /nfs/dbraw/zinc/47/70/93/804477093.db2.gz YBNXUWJZKRPBSJ-OAHLLOKOSA-N 1 1 268.360 3.085 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](C)CC(=O)c2ccccc2)c1 ZINC001140623929 804478543 /nfs/dbraw/zinc/47/85/43/804478543.db2.gz XNCDGQCDEKHPGN-UHFFFAOYSA-N 1 1 269.344 3.015 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)CC(=O)c2ccccc2)c1 ZINC001140623929 804478547 /nfs/dbraw/zinc/47/85/47/804478547.db2.gz XNCDGQCDEKHPGN-UHFFFAOYSA-N 1 1 269.344 3.015 20 10 CGCDMO CCC[N@@H+](CCOC)Cc1ccc(N(CC)CC)cc1O ZINC001140851662 804533500 /nfs/dbraw/zinc/53/35/00/804533500.db2.gz NCTWDDNJMBDSAW-UHFFFAOYSA-N 1 1 294.439 3.097 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)C2CCOCC2)c(Cl)c1 ZINC001140921270 804549063 /nfs/dbraw/zinc/54/90/63/804549063.db2.gz ALSLMHHWFZYLEQ-UHFFFAOYSA-N 1 1 282.815 3.017 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)c(Cl)c1 ZINC001140924689 804550917 /nfs/dbraw/zinc/55/09/17/804550917.db2.gz MMAHYAGAZNAMOT-BBRMVZONSA-N 1 1 294.826 3.017 20 10 CGCDMO CC(C)[C@H]1COCC[N@@H+]1Cc1ccc(N(C)C)cc1Cl ZINC001140925725 804551297 /nfs/dbraw/zinc/55/12/97/804551297.db2.gz VGJAFWSVPPERRJ-MRXNPFEDSA-N 1 1 296.842 3.263 20 10 CGCDMO CC(C)[C@H]1COCC[N@H+]1Cc1ccc(N(C)C)cc1Cl ZINC001140925725 804551301 /nfs/dbraw/zinc/55/13/01/804551301.db2.gz VGJAFWSVPPERRJ-MRXNPFEDSA-N 1 1 296.842 3.263 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)c(O)c1 ZINC001140949832 804556034 /nfs/dbraw/zinc/55/60/34/804556034.db2.gz MUSAGHMEDJMTEQ-OAHLLOKOSA-N 1 1 268.360 3.085 20 10 CGCDMO Cc1ccc(C[N@H+](C)CCN(C)Cc2ccccc2)c(O)c1 ZINC001140954491 804559032 /nfs/dbraw/zinc/55/90/32/804559032.db2.gz UMVRSXOVWWNIJY-UHFFFAOYSA-N 1 1 298.430 3.264 20 10 CGCDMO Cc1ccc(CN(C)CC[N@H+](C)Cc2ccccc2)c(O)c1 ZINC001140954491 804559035 /nfs/dbraw/zinc/55/90/35/804559035.db2.gz UMVRSXOVWWNIJY-UHFFFAOYSA-N 1 1 298.430 3.264 20 10 CGCDMO Cc1ccc(CN(C)CC[N@@H+](C)Cc2ccccc2)c(O)c1 ZINC001140954491 804559037 /nfs/dbraw/zinc/55/90/37/804559037.db2.gz UMVRSXOVWWNIJY-UHFFFAOYSA-N 1 1 298.430 3.264 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246860491 804566151 /nfs/dbraw/zinc/56/61/51/804566151.db2.gz IERTWQROUUAUMX-WBVHZDCISA-N 1 1 290.451 3.381 20 10 CGCDMO CC[N@H+](Cc1ccccc1[O-])[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246860491 804566155 /nfs/dbraw/zinc/56/61/55/804566155.db2.gz IERTWQROUUAUMX-WBVHZDCISA-N 1 1 290.451 3.381 20 10 CGCDMO CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246860491 804566162 /nfs/dbraw/zinc/56/61/62/804566162.db2.gz IERTWQROUUAUMX-WBVHZDCISA-N 1 1 290.451 3.381 20 10 CGCDMO CN1CCOc2cc(C[N@H+]3CCC4(CCCC4)C3)ccc21 ZINC001141143330 804596531 /nfs/dbraw/zinc/59/65/31/804596531.db2.gz VBHYYXGGMQLQAK-UHFFFAOYSA-N 1 1 286.419 3.281 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC001142520122 804729913 /nfs/dbraw/zinc/72/99/13/804729913.db2.gz BPRPWTAPKZSSBP-GFCCVEGCSA-N 1 1 290.313 3.055 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC001142520122 804729915 /nfs/dbraw/zinc/72/99/15/804729915.db2.gz BPRPWTAPKZSSBP-GFCCVEGCSA-N 1 1 290.313 3.055 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC001142520752 804730720 /nfs/dbraw/zinc/73/07/20/804730720.db2.gz PCVOCBAABRRYJT-NSHDSACASA-N 1 1 290.313 3.055 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC001142520752 804730723 /nfs/dbraw/zinc/73/07/23/804730723.db2.gz PCVOCBAABRRYJT-NSHDSACASA-N 1 1 290.313 3.055 20 10 CGCDMO CCCOC1C[NH+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143110252 804803271 /nfs/dbraw/zinc/80/32/71/804803271.db2.gz AIFYQWRLEPBKGZ-UHFFFAOYSA-N 1 1 277.408 3.301 20 10 CGCDMO C[N@H+](Cc1nc(C2CC2)cs1)Cc1ccccc1O ZINC001249530144 805169184 /nfs/dbraw/zinc/16/91/84/805169184.db2.gz ZNUFCECIXNVYPE-UHFFFAOYSA-N 1 1 274.389 3.358 20 10 CGCDMO C[N@@H+](Cc1nc(C2CC2)cs1)Cc1ccccc1O ZINC001249530144 805169188 /nfs/dbraw/zinc/16/91/88/805169188.db2.gz ZNUFCECIXNVYPE-UHFFFAOYSA-N 1 1 274.389 3.358 20 10 CGCDMO CCC[N@@H+](C)Cc1cc(C)c(Br)cc1O ZINC001250116454 805425164 /nfs/dbraw/zinc/42/51/64/805425164.db2.gz DLUGFTWHYFJITM-UHFFFAOYSA-N 1 1 272.186 3.305 20 10 CGCDMO C[C@H](CC1CC1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001258462407 807465409 /nfs/dbraw/zinc/46/54/09/807465409.db2.gz JKLIDBCYYZYJBK-OAHLLOKOSA-N 1 1 288.435 3.144 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCc3ncncc3C2)cc1C(C)C ZINC001262054283 807814838 /nfs/dbraw/zinc/81/48/38/807814838.db2.gz AZUOERBCVVVDRY-UHFFFAOYSA-N 1 1 297.402 3.172 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCc3ncncc3C2)cc1C(C)C ZINC001262054283 807814845 /nfs/dbraw/zinc/81/48/45/807814845.db2.gz AZUOERBCVVVDRY-UHFFFAOYSA-N 1 1 297.402 3.172 20 10 CGCDMO Oc1cccc2c1C[N@H+]([C@H]1Cc3cccc(F)c3C1)CC2 ZINC001171807384 808146151 /nfs/dbraw/zinc/14/61/51/808146151.db2.gz UAWFLOBPWAGOCB-AWEZNQCLSA-N 1 1 283.346 3.057 20 10 CGCDMO CC[C@H]1CC[C@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001173291375 808590968 /nfs/dbraw/zinc/59/09/68/808590968.db2.gz AVIFSQSZVAHYAW-WFASDCNBSA-N 1 1 275.392 3.425 20 10 CGCDMO CC[C@@H]1CC[C@@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001173291370 808591320 /nfs/dbraw/zinc/59/13/20/808591320.db2.gz AVIFSQSZVAHYAW-IUODEOHRSA-N 1 1 275.392 3.425 20 10 CGCDMO C[NH2+][C@@]12CC[C@@](NCc3ccc(OC)c(C)c3)(C1)CCC2 ZINC001275823201 808969092 /nfs/dbraw/zinc/96/90/92/808969092.db2.gz YWRPNOJGBZNAJN-ZWKOTPCHSA-N 1 1 288.435 3.158 20 10 CGCDMO COc1ccc(N2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c(C)c1 ZINC001277019245 809054653 /nfs/dbraw/zinc/05/46/53/809054653.db2.gz XOUOKUFPMJDFOW-GOSISDBHSA-N 1 1 288.435 3.316 20 10 CGCDMO C[C@@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CC(C)(C)O1 ZINC001180039094 809968526 /nfs/dbraw/zinc/96/85/26/809968526.db2.gz LHKHVBGYPRNPRB-LQYUOIDQSA-N 1 1 288.435 3.265 20 10 CGCDMO Cc1ccc(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)nn1 ZINC001181554923 810059335 /nfs/dbraw/zinc/05/93/35/810059335.db2.gz HMGWTUCHVWFWCV-UHFFFAOYSA-N 1 1 296.418 3.017 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC001183920165 810169759 /nfs/dbraw/zinc/16/97/59/810169759.db2.gz VWYYETJJLHRDCR-KBPBESRZSA-N 1 1 271.335 3.425 20 10 CGCDMO C[N@@H+](Cc1cccc(=O)[nH]1)Cc1ccc2ccccc2c1O ZINC001183971504 810172733 /nfs/dbraw/zinc/17/27/33/810172733.db2.gz HQJOYJBJPJBGGG-UHFFFAOYSA-N 1 1 294.354 3.278 20 10 CGCDMO CSCCC[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001201689939 811938012 /nfs/dbraw/zinc/93/80/12/811938012.db2.gz OBHXNDQROAEFAD-UHFFFAOYSA-N 1 1 278.465 3.472 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](F)CC1 ZINC001203651813 812414881 /nfs/dbraw/zinc/41/48/81/812414881.db2.gz XJGSZSQGRMUJHX-LBPRGKRZSA-N 1 1 257.736 3.370 20 10 CGCDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)ccc1O ZINC001203664458 812422422 /nfs/dbraw/zinc/42/24/22/812422422.db2.gz FTIWDXQTYPMTND-PBWFPOADSA-N 1 1 281.783 3.187 20 10 CGCDMO Oc1cc2c(cc1O)C[N@H+](Cc1cccc(F)c1)CCC2 ZINC001203788870 812463183 /nfs/dbraw/zinc/46/31/83/812463183.db2.gz FLZXOCFIXBIUJF-UHFFFAOYSA-N 1 1 287.334 3.185 20 10 CGCDMO Oc1cc2c(cc1O)C[N@@H+](Cc1cccc(F)c1)CCC2 ZINC001203788870 812463186 /nfs/dbraw/zinc/46/31/86/812463186.db2.gz FLZXOCFIXBIUJF-UHFFFAOYSA-N 1 1 287.334 3.185 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC001203871333 812477017 /nfs/dbraw/zinc/47/70/17/812477017.db2.gz GMQQRIJDMRXLGX-YGRLFVJLSA-N 1 1 299.773 3.232 20 10 CGCDMO Cc1cccc(CC[N@H+](C)Cc2ccc(O)c(O)c2)c1 ZINC001203882680 812479472 /nfs/dbraw/zinc/47/94/72/812479472.db2.gz QIBCZMXQOOKWOG-UHFFFAOYSA-N 1 1 271.360 3.081 20 10 CGCDMO CN(C)c1ccc(C[N@H+](C)Cc2cnc(Cl)s2)cc1 ZINC001203929528 812495009 /nfs/dbraw/zinc/49/50/09/812495009.db2.gz FJFLJJPSVWBGEP-UHFFFAOYSA-N 1 1 295.839 3.495 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cnc(Cl)s2)cc1 ZINC001203929528 812495014 /nfs/dbraw/zinc/49/50/14/812495014.db2.gz FJFLJJPSVWBGEP-UHFFFAOYSA-N 1 1 295.839 3.495 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](CCCO)C(C)C)cc1 ZINC001203939779 812497695 /nfs/dbraw/zinc/49/76/95/812497695.db2.gz VIFPYSFWESONAW-UHFFFAOYSA-N 1 1 278.440 3.126 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@H](C(C)C)C2)cc1 ZINC001203941919 812498023 /nfs/dbraw/zinc/49/80/23/812498023.db2.gz GXHSMXPMTLAOIU-SFHVURJKSA-N 1 1 290.451 3.390 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1 ZINC001203939387 812498038 /nfs/dbraw/zinc/49/80/38/812498038.db2.gz ARCTYHAXCWXUNE-BHYGNILZSA-N 1 1 276.399 3.323 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](C)[C@@H](O)CC2)cc1 ZINC001203937189 812498088 /nfs/dbraw/zinc/49/80/88/812498088.db2.gz QZPHEHYMHMYQCE-YJBOKZPZSA-N 1 1 290.451 3.126 20 10 CGCDMO C[C@@H]1CC[C@H](C)[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001204163724 812559860 /nfs/dbraw/zinc/55/98/60/812559860.db2.gz SWSLGPWJMZHQQB-ZJUUUORDSA-N 1 1 255.308 3.291 20 10 CGCDMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001204163724 812559863 /nfs/dbraw/zinc/55/98/63/812559863.db2.gz SWSLGPWJMZHQQB-ZJUUUORDSA-N 1 1 255.308 3.291 20 10 CGCDMO Cc1ccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)cc1 ZINC001204174239 812565042 /nfs/dbraw/zinc/56/50/42/812565042.db2.gz LDVKIOSHFBFEBB-UHFFFAOYSA-N 1 1 283.371 3.355 20 10 CGCDMO C[C@H]1C[C@H](O)CC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204241814 812583502 /nfs/dbraw/zinc/58/35/02/812583502.db2.gz JAFRXSHWJXSZHN-GOEBONIOSA-N 1 1 298.430 3.251 20 10 CGCDMO COC[C@H]1CC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204240644 812583544 /nfs/dbraw/zinc/58/35/44/812583544.db2.gz BSSIGDASQXSOBF-OAHLLOKOSA-N 1 1 284.403 3.127 20 10 CGCDMO CC[N@@H+](CCn1ccnc1)Cc1ccc(N2CCCC2)cc1 ZINC001204328963 812614402 /nfs/dbraw/zinc/61/44/02/812614402.db2.gz VUFNKAICCLHDFL-UHFFFAOYSA-N 1 1 298.434 3.005 20 10 CGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001204328595 812614565 /nfs/dbraw/zinc/61/45/65/812614565.db2.gz KETRQZGPAFDFCU-DOTOQJQBSA-N 1 1 256.393 3.271 20 10 CGCDMO C[C@@]1([NH3+])CCC[N@H+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001205288595 812931433 /nfs/dbraw/zinc/93/14/33/812931433.db2.gz LUPYAYYDDOWXDI-GOSISDBHSA-N 1 1 284.403 3.249 20 10 CGCDMO C[C@@]1([NH3+])CCC[N@@H+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001205288595 812931438 /nfs/dbraw/zinc/93/14/38/812931438.db2.gz LUPYAYYDDOWXDI-GOSISDBHSA-N 1 1 284.403 3.249 20 10 CGCDMO C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC001205913898 813131746 /nfs/dbraw/zinc/13/17/46/813131746.db2.gz KLYXUCPOSNTVOB-ZFWWWQNUSA-N 1 1 284.403 3.105 20 10 CGCDMO C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC001205913898 813131750 /nfs/dbraw/zinc/13/17/50/813131750.db2.gz KLYXUCPOSNTVOB-ZFWWWQNUSA-N 1 1 284.403 3.105 20 10 CGCDMO CSCC1(CC[NH2+]Cc2cc(F)c(F)cc2O)CC1 ZINC001206613566 813375531 /nfs/dbraw/zinc/37/55/31/813375531.db2.gz XZKPWSZXNHIIFL-UHFFFAOYSA-N 1 1 287.375 3.293 20 10 CGCDMO CC[C@]1(O)CCC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001207101264 813487658 /nfs/dbraw/zinc/48/76/58/813487658.db2.gz HJOZPZPLQVOVDC-HNNXBMFYSA-N 1 1 283.799 3.091 20 10 CGCDMO CS[C@H](C)CC[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001208150138 813709356 /nfs/dbraw/zinc/70/93/56/813709356.db2.gz PVNRTRFZSPDTLR-CYBMUJFWSA-N 1 1 266.454 3.326 20 10 CGCDMO C[N@@H+]1CC=C(N(c2ccc(N)cc2)c2ccc(N)cc2)CC1 ZINC001208910992 813897450 /nfs/dbraw/zinc/89/74/50/813897450.db2.gz WTHYCWKVRJKIFE-UHFFFAOYSA-N 1 1 294.402 3.209 20 10 CGCDMO C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC001209399852 814014576 /nfs/dbraw/zinc/01/45/76/814014576.db2.gz VBLDWUVODFUFCI-SCAQPMJSSA-N 1 1 290.451 3.388 20 10 CGCDMO COc1c(F)ccc(F)c1C[N@H+](C)Cc1ccccc1O ZINC001231414209 818093557 /nfs/dbraw/zinc/09/35/57/818093557.db2.gz JXGWAAFNEPSKGU-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO COc1c(F)ccc(F)c1C[N@@H+](C)Cc1ccccc1O ZINC001231414209 818093567 /nfs/dbraw/zinc/09/35/67/818093567.db2.gz JXGWAAFNEPSKGU-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO Cc1cc(C)c(C[NH+]2CCN(C3CCCC3)CC2)c(O)c1 ZINC001231846020 818187382 /nfs/dbraw/zinc/18/73/82/818187382.db2.gz XZHGWOBHVAFQEK-UHFFFAOYSA-N 1 1 288.435 3.069 20 10 CGCDMO Cc1cc(C)c(C[N@@H+](C)CCc2cccnc2)c(O)c1 ZINC001231846748 818187858 /nfs/dbraw/zinc/18/78/58/818187858.db2.gz OJYJUSREQMPZQN-UHFFFAOYSA-N 1 1 270.376 3.079 20 10 CGCDMO CC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001231870371 818194399 /nfs/dbraw/zinc/19/43/99/818194399.db2.gz WPSNPXNJNLYXOL-GFCCVEGCSA-N 1 1 281.783 3.155 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1Cl ZINC001231869823 818194650 /nfs/dbraw/zinc/19/46/50/818194650.db2.gz ZWIGDMSIUOHLAD-LRDDRELGSA-N 1 1 295.810 3.355 20 10 CGCDMO CC1(C)COCC[N@H+]1Cc1ccc2ccccc2c1O ZINC001231882708 818201294 /nfs/dbraw/zinc/20/12/94/818201294.db2.gz SGKWGCAIGMNNCQ-UHFFFAOYSA-N 1 1 271.360 3.156 20 10 CGCDMO CN1CCC[C@H]2C[N@@H+](Cc3ccc4ccccc4c3O)C[C@H]21 ZINC001231883554 818202489 /nfs/dbraw/zinc/20/24/89/818202489.db2.gz OXLSRUDHLFYCNR-MAUKXSAKSA-N 1 1 296.414 3.071 20 10 CGCDMO C[C@@H]1CCCC[N@@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232259538 818295720 /nfs/dbraw/zinc/29/57/20/818295720.db2.gz KQUGALXGLHMTAD-SNVBAGLBSA-N 1 1 269.772 3.373 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCc3cccc(O)c3C2)c(C)n1 ZINC001232310064 818310404 /nfs/dbraw/zinc/31/04/04/818310404.db2.gz KELAKLDGYXCFFV-UHFFFAOYSA-N 1 1 298.386 3.053 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1cc(F)ccn1 ZINC001232496871 818372851 /nfs/dbraw/zinc/37/28/51/818372851.db2.gz WYJMGVQUQKPEHZ-UHFFFAOYSA-N 1 1 299.393 3.453 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c(O)c1 ZINC001232840189 818453082 /nfs/dbraw/zinc/45/30/82/818453082.db2.gz OOLGIOPBZWMNAV-CABCVRRESA-N 1 1 288.435 3.470 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H]2c2ccccc2)c(O)c1 ZINC001232840385 818453366 /nfs/dbraw/zinc/45/33/66/818453366.db2.gz VZAFTCQHSUKYOE-KRWDZBQOSA-N 1 1 282.387 3.405 20 10 CGCDMO C[C@H]1CCCCC[N@H+]1Cc1ccc(N(C)C)cc1O ZINC001232839156 818453532 /nfs/dbraw/zinc/45/35/32/818453532.db2.gz MGZPNZLJCXFAAM-ZDUSSCGKSA-N 1 1 262.397 3.223 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)c(O)c1 ZINC001232838511 818453621 /nfs/dbraw/zinc/45/36/21/818453621.db2.gz GSYXZUBEMDTPQS-QGZVFWFLSA-N 1 1 297.402 3.190 20 10 CGCDMO C[NH+](C)CCC[N@@H+](C)Cc1cc(C(C)(C)C)ccc1O ZINC001233283813 818566194 /nfs/dbraw/zinc/56/61/94/818566194.db2.gz XBCFRHBMYVDNLN-UHFFFAOYSA-N 1 1 278.440 3.073 20 10 CGCDMO CN(CCC[NH+](C)C)Cc1cc(C(C)(C)C)ccc1O ZINC001233283813 818566199 /nfs/dbraw/zinc/56/61/99/818566199.db2.gz XBCFRHBMYVDNLN-UHFFFAOYSA-N 1 1 278.440 3.073 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)ccc2O)CCC[C@@H]1O ZINC001233283897 818566757 /nfs/dbraw/zinc/56/67/57/818566757.db2.gz AAJSTIHPAKYYTO-CJNGLKHVSA-N 1 1 291.435 3.283 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)ccc2O)[C@H](C)CO1 ZINC001233287092 818567156 /nfs/dbraw/zinc/56/71/56/818567156.db2.gz WGIZJWLMEGRNBJ-CHWSQXEVSA-N 1 1 277.408 3.299 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001233335446 818587868 /nfs/dbraw/zinc/58/78/68/818587868.db2.gz VQUGOVKTTWSFCO-MRVPVSSYSA-N 1 1 277.261 3.148 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001233335446 818587876 /nfs/dbraw/zinc/58/78/76/818587876.db2.gz VQUGOVKTTWSFCO-MRVPVSSYSA-N 1 1 277.261 3.148 20 10 CGCDMO COc1cc(F)c(C[N@H+](C)Cc2ccccc2O)cc1F ZINC001233344189 818590351 /nfs/dbraw/zinc/59/03/51/818590351.db2.gz SHSYPQKQHRJULP-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO COc1cc(F)c(C[N@@H+](C)Cc2ccccc2O)cc1F ZINC001233344189 818590360 /nfs/dbraw/zinc/59/03/60/818590360.db2.gz SHSYPQKQHRJULP-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO Oc1c(C[N@@H+]2C[C@H]3CC[C@@H]2C3)cccc1C(F)(F)F ZINC001233418710 818615551 /nfs/dbraw/zinc/61/55/51/818615551.db2.gz RXQAUQTVHAFKOG-GXSJLCMTSA-N 1 1 271.282 3.395 20 10 CGCDMO Oc1c(C[N@H+]2C[C@H]3CC[C@@H]2C3)cccc1C(F)(F)F ZINC001233418710 818615555 /nfs/dbraw/zinc/61/55/55/818615555.db2.gz RXQAUQTVHAFKOG-GXSJLCMTSA-N 1 1 271.282 3.395 20 10 CGCDMO Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001235675643 819136788 /nfs/dbraw/zinc/13/67/88/819136788.db2.gz QLDVAEKACPODSU-QGZVFWFLSA-N 1 1 282.387 3.231 20 10 CGCDMO Cc1ccc([C@@]2(C)C[N@@H+](Cc3ccc(N)cc3)CCO2)cc1 ZINC001235947984 819237906 /nfs/dbraw/zinc/23/79/06/819237906.db2.gz JGWBULQPCUEFGX-LJQANCHMSA-N 1 1 296.414 3.325 20 10 CGCDMO CCc1ccc(C[N@H+]2CCC[C@@H]2c2ncccn2)c(O)c1 ZINC001236787882 819595487 /nfs/dbraw/zinc/59/54/87/819595487.db2.gz LUHCSXCXEBJHQT-OAHLLOKOSA-N 1 1 283.375 3.082 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](CF)C2)c(Cl)c1 ZINC001236800585 819599493 /nfs/dbraw/zinc/59/94/93/819599493.db2.gz ABYVUCVXLYWGTC-SNVBAGLBSA-N 1 1 287.762 3.236 20 10 CGCDMO CC[N@@H+](Cc1c(O)cc(OC)cc1Cl)C(C)C ZINC001236802957 819601630 /nfs/dbraw/zinc/60/16/30/819601630.db2.gz KXLKPUIPENGAET-UHFFFAOYSA-N 1 1 257.761 3.285 20 10 CGCDMO COc1cc(O)c(C[N@@H+]2CCC[C@H](OC)CC2)c(Cl)c1 ZINC001236803945 819602929 /nfs/dbraw/zinc/60/29/29/819602929.db2.gz QZHGRXQSLHJIFW-NSHDSACASA-N 1 1 299.798 3.055 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c(O)c1 ZINC001236808709 819603881 /nfs/dbraw/zinc/60/38/81/819603881.db2.gz RIIITRUQZYEKET-KGLIPLIRSA-N 1 1 275.392 3.331 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)C2CCCCC2)c(O)c1 ZINC001236819620 819606494 /nfs/dbraw/zinc/60/64/94/819606494.db2.gz XRUCRRFGXBQPMH-UHFFFAOYSA-N 1 1 263.381 3.474 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)Cc2ccc(C)nc2)c(O)c1 ZINC001236821890 819607633 /nfs/dbraw/zinc/60/76/33/819607633.db2.gz WDZATOAURVVBFA-UHFFFAOYSA-N 1 1 286.375 3.045 20 10 CGCDMO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1cc2ccccc2cc1O ZINC001236830618 819611231 /nfs/dbraw/zinc/61/12/31/819611231.db2.gz BYYPTNDMZAVQDB-INIZCTEOSA-N 1 1 299.370 3.073 20 10 CGCDMO C[N@@H+](Cc1ccno1)Cc1cc2ccccc2cc1O ZINC001236838246 819616671 /nfs/dbraw/zinc/61/66/71/819616671.db2.gz XNQGMTXUDKHUOQ-UHFFFAOYSA-N 1 1 268.316 3.165 20 10 CGCDMO CN(CCC[NH+]1CCCC1)Cc1cc2ccccc2cc1O ZINC001236842902 819618201 /nfs/dbraw/zinc/61/82/01/819618201.db2.gz ZZTMEPYSBOLXAL-UHFFFAOYSA-N 1 1 298.430 3.463 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@@](C)(O)CC2)c(O)c1 ZINC001237046571 819649989 /nfs/dbraw/zinc/64/99/89/819649989.db2.gz UCEFHZIILBQRHM-QGZVFWFLSA-N 1 1 277.408 3.253 20 10 CGCDMO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1ccc(C(C)C)cc1O)C2 ZINC001237047924 819650412 /nfs/dbraw/zinc/65/04/12/819650412.db2.gz AQNXCTAEHOCJOO-RDJZCZTQSA-N 1 1 275.392 3.269 20 10 CGCDMO 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3.133 20 10 CGCDMO CO[C@H](C)c1nc(C[NH2+]Cc2cc(C)ccc2O)cs1 ZINC000267620008 378043582 /nfs/dbraw/zinc/04/35/82/378043582.db2.gz KQLITZYNGSNHEM-LLVKDONJSA-N 1 1 292.404 3.154 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)CCN(C)C)c1ccc(N(C)C)cc1 ZINC000268981137 378165028 /nfs/dbraw/zinc/16/50/28/378165028.db2.gz HSEFTLWBKCTOLC-YOEHRIQHSA-N 1 1 277.456 3.134 20 10 CGCDMO C[N@H+](Cc1cccc(F)c1O)[C@@H](CCO)c1ccccc1 ZINC000272260733 378598677 /nfs/dbraw/zinc/59/86/77/378598677.db2.gz JXPOQPXGUHTSMR-INIZCTEOSA-N 1 1 289.350 3.087 20 10 CGCDMO C[N@@H+](Cc1cccc(F)c1O)[C@@H](CCO)c1ccccc1 ZINC000272260733 378598679 /nfs/dbraw/zinc/59/86/79/378598679.db2.gz JXPOQPXGUHTSMR-INIZCTEOSA-N 1 1 289.350 3.087 20 10 CGCDMO C[C@H]([NH2+]Cc1cccc(N(C)C)c1)c1ccc(F)cc1O ZINC000273361010 378742684 /nfs/dbraw/zinc/74/26/84/378742684.db2.gz AGYPKMVOQHXNNR-LBPRGKRZSA-N 1 1 288.366 3.448 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000375215527 379488016 /nfs/dbraw/zinc/48/80/16/379488016.db2.gz XVAVVRBOUYWFFW-GOSISDBHSA-N 1 1 299.345 3.163 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000375215527 379488027 /nfs/dbraw/zinc/48/80/27/379488027.db2.gz XVAVVRBOUYWFFW-GOSISDBHSA-N 1 1 299.345 3.163 20 10 CGCDMO C[N@@H+](Cc1cnc(C(C)(C)C)nc1)Cc1ccccc1O ZINC000284321176 380138860 /nfs/dbraw/zinc/13/88/60/380138860.db2.gz KBVFXOHHCWRQAI-UHFFFAOYSA-N 1 1 285.391 3.112 20 10 CGCDMO CC[C@H]([NH2+]Cc1cccc(O)c1)c1ccc(F)cc1O ZINC000286331892 380196170 /nfs/dbraw/zinc/19/61/70/380196170.db2.gz XYTZIYXLXFKASC-HNNXBMFYSA-N 1 1 275.323 3.478 20 10 CGCDMO C[C@H]1CCC[N@@H+]1Cc1cc(Br)c(F)cc1O ZINC001144299118 804970566 /nfs/dbraw/zinc/97/05/66/804970566.db2.gz PPGWPFHOVKQLAK-QMMMGPOBSA-N 1 1 288.160 3.278 20 10 CGCDMO C[C@H]1CCC[N@H+]1Cc1cc(Br)c(F)cc1O ZINC001144299118 804970568 /nfs/dbraw/zinc/97/05/68/804970568.db2.gz PPGWPFHOVKQLAK-QMMMGPOBSA-N 1 1 288.160 3.278 20 10 CGCDMO COc1cccc(C[N@H+]2CC3(CCC3)C[C@@H]2C)c1O ZINC000365440867 382287329 /nfs/dbraw/zinc/28/73/29/382287329.db2.gz DZAZKORJEHOWLV-LBPRGKRZSA-N 1 1 261.365 3.165 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1F ZINC000109771928 392372719 /nfs/dbraw/zinc/37/27/19/392372719.db2.gz AHNSIFHDKVGOJJ-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO OCCC[N@@H+](Cc1ccccc1O)[C@@H]1CCc2ccccc21 ZINC000179575004 392704918 /nfs/dbraw/zinc/70/49/18/392704918.db2.gz BMBDRSGCVXPZBB-GOSISDBHSA-N 1 1 297.398 3.264 20 10 CGCDMO C=Cn1cc(C[N@H+](CCC)Cc2ccccc2O)cn1 ZINC000193824152 392886483 /nfs/dbraw/zinc/88/64/83/392886483.db2.gz JUGUYTJXUBMKDL-UHFFFAOYSA-N 1 1 271.364 3.101 20 10 CGCDMO [O-]c1c(F)cccc1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000361070499 393665008 /nfs/dbraw/zinc/66/50/08/393665008.db2.gz WYEQLEKLOCLQFQ-OAHLLOKOSA-N 1 1 287.334 3.185 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000361070499 393665011 /nfs/dbraw/zinc/66/50/11/393665011.db2.gz WYEQLEKLOCLQFQ-OAHLLOKOSA-N 1 1 287.334 3.185 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000361070499 393665013 /nfs/dbraw/zinc/66/50/13/393665013.db2.gz WYEQLEKLOCLQFQ-OAHLLOKOSA-N 1 1 287.334 3.185 20 10 CGCDMO Cc1ccc([C@@H](C)[NH2+]CCCN2CCCCC2)c(O)c1 ZINC000020128884 171016101 /nfs/dbraw/zinc/01/61/01/171016101.db2.gz WIQVOIITGIGPQA-OAHLLOKOSA-N 1 1 276.424 3.227 20 10 CGCDMO Cc1ccc([C@H](C)[NH2+]CCCN2CCC(C)CC2)c(O)c1 ZINC000020146356 171032843 /nfs/dbraw/zinc/03/28/43/171032843.db2.gz WEGQJJVRVNFTAT-INIZCTEOSA-N 1 1 290.451 3.473 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)CCc2nccs2)cc1C ZINC000157150575 261141603 /nfs/dbraw/zinc/14/16/03/261141603.db2.gz ZUTWKBABZAICAX-UHFFFAOYSA-N 1 1 276.405 3.140 20 10 CGCDMO Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185346423 262051756 /nfs/dbraw/zinc/05/17/56/262051756.db2.gz LDTOEPFYCKRJQF-NEPJUHHUSA-N 1 1 291.370 3.023 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCc3cn[nH]c3C2)cc1 ZINC000370663794 267336487 /nfs/dbraw/zinc/33/64/87/267336487.db2.gz YMSOFUDXGSLAIW-CJNGLKHVSA-N 1 1 298.434 3.074 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@H](c3ccco3)C2)c1O ZINC000373224561 267651538 /nfs/dbraw/zinc/65/15/38/267651538.db2.gz VXQRNVZWRMULCD-ZDUSSCGKSA-N 1 1 257.333 3.283 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)cc1 ZINC000377245839 268060166 /nfs/dbraw/zinc/06/01/66/268060166.db2.gz OYRMQUDHPRVVPA-SFHVURJKSA-N 1 1 295.430 3.212 20 10 CGCDMO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Cl)ccc1O ZINC000273394038 290018729 /nfs/dbraw/zinc/01/87/29/290018729.db2.gz LOBQPZHYMOICDF-GLQYFDAESA-N 1 1 294.826 3.323 20 10 CGCDMO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(Cl)ccc1O ZINC000273394038 290018730 /nfs/dbraw/zinc/01/87/30/290018730.db2.gz LOBQPZHYMOICDF-GLQYFDAESA-N 1 1 294.826 3.323 20 10 CGCDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)c(C)cc1O ZINC000091892501 327187058 /nfs/dbraw/zinc/18/70/58/327187058.db2.gz QMVLVZCIJXLTQA-SJORKVTESA-N 1 1 288.435 3.068 20 10 CGCDMO COc1cccc(C[N@@H+](C)CCc2ccc(F)cc2)c1O ZINC000092162073 327189008 /nfs/dbraw/zinc/18/90/08/327189008.db2.gz UIXRKPUEQUCZPB-UHFFFAOYSA-N 1 1 289.350 3.214 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000377835312 329030959 /nfs/dbraw/zinc/03/09/59/329030959.db2.gz SKFGOSHKAYMXNQ-CVEARBPZSA-N 1 1 289.419 3.339 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000378346177 329046957 /nfs/dbraw/zinc/04/69/57/329046957.db2.gz PNTLHEHVVGFQEP-CYBMUJFWSA-N 1 1 257.333 3.283 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ncccc1F ZINC000527826920 330286711 /nfs/dbraw/zinc/28/67/11/330286711.db2.gz XDLQFZNGLHLXEZ-NSHDSACASA-N 1 1 272.323 3.006 20 10 CGCDMO CCCC[N@H+](C)C[C@H](C)N[C@@H](C)c1cc(OC)ccc1O ZINC000289820178 520417355 /nfs/dbraw/zinc/41/73/55/520417355.db2.gz OYLMHUSBDIDCCX-KBPBESRZSA-N 1 1 294.439 3.172 20 10 CGCDMO CCCC[N@@H+](C)C[C@H](C)N[C@@H](C)c1cc(OC)ccc1O ZINC000289820178 520417360 /nfs/dbraw/zinc/41/73/60/520417360.db2.gz OYLMHUSBDIDCCX-KBPBESRZSA-N 1 1 294.439 3.172 20 10 CGCDMO CCC[N@H+](CC)C[C@@H](C)N[C@H](C)c1ccccc1O ZINC000290299924 521611295 /nfs/dbraw/zinc/61/12/95/521611295.db2.gz YRKOTEMBSKPCNS-ZIAGYGMSSA-N 1 1 264.413 3.163 20 10 CGCDMO CCC[N@@H+](CC)C[C@@H](C)N[C@H](C)c1ccccc1O ZINC000290299924 521611298 /nfs/dbraw/zinc/61/12/98/521611298.db2.gz YRKOTEMBSKPCNS-ZIAGYGMSSA-N 1 1 264.413 3.163 20 10 CGCDMO C[N@@H+](Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000071004392 523347691 /nfs/dbraw/zinc/34/76/91/523347691.db2.gz CGTNAWOMPLNMQN-UHFFFAOYSA-N 1 1 296.414 3.155 20 10 CGCDMO Cc1cc(O)c(C[NH2+]C2CCN(C3CCC3)CC2)cc1C ZINC000266186435 525320658 /nfs/dbraw/zinc/32/06/58/525320658.db2.gz HIYSOFRFVVLMHV-UHFFFAOYSA-N 1 1 288.435 3.116 20 10 CGCDMO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cccc(Cl)c1O ZINC000289905110 525701187 /nfs/dbraw/zinc/70/11/87/525701187.db2.gz URCGLLJVKQUDQB-IUODEOHRSA-N 1 1 294.826 3.104 20 10 CGCDMO Oc1c(Cl)cccc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000158032615 526325965 /nfs/dbraw/zinc/32/59/65/526325965.db2.gz HQNOPLOOZLVALI-AWEZNQCLSA-N 1 1 294.826 3.106 20 10 CGCDMO CCN(CC)c1ccc(CNc2[nH+]cnc3[nH]ccc32)cc1 ZINC000726967165 571692356 /nfs/dbraw/zinc/69/23/56/571692356.db2.gz CIYZDJBEPQINDN-UHFFFAOYSA-N 1 1 295.390 3.416 20 10 CGCDMO CC[C@@H]1CCC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000727824426 571771723 /nfs/dbraw/zinc/77/17/23/571771723.db2.gz PFCBZRNTHKCSKQ-CYBMUJFWSA-N 1 1 256.349 3.315 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](n3ccnc3)C2)cc1C ZINC000738150666 572365350 /nfs/dbraw/zinc/36/53/50/572365350.db2.gz XHQSCXSIQSKPGI-MRXNPFEDSA-N 1 1 285.391 3.043 20 10 CGCDMO CC1(C)[C@@H]2C[N@H+](Cc3c(O)ccc4ccncc43)C[C@@H]21 ZINC000742167211 572556676 /nfs/dbraw/zinc/55/66/76/572556676.db2.gz VVRZJMTZUIOPRO-GASCZTMLSA-N 1 1 268.360 3.028 20 10 CGCDMO COC[C@H]1CC[N@@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000739873832 572595636 /nfs/dbraw/zinc/59/56/36/572595636.db2.gz JKPDTYCEVXZPRW-AWEZNQCLSA-N 1 1 291.435 3.466 20 10 CGCDMO Cc1cnc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000750282912 573107603 /nfs/dbraw/zinc/10/76/03/573107603.db2.gz APCXIEPQBZTNJE-UHFFFAOYSA-N 1 1 296.418 3.016 20 10 CGCDMO CC[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000091929872 618369051 /nfs/dbraw/zinc/36/90/51/618369051.db2.gz SQYKBBIKXFCRLH-SNVBAGLBSA-N 1 1 284.197 3.387 20 10 CGCDMO CC[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000091929872 618369062 /nfs/dbraw/zinc/36/90/62/618369062.db2.gz SQYKBBIKXFCRLH-SNVBAGLBSA-N 1 1 284.197 3.387 20 10 CGCDMO CC(C)C[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000307770523 618077802 /nfs/dbraw/zinc/07/78/02/618077802.db2.gz FWKWUBRHKXYYKD-GFCCVEGCSA-N 1 1 251.345 3.399 20 10 CGCDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000187575605 618099296 /nfs/dbraw/zinc/09/92/96/618099296.db2.gz HRVCZHHCSBRBMN-CRAIPNDOSA-N 1 1 288.435 3.144 20 10 CGCDMO CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@@H](C)O1 ZINC000245567653 618166293 /nfs/dbraw/zinc/16/62/93/618166293.db2.gz UPPGBMOENXYHHQ-ZWNOBZJWSA-N 1 1 269.772 3.045 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@@H](C)O1 ZINC000245567653 618166295 /nfs/dbraw/zinc/16/62/95/618166295.db2.gz UPPGBMOENXYHHQ-ZWNOBZJWSA-N 1 1 269.772 3.045 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c(O)c1OC ZINC000891802423 618307088 /nfs/dbraw/zinc/30/70/88/618307088.db2.gz CAYMYKNFBNYONX-JSGCOSHPSA-N 1 1 291.391 3.174 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@H](C)CC2)c(O)c1OC ZINC000891822240 618318636 /nfs/dbraw/zinc/31/86/36/618318636.db2.gz UMWNFXJGDIFXNW-LBPRGKRZSA-N 1 1 279.380 3.031 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)c(O)c1OC ZINC000891861543 618345932 /nfs/dbraw/zinc/34/59/32/618345932.db2.gz HKJAXZBAUWQEPH-NEPJUHHUSA-N 1 1 279.380 3.030 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccc(F)cc1O ZINC000310980200 618882721 /nfs/dbraw/zinc/88/27/21/618882721.db2.gz QVJZWFGRBCOCAH-SCZZXKLOSA-N 1 1 259.271 3.370 20 10 CGCDMO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C)C2)c1O ZINC000162816313 618883253 /nfs/dbraw/zinc/88/32/53/618883253.db2.gz ATPHXFCIQWFCIF-VIFPVBQESA-N 1 1 284.197 3.305 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)c1O ZINC000775663001 619083851 /nfs/dbraw/zinc/08/38/51/619083851.db2.gz YJPOREMLKKWWHP-LLVKDONJSA-N 1 1 283.799 3.353 20 10 CGCDMO C[C@H]([NH2+]C[C@H](C)N1CCC(C)CC1)c1ccc(F)cc1O ZINC000185227329 625324648 /nfs/dbraw/zinc/32/46/48/625324648.db2.gz WTJHTBXBNBEZOR-KBPBESRZSA-N 1 1 294.414 3.302 20 10 CGCDMO C[NH+](C)CC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000317142905 619243517 /nfs/dbraw/zinc/24/35/17/619243517.db2.gz VUGQAZFZOAMZQN-UHFFFAOYSA-N 1 1 298.430 3.319 20 10 CGCDMO CC[N@H+](Cc1ccc(OC)c(OC)c1O)CC1CCC1 ZINC000894176446 619406212 /nfs/dbraw/zinc/40/62/12/619406212.db2.gz MUPCESRFKSXHNB-UHFFFAOYSA-N 1 1 279.380 3.031 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)[C@H](C)c2ccccn2)c1O ZINC000894423092 619530099 /nfs/dbraw/zinc/53/00/99/619530099.db2.gz OLOORSIWNAJRBM-CYBMUJFWSA-N 1 1 286.375 3.297 20 10 CGCDMO COc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c(O)c1OC ZINC000894721857 619613845 /nfs/dbraw/zinc/61/38/45/619613845.db2.gz GCTPDMVYBAAMRH-BETUJISGSA-N 1 1 291.391 3.031 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)c1O ZINC000894793371 619640778 /nfs/dbraw/zinc/64/07/78/619640778.db2.gz FDWQWVJEJQSGSB-QGZVFWFLSA-N 1 1 287.403 3.474 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](CF)C2)c(Cl)c1 ZINC000895574371 619852146 /nfs/dbraw/zinc/85/21/46/619852146.db2.gz WFWQVDOGIWIKFV-SNVBAGLBSA-N 1 1 257.736 3.145 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000895718173 619874646 /nfs/dbraw/zinc/87/46/46/619874646.db2.gz VFYCOBRQEIQTBM-MRXNPFEDSA-N 1 1 289.419 3.421 20 10 CGCDMO C[C@@H]1Cc2cc(C[N@H+]3Cc4cccc(O)c4C3)ccc2O1 ZINC000895784808 619885392 /nfs/dbraw/zinc/88/53/92/619885392.db2.gz MUHOUXJXRGWEET-GFCCVEGCSA-N 1 1 281.355 3.231 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000896232043 619971667 /nfs/dbraw/zinc/97/16/67/619971667.db2.gz VNZFHCMGVBYZHE-HNAYVOBHSA-N 1 1 295.382 3.174 20 10 CGCDMO Cc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)c(O)c1 ZINC000896423735 620007207 /nfs/dbraw/zinc/00/72/07/620007207.db2.gz KWDAPWQXDLCSGX-WMLDXEAASA-N 1 1 287.334 3.262 20 10 CGCDMO Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c1O ZINC000896794349 620064266 /nfs/dbraw/zinc/06/42/66/620064266.db2.gz MFAVTIFICYDUAV-ROUUACIJSA-N 1 1 294.398 3.164 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)c(O)c1 ZINC000897271966 620176162 /nfs/dbraw/zinc/17/61/62/620176162.db2.gz WCQHQCZIMIFDEK-INIZCTEOSA-N 1 1 289.419 3.339 20 10 CGCDMO CCCCOC(=O)[C@@H](C)[N@@H+](CCC)Cc1ccccc1O ZINC000303956517 620196351 /nfs/dbraw/zinc/19/63/51/620196351.db2.gz XOCFQVDPEOFXLP-CQSZACIVSA-N 1 1 293.407 3.336 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCSC1)c1ccc(Cl)cc1O ZINC000841754083 620392046 /nfs/dbraw/zinc/39/20/46/620392046.db2.gz YTUHLTYCCUWBEA-NXEZZACHSA-N 1 1 271.813 3.449 20 10 CGCDMO CC1(C)C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)CCS1 ZINC000897788055 620431332 /nfs/dbraw/zinc/43/13/32/620431332.db2.gz AHHUIALALLEAMO-NSHDSACASA-N 1 1 287.375 3.434 20 10 CGCDMO C[C@]12CSC[C@H]1C[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC000898422627 620586320 /nfs/dbraw/zinc/58/63/20/620586320.db2.gz LHNKKNYRCIQBSM-YGRLFVJLSA-N 1 1 283.824 3.231 20 10 CGCDMO C[N@@H+](Cc1cccc(=O)[nH]1)Cc1cc2c(cc1O)CCCC2 ZINC000902570626 621375750 /nfs/dbraw/zinc/37/57/50/621375750.db2.gz WFQICTYMBSMRID-UHFFFAOYSA-N 1 1 298.386 3.004 20 10 CGCDMO CCN(CC)c1ccc(C[NH2+]Cc2cc(C)on2)cc1 ZINC000044692505 622817903 /nfs/dbraw/zinc/81/79/03/622817903.db2.gz HKWKBNSNUVYAEB-UHFFFAOYSA-N 1 1 273.380 3.119 20 10 CGCDMO CCc1cc(C[NH+]2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000058584293 622935938 /nfs/dbraw/zinc/93/59/38/622935938.db2.gz JINJEYMFZGHEKE-UHFFFAOYSA-N 1 1 277.408 3.084 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCCCS1)c1ccc(F)cc1O ZINC000157987136 622989710 /nfs/dbraw/zinc/98/97/10/622989710.db2.gz QUMPBTJRGPITEU-PWSUYJOCSA-N 1 1 269.385 3.468 20 10 CGCDMO CCCCOCCC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000168732337 623013466 /nfs/dbraw/zinc/01/34/66/623013466.db2.gz AEQLUMDCTUVNTP-GFCCVEGCSA-N 1 1 269.360 3.389 20 10 CGCDMO CC(C)N(CC[NH2+][C@@H](C)c1ccc(F)cc1O)C(C)C ZINC000062744730 623265185 /nfs/dbraw/zinc/26/51/85/623265185.db2.gz RHYBYCRZDAVYEB-ZDUSSCGKSA-N 1 1 282.403 3.301 20 10 CGCDMO C[C@@H]([NH2+]CCN1CCCCCC1)c1ccc(F)cc1O ZINC000062748035 623266747 /nfs/dbraw/zinc/26/67/47/623266747.db2.gz VGPPWRSPOSVMET-CYBMUJFWSA-N 1 1 280.387 3.058 20 10 CGCDMO CSCC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917074329 624232735 /nfs/dbraw/zinc/23/27/35/624232735.db2.gz YCCPXVZGAIYFCY-UHFFFAOYSA-N 1 1 264.438 3.080 20 10 CGCDMO CCc1cc(C[N@@H+](C)CCOC)c(O)c(C(C)(C)C)c1 ZINC000921048928 624564853 /nfs/dbraw/zinc/56/48/53/624564853.db2.gz YCWRETXMIUKNQN-UHFFFAOYSA-N 1 1 279.424 3.330 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](CC(C)C)C2)c1 ZINC000180199756 624726185 /nfs/dbraw/zinc/72/61/85/624726185.db2.gz RNZRORVZNMTLBF-ZDUSSCGKSA-N 1 1 263.381 3.269 20 10 CGCDMO Cc1cccc(C[N@H+]2CCOC3(CCCCC3)C2)c1O ZINC000180457921 624751602 /nfs/dbraw/zinc/75/16/02/624751602.db2.gz DLTQPTMTHOFSNC-UHFFFAOYSA-N 1 1 275.392 3.236 20 10 CGCDMO Cc1ncsc1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000071213056 625065693 /nfs/dbraw/zinc/06/56/93/625065693.db2.gz KSSQDQFEQUTOIB-QMMMGPOBSA-N 1 1 266.341 3.147 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+](C)C2CCCC2)c1O ZINC000184676075 625262019 /nfs/dbraw/zinc/26/20/19/625262019.db2.gz IRNGIWQLXDVPCZ-UHFFFAOYSA-N 1 1 269.772 3.429 20 10 CGCDMO C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)c2nccn21 ZINC000922163426 625977321 /nfs/dbraw/zinc/97/73/21/625977321.db2.gz ACBQIOIYBXIBDS-WFASDCNBSA-N 1 1 283.375 3.004 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@H]2C2(O)CC2)cc1 ZINC000839144177 626323616 /nfs/dbraw/zinc/32/36/16/626323616.db2.gz SGPMXCFHLKKVRS-KRWDZBQOSA-N 1 1 288.435 3.022 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)C2CC(C)(C)C2)c(O)c1 ZINC000839185725 626327610 /nfs/dbraw/zinc/32/76/10/626327610.db2.gz YFVSOFPCNXZORS-UHFFFAOYSA-N 1 1 263.381 3.411 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCSC(C)(C)CC2)cc1 ZINC000789340179 626362120 /nfs/dbraw/zinc/36/21/20/626362120.db2.gz KAMNUBIZPPSLEZ-UHFFFAOYSA-N 1 1 278.465 3.470 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)[C@H]1C ZINC000751945173 626412667 /nfs/dbraw/zinc/41/26/67/626412667.db2.gz YHIGYJPDTDKMRN-NEPJUHHUSA-N 1 1 256.349 3.171 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1 ZINC000754738792 626585822 /nfs/dbraw/zinc/58/58/22/626585822.db2.gz GCSXQBKDJJTFPO-HOCLYGCPSA-N 1 1 275.392 3.010 20 10 CGCDMO C[C@H]([NH2+]Cc1ccco1)c1cc(F)cc(F)c1O ZINC000756343603 626693720 /nfs/dbraw/zinc/69/37/20/626693720.db2.gz PRTZNVLHKHSJLN-QMMMGPOBSA-N 1 1 253.248 3.114 20 10 CGCDMO C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)c2c1c(F)ccc2[O-] ZINC000756546873 626713878 /nfs/dbraw/zinc/71/38/78/626713878.db2.gz TZLJTFGEHAYXNZ-SMDDNHRTSA-N 1 1 292.398 3.011 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)C(C)C)c1 ZINC000756595085 626718997 /nfs/dbraw/zinc/71/89/97/626718997.db2.gz TUSYQDKQIRKBKU-NEPJUHHUSA-N 1 1 279.380 3.122 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1cc(F)cc(F)c1O ZINC000756595911 626719178 /nfs/dbraw/zinc/71/91/78/626719178.db2.gz ZYFDTRIAPSBGAB-AMIZOPFISA-N 1 1 299.342 3.116 20 10 CGCDMO CCC[N@H+](CC)CCN[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756638872 626723364 /nfs/dbraw/zinc/72/33/64/626723364.db2.gz WJHVWEOHSLNPTN-TZMCWYRMSA-N 1 1 294.414 3.401 20 10 CGCDMO CCC[N@@H+](CC)CCN[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756638872 626723367 /nfs/dbraw/zinc/72/33/67/626723367.db2.gz WJHVWEOHSLNPTN-TZMCWYRMSA-N 1 1 294.414 3.401 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCC2(C)C)c1 ZINC000756642653 626723947 /nfs/dbraw/zinc/72/39/47/626723947.db2.gz PNZJVNKMVHTAQP-IAQYHMDHSA-N 1 1 291.391 3.408 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCCS1)c1cc(F)cc(F)c1O ZINC000756651187 626724581 /nfs/dbraw/zinc/72/45/81/626724581.db2.gz VHXVOKNJCQQEGL-PSASIEDQSA-N 1 1 273.348 3.217 20 10 CGCDMO C[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1ccc(F)cc1O ZINC000756710158 626727240 /nfs/dbraw/zinc/72/72/40/626727240.db2.gz BKGVQSFKRBRBFJ-MEBBXXQBSA-N 1 1 293.313 3.055 20 10 CGCDMO CCC[N@H+](CCN(CC)CC)Cc1cc(F)ccc1O ZINC000764677560 627217897 /nfs/dbraw/zinc/21/78/97/627217897.db2.gz LBGHPFYWEMAHCX-UHFFFAOYSA-N 1 1 282.403 3.085 20 10 CGCDMO CCC[N@@H+](CCN(CC)CC)Cc1cc(F)ccc1O ZINC000764677560 627217899 /nfs/dbraw/zinc/21/78/99/627217899.db2.gz LBGHPFYWEMAHCX-UHFFFAOYSA-N 1 1 282.403 3.085 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCOC3(CCCC3)C1)CCC2 ZINC000765102368 627240393 /nfs/dbraw/zinc/24/03/93/627240393.db2.gz LMLILEJASWHUKC-UHFFFAOYSA-N 1 1 287.403 3.026 20 10 CGCDMO CC[N@H+](Cc1ccc(N(C)C)c(F)c1)CC(C)C ZINC000768334246 627473596 /nfs/dbraw/zinc/47/35/96/627473596.db2.gz CBUSCVIRNYMMMV-UHFFFAOYSA-N 1 1 252.377 3.370 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCc3ccc(O)cc3C2)cc1C ZINC000768867145 627504795 /nfs/dbraw/zinc/50/47/95/627504795.db2.gz DGCDKUDYFIDLRT-UHFFFAOYSA-N 1 1 283.371 3.273 20 10 CGCDMO COc1ccc2c(c1)C[N@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC000769119556 627524122 /nfs/dbraw/zinc/52/41/22/627524122.db2.gz CFENIYPEVOERNM-UHFFFAOYSA-N 1 1 296.414 3.320 20 10 CGCDMO Cc1ccc(O)c(CN2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC000769189877 627530329 /nfs/dbraw/zinc/53/03/29/627530329.db2.gz WCWNMLQXEHOQOY-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CCCN(C(C)(C)C)CC2)c1 ZINC000769189877 627530331 /nfs/dbraw/zinc/53/03/31/627530331.db2.gz WCWNMLQXEHOQOY-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCCN(C(C)(C)C)CC2)c1 ZINC000769189877 627530333 /nfs/dbraw/zinc/53/03/33/627530333.db2.gz WCWNMLQXEHOQOY-UHFFFAOYSA-N 1 1 276.424 3.007 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC(C)(C)OCC2(C)C)cc1 ZINC000769447804 627553469 /nfs/dbraw/zinc/55/34/69/627553469.db2.gz ZQQIULDWWLEFLD-UHFFFAOYSA-N 1 1 276.424 3.142 20 10 CGCDMO CO[C@@H](C)C[N@@H+](Cc1ccc(N(C)C)c(F)c1)C(C)C ZINC000769476165 627558370 /nfs/dbraw/zinc/55/83/70/627558370.db2.gz WUPSVPRYEVJLEI-ZDUSSCGKSA-N 1 1 282.403 3.137 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2CCOCC23CCCC3)cc1F ZINC000769532343 627563063 /nfs/dbraw/zinc/56/30/63/627563063.db2.gz JEHSNTIQMKXBFP-UHFFFAOYSA-N 1 1 292.398 3.037 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCOCC23CCCC3)cc1F ZINC000769532343 627563065 /nfs/dbraw/zinc/56/30/65/627563065.db2.gz JEHSNTIQMKXBFP-UHFFFAOYSA-N 1 1 292.398 3.037 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@](C)(O)c2ccccc2)cc1 ZINC000771529045 627716878 /nfs/dbraw/zinc/71/68/78/627716878.db2.gz UDIFIGMDHDVQJT-IBGZPJMESA-N 1 1 298.430 3.092 20 10 CGCDMO CC[C@@H](CSC)[N@@H+](C)Cc1cc(OC)c(C)cc1O ZINC000773258287 627870053 /nfs/dbraw/zinc/87/00/53/627870053.db2.gz PWKBNVUIPHMGPL-ZDUSSCGKSA-N 1 1 283.437 3.283 20 10 CGCDMO CCN(C)c1ccc(CN2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000773887552 627924754 /nfs/dbraw/zinc/92/47/54/627924754.db2.gz FVZUAKZOPCREFI-QGZVFWFLSA-N 1 1 289.467 3.059 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCO[C@](C)(CC)C2)cc1 ZINC000773887801 627925157 /nfs/dbraw/zinc/92/51/57/627925157.db2.gz HOTXECMYNDJGRG-QGZVFWFLSA-N 1 1 276.424 3.144 20 10 CGCDMO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775030160 628054769 /nfs/dbraw/zinc/05/47/69/628054769.db2.gz QYYXYYNYCWEVQI-QWRGUYRKSA-N 1 1 296.367 3.223 20 10 CGCDMO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(C)c2O)C[C@H](C)O1 ZINC000775661202 628121336 /nfs/dbraw/zinc/12/13/36/628121336.db2.gz KORPMWPBXGMIHP-FZMZJTMJSA-N 1 1 283.799 3.353 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(C)c2O)C[C@H](C)O1 ZINC000775661202 628121339 /nfs/dbraw/zinc/12/13/39/628121339.db2.gz KORPMWPBXGMIHP-FZMZJTMJSA-N 1 1 283.799 3.353 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1O ZINC000775706790 628127526 /nfs/dbraw/zinc/12/75/26/628127526.db2.gz DKOBGYIAEDEYSV-PHIMTYICSA-N 1 1 253.773 3.442 20 10 CGCDMO CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC000775715546 628128688 /nfs/dbraw/zinc/12/86/88/628128688.db2.gz GPKOUOJLSQHUGI-OCCSQVGLSA-N 1 1 296.842 3.350 20 10 CGCDMO CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC000775715546 628128693 /nfs/dbraw/zinc/12/86/93/628128693.db2.gz GPKOUOJLSQHUGI-OCCSQVGLSA-N 1 1 296.842 3.350 20 10 CGCDMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC000775715546 628128696 /nfs/dbraw/zinc/12/86/96/628128696.db2.gz GPKOUOJLSQHUGI-OCCSQVGLSA-N 1 1 296.842 3.350 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](C)[C@H](F)C2)c1 ZINC000777969488 628317001 /nfs/dbraw/zinc/31/70/01/628317001.db2.gz SUPPSCFTFTWVSR-SMDDNHRTSA-N 1 1 251.345 3.189 20 10 CGCDMO CC(C)[N@@H+](Cc1ccccn1)Cc1ccccc1O ZINC000778999796 628382638 /nfs/dbraw/zinc/38/26/38/628382638.db2.gz JWEFDNDVZJKCLV-UHFFFAOYSA-N 1 1 256.349 3.198 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000779188173 628393163 /nfs/dbraw/zinc/39/31/63/628393163.db2.gz HBNWWRLGRJXIQY-GOSISDBHSA-N 1 1 288.435 3.144 20 10 CGCDMO CC1(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000787049054 628980392 /nfs/dbraw/zinc/98/03/92/628980392.db2.gz KWTXGWACPLGDAG-HNNXBMFYSA-N 1 1 275.392 3.173 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)c1O ZINC000790934109 629241333 /nfs/dbraw/zinc/24/13/33/629241333.db2.gz DZGPXSWPISAWPG-IUODEOHRSA-N 1 1 297.826 3.479 20 10 CGCDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000790934289 629242095 /nfs/dbraw/zinc/24/20/95/629242095.db2.gz JTRNMIXARRXQNA-HIFRSBDPSA-N 1 1 294.414 3.017 20 10 CGCDMO CCCC[C@@H](COC)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790968093 629244381 /nfs/dbraw/zinc/24/43/81/629244381.db2.gz KDZPIIQIDZRTOS-JTQLQIEISA-N 1 1 289.778 3.480 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C1(C2CC2)CC1 ZINC000790977259 629245234 /nfs/dbraw/zinc/24/52/34/629245234.db2.gz TYZFYVVQYZQFJL-UHFFFAOYSA-N 1 1 255.720 3.217 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862314941 629343056 /nfs/dbraw/zinc/34/30/56/629343056.db2.gz MZNVEVVKBJFMSL-ZDUSSCGKSA-N 1 1 298.377 3.032 20 10 CGCDMO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792171095 629343718 /nfs/dbraw/zinc/34/37/18/629343718.db2.gz YCYTUOKUXQFPCZ-DTWKUNHWSA-N 1 1 257.736 3.415 20 10 CGCDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792171095 629343723 /nfs/dbraw/zinc/34/37/23/629343723.db2.gz YCYTUOKUXQFPCZ-DTWKUNHWSA-N 1 1 257.736 3.415 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCc2cc(C)ccc2C1 ZINC000792181183 629346056 /nfs/dbraw/zinc/34/60/56/629346056.db2.gz PPVSQZWDHRAQCM-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO CO[C@@]1(C)CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000793216860 629429659 /nfs/dbraw/zinc/42/96/59/629429659.db2.gz JSNZXVGSOWMTTI-AWEZNQCLSA-N 1 1 287.762 3.186 20 10 CGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000793216860 629429664 /nfs/dbraw/zinc/42/96/64/629429664.db2.gz JSNZXVGSOWMTTI-AWEZNQCLSA-N 1 1 287.762 3.186 20 10 CGCDMO C[C@@H]1C[C@@H](C)[NH+]1Cc1cccc(Br)c1O ZINC000793227449 629431794 /nfs/dbraw/zinc/43/17/94/629431794.db2.gz CETCDOIAQTXDBD-RKDXNWHRSA-N 1 1 270.170 3.137 20 10 CGCDMO CCOc1ccc(C[N@@H+](CC)CC2CCC2)c(O)c1 ZINC000793352309 629446612 /nfs/dbraw/zinc/44/66/12/629446612.db2.gz KXPCRHBNEIPEQF-UHFFFAOYSA-N 1 1 263.381 3.413 20 10 CGCDMO CC[N@H+](Cc1cc(OC)c(C)cc1O)CC1CCC1 ZINC000794683673 629566257 /nfs/dbraw/zinc/56/62/57/629566257.db2.gz OZLJXIPQOJEUKC-UHFFFAOYSA-N 1 1 263.381 3.331 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000863546164 629603838 /nfs/dbraw/zinc/60/38/38/629603838.db2.gz FERBLTWMYQGOPQ-VHSKPIJISA-N 1 1 289.206 3.100 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000795665612 629707099 /nfs/dbraw/zinc/70/70/99/629707099.db2.gz GCDDNCBZEPIWEY-MRXNPFEDSA-N 1 1 285.391 3.459 20 10 CGCDMO COc1cc(C[N@H+](C)C[C@H](C)OC)c(O)c(C(C)(C)C)c1 ZINC000795752619 629713495 /nfs/dbraw/zinc/71/34/95/629713495.db2.gz UPOZGYBRTMLVQJ-LBPRGKRZSA-N 1 1 295.423 3.165 20 10 CGCDMO CC[C@@H]([NH2+]CCN1CCCCC1)c1ccc(F)cc1O ZINC000796683721 629814390 /nfs/dbraw/zinc/81/43/90/629814390.db2.gz PMTFPSIZMBJKHD-OAHLLOKOSA-N 1 1 280.387 3.058 20 10 CGCDMO CC[C@@H]([NH2+]CCN1CCC[C@H]1C)c1ccc(F)cc1O ZINC000796785838 629833689 /nfs/dbraw/zinc/83/36/89/629833689.db2.gz ZLEWJDGMAYUFII-IUODEOHRSA-N 1 1 280.387 3.056 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H]2c2cccnc2)c1O ZINC000798189990 630033140 /nfs/dbraw/zinc/03/31/40/630033140.db2.gz VPRDYJFDJROQHW-INIZCTEOSA-N 1 1 298.386 3.441 20 10 CGCDMO CSCCC[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000798965064 630130560 /nfs/dbraw/zinc/13/05/60/630130560.db2.gz XPEFYHQIIVKEIB-UHFFFAOYSA-N 1 1 270.417 3.077 20 10 CGCDMO CCCC[N@@H+](CCC(=O)OC(C)C)Cc1ccccc1O ZINC000801596831 630346943 /nfs/dbraw/zinc/34/69/43/630346943.db2.gz QDTVZTFKOKCHSE-UHFFFAOYSA-N 1 1 293.407 3.336 20 10 CGCDMO CC1(C)SC[C@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000801735547 630353939 /nfs/dbraw/zinc/35/39/39/630353939.db2.gz KNMZCKOQRGXHDZ-SNVBAGLBSA-N 1 1 275.776 3.168 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000840118352 630599962 /nfs/dbraw/zinc/59/99/62/630599962.db2.gz DEZGKOUOOLPEJF-ZACQAIPSSA-N 1 1 289.419 3.134 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cncc(OC)c1 ZINC000808709270 630667914 /nfs/dbraw/zinc/66/79/14/630667914.db2.gz WNDWJCVNJWENKV-UHFFFAOYSA-N 1 1 299.418 3.178 20 10 CGCDMO COc1cccc(C[N@H+]2CC3(CCC3)[C@H]2C(C)C)c1O ZINC000814171836 631536467 /nfs/dbraw/zinc/53/64/67/631536467.db2.gz VNPMZBWKUHXHLX-MRXNPFEDSA-N 1 1 275.392 3.411 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c(O)c1 ZINC000814169328 631537081 /nfs/dbraw/zinc/53/70/81/631537081.db2.gz GRIUYCQTTJNSIB-LSDHHAIUSA-N 1 1 297.345 3.268 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@H](n3ccnc3)C2)ccc1N(C)C ZINC000815034733 631706443 /nfs/dbraw/zinc/70/64/43/631706443.db2.gz AEXNFLDGCHDDAY-KRWDZBQOSA-N 1 1 298.434 3.095 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)CCS1 ZINC000815054237 631707449 /nfs/dbraw/zinc/70/74/49/631707449.db2.gz CITTZYWGFNUGIA-HNNXBMFYSA-N 1 1 278.465 3.388 20 10 CGCDMO Cc1cc(C[N@@H+](C)CCOC(C)(C)C)ccc1N(C)C ZINC000815061732 631708567 /nfs/dbraw/zinc/70/85/67/631708567.db2.gz GAIPMRCVHMFZQX-UHFFFAOYSA-N 1 1 278.440 3.308 20 10 CGCDMO CCCC[N@@H+](CCCO)Cc1ccc(N(C)C)c(C)c1 ZINC000815084861 631713710 /nfs/dbraw/zinc/71/37/10/631713710.db2.gz CVBNEDNMSNNURM-UHFFFAOYSA-N 1 1 278.440 3.046 20 10 CGCDMO Cc1ccncc1C[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000815105551 631717418 /nfs/dbraw/zinc/71/74/18/631717418.db2.gz GIYIOHBRPXZVFY-UHFFFAOYSA-N 1 1 283.419 3.396 20 10 CGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815102281 631717653 /nfs/dbraw/zinc/71/76/53/631717653.db2.gz HRAQBOCMAYQHON-KRWDZBQOSA-N 1 1 276.424 3.062 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCSCC[C@H]2C)cc1 ZINC000815101163 631717752 /nfs/dbraw/zinc/71/77/52/631717752.db2.gz PFYASCOJUNIYOY-CQSZACIVSA-N 1 1 278.465 3.470 20 10 CGCDMO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCCN(C)C2)c(O)c1 ZINC000815578417 631799519 /nfs/dbraw/zinc/79/95/19/631799519.db2.gz NVMGPCKXRAMTQJ-GJZGRUSLSA-N 1 1 276.424 3.001 20 10 CGCDMO C[C@@H]([NH2+]CCCCCO)c1cccc(C(F)(F)F)c1O ZINC000815622457 631807638 /nfs/dbraw/zinc/80/76/38/631807638.db2.gz VWUCBLIGVSGYHZ-SNVBAGLBSA-N 1 1 291.313 3.224 20 10 CGCDMO C[C@H]([NH2+]C[C@H](CO)C1CCCCC1)c1ccc(F)cc1O ZINC000815648012 631813029 /nfs/dbraw/zinc/81/30/29/631813029.db2.gz BROZZJWETGHGJR-GXTWGEPZSA-N 1 1 295.398 3.371 20 10 CGCDMO Cc1nocc1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000816484534 631989808 /nfs/dbraw/zinc/98/98/08/631989808.db2.gz GJNWYPOBNHUXMM-UHFFFAOYSA-N 1 1 285.391 3.214 20 10 CGCDMO CC1(C)C[N@@H+](Cc2ccc3ccccc3c2O)CC[C@@H]1O ZINC000816586295 632017500 /nfs/dbraw/zinc/01/75/00/632017500.db2.gz FCAFMGDVTIWPSX-INIZCTEOSA-N 1 1 285.387 3.138 20 10 CGCDMO CCOC1CC([N@H+](C)Cc2cc(Cl)c(F)cc2O)C1 ZINC000816612386 632022517 /nfs/dbraw/zinc/02/25/17/632022517.db2.gz NLYMDESAOLRTRA-UHFFFAOYSA-N 1 1 287.762 3.184 20 10 CGCDMO CCOC1CC([N@@H+](C)Cc2cc(Cl)c(F)cc2O)C1 ZINC000816612386 632022522 /nfs/dbraw/zinc/02/25/22/632022522.db2.gz NLYMDESAOLRTRA-UHFFFAOYSA-N 1 1 287.762 3.184 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC(C)(C)[C@H]2C(C)C)c1 ZINC000816624656 632026482 /nfs/dbraw/zinc/02/64/82/632026482.db2.gz CDWXHTZKRPWLLD-OAHLLOKOSA-N 1 1 263.381 3.267 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCCO[C@H](C(C)C)C2)cc1C ZINC000816674645 632041502 /nfs/dbraw/zinc/04/15/02/632041502.db2.gz GYHHTQVAGRMUSC-KRWDZBQOSA-N 1 1 277.408 3.256 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817942154 632240901 /nfs/dbraw/zinc/24/09/01/632240901.db2.gz XMEFISKATSTVIL-DTWKUNHWSA-N 1 1 289.206 3.102 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817946086 632243526 /nfs/dbraw/zinc/24/35/26/632243526.db2.gz RCXDCGOETBECCR-SMDDNHRTSA-N 1 1 282.815 3.086 20 10 CGCDMO C[C@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)c2c1c(F)ccc2[O-] ZINC000817965241 632260169 /nfs/dbraw/zinc/26/01/69/632260169.db2.gz RPWANHKEJQLNRL-AAEUAGOBSA-N 1 1 292.398 3.059 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCCCNC1)c1cc2c(cc1O)CCCC2 ZINC000817983905 632273301 /nfs/dbraw/zinc/27/33/01/632273301.db2.gz LCJIODJEOKTCJO-CZUORRHYSA-N 1 1 288.435 3.064 20 10 CGCDMO C[C@H]1CC2(C[N@H+]1Cc1cccc(Cl)c1[O-])CC[NH2+]CC2 ZINC000818431921 632318519 /nfs/dbraw/zinc/31/85/19/632318519.db2.gz WKXDUSPXSXMVOX-LBPRGKRZSA-N 1 1 294.826 3.010 20 10 CGCDMO C[C@@H]([NH2+]Cc1cc2n(n1)CCCC2)c1ccc(N(C)C)cc1 ZINC000844322454 635869785 /nfs/dbraw/zinc/86/97/85/635869785.db2.gz NCBYBMAMXVLMBE-CQSZACIVSA-N 1 1 298.434 3.136 20 10 CGCDMO CCN(CC)c1ccc(C[NH+]2CC3(CC3)C2)cc1F ZINC000824533789 633254899 /nfs/dbraw/zinc/25/48/99/633254899.db2.gz OCXPKMHWEAXSEA-UHFFFAOYSA-N 1 1 262.372 3.268 20 10 CGCDMO CN1CCN(c2ccc(C[NH2+]CC3=CCCCC3)cc2)CC1 ZINC000824538619 633256563 /nfs/dbraw/zinc/25/65/63/633256563.db2.gz QUXFYJVXHHTWQP-UHFFFAOYSA-N 1 1 299.462 3.028 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000824696971 633275661 /nfs/dbraw/zinc/27/56/61/633275661.db2.gz WKDPZERVEBFOEC-JZXOWHBKSA-N 1 1 289.419 3.216 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)C[C@H]1C ZINC000824815361 633294916 /nfs/dbraw/zinc/29/49/16/633294916.db2.gz MPLARILMGAUTQO-RISCZKNCSA-N 1 1 283.799 3.211 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2ccc[nH]2)cc1Cl ZINC000824906380 633304281 /nfs/dbraw/zinc/30/42/81/633304281.db2.gz OJJUVVKISFGIRE-UHFFFAOYSA-N 1 1 264.756 3.314 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCSC[C@@H]2C2CC2)c(O)c1 ZINC000824914339 633305392 /nfs/dbraw/zinc/30/53/92/633305392.db2.gz PTKSCHKCAILSBX-OAHLLOKOSA-N 1 1 293.432 3.118 20 10 CGCDMO C[C@@H]1[C@H](O)CC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000825104533 633329142 /nfs/dbraw/zinc/32/91/42/633329142.db2.gz ZLZYGUVICYTNHB-CXAGYDPISA-N 1 1 283.371 3.014 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000825134070 633331745 /nfs/dbraw/zinc/33/17/45/633331745.db2.gz ULJQRQYMEWSZSU-OAHLLOKOSA-N 1 1 299.773 3.187 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000825134070 633331747 /nfs/dbraw/zinc/33/17/47/633331747.db2.gz ULJQRQYMEWSZSU-OAHLLOKOSA-N 1 1 299.773 3.187 20 10 CGCDMO Cc1c(C[N@@H+](C)Cc2cc(Cl)c(C)cc2O)cnn1C ZINC000825731411 633378646 /nfs/dbraw/zinc/37/86/46/633378646.db2.gz HDILEEDZMXVALJ-UHFFFAOYSA-N 1 1 293.798 3.028 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](O)CC(C)(C)C2)cc1Cl ZINC000826089699 633404408 /nfs/dbraw/zinc/40/44/08/633404408.db2.gz NSEPUEPJNFOJBH-ZDUSSCGKSA-N 1 1 297.826 3.337 20 10 CGCDMO Cc1cc(N(C)C)ccc1CN[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000826872283 633439339 /nfs/dbraw/zinc/43/93/39/633439339.db2.gz KBPRTPKMPBXONG-INIZCTEOSA-N 1 1 289.467 3.023 20 10 CGCDMO Cc1cc(N(C)C)ccc1CN[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000826872283 633439342 /nfs/dbraw/zinc/43/93/42/633439342.db2.gz KBPRTPKMPBXONG-INIZCTEOSA-N 1 1 289.467 3.023 20 10 CGCDMO CCC[N@@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000122731565 633501684 /nfs/dbraw/zinc/50/16/84/633501684.db2.gz VMSVVACQLKQRCR-UHFFFAOYSA-N 1 1 251.370 3.237 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](C3CCC3)C2)c1 ZINC000827627503 633504195 /nfs/dbraw/zinc/50/41/95/633504195.db2.gz UXUWZESDDYJDRN-AWEZNQCLSA-N 1 1 275.392 3.413 20 10 CGCDMO Cc1cc(N(C)C)ccc1CNC1CC[NH+](C(C)C)CC1 ZINC000122797010 633511415 /nfs/dbraw/zinc/51/14/15/633511415.db2.gz FLKQGVQWUVSOMY-UHFFFAOYSA-N 1 1 289.467 3.023 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[NH2+]C1CCN(C(C)C)CC1 ZINC000122797010 633511417 /nfs/dbraw/zinc/51/14/17/633511417.db2.gz FLKQGVQWUVSOMY-UHFFFAOYSA-N 1 1 289.467 3.023 20 10 CGCDMO Cc1cc(C[N@H+](C)[C@H]2CCOC2)ccc1N1CCCCC1 ZINC000827771978 633515918 /nfs/dbraw/zinc/51/59/18/633515918.db2.gz JHDBSRLBLHPRNI-KRWDZBQOSA-N 1 1 288.435 3.206 20 10 CGCDMO CCc1cccc(C[N@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)c1O ZINC000827958152 633540614 /nfs/dbraw/zinc/54/06/14/633540614.db2.gz YYWWKRXFPICEEW-MEDUHNTESA-N 1 1 299.361 3.199 20 10 CGCDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2coc(C3CC3)n2)c1 ZINC000845973295 636126196 /nfs/dbraw/zinc/12/61/96/636126196.db2.gz XKXLOMUGZIEAOD-JTQLQIEISA-N 1 1 288.347 3.117 20 10 CGCDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc(N(C)C)cc3)c2C[C@@H]1C ZINC000830918590 633898054 /nfs/dbraw/zinc/89/80/54/633898054.db2.gz GCMLVKDJKUHDHM-KGLIPLIRSA-N 1 1 283.419 3.368 20 10 CGCDMO CC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000872799959 634211160 /nfs/dbraw/zinc/21/11/60/634211160.db2.gz IPTRCZJRVZPCPK-OAHLLOKOSA-N 1 1 283.371 3.346 20 10 CGCDMO CC[C@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CCCO1 ZINC000835051258 634337026 /nfs/dbraw/zinc/33/70/26/634337026.db2.gz IUSUZJPHXLHHNM-FZMUQLTDSA-N 1 1 288.435 3.267 20 10 CGCDMO CO[C@@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000835053795 634338154 /nfs/dbraw/zinc/33/81/54/634338154.db2.gz YLHBRDDUBJKVHJ-HLJKATFASA-N 1 1 288.435 3.265 20 10 CGCDMO Cc1ccc(C[N@H+]2CCO[C@@H](c3cccs3)C2)c(O)c1 ZINC000876645010 634874537 /nfs/dbraw/zinc/87/45/37/634874537.db2.gz HIGJHHYDMJPQQD-OAHLLOKOSA-N 1 1 289.400 3.336 20 10 CGCDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc(C)cc1O ZINC000876806690 634901775 /nfs/dbraw/zinc/90/17/75/634901775.db2.gz RXPDVZVAZNQSMO-INIZCTEOSA-N 1 1 285.391 3.080 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccn(CC)n2)cc1 ZINC000840839835 635062518 /nfs/dbraw/zinc/06/25/18/635062518.db2.gz UYEVVOIFJOONLW-CQSZACIVSA-N 1 1 286.423 3.210 20 10 CGCDMO Cc1cc(O)c(CNC[C@H](C)C[NH+]2CCCC2)c(Cl)c1 ZINC000840880201 635071940 /nfs/dbraw/zinc/07/19/40/635071940.db2.gz JGOZPDNYNZJXCW-ZDUSSCGKSA-N 1 1 296.842 3.176 20 10 CGCDMO COCCc1cc[nH+]c(NCc2ccc(N(C)C)cc2C)c1 ZINC000840884944 635073928 /nfs/dbraw/zinc/07/39/28/635073928.db2.gz RUDCNULIYPPLEP-UHFFFAOYSA-N 1 1 299.418 3.257 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000877538551 635078083 /nfs/dbraw/zinc/07/80/83/635078083.db2.gz DIDXWAIXRNNQOF-LLVKDONJSA-N 1 1 255.308 3.178 20 10 CGCDMO Cc1ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c(O)c1 ZINC000877539940 635079142 /nfs/dbraw/zinc/07/91/42/635079142.db2.gz QSWIDXMQQOUKQJ-CVEARBPZSA-N 1 1 275.392 3.090 20 10 CGCDMO Cc1cnc(C[NH2+]Cc2c(O)cc(C)cc2Cl)s1 ZINC000840906987 635079336 /nfs/dbraw/zinc/07/93/36/635079336.db2.gz YZGKKBACUYURJV-UHFFFAOYSA-N 1 1 282.796 3.409 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000877542142 635080755 /nfs/dbraw/zinc/08/07/55/635080755.db2.gz WNBZUWUUQQPQAS-IAGOWNOFSA-N 1 1 287.403 3.234 20 10 CGCDMO Cc1noc(C)c1C[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840911121 635081873 /nfs/dbraw/zinc/08/18/73/635081873.db2.gz PPPAXVCXYSCMHS-UHFFFAOYSA-N 1 1 287.407 3.298 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000840936519 635085881 /nfs/dbraw/zinc/08/58/81/635085881.db2.gz KTRDSLBDBZZADF-AEFFLSMTSA-N 1 1 290.451 3.044 20 10 CGCDMO CC[N@@H+](Cc1occc1C)Cc1c(O)cccc1OC ZINC000840969638 635097009 /nfs/dbraw/zinc/09/70/09/635097009.db2.gz GKBLSUPJSGRMAC-UHFFFAOYSA-N 1 1 275.348 3.324 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000877644170 635128695 /nfs/dbraw/zinc/12/86/95/635128695.db2.gz RTTSLFMIQZZXND-UHFFFAOYSA-N 1 1 285.391 3.008 20 10 CGCDMO CCOc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)cc1OC ZINC000877703505 635155357 /nfs/dbraw/zinc/15/53/57/635155357.db2.gz MNBPGHNRRHDPAB-UHFFFAOYSA-N 1 1 299.370 3.315 20 10 CGCDMO CCOc1ccc(C[N@H+]2Cc3cccc(O)c3C2)cc1OC ZINC000877703505 635155361 /nfs/dbraw/zinc/15/53/61/635155361.db2.gz MNBPGHNRRHDPAB-UHFFFAOYSA-N 1 1 299.370 3.315 20 10 CGCDMO C[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccc(Cl)cc1O ZINC000841749028 635225156 /nfs/dbraw/zinc/22/51/56/635225156.db2.gz BFIDZRJNSALYPO-GMXVVIOVSA-N 1 1 283.799 3.247 20 10 CGCDMO CC(C)[C@H](CCO)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841755410 635229203 /nfs/dbraw/zinc/22/92/03/635229203.db2.gz PENOAKFDSMLSCQ-MFKMUULPSA-N 1 1 271.788 3.103 20 10 CGCDMO C[C@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(Cl)cc1O ZINC000841758259 635232113 /nfs/dbraw/zinc/23/21/13/635232113.db2.gz KVZMYYAQBSCWJO-VLRKGOCCSA-N 1 1 283.799 3.390 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCSC[C@H]1C1CCC1 ZINC000841894614 635250352 /nfs/dbraw/zinc/25/03/52/635250352.db2.gz ZXZJELLCQARQSD-AWEZNQCLSA-N 1 1 281.396 3.249 20 10 CGCDMO O=c1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)cc[nH]1 ZINC000878103022 635357804 /nfs/dbraw/zinc/35/78/04/635357804.db2.gz GXFHPZJQMDSTLM-UHFFFAOYSA-N 1 1 298.386 3.438 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)cc1C ZINC000842637213 635425171 /nfs/dbraw/zinc/42/51/71/635425171.db2.gz KYEXLARPHAALNX-OAHLLOKOSA-N 1 1 289.419 3.400 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCc3ccsc3C2)c1 ZINC000127081412 635489424 /nfs/dbraw/zinc/48/94/24/635489424.db2.gz ZFRFZZGPQBECGX-UHFFFAOYSA-N 1 1 289.400 3.411 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000843416971 635663487 /nfs/dbraw/zinc/66/34/87/635663487.db2.gz NBCGWCZJCVLGHF-WFASDCNBSA-N 1 1 295.810 3.437 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](CC)OC[C@@H]2CC)c1 ZINC000846028013 636131908 /nfs/dbraw/zinc/13/19/08/636131908.db2.gz UCMZECVAGSYDIW-LSDHHAIUSA-N 1 1 293.407 3.180 20 10 CGCDMO CC[N@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCCOC1 ZINC000846051068 636138370 /nfs/dbraw/zinc/13/83/70/636138370.db2.gz ARJDKSPUCQNYMT-LLVKDONJSA-N 1 1 287.762 3.186 20 10 CGCDMO CC[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCCOC1 ZINC000846051068 636138374 /nfs/dbraw/zinc/13/83/74/636138374.db2.gz ARJDKSPUCQNYMT-LLVKDONJSA-N 1 1 287.762 3.186 20 10 CGCDMO Oc1c(C[N@H+]2CCC[C@H](F)C2)ccc2ccccc21 ZINC000846121308 636148402 /nfs/dbraw/zinc/14/84/02/636148402.db2.gz XSGMTOBSSBTPBG-AWEZNQCLSA-N 1 1 259.324 3.479 20 10 CGCDMO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883161906 636559621 /nfs/dbraw/zinc/55/96/21/636559621.db2.gz DXANSUFMSXRVLJ-HAQNSBGRSA-N 1 1 285.334 3.106 20 10 CGCDMO COCC1(C[NH2+][C@H](C)c2ccc(Cl)cc2O)CC1 ZINC000848561018 636606480 /nfs/dbraw/zinc/60/64/80/636606480.db2.gz NVHOLISUAXNFFI-SNVBAGLBSA-N 1 1 269.772 3.123 20 10 CGCDMO CCc1cccc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c1O ZINC000848883308 636671989 /nfs/dbraw/zinc/67/19/89/636671989.db2.gz LYOVWYXSIZUAKF-TXEJJXNPSA-N 1 1 265.422 3.280 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@H]2CN2CCCC2)c1O ZINC000848883963 636673395 /nfs/dbraw/zinc/67/33/95/636673395.db2.gz WDDUZZKTFBWNAP-QGZVFWFLSA-N 1 1 288.435 3.015 20 10 CGCDMO CCc1cccc(CN2CCC[C@@H]2C[NH+]2CCCC2)c1O ZINC000848883963 636673399 /nfs/dbraw/zinc/67/33/99/636673399.db2.gz WDDUZZKTFBWNAP-QGZVFWFLSA-N 1 1 288.435 3.015 20 10 CGCDMO CCc1cccc(C[NH2+]C2CCN(C(C)(C)C)CC2)c1O ZINC000848895802 636680093 /nfs/dbraw/zinc/68/00/93/636680093.db2.gz YJQJTSKZXPRBOG-UHFFFAOYSA-N 1 1 290.451 3.307 20 10 CGCDMO CCc1cccc(C[N@@H+](C)Cc2occc2C)c1O ZINC000848913088 636687240 /nfs/dbraw/zinc/68/72/40/636687240.db2.gz NWFJMCIJCRSUBT-UHFFFAOYSA-N 1 1 259.349 3.488 20 10 CGCDMO CC(C)(C)OC(=O)C[N@H+](Cc1ccccc1O)C1CCC1 ZINC000848927872 636700245 /nfs/dbraw/zinc/70/02/45/636700245.db2.gz PPRVIXUCDFOAKI-UHFFFAOYSA-N 1 1 291.391 3.088 20 10 CGCDMO CC(C)(C)OC(=O)C[N@@H+](Cc1ccccc1O)C1CCC1 ZINC000848927872 636700251 /nfs/dbraw/zinc/70/02/51/636700251.db2.gz PPRVIXUCDFOAKI-UHFFFAOYSA-N 1 1 291.391 3.088 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1ccc(F)cc1O ZINC000883365721 636707558 /nfs/dbraw/zinc/70/75/58/636707558.db2.gz GAQAXZSPIGKMKC-XZJROXQQSA-N 1 1 279.355 3.284 20 10 CGCDMO CCOc1cccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1O ZINC000131826154 636754750 /nfs/dbraw/zinc/75/47/50/636754750.db2.gz HCIIRBCNXIPLLQ-BETUJISGSA-N 1 1 263.381 3.269 20 10 CGCDMO CC(C)n1ccnc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000850099227 636959681 /nfs/dbraw/zinc/95/96/81/636959681.db2.gz IAKUZYXLQFZQLX-UHFFFAOYSA-N 1 1 298.434 3.136 20 10 CGCDMO Cc1c[nH]c(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)n1 ZINC000850128383 636963294 /nfs/dbraw/zinc/96/32/94/636963294.db2.gz AOAVMVLFQOVXLZ-UHFFFAOYSA-N 1 1 298.434 3.244 20 10 CGCDMO CC[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1ccc(N(C)C)cc1 ZINC000850499107 637092070 /nfs/dbraw/zinc/09/20/70/637092070.db2.gz JNTOUDJHDXKWGV-RCBQFDQVSA-N 1 1 299.422 3.091 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@@H](C(C)C)C2)c1O ZINC000135648773 637150032 /nfs/dbraw/zinc/15/00/32/637150032.db2.gz BUBDISLNIBXAKG-CYBMUJFWSA-N 1 1 263.381 3.269 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1cccc(F)c1F ZINC000109769936 637267963 /nfs/dbraw/zinc/26/79/63/637267963.db2.gz IGEYBGQATITVCY-UHFFFAOYSA-N 1 1 263.287 3.302 20 10 CGCDMO CC[C@H](C[NH2+][C@@H](C)c1c(O)cccc1F)N1CCCC1 ZINC000886501554 637542891 /nfs/dbraw/zinc/54/28/91/637542891.db2.gz OCXRNTSDOKXMCS-QWHCGFSZSA-N 1 1 280.387 3.056 20 10 CGCDMO Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886530506 637556259 /nfs/dbraw/zinc/55/62/59/637556259.db2.gz LTUZWKGGNCPBDA-GXSJLCMTSA-N 1 1 292.354 3.418 20 10 CGCDMO C[C@H](Cc1ccncc1)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886536414 637562574 /nfs/dbraw/zinc/56/25/74/637562574.db2.gz HBJWSDVPLVJELG-VXGBXAGGSA-N 1 1 274.339 3.208 20 10 CGCDMO C[C@@H]([NH2+]CCCOC(C)(C)C)c1c(O)cccc1F ZINC000886638094 637622753 /nfs/dbraw/zinc/62/27/53/637622753.db2.gz LOJKHJOOFMTYHP-LLVKDONJSA-N 1 1 269.360 3.387 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)cc1 ZINC000852586075 637683505 /nfs/dbraw/zinc/68/35/05/637683505.db2.gz CBSNZDKYBWAEBQ-CABCVRRESA-N 1 1 276.424 3.142 20 10 CGCDMO C[C@H]([NH2+]CCOCCF)c1cccc(C(F)(F)F)c1O ZINC000853238744 637790375 /nfs/dbraw/zinc/79/03/75/637790375.db2.gz PNQYBWVVIDXEGN-VIFPVBQESA-N 1 1 295.276 3.048 20 10 CGCDMO CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000854230297 638028691 /nfs/dbraw/zinc/02/86/91/638028691.db2.gz MBLCLZZXMUXTGX-ZWNOBZJWSA-N 1 1 270.804 3.070 20 10 CGCDMO CNC[C@H](C)[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000854232235 638029853 /nfs/dbraw/zinc/02/98/53/638029853.db2.gz OIVFPKSESFRQNV-MAUKXSAKSA-N 1 1 298.430 3.264 20 10 CGCDMO CCc1nc(C[NH2+]Cc2ccc(N(C)C)cc2C)cs1 ZINC000115629066 638570039 /nfs/dbraw/zinc/57/00/39/638570039.db2.gz WLMUYSUMVZJUJR-UHFFFAOYSA-N 1 1 289.448 3.370 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)cc1[O-] ZINC000858491659 638741373 /nfs/dbraw/zinc/74/13/73/638741373.db2.gz MTIKUDJLTKDUFD-CHWSQXEVSA-N 1 1 296.842 3.428 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1ccc(F)cc1O ZINC000858546793 638758554 /nfs/dbraw/zinc/75/85/54/638758554.db2.gz FMRDKCJYWKIISH-IVMMDQJWSA-N 1 1 279.355 3.140 20 10 CGCDMO C[C@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1cc(F)cc(F)c1O ZINC000926914846 638824670 /nfs/dbraw/zinc/82/46/70/638824670.db2.gz DAFZOWBVRWPJIR-DRZCJDIDSA-N 1 1 297.345 3.280 20 10 CGCDMO C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1ccc(F)cc1O ZINC000927070792 638837992 /nfs/dbraw/zinc/83/79/92/638837992.db2.gz VEAQKVSKODNADF-PLQHRBFRSA-N 1 1 293.382 3.387 20 10 CGCDMO COC1CC(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000859081939 639073563 /nfs/dbraw/zinc/07/35/63/639073563.db2.gz MLSUVWGDDMWZNB-UHFFFAOYSA-N 1 1 288.435 3.142 20 10 CGCDMO C[C@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000158934639 640025873 /nfs/dbraw/zinc/02/58/73/640025873.db2.gz IQVMLARSVWXCTI-AWEZNQCLSA-N 1 1 292.398 3.037 20 10 CGCDMO CC[N@H+](Cc1cc(OC)c(C)cc1O)CC(C)C ZINC000159845820 640071693 /nfs/dbraw/zinc/07/16/93/640071693.db2.gz NHHSZPQQCOXHFA-UHFFFAOYSA-N 1 1 251.370 3.187 20 10 CGCDMO CSCC[C@H](C)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000079437948 640402648 /nfs/dbraw/zinc/40/26/48/640402648.db2.gz WECHWXKSBBJKNT-JTQLQIEISA-N 1 1 299.411 3.307 20 10 CGCDMO CSCC[C@H](C)[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000079437948 640402666 /nfs/dbraw/zinc/40/26/66/640402666.db2.gz WECHWXKSBBJKNT-JTQLQIEISA-N 1 1 299.411 3.307 20 10 CGCDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000245689700 640631706 /nfs/dbraw/zinc/63/17/06/640631706.db2.gz BFOZMZKCTXYFQC-YRGRVCCFSA-N 1 1 289.375 3.274 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2ccccc2O)c(OC)c1 ZINC000091956426 640727069 /nfs/dbraw/zinc/72/70/69/640727069.db2.gz NQFQLNAGMYZYIO-UHFFFAOYSA-N 1 1 287.359 3.041 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c1 ZINC000092541191 640739348 /nfs/dbraw/zinc/73/93/48/640739348.db2.gz KTEIDHYLMQEZGQ-TXEJJXNPSA-N 1 1 281.421 3.117 20 10 CGCDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000093149626 640758299 /nfs/dbraw/zinc/75/82/99/640758299.db2.gz VFVKDMOGYZRVSM-GFCCVEGCSA-N 1 1 297.354 3.240 20 10 CGCDMO COc1cccc(C[N@@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)c1O ZINC000093871837 640784476 /nfs/dbraw/zinc/78/44/76/640784476.db2.gz RYPVKTRKERSEQE-YOEHRIQHSA-N 1 1 293.407 3.036 20 10 CGCDMO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCCN(C)CC1 ZINC001254529093 806441656 /nfs/dbraw/zinc/44/16/56/806441656.db2.gz CVCBGAQNKBJNHR-GOSISDBHSA-N 1 1 289.467 3.059 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCCN(C)CC1 ZINC001254529093 806441662 /nfs/dbraw/zinc/44/16/62/806441662.db2.gz CVCBGAQNKBJNHR-GOSISDBHSA-N 1 1 289.467 3.059 20 10 CGCDMO CCCC[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001255312944 806606239 /nfs/dbraw/zinc/60/62/39/806606239.db2.gz ZKGHBFWJCDLVBP-MRXNPFEDSA-N 1 1 289.467 3.107 20 10 CGCDMO CCCN1CCC([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000037236861 798863692 /nfs/dbraw/zinc/86/36/92/798863692.db2.gz JEGGUDAIMAZDTE-HNNXBMFYSA-N 1 1 289.467 3.278 20 10 CGCDMO CCC(CC)[C@@H](CNCc1ccc2c(c1)CCO2)[NH+](C)C ZINC000037362937 798866207 /nfs/dbraw/zinc/86/62/07/798866207.db2.gz QSBVGZFRMNBVIM-QGZVFWFLSA-N 1 1 290.451 3.078 20 10 CGCDMO CCC[N@H+](CC)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000037323062 798866539 /nfs/dbraw/zinc/86/65/39/798866539.db2.gz BZRMWRCQAPSJPL-UHFFFAOYSA-N 1 1 269.772 3.480 20 10 CGCDMO CCC[N@@H+](CC)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000037323062 798866542 /nfs/dbraw/zinc/86/65/42/798866542.db2.gz BZRMWRCQAPSJPL-UHFFFAOYSA-N 1 1 269.772 3.480 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CC(C)C)c1O ZINC000037323166 798866592 /nfs/dbraw/zinc/86/65/92/798866592.db2.gz LFWQSTVINPRDBX-UHFFFAOYSA-N 1 1 269.772 3.336 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)CC(C)C)c1O ZINC000037323166 798866594 /nfs/dbraw/zinc/86/65/94/798866594.db2.gz LFWQSTVINPRDBX-UHFFFAOYSA-N 1 1 269.772 3.336 20 10 CGCDMO CC[NH+](CC)C[C@@H](C)NCc1ccc(N2CCCC2)cc1 ZINC000045692694 798890869 /nfs/dbraw/zinc/89/08/69/798890869.db2.gz YJRLVPHJVQRSET-MRXNPFEDSA-N 1 1 289.467 3.107 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)C[C@H]2CCCCO2)cc1C ZINC000125349684 799001455 /nfs/dbraw/zinc/00/14/55/799001455.db2.gz HPAQPZLOSWHZSC-OAHLLOKOSA-N 1 1 263.381 3.010 20 10 CGCDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccccc1O ZINC000156040442 799065458 /nfs/dbraw/zinc/06/54/58/799065458.db2.gz IKRCNILHQMIHLP-AWEZNQCLSA-N 1 1 285.387 3.464 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]2CC(C)C)c1 ZINC000396927829 799510992 /nfs/dbraw/zinc/51/09/92/799510992.db2.gz VYUPLZWUUVTNMZ-CQSZACIVSA-N 1 1 263.381 3.411 20 10 CGCDMO CCOc1cccc(C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c1O ZINC000399625468 799539781 /nfs/dbraw/zinc/53/97/81/799539781.db2.gz SOEAILJQPCQSSJ-YNEHKIRRSA-N 1 1 263.381 3.267 20 10 CGCDMO CCOc1cccc(C[N@H+]2C[C@@H](CC)OC[C@@H]2CC)c1O ZINC000403906015 799572426 /nfs/dbraw/zinc/57/24/26/799572426.db2.gz WWPGRYCSRWKPEE-LSDHHAIUSA-N 1 1 293.407 3.180 20 10 CGCDMO CCc1cccc(CNCC[NH+](C(C)C)C(C)C)c1O ZINC000691464852 799784249 /nfs/dbraw/zinc/78/42/49/799784249.db2.gz KROTYQLINMZIJJ-UHFFFAOYSA-N 1 1 278.440 3.163 20 10 CGCDMO CCc1cccc(C[N@@H+](C)CCCOC(C)C)c1O ZINC000692108400 799790976 /nfs/dbraw/zinc/79/09/76/799790976.db2.gz VZQYRQPAFWTVGV-UHFFFAOYSA-N 1 1 265.397 3.202 20 10 CGCDMO COC[C@H]1CCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000696570672 799841698 /nfs/dbraw/zinc/84/16/98/799841698.db2.gz FTHABJSDIWSKPN-CQSZACIVSA-N 1 1 271.360 3.156 20 10 CGCDMO CC(C)OC1CCC([NH2+]Cc2cccc(F)c2O)CC1 ZINC000703802072 799929803 /nfs/dbraw/zinc/92/98/03/799929803.db2.gz NERKBMXCXVKONP-UHFFFAOYSA-N 1 1 281.371 3.357 20 10 CGCDMO CCSCC[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708465178 799988885 /nfs/dbraw/zinc/98/88/85/799988885.db2.gz DONIPXVNHZEWRX-SECBINFHSA-N 1 1 275.364 3.292 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C[C@H]1C ZINC000708424644 799989260 /nfs/dbraw/zinc/98/92/60/799989260.db2.gz ZBLQKABDBNZXQY-NXEZZACHSA-N 1 1 255.308 3.148 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C[C@H]1C ZINC000708424644 799989264 /nfs/dbraw/zinc/98/92/64/799989264.db2.gz ZBLQKABDBNZXQY-NXEZZACHSA-N 1 1 255.308 3.148 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C[C@H]1C ZINC000708424644 799989269 /nfs/dbraw/zinc/98/92/69/799989269.db2.gz ZBLQKABDBNZXQY-NXEZZACHSA-N 1 1 255.308 3.148 20 10 CGCDMO CCC[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000708478715 799990111 /nfs/dbraw/zinc/99/01/11/799990111.db2.gz FPLRRMGPMHZDCP-ZDUSSCGKSA-N 1 1 263.381 3.413 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC001256015074 806804917 /nfs/dbraw/zinc/80/49/17/806804917.db2.gz CHVPDQCWRZPQQC-FUHWJXTLSA-N 1 1 288.435 3.144 20 10 CGCDMO COCC(C)(C)CC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000718795223 800223463 /nfs/dbraw/zinc/22/34/63/800223463.db2.gz PLARGYIOKBKWEK-NSHDSACASA-N 1 1 269.360 3.245 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)c1ccc(F)cc1O ZINC000722337585 800315803 /nfs/dbraw/zinc/31/58/03/800315803.db2.gz NINYMTXAOXKBKC-WNMQOVRZSA-N 1 1 279.355 3.140 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@](CO)(C(C)C)C2)c(Cl)c1 ZINC001118012066 802519196 /nfs/dbraw/zinc/51/91/96/802519196.db2.gz MFDAADDVQORZJX-INIZCTEOSA-N 1 1 297.826 3.194 20 10 CGCDMO Nc1ccc(C[N@H+](Cc2cccc(O)c2)CC2CC2)cc1 ZINC001120263768 802737561 /nfs/dbraw/zinc/73/75/61/802737561.db2.gz UUYYRUBSODGZPT-UHFFFAOYSA-N 1 1 282.387 3.387 20 10 CGCDMO Cc1cc(C[N@@H+]2C[C@H](O)CC[C@H]2C)c(C)n1-c1ccccc1 ZINC001137854404 803785672 /nfs/dbraw/zinc/78/56/72/803785672.db2.gz UZKSUHPBKNXTJP-AUUYWEPGSA-N 1 1 298.430 3.439 20 10 CGCDMO Cc1cc(C[NH+]2CC3(C2)CCCO3)c(C)n1-c1ccccc1 ZINC001137856316 803786137 /nfs/dbraw/zinc/78/61/37/803786137.db2.gz YVNDKLCSACSMLP-UHFFFAOYSA-N 1 1 296.414 3.459 20 10 CGCDMO COC[C@H]1CC[N@H+]1Cc1cc(C)n(-c2ccccc2)c1C ZINC001137859430 803788095 /nfs/dbraw/zinc/78/80/95/803788095.db2.gz XYOWAPUZLKMFDP-GOSISDBHSA-N 1 1 284.403 3.315 20 10 CGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CC[C@]12CCOC2 ZINC001138222425 803874274 /nfs/dbraw/zinc/87/42/74/803874274.db2.gz XJIMXPBJVGKBKG-GOSISDBHSA-N 1 1 286.419 3.042 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CC[C@]4(CC4(F)F)C3)ccc21 ZINC001138358766 803902327 /nfs/dbraw/zinc/90/23/27/803902327.db2.gz ZLXJAOMDXJHKRM-INIZCTEOSA-N 1 1 292.373 3.300 20 10 CGCDMO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1cccnc1F ZINC001138789267 804040058 /nfs/dbraw/zinc/04/00/58/804040058.db2.gz UEMDSHJXBIMOOS-UHFFFAOYSA-N 1 1 299.393 3.453 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1cccnc1F ZINC001138789267 804040065 /nfs/dbraw/zinc/04/00/65/804040065.db2.gz UEMDSHJXBIMOOS-UHFFFAOYSA-N 1 1 299.393 3.453 20 10 CGCDMO C[N@@H+](Cc1ccc2nsnc2c1)Cc1ccccc1O ZINC001139216382 804165063 /nfs/dbraw/zinc/16/50/63/804165063.db2.gz XJIRUYRZMDVUQR-UHFFFAOYSA-N 1 1 285.372 3.029 20 10 CGCDMO CC[N@@H+](Cc1ccc2nsnc2c1)Cc1ccccc1O ZINC001139214261 804165625 /nfs/dbraw/zinc/16/56/25/804165625.db2.gz JGYZIUNAHXWOOL-UHFFFAOYSA-N 1 1 299.399 3.419 20 10 CGCDMO CCCCOC1C[NH+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139670572 804248585 /nfs/dbraw/zinc/24/85/85/804248585.db2.gz CSKPQWTZJRBTES-UHFFFAOYSA-N 1 1 276.424 3.062 20 10 CGCDMO CC1(C)C[N@@H+](Cc2cc(F)ccc2O)CCC1(F)F ZINC001140057673 804366310 /nfs/dbraw/zinc/36/63/10/804366310.db2.gz JOHNHGOQDGJCTK-UHFFFAOYSA-N 1 1 273.298 3.399 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC001140467283 804442686 /nfs/dbraw/zinc/44/26/86/804442686.db2.gz UFSZUAQJGXJWGB-LBPRGKRZSA-N 1 1 288.778 3.430 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)[C@H](C)C1 ZINC001140468604 804443078 /nfs/dbraw/zinc/44/30/78/804443078.db2.gz QGULFBUZMXDUMM-ZWNOBZJWSA-N 1 1 269.772 3.045 20 10 CGCDMO C[N@H+](Cc1c([O-])cc(F)cc1F)C[C@H]1CC1(C)C ZINC001140584545 804468344 /nfs/dbraw/zinc/46/83/44/804468344.db2.gz WJPUXGXKQUWAHQ-SECBINFHSA-N 1 1 255.308 3.148 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@](C)(F)CC2)c1 ZINC001140617107 804476326 /nfs/dbraw/zinc/47/63/26/804476326.db2.gz FEHMCKQFQSTION-OAHLLOKOSA-N 1 1 251.345 3.415 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](Oc3ccncc3)C2)c1 ZINC001140624529 804478196 /nfs/dbraw/zinc/47/81/96/804478196.db2.gz ZWTFGCUSMLFODL-QGZVFWFLSA-N 1 1 298.386 3.139 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CCC(=O)[C@@H](C)C23CCCC3)c1 ZINC001140624158 804478739 /nfs/dbraw/zinc/47/87/39/804478739.db2.gz IXTOXXDVFMHLSW-CQSZACIVSA-N 1 1 287.403 3.424 20 10 CGCDMO CCCC[N@@H+](CCC)Cc1ccc(O)c(C)c1O ZINC001140745778 804503639 /nfs/dbraw/zinc/50/36/39/804503639.db2.gz NHHIHNXQANYFRX-UHFFFAOYSA-N 1 1 251.370 3.418 20 10 CGCDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc(O)c(C)c2O)cn1 ZINC001140747504 804504004 /nfs/dbraw/zinc/50/40/04/804504004.db2.gz CCVWZUQQUYSXBD-MRXNPFEDSA-N 1 1 298.386 3.447 20 10 CGCDMO Cc1c(O)ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C)c1O ZINC001140747757 804504629 /nfs/dbraw/zinc/50/46/29/804504629.db2.gz LLYDZUFCLKOZJB-LBPRGKRZSA-N 1 1 283.371 3.353 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C(C)C)c(O)c1 ZINC001140851930 804533223 /nfs/dbraw/zinc/53/32/23/804533223.db2.gz UVJUWWLVVOZWNJ-UHFFFAOYSA-N 1 1 250.386 3.079 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)C2CC(C)C2)c(O)c1 ZINC001140850343 804533773 /nfs/dbraw/zinc/53/37/73/804533773.db2.gz IYQBHNONXHCEPR-UHFFFAOYSA-N 1 1 276.424 3.469 20 10 CGCDMO Cc1ccc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c(O)c1 ZINC001140947751 804555413 /nfs/dbraw/zinc/55/54/13/804555413.db2.gz DHTGEHQMPDCWJF-BETUJISGSA-N 1 1 267.319 3.178 20 10 CGCDMO C[N@H+](Cc1ccno1)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078121 804585242 /nfs/dbraw/zinc/58/52/42/804585242.db2.gz LTZXHNSDVGGWFZ-UHFFFAOYSA-N 1 1 297.402 3.005 20 10 CGCDMO C[N@@H+](Cc1ccno1)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078121 804585247 /nfs/dbraw/zinc/58/52/47/804585247.db2.gz LTZXHNSDVGGWFZ-UHFFFAOYSA-N 1 1 297.402 3.005 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCN3C)C[C@H]1C ZINC001141140444 804597312 /nfs/dbraw/zinc/59/73/12/804597312.db2.gz MFVPKSMVVXWCCK-LSDHHAIUSA-N 1 1 288.435 3.383 20 10 CGCDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2cc(O)ccc2O)cc1 ZINC001141159184 804599829 /nfs/dbraw/zinc/59/98/29/804599829.db2.gz ASPWYCWCFXGJIA-GFCCVEGCSA-N 1 1 287.359 3.299 20 10 CGCDMO C[N@@H+](Cc1cc(O)ccc1O)C12CC3CC(CC(C3)C1)C2 ZINC001141158743 804600021 /nfs/dbraw/zinc/60/00/21/804600021.db2.gz LYVDJGBFMHOWBU-UHFFFAOYSA-N 1 1 287.403 3.498 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)c1 ZINC001141159089 804600477 /nfs/dbraw/zinc/60/04/77/804600477.db2.gz YMQXEKMXRZQQKL-QGZVFWFLSA-N 1 1 299.370 3.141 20 10 CGCDMO COc1ccc([C@@H]2CC[N@@H+](Cc3cc(O)ccc3O)C2)cc1 ZINC001141161728 804601727 /nfs/dbraw/zinc/60/17/27/804601727.db2.gz VPFTWOQPMRJGIM-CQSZACIVSA-N 1 1 299.370 3.096 20 10 CGCDMO Oc1ccc(O)c(C[N@@H+](Cc2ccccc2)C2CC2)c1 ZINC001141160550 804602255 /nfs/dbraw/zinc/60/22/55/804602255.db2.gz DYKRIEKWGJKBCJ-UHFFFAOYSA-N 1 1 269.344 3.262 20 10 CGCDMO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142501844 804725975 /nfs/dbraw/zinc/72/59/75/804725975.db2.gz BXMAFXHREBVZAQ-AOOOYVTPSA-N 1 1 255.308 3.433 20 10 CGCDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142501844 804725977 /nfs/dbraw/zinc/72/59/77/804725977.db2.gz BXMAFXHREBVZAQ-AOOOYVTPSA-N 1 1 255.308 3.433 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC001142509153 804729004 /nfs/dbraw/zinc/72/90/04/804729004.db2.gz YWKKFBWHHDPZFQ-GHMZBOCLSA-N 1 1 267.319 3.292 20 10 CGCDMO CC[N@@H+](Cc1cccc(C(C)(C)C)c1O)CC(C)(C)O ZINC001143112103 804803899 /nfs/dbraw/zinc/80/38/99/804803899.db2.gz KRCMCLMIPABWSE-UHFFFAOYSA-N 1 1 279.424 3.283 20 10 CGCDMO CC(C)(C)c1cc(O)c(C[N@H+]2CCC[C@H](O)C2)cc1Cl ZINC001248880827 805032071 /nfs/dbraw/zinc/03/20/71/805032071.db2.gz NNQPMVAWNGSNNJ-LBPRGKRZSA-N 1 1 297.826 3.300 20 10 CGCDMO CCCC[N@@H+](CCC)Cc1ccc(CC(=O)OC)cc1O ZINC001249201362 805111950 /nfs/dbraw/zinc/11/19/50/805111950.db2.gz PPZZMMNKXUXOAY-UHFFFAOYSA-N 1 1 293.407 3.120 20 10 CGCDMO C[N@@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)C1CC1 ZINC001249223602 805114783 /nfs/dbraw/zinc/11/47/83/805114783.db2.gz JGFBRANHANZYNH-UHFFFAOYSA-N 1 1 259.349 3.171 20 10 CGCDMO CC1(C)C=Cc2c(O)c(C[N@H+]3CC[C@H](F)C3)ccc2O1 ZINC001249223223 805115001 /nfs/dbraw/zinc/11/50/01/805115001.db2.gz BRHBVXVQJXYLLY-LBPRGKRZSA-N 1 1 277.339 3.120 20 10 CGCDMO Cc1cc(C[N@@H+]2CC[C@H]2C)c(O)cc1Br ZINC001250120454 805427861 /nfs/dbraw/zinc/42/78/61/805427861.db2.gz DWPFKLWJXOKJPF-SECBINFHSA-N 1 1 270.170 3.057 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)[C@H]2CCCSC2)cc1 ZINC001257684536 807215315 /nfs/dbraw/zinc/21/53/15/807215315.db2.gz UWVZYARCVZWGOF-HNNXBMFYSA-N 1 1 264.438 3.080 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)C1CCC([NH+](C)C)CC1 ZINC001168327972 807384826 /nfs/dbraw/zinc/38/48/26/807384826.db2.gz VUIVGANOCQGLCA-UHFFFAOYSA-N 1 1 276.424 3.087 20 10 CGCDMO CC[N@H+](Cc1ccccc1[O-])C1CCC([NH+](C)C)CC1 ZINC001168327972 807384833 /nfs/dbraw/zinc/38/48/33/807384833.db2.gz VUIVGANOCQGLCA-UHFFFAOYSA-N 1 1 276.424 3.087 20 10 CGCDMO CC[N@@H+](Cc1ccccc1[O-])C1CCC([NH+](C)C)CC1 ZINC001168327972 807384840 /nfs/dbraw/zinc/38/48/40/807384840.db2.gz VUIVGANOCQGLCA-UHFFFAOYSA-N 1 1 276.424 3.087 20 10 CGCDMO Oc1cccc2c1C[N@H+]([C@@H]1CCc3cccc(F)c3C1)CC2 ZINC001171005934 807958400 /nfs/dbraw/zinc/95/84/00/807958400.db2.gz UBESJGJVHQVZNP-OAHLLOKOSA-N 1 1 297.373 3.447 20 10 CGCDMO CCC[C@]1(CO)CCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001181335720 810047504 /nfs/dbraw/zinc/04/75/04/810047504.db2.gz FLDGFDSBKWZSIY-OAHLLOKOSA-N 1 1 283.799 3.173 20 10 CGCDMO Oc1cc(Cl)ccc1C[NH2+]CC1CC(F)(F)C1 ZINC001182183055 810097994 /nfs/dbraw/zinc/09/79/94/810097994.db2.gz HGTFTLHDHQWOOG-UHFFFAOYSA-N 1 1 261.699 3.181 20 10 CGCDMO Oc1c(F)cccc1C[NH2+]Cc1cccc2[nH]ccc21 ZINC001183480479 810149930 /nfs/dbraw/zinc/14/99/30/810149930.db2.gz BGLUKEHBTUFDCY-UHFFFAOYSA-N 1 1 270.307 3.302 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@]12C[C@H]1CCC2 ZINC001183938492 810171211 /nfs/dbraw/zinc/17/12/11/810171211.db2.gz DFFKKWQVMAUIEI-YGRLFVJLSA-N 1 1 269.747 3.465 20 10 CGCDMO Oc1ccccc1C[N@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001203558310 812392277 /nfs/dbraw/zinc/39/22/77/812392277.db2.gz CQPIBQRRQDFSPD-GASCZTMLSA-N 1 1 265.356 3.479 20 10 CGCDMO COc1ccc(C[N@H+]2CCCC3(CCC3)C2)c(O)c1 ZINC001203634418 812412445 /nfs/dbraw/zinc/41/24/45/812412445.db2.gz FCMBWEILSAXZFA-UHFFFAOYSA-N 1 1 261.365 3.167 20 10 CGCDMO C[C@]1(CF)CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203651705 812414814 /nfs/dbraw/zinc/41/48/14/812414814.db2.gz SYEKEENLBJDETO-CYBMUJFWSA-N 1 1 257.736 3.227 20 10 CGCDMO COc1cccc([C@@H]2CC[N@@H+](Cc3ccc(O)c(O)c3)C2)c1 ZINC001203878787 812477835 /nfs/dbraw/zinc/47/78/35/812477835.db2.gz BSGLIPWTPDKKLT-OAHLLOKOSA-N 1 1 299.370 3.096 20 10 CGCDMO Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203878663 812478743 /nfs/dbraw/zinc/47/87/43/812478743.db2.gz JVUYRNZZJCCMQO-OAHLLOKOSA-N 1 1 299.370 3.060 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CO)cc1 ZINC001203935334 812496021 /nfs/dbraw/zinc/49/60/21/812496021.db2.gz FBYGCHPPWADZEP-YJBOKZPZSA-N 1 1 290.451 3.126 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1ccc(F)c(F)c1)CC2 ZINC001204228388 812578770 /nfs/dbraw/zinc/57/87/70/812578770.db2.gz ONRXYRUUKAEALA-UHFFFAOYSA-N 1 1 275.298 3.229 20 10 CGCDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204241815 812583527 /nfs/dbraw/zinc/58/35/27/812583527.db2.gz JAFRXSHWJXSZHN-HOCLYGCPSA-N 1 1 298.430 3.251 20 10 CGCDMO C[N@@H+](Cc1cccc(Cl)c1)Cc1ccc(O)cc1O ZINC001204275303 812594371 /nfs/dbraw/zinc/59/43/71/812594371.db2.gz OHXBONXTLCJBQE-UHFFFAOYSA-N 1 1 277.751 3.383 20 10 CGCDMO Oc1ccc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c(O)c1 ZINC001204278664 812595304 /nfs/dbraw/zinc/59/53/04/812595304.db2.gz HJQSKXYXIUBELS-OLZOCXBDSA-N 1 1 261.365 3.110 20 10 CGCDMO C[C@@]1(CF)CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204324498 812612496 /nfs/dbraw/zinc/61/24/96/812612496.db2.gz LXZZPCJNZVZQFP-KRWDZBQOSA-N 1 1 276.399 3.468 20 10 CGCDMO CC1(C)C[N@H+](Cc2ccc(N3CCCC3)cc2)CCC1=O ZINC001204322586 812612711 /nfs/dbraw/zinc/61/27/11/812612711.db2.gz SQNIISLCQKNBDE-UHFFFAOYSA-N 1 1 286.419 3.088 20 10 CGCDMO CC1(C)C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCC1=O ZINC001204322586 812612719 /nfs/dbraw/zinc/61/27/19/812612719.db2.gz SQNIISLCQKNBDE-UHFFFAOYSA-N 1 1 286.419 3.088 20 10 CGCDMO CCCO[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204327447 812614075 /nfs/dbraw/zinc/61/40/75/812614075.db2.gz UQKJDUZDIUVBII-GOSISDBHSA-N 1 1 288.435 3.288 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)Cc2ccccc2F)c(O)c1 ZINC001204713837 812714851 /nfs/dbraw/zinc/71/48/51/812714851.db2.gz IYFMELWMQNXSHB-UHFFFAOYSA-N 1 1 289.350 3.480 20 10 CGCDMO CC[C@@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)C[C@H](C)O1 ZINC001204899892 812769216 /nfs/dbraw/zinc/76/92/16/812769216.db2.gz UMFPWBOIJLGSIK-WCQYABFASA-N 1 1 283.799 3.353 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2O)C[C@H](C)O1 ZINC001204899892 812769222 /nfs/dbraw/zinc/76/92/22/812769222.db2.gz UMFPWBOIJLGSIK-WCQYABFASA-N 1 1 283.799 3.353 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(N)cc2)Cc2ccccc21 ZINC001205164946 812895587 /nfs/dbraw/zinc/89/55/87/812895587.db2.gz XSHZNRSORQOQOF-ZDUSSCGKSA-N 1 1 252.361 3.388 20 10 CGCDMO C[C@@H]1CC[C@@H](CN)[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001205829738 813100391 /nfs/dbraw/zinc/10/03/91/813100391.db2.gz PNVXKOQDLMELRE-HIFRSBDPSA-N 1 1 284.403 3.105 20 10 CGCDMO C[C@H]1CC[C@H](CN)[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001205840884 813104329 /nfs/dbraw/zinc/10/43/29/813104329.db2.gz INJTUKCXMNTNPO-XJKSGUPXSA-N 1 1 290.451 3.249 20 10 CGCDMO C[C@H]1CC[C@H](CN)[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001205840884 813104334 /nfs/dbraw/zinc/10/43/34/813104334.db2.gz INJTUKCXMNTNPO-XJKSGUPXSA-N 1 1 290.451 3.249 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001206645757 813385067 /nfs/dbraw/zinc/38/50/67/813385067.db2.gz NLZHUCKMIBWSQO-BBBLOLIVSA-N 1 1 289.272 3.194 20 10 CGCDMO COc1cc(C[N@@H+]2Cc3ccccc3[C@@H](C)C2)c(O)cc1O ZINC001231634182 818143913 /nfs/dbraw/zinc/14/39/13/818143913.db2.gz INTQYOODOTYKCF-LBPRGKRZSA-N 1 1 299.370 3.226 20 10 CGCDMO CCO[C@H]1CCC[N@@H+](Cc2c(C)cc(C)cc2O)C1 ZINC001231843883 818185887 /nfs/dbraw/zinc/18/58/87/818185887.db2.gz CMJDNTBLMHCQSE-AWEZNQCLSA-N 1 1 263.381 3.010 20 10 CGCDMO COC[C@H]1CCCC[N@H+]1Cc1c(C)cc(C)cc1O ZINC001231841974 818186406 /nfs/dbraw/zinc/18/64/06/818186406.db2.gz IXBDULYNEOACSE-CQSZACIVSA-N 1 1 263.381 3.010 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCc3occc3C2)c(O)c1 ZINC001231849681 818188825 /nfs/dbraw/zinc/18/88/25/818188825.db2.gz UQILWJDNWWOJBC-UHFFFAOYSA-N 1 1 257.333 3.160 20 10 CGCDMO Cc1cc(C)c(C[N@@H+](C)C[C@@H]2Cc3ccccc3O2)c(O)c1 ZINC001231851058 818189039 /nfs/dbraw/zinc/18/90/39/818189039.db2.gz YSVHTKUYHNBGHC-INIZCTEOSA-N 1 1 297.398 3.445 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@](C)(F)CC1 ZINC001231849240 818189473 /nfs/dbraw/zinc/18/94/73/818189473.db2.gz PQHJASUZXCCUNN-QGZVFWFLSA-N 1 1 294.414 3.475 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@](C)(O)[C@H](C)C2)cc1Cl ZINC001231867962 818192192 /nfs/dbraw/zinc/19/21/92/818192192.db2.gz OTYCZOPBUZYWNH-MLGOLLRUSA-N 1 1 297.826 3.337 20 10 CGCDMO C[C@H]1CCCC[N@@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232259536 818295428 /nfs/dbraw/zinc/29/54/28/818295428.db2.gz KQUGALXGLHMTAD-JTQLQIEISA-N 1 1 269.772 3.373 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCCC23CC3)cc1Cl ZINC001232267111 818296915 /nfs/dbraw/zinc/29/69/15/818296915.db2.gz WPDXOOPGLYNHDB-UHFFFAOYSA-N 1 1 267.756 3.183 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)C2(CC2)C1 ZINC001232263567 818297359 /nfs/dbraw/zinc/29/73/59/818297359.db2.gz ROPDRFSRWBHTCO-VIFPVBQESA-N 1 1 267.756 3.126 20 10 CGCDMO COc1cc(O)c(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)cc1Cl ZINC001232271135 818299928 /nfs/dbraw/zinc/29/99/28/818299928.db2.gz NZAWNJZBPIWYBO-ZYHUDNBSSA-N 1 1 299.798 3.054 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)c(O)cc2O)[C@H](C)C1 ZINC001232269245 818300715 /nfs/dbraw/zinc/30/07/15/818300715.db2.gz YTUXCPUCURITKK-NXEZZACHSA-N 1 1 269.772 3.372 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c(O)c1 ZINC001232834827 818451900 /nfs/dbraw/zinc/45/19/00/818451900.db2.gz NRERYWMFAHRRDV-QGZVFWFLSA-N 1 1 297.402 3.190 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc3c2CCO3)cc1 ZINC001233277447 818562600 /nfs/dbraw/zinc/56/26/00/818562600.db2.gz CQSJMFOKXOPBTN-UHFFFAOYSA-N 1 1 296.414 3.320 20 10 CGCDMO COC[C@@H]1CCC[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233283954 818566357 /nfs/dbraw/zinc/56/63/57/818566357.db2.gz CCYUMFYNFZNXHF-HNNXBMFYSA-N 1 1 277.408 3.301 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[NH+]2CC3(C2)CCCCO3)c1 ZINC001233284469 818567186 /nfs/dbraw/zinc/56/71/86/818567186.db2.gz VTEZSBKZVABOKV-UHFFFAOYSA-N 1 1 289.419 3.445 20 10 CGCDMO CN(C)[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286015 818568328 /nfs/dbraw/zinc/56/83/28/818568328.db2.gz AWKPNHSWRJFHIG-MRXNPFEDSA-N 1 1 290.451 3.216 20 10 CGCDMO CN(C)[C@@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286015 818568334 /nfs/dbraw/zinc/56/83/34/818568334.db2.gz AWKPNHSWRJFHIG-MRXNPFEDSA-N 1 1 290.451 3.216 20 10 CGCDMO COC1CC[NH+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001233416069 818615312 /nfs/dbraw/zinc/61/53/12/818615312.db2.gz VOPXQODGCAOCOZ-UHFFFAOYSA-N 1 1 289.297 3.022 20 10 CGCDMO CC(C)OC1C[NH+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455328 818623923 /nfs/dbraw/zinc/62/39/23/818623923.db2.gz GDJKLNZAYWITCJ-UHFFFAOYSA-N 1 1 289.297 3.020 20 10 CGCDMO C[N@H+](Cc1cccc(OC(F)(F)F)c1O)CC1CC1 ZINC001233727383 818692037 /nfs/dbraw/zinc/69/20/37/818692037.db2.gz MMAQKUSNPUIEGI-UHFFFAOYSA-N 1 1 275.270 3.133 20 10 CGCDMO Cc1c(CN2CCC[C@@]3(CC[NH2+]C3)C2)c2ccccc2n1C ZINC001234994680 818973051 /nfs/dbraw/zinc/97/30/51/818973051.db2.gz VQWISQUCZNNTAL-IBGZPJMESA-N 1 1 297.446 3.062 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2O)CC[C@@]1(C)O ZINC001235674885 819135638 /nfs/dbraw/zinc/13/56/38/819135638.db2.gz HVYHXXATSWLEQM-SCLBCKFNSA-N 1 1 291.435 3.283 20 10 CGCDMO C[N@H+](CCC1CC[NH2+]CC1)Cc1ccc2ccccc2c1[O-] ZINC001235716771 819150558 /nfs/dbraw/zinc/15/05/58/819150558.db2.gz KNLBLEXZYRNBIV-UHFFFAOYSA-N 1 1 298.430 3.367 20 10 CGCDMO C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc2ccccc2c1[O-] ZINC001235716771 819150562 /nfs/dbraw/zinc/15/05/62/819150562.db2.gz KNLBLEXZYRNBIV-UHFFFAOYSA-N 1 1 298.430 3.367 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H]3C[C@H]32)c(Cl)c1 ZINC001236807496 819602870 /nfs/dbraw/zinc/60/28/70/819602870.db2.gz HBBMNEVVKJZLFR-TVQRCGJNSA-N 1 1 267.756 3.039 20 10 CGCDMO COC[C@H]1CC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236826496 819610514 /nfs/dbraw/zinc/61/05/14/819610514.db2.gz LIABNMWALPSOPU-ZDUSSCGKSA-N 1 1 271.360 3.014 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001236830434 819611636 /nfs/dbraw/zinc/61/16/36/819611636.db2.gz ALXDCGBSCVIFRY-CRAIPNDOSA-N 1 1 283.371 3.156 20 10 CGCDMO CC(C)(C)N1CC[NH+](Cc2cc3ccccc3cc2O)CC1 ZINC001236833206 819612766 /nfs/dbraw/zinc/61/27/66/819612766.db2.gz PUNATMCKOHBQKG-UHFFFAOYSA-N 1 1 298.430 3.462 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@](C)(O)CC2)c(O)c1 ZINC001237046568 819651131 /nfs/dbraw/zinc/65/11/31/819651131.db2.gz UCEFHZIILBQRHM-KRWDZBQOSA-N 1 1 277.408 3.253 20 10 CGCDMO CC(C)c1ccc(C[N@@H+]2CC[C@H](N3CCCC3)C2)c(O)c1 ZINC001237053518 819654603 /nfs/dbraw/zinc/65/46/03/819654603.db2.gz LZTPRJYMBGBXBH-KRWDZBQOSA-N 1 1 288.435 3.186 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CC[C@H](N3CCCC3)C2)c(O)c1 ZINC001237053518 819654605 /nfs/dbraw/zinc/65/46/05/819654605.db2.gz LZTPRJYMBGBXBH-KRWDZBQOSA-N 1 1 288.435 3.186 20 10 CGCDMO CC1(O)CC[NH+](Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001237078408 819662386 /nfs/dbraw/zinc/66/23/86/819662386.db2.gz SAGMYGAFVPUKPW-UHFFFAOYSA-N 1 1 290.190 3.046 20 10 CGCDMO Oc1c(F)cc(Cl)cc1CN1CC[NH2+]C2=CCCC[C@H]21 ZINC001237228592 819706761 /nfs/dbraw/zinc/70/67/61/819706761.db2.gz KNTVOPZUQYYHBU-CQSZACIVSA-N 1 1 296.773 3.026 20 10 CGCDMO CCC[N@@H+](Cc1c(C)cccc1O)C1CCOCC1 ZINC001237491875 819764644 /nfs/dbraw/zinc/76/46/44/819764644.db2.gz MUCAJPJFTSDTLR-UHFFFAOYSA-N 1 1 263.381 3.092 20 10 CGCDMO Oc1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001237646390 819797114 /nfs/dbraw/zinc/79/71/14/819797114.db2.gz OGNTZQRUHIDADB-CALCHBBNSA-N 1 1 299.345 3.171 20 10 CGCDMO COc1cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c(O)c(OC)c1 ZINC001237671483 819804753 /nfs/dbraw/zinc/80/47/53/819804753.db2.gz CEXWIMAZDLMWTE-BETUJISGSA-N 1 1 291.391 3.031 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c1O ZINC001237680201 819805335 /nfs/dbraw/zinc/80/53/35/819805335.db2.gz PIYQVSOPDDXJEY-BETUJISGSA-N 1 1 279.767 3.050 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@](C)(O)CC2)c1O ZINC001237681366 819805675 /nfs/dbraw/zinc/80/56/75/819805675.db2.gz NIFBZTXSYUDYKZ-MLGOLLRUSA-N 1 1 297.826 3.337 20 10 CGCDMO CC[N@@H+](C)C1CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC001237690502 819809520 /nfs/dbraw/zinc/80/95/20/819809520.db2.gz YOCFOJWTOMUAAY-UHFFFAOYSA-N 1 1 296.842 3.270 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001237935165 819889824 /nfs/dbraw/zinc/88/98/24/819889824.db2.gz QXULQKSJRYGQNO-BMIGLBTASA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001237935165 819889835 /nfs/dbraw/zinc/88/98/35/819889835.db2.gz QXULQKSJRYGQNO-BMIGLBTASA-N 1 1 299.773 3.186 20 10 CGCDMO CCCO[C@@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237937107 819890086 /nfs/dbraw/zinc/89/00/86/819890086.db2.gz NUBHRAOVOHMLTB-LLVKDONJSA-N 1 1 287.762 3.186 20 10 CGCDMO CCCO[C@@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237937107 819890093 /nfs/dbraw/zinc/89/00/93/819890093.db2.gz NUBHRAOVOHMLTB-LLVKDONJSA-N 1 1 287.762 3.186 20 10 CGCDMO CN(C)c1ccc(C2=CCC[N@@H+](C)C2)cc1C(F)(F)F ZINC001241569949 821955530 /nfs/dbraw/zinc/95/55/30/821955530.db2.gz BHEXZKCYZKKDDM-UHFFFAOYSA-N 1 1 284.325 3.490 20 10 CGCDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(N)cc2)n1 ZINC001345159066 936804579 /nfs/dbraw/zinc/80/45/79/936804579.db2.gz AFDYIOVRMDEADT-KRWDZBQOSA-N 1 1 267.376 3.309 20 10 CGCDMO C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(N)cc1 ZINC001356082888 937152731 /nfs/dbraw/zinc/15/27/31/937152731.db2.gz HFULZHFUEARBLN-GWCFXTLKSA-N 1 1 272.314 3.432 20 10 CGCDMO CS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001323324502 928520072 /nfs/dbraw/zinc/52/00/72/928520072.db2.gz WGGMNZYHOGFINX-JKSUJKDBSA-N 1 1 278.465 3.469 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@](C)(F)[C@@H](F)C2)c1O ZINC001140178342 931956832 /nfs/dbraw/zinc/95/68/32/931956832.db2.gz ISKHDSQWGAPTPB-ZFWWWQNUSA-N 1 1 269.335 3.281 20 10 CGCDMO CC(C)N(CC[NH2+]Cc1ccc(N(C)C)c(F)c1)C(C)C ZINC001460993924 937558605 /nfs/dbraw/zinc/55/86/05/937558605.db2.gz APYUPKGIDPYSBE-UHFFFAOYSA-N 1 1 295.446 3.100 20 10 CGCDMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001462130550 937620072 /nfs/dbraw/zinc/62/00/72/937620072.db2.gz WLIOFAMDDJVHNZ-OAHLLOKOSA-N 1 1 283.799 3.030 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C3CCC3)C2)c1O ZINC001307842794 933006522 /nfs/dbraw/zinc/00/65/22/933006522.db2.gz JEOVFULBRWYPJU-ZDUSSCGKSA-N 1 1 291.366 3.356 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CCCO2)cc1 ZINC001308159644 933061511 /nfs/dbraw/zinc/06/15/11/933061511.db2.gz JKDUQQLVFFGMBA-ZWKOTPCHSA-N 1 1 288.435 3.286 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)[C@H]2CC[C@H](SC)C2)c(O)c1 ZINC001308597337 933140234 /nfs/dbraw/zinc/14/02/34/933140234.db2.gz SAVDTBOVXMICBD-JSGCOSHPSA-N 1 1 295.448 3.425 20 10 CGCDMO Cc1cc(C[N@@H+](Cc2ccccc2O)C2CCCC2)[nH]n1 ZINC001319711928 933919258 /nfs/dbraw/zinc/91/92/58/933919258.db2.gz KXLASGPEYNKONN-UHFFFAOYSA-N 1 1 285.391 3.369 20 10 CGCDMO Cc1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)n[nH]1 ZINC001319711928 933919269 /nfs/dbraw/zinc/91/92/69/933919269.db2.gz KXLASGPEYNKONN-UHFFFAOYSA-N 1 1 285.391 3.369 20 10 CGCDMO Cc1cc(C[N@@H+](Cc2ccccc2O)C2CCCC2)n[nH]1 ZINC001319711928 933919277 /nfs/dbraw/zinc/91/92/77/933919277.db2.gz KXLASGPEYNKONN-UHFFFAOYSA-N 1 1 285.391 3.369 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H]1CCCN(CC)C1)c1ccc(C)cc1O ZINC001321542405 934193549 /nfs/dbraw/zinc/19/35/49/934193549.db2.gz LKNMKSGFFQTHKW-DOTOQJQBSA-N 1 1 290.451 3.473 20 10 CGCDMO Cc1cc(NCc2cc(Cl)ccc2O)nc(C)[nH+]1 ZINC001472825571 937786045 /nfs/dbraw/zinc/78/60/45/937786045.db2.gz NJCWPMAPFRXWOU-UHFFFAOYSA-N 1 1 263.728 3.065 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCCC[C@@H]1N(C)C)c1c(O)cccc1F ZINC001331251133 935361692 /nfs/dbraw/zinc/36/16/92/935361692.db2.gz CAFBOKVWNPEHOA-UBHSHLNASA-N 1 1 280.387 3.055 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](c3nccs3)C2)c1 ZINC001332152734 935444287 /nfs/dbraw/zinc/44/42/87/935444287.db2.gz XANUPQKDMLOQSP-CYBMUJFWSA-N 1 1 288.416 3.455 20 10 CGCDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1ccc(N)cc1 ZINC001336287002 936186090 /nfs/dbraw/zinc/18/60/90/936186090.db2.gz VRSMPCBTSCBZQH-INIZCTEOSA-N 1 1 262.397 3.050 20 10 CGCDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N)cc2)C12CCC2 ZINC001336286672 936186273 /nfs/dbraw/zinc/18/62/73/936186273.db2.gz UEXQUHHUPBRMGM-JKSUJKDBSA-N 1 1 274.408 3.048 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c1 ZINC001474369776 937855515 /nfs/dbraw/zinc/85/55/15/937855515.db2.gz MFFDFHZYCLJAJL-CZUORRHYSA-N 1 1 277.408 3.251 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)c1 ZINC001474504282 937863711 /nfs/dbraw/zinc/86/37/11/937863711.db2.gz FCYYVOWNDQYWDV-RHSMWYFYSA-N 1 1 290.451 3.288 20 10 CGCDMO Oc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1cccc(F)c1O)C2 ZINC001474542291 937865883 /nfs/dbraw/zinc/86/58/83/937865883.db2.gz QGRPUPAULMCCGY-UHFFFAOYSA-N 1 1 299.345 3.284 20 10 CGCDMO Oc1ccc2c(c1)C1(CC1)C[N@H+](Cc1cccc(F)c1O)C2 ZINC001474542291 937865885 /nfs/dbraw/zinc/86/58/85/937865885.db2.gz QGRPUPAULMCCGY-UHFFFAOYSA-N 1 1 299.345 3.284 20 10 CGCDMO CC1(C)CC[C@@H](CC[NH2+]Cc2cc(F)c(F)cc2O)OC1 ZINC001474728882 937877386 /nfs/dbraw/zinc/87/73/86/937877386.db2.gz SQJHFYKGXJYDPS-LBPRGKRZSA-N 1 1 299.361 3.355 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC001560980864 938287721 /nfs/dbraw/zinc/28/77/21/938287721.db2.gz DFJWCRYUSGPINJ-HNNXBMFYSA-N 1 1 297.345 3.252 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H](O)c1ccccc1 ZINC000068973703 345368852 /nfs/dbraw/zinc/36/88/52/345368852.db2.gz WCFLYYPECIUZNI-GOSISDBHSA-N 1 1 285.387 3.338 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000179950999 346254229 /nfs/dbraw/zinc/25/42/29/346254229.db2.gz BJKMARFJIVKNAU-NSHDSACASA-N 1 1 289.297 3.175 20 10 CGCDMO CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])C1 ZINC000191215598 283352632 /nfs/dbraw/zinc/35/26/32/283352632.db2.gz DPOONBJXPYJGKL-NWDGAFQWSA-N 1 1 298.377 3.053 20 10 CGCDMO COc1cccc(C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)c1O ZINC000011813903 368596885 /nfs/dbraw/zinc/59/68/85/368596885.db2.gz ICCXJIUQOFLFSI-ZDUSSCGKSA-N 1 1 299.370 3.184 20 10 CGCDMO CCCO[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2O)CC1 ZINC000093317540 370119038 /nfs/dbraw/zinc/11/90/38/370119038.db2.gz XTXUNDVZPGCTCS-MRXNPFEDSA-N 1 1 277.408 3.482 20 10 CGCDMO CC[C@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(F)cc1O ZINC000287539973 371671709 /nfs/dbraw/zinc/67/17/09/371671709.db2.gz PGARZQIIXWSGDD-HIFRSBDPSA-N 1 1 281.371 3.123 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1ccc(F)cc1O ZINC000287557646 371673337 /nfs/dbraw/zinc/67/33/37/371673337.db2.gz PZRSJQJZPDOXDM-XUJVJEKNSA-N 1 1 281.371 3.245 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](C(C)C)C(C)(C)O)c1ccc(F)cc1O ZINC000287445687 371658714 /nfs/dbraw/zinc/65/87/14/371658714.db2.gz LEBCLFATAKPNFP-HIFRSBDPSA-N 1 1 283.387 3.368 20 10 CGCDMO CCCC[N@H+](C)C[C@H](C)NCc1cccc(OCC)c1O ZINC000288616651 371742246 /nfs/dbraw/zinc/74/22/46/371742246.db2.gz RCEVCHZPRAYFBK-AWEZNQCLSA-N 1 1 294.439 3.001 20 10 CGCDMO CCCC[N@@H+](C)C[C@H](C)NCc1cccc(OCC)c1O ZINC000288616651 371742248 /nfs/dbraw/zinc/74/22/48/371742248.db2.gz RCEVCHZPRAYFBK-AWEZNQCLSA-N 1 1 294.439 3.001 20 10 CGCDMO CC[C@H](O)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000293616390 372425701 /nfs/dbraw/zinc/42/57/01/372425701.db2.gz JKRHUZUDONBZSI-YUMQZZPRSA-N 1 1 278.179 3.121 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1 ZINC000293625924 372429423 /nfs/dbraw/zinc/42/94/23/372429423.db2.gz LAOBKVURCFBGKG-KRWDZBQOSA-N 1 1 287.403 3.092 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](CC)C(C)(C)O)c1ccc(F)cc1O ZINC000294552888 372659638 /nfs/dbraw/zinc/65/96/38/372659638.db2.gz BHVYFPCXIYKJHS-OCCSQVGLSA-N 1 1 269.360 3.122 20 10 CGCDMO CCn1cc([C@@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)cn1 ZINC000294825770 372674558 /nfs/dbraw/zinc/67/45/58/372674558.db2.gz KZGCXFRDXDUTGU-SECBINFHSA-N 1 1 297.761 3.252 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cc(C)c(C)cc2O)CC1(C)C ZINC000295045624 372687808 /nfs/dbraw/zinc/68/78/08/372687808.db2.gz PAHWBKIVTUHCDS-INIZCTEOSA-N 1 1 277.408 3.256 20 10 CGCDMO CS[C@@H]1CCCC[N@@H+](Cc2ccccc2O)C1 ZINC000179586880 373891003 /nfs/dbraw/zinc/89/10/03/373891003.db2.gz AUJWBPBVQGKWEZ-CYBMUJFWSA-N 1 1 251.395 3.110 20 10 CGCDMO Cc1cccc(C[N@@H+]2CCC[C@H]2c2cccn2C)c1O ZINC000179598405 373893681 /nfs/dbraw/zinc/89/36/81/373893681.db2.gz MEODAQLCLSVLLP-INIZCTEOSA-N 1 1 270.376 3.376 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2cccn2C)c1 ZINC000179708747 373907890 /nfs/dbraw/zinc/90/78/90/373907890.db2.gz QQTKQCALZCZTMY-MRXNPFEDSA-N 1 1 270.376 3.376 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)Cc2ccccc2)c1 ZINC000183369625 374405685 /nfs/dbraw/zinc/40/56/85/374405685.db2.gz XLAUKGIBPBWFMY-UHFFFAOYSA-N 1 1 257.333 3.033 20 10 CGCDMO COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1C ZINC000088164134 541945605 /nfs/dbraw/zinc/94/56/05/541945605.db2.gz PMXBONOJJNUYNZ-ALOPSCKCSA-N 1 1 288.435 3.109 20 10 CGCDMO COc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1C ZINC000088164134 541945607 /nfs/dbraw/zinc/94/56/07/541945607.db2.gz PMXBONOJJNUYNZ-ALOPSCKCSA-N 1 1 288.435 3.109 20 10 CGCDMO COc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C ZINC000088164134 541945608 /nfs/dbraw/zinc/94/56/08/541945608.db2.gz PMXBONOJJNUYNZ-ALOPSCKCSA-N 1 1 288.435 3.109 20 10 CGCDMO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(CC(C)C)CC2)c1 ZINC000184972694 374573491 /nfs/dbraw/zinc/57/34/91/374573491.db2.gz VFTWDNWGQQLWHR-HNNXBMFYSA-N 1 1 290.451 3.472 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000271708035 378500147 /nfs/dbraw/zinc/50/01/47/378500147.db2.gz ADLWIBNMTHOUGX-OAHLLOKOSA-N 1 1 272.348 3.066 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1O ZINC000271711915 378500727 /nfs/dbraw/zinc/50/07/27/378500727.db2.gz BBDSSNLGPUCGKO-OAHLLOKOSA-N 1 1 256.349 3.366 20 10 CGCDMO Cc1cccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)c1O ZINC000271802218 378504550 /nfs/dbraw/zinc/50/45/50/378504550.db2.gz LNYNIPSAHWNGHT-KRWDZBQOSA-N 1 1 283.371 3.274 20 10 CGCDMO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](OC)CC2)c1O ZINC000372952883 379206037 /nfs/dbraw/zinc/20/60/37/379206037.db2.gz YEMWKODWKBTOKG-CYBMUJFWSA-N 1 1 299.798 3.055 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCCO1 ZINC000281111651 379817724 /nfs/dbraw/zinc/81/77/24/379817724.db2.gz BHTWSSDKEXZSRU-NSHDSACASA-N 1 1 269.772 3.047 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1C ZINC000283759743 380087498 /nfs/dbraw/zinc/08/74/98/380087498.db2.gz AVRNEUMAMIXGNE-RDJZCZTQSA-N 1 1 275.392 3.152 20 10 CGCDMO Cc1cc(C)cc(NC(=O)C[N@@H+](C)Cc2ccccc2O)c1 ZINC000109771935 392372543 /nfs/dbraw/zinc/37/25/43/392372543.db2.gz NGHUQEQOZOOYTG-UHFFFAOYSA-N 1 1 298.386 3.080 20 10 CGCDMO Cc1cc(C)cc(NC(=O)C[N@H+](C)Cc2ccccc2O)c1 ZINC000109771935 392372545 /nfs/dbraw/zinc/37/25/45/392372545.db2.gz NGHUQEQOZOOYTG-UHFFFAOYSA-N 1 1 298.386 3.080 20 10 CGCDMO CN(C)c1ccc(CNc2[nH]c3ccccc3[nH+]2)cc1F ZINC000301901220 392602069 /nfs/dbraw/zinc/60/20/69/392602069.db2.gz ZXOATLOEXLCJPI-UHFFFAOYSA-N 1 1 284.338 3.380 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c1O ZINC000374258029 392673281 /nfs/dbraw/zinc/67/32/81/392673281.db2.gz HUNHPRSHMDFXCH-MRXNPFEDSA-N 1 1 299.370 3.054 20 10 CGCDMO CC[C@@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1ccc(N(C)C)cc1 ZINC000374469351 392679771 /nfs/dbraw/zinc/67/97/71/392679771.db2.gz QBLAWPILYOAXHH-DOTOQJQBSA-N 1 1 298.434 3.074 20 10 CGCDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccccc1O ZINC000179561621 392701991 /nfs/dbraw/zinc/70/19/91/392701991.db2.gz VJLFBSSJNRYXDC-UHFFFAOYSA-N 1 1 271.360 3.423 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+]2CCn3cccc3[C@@H]2C)c1 ZINC000179568460 392703989 /nfs/dbraw/zinc/70/39/89/392703989.db2.gz ZWYVKASIQRKJAN-ZDUSSCGKSA-N 1 1 286.375 3.169 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCn3cccc3[C@@H]2C)c1 ZINC000179568460 392703993 /nfs/dbraw/zinc/70/39/93/392703993.db2.gz ZWYVKASIQRKJAN-ZDUSSCGKSA-N 1 1 286.375 3.169 20 10 CGCDMO CSC1(C[NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000193820440 392885923 /nfs/dbraw/zinc/88/59/23/392885923.db2.gz KESPMNRVRZWKKF-SECBINFHSA-N 1 1 255.358 3.078 20 10 CGCDMO CC[C@@H](C)[N@H+](CC)Cc1cc(F)cc(C(C)=O)c1O ZINC000037323241 173123552 /nfs/dbraw/zinc/12/35/52/173123552.db2.gz MSLLEPFGTAIJMS-SNVBAGLBSA-N 1 1 267.344 3.354 20 10 CGCDMO CC[C@@H](C)[N@@H+](CC)Cc1cc(F)cc(C(C)=O)c1O ZINC000037323241 173123555 /nfs/dbraw/zinc/12/35/55/173123555.db2.gz MSLLEPFGTAIJMS-SNVBAGLBSA-N 1 1 267.344 3.354 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)c1ccccc1O ZINC000156771168 261131403 /nfs/dbraw/zinc/13/14/03/261131403.db2.gz RRIJQTZFEOSKKT-IAQYHMDHSA-N 1 1 273.380 3.096 20 10 CGCDMO CC[N@@H+](Cc1cncs1)Cc1ccc(N(C)C)cc1 ZINC000156837800 261133835 /nfs/dbraw/zinc/13/38/35/261133835.db2.gz ZYAQVMBFWWMBHY-UHFFFAOYSA-N 1 1 275.421 3.231 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(F)cc1O ZINC000157929976 261155875 /nfs/dbraw/zinc/15/58/75/261155875.db2.gz IITNXTGYAYSKEY-WNMQOVRZSA-N 1 1 279.355 3.140 20 10 CGCDMO CN1[C@@H]2CC[C@H]1CC[N@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000174084291 261557364 /nfs/dbraw/zinc/55/73/64/261557364.db2.gz KVOMZUWNOUJQOU-JKSUJKDBSA-N 1 1 296.414 3.214 20 10 CGCDMO CCC(CC)(CCO)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185620815 262063008 /nfs/dbraw/zinc/06/30/08/262063008.db2.gz FJYJMEFRTBJSQY-LBPRGKRZSA-N 1 1 283.387 3.371 20 10 CGCDMO CS[C@H]1CCCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000272440193 263004420 /nfs/dbraw/zinc/00/44/20/263004420.db2.gz OMOCKWZSOBZPGU-LBPRGKRZSA-N 1 1 269.385 3.249 20 10 CGCDMO CS[C@H]1CCCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000272440193 263004421 /nfs/dbraw/zinc/00/44/21/263004421.db2.gz OMOCKWZSOBZPGU-LBPRGKRZSA-N 1 1 269.385 3.249 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)CC1(C)C ZINC000296268018 263188989 /nfs/dbraw/zinc/18/89/89/263188989.db2.gz YNACYCWVBZCGOK-KRWDZBQOSA-N 1 1 290.451 3.308 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2O)CC1 ZINC000370704657 267340919 /nfs/dbraw/zinc/34/09/19/267340919.db2.gz ALGIHHMKJUOGDZ-OAHLLOKOSA-N 1 1 263.381 3.010 20 10 CGCDMO CCC[C@]1(CO)CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000377840218 329031389 /nfs/dbraw/zinc/03/13/89/329031389.db2.gz QCWJEOOYQFOAAO-HNNXBMFYSA-N 1 1 283.799 3.030 20 10 CGCDMO COC[C@H]1CCCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000375096367 329000319 /nfs/dbraw/zinc/00/03/19/329000319.db2.gz GGMOTVNLHMBGNU-HNNXBMFYSA-N 1 1 294.414 3.140 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000378345096 329046782 /nfs/dbraw/zinc/04/67/82/329046782.db2.gz HBGHQMGNDRLDBP-ZDUSSCGKSA-N 1 1 287.359 3.373 20 10 CGCDMO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccccc2O)CCO1 ZINC000179574033 329209616 /nfs/dbraw/zinc/20/96/16/329209616.db2.gz FTUQLTGHLTYWLV-GOSISDBHSA-N 1 1 283.371 3.140 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cccnc1C)c1ccc(F)cc1O ZINC000527987942 330298997 /nfs/dbraw/zinc/29/89/97/330298997.db2.gz QFMJTUQUOPBULT-OAHLLOKOSA-N 1 1 274.339 3.476 20 10 CGCDMO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)s1 ZINC000274173253 334776901 /nfs/dbraw/zinc/77/69/01/334776901.db2.gz HXRXISPLXUHJLI-NXEZZACHSA-N 1 1 277.393 3.272 20 10 CGCDMO CCN(CC)c1ccc(C[NH2+]Cc2nccs2)cc1 ZINC000040443904 520907921 /nfs/dbraw/zinc/90/79/21/520907921.db2.gz UFLJIJJJWSNPCW-UHFFFAOYSA-N 1 1 275.421 3.279 20 10 CGCDMO CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCSC1 ZINC000279509777 521320787 /nfs/dbraw/zinc/32/07/87/521320787.db2.gz NJKJHJHIPLJITR-HNNXBMFYSA-N 1 1 278.465 3.328 20 10 CGCDMO CC[N@@H+](Cc1cccc(OC)c1O)[C@H](C)c1cccnc1 ZINC000290338208 521354592 /nfs/dbraw/zinc/35/45/92/521354592.db2.gz FFGLDCFKFPNHJV-CYBMUJFWSA-N 1 1 286.375 3.379 20 10 CGCDMO CCC[N@@H+](CCC(=O)C(C)C)Cc1ccccc1O ZINC000290332201 521628241 /nfs/dbraw/zinc/62/82/41/521628241.db2.gz OXYUJQLPVPSCSG-UHFFFAOYSA-N 1 1 263.381 3.219 20 10 CGCDMO CCC[N@@H+](Cc1ccncc1)Cc1ccccc1O ZINC000076074540 521691143 /nfs/dbraw/zinc/69/11/43/521691143.db2.gz VWVRDGQKHKSUKN-UHFFFAOYSA-N 1 1 256.349 3.199 20 10 CGCDMO COc1c(O)c(C[N@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000278168529 521866298 /nfs/dbraw/zinc/86/62/98/521866298.db2.gz FNIGKKKWGCHLGJ-UHFFFAOYSA-N 1 1 294.351 3.074 20 10 CGCDMO COc1c(O)c(C[N@@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000278168529 521866312 /nfs/dbraw/zinc/86/63/12/521866312.db2.gz FNIGKKKWGCHLGJ-UHFFFAOYSA-N 1 1 294.351 3.074 20 10 CGCDMO COCC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000295440371 522935044 /nfs/dbraw/zinc/93/50/44/522935044.db2.gz UKQFAJNGQVMDPO-UHFFFAOYSA-N 1 1 287.762 3.043 20 10 CGCDMO C[N@H+](Cc1cnc(Cl)s1)Cc1ccccc1O ZINC000079321476 523498557 /nfs/dbraw/zinc/49/85/57/523498557.db2.gz IBQZDDGPHISTHO-UHFFFAOYSA-N 1 1 268.769 3.134 20 10 CGCDMO C[N@@H+](Cc1cnc(Cl)s1)Cc1ccccc1O ZINC000079321476 523498567 /nfs/dbraw/zinc/49/85/67/523498567.db2.gz IBQZDDGPHISTHO-UHFFFAOYSA-N 1 1 268.769 3.134 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc(F)cc1O ZINC000062745014 525452099 /nfs/dbraw/zinc/45/20/99/525452099.db2.gz UQYZZNRRWYGFAP-JTQLQIEISA-N 1 1 289.306 3.111 20 10 CGCDMO C[C@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(F)cc1O ZINC000062747994 525458611 /nfs/dbraw/zinc/45/86/11/525458611.db2.gz FSMHGLBERCKHSD-JTQLQIEISA-N 1 1 289.306 3.111 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(F)cc1O ZINC000062744989 525477816 /nfs/dbraw/zinc/47/78/16/525477816.db2.gz VNYZMEMQFCCXHV-RISCZKNCSA-N 1 1 292.354 3.078 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000290363271 526328498 /nfs/dbraw/zinc/32/84/98/526328498.db2.gz AAVCIAWGKHNISM-GOEBONIOSA-N 1 1 291.366 3.065 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000290363271 526328503 /nfs/dbraw/zinc/32/85/03/526328503.db2.gz AAVCIAWGKHNISM-GOEBONIOSA-N 1 1 291.366 3.065 20 10 CGCDMO Cc1csc(C[NH2+][C@H](C)c2ccc(F)cc2O)n1 ZINC000062747903 526360154 /nfs/dbraw/zinc/36/01/54/526360154.db2.gz DRDKOYRPGDVJSF-SECBINFHSA-N 1 1 266.341 3.147 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC000127328155 526372860 /nfs/dbraw/zinc/37/28/60/526372860.db2.gz MWJSUZQCCSDFTJ-UHFFFAOYSA-N 1 1 296.414 3.100 20 10 CGCDMO Oc1ccccc1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000127328155 526372865 /nfs/dbraw/zinc/37/28/65/526372865.db2.gz MWJSUZQCCSDFTJ-UHFFFAOYSA-N 1 1 296.414 3.100 20 10 CGCDMO Oc1ccccc1CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000127328155 526372867 /nfs/dbraw/zinc/37/28/67/526372867.db2.gz MWJSUZQCCSDFTJ-UHFFFAOYSA-N 1 1 296.414 3.100 20 10 CGCDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000740857868 571885661 /nfs/dbraw/zinc/88/56/61/571885661.db2.gz BAKBAWYDGXENMS-NWDGAFQWSA-N 1 1 256.349 3.171 20 10 CGCDMO Cc1nc([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cs1 ZINC000730818516 572378004 /nfs/dbraw/zinc/37/80/04/572378004.db2.gz XJFLPGYIWRBWJL-JTQLQIEISA-N 1 1 274.389 3.237 20 10 CGCDMO Cc1ncc(C[N@@H+](Cc2ccccc2O)C2CCCC2)cn1 ZINC000732205035 572451690 /nfs/dbraw/zinc/45/16/90/572451690.db2.gz XTKHEWMKFPKYOZ-UHFFFAOYSA-N 1 1 297.402 3.435 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)Cc2ccsc2)c1O ZINC000732521373 572469960 /nfs/dbraw/zinc/46/99/60/572469960.db2.gz MKSOCMIEKXOSEW-UHFFFAOYSA-N 1 1 277.389 3.403 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)Cc2c(C)noc2C)cc1 ZINC000741752670 572521707 /nfs/dbraw/zinc/52/17/07/572521707.db2.gz DXCHVEQMRAIHQN-UHFFFAOYSA-N 1 1 287.407 3.380 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc(N(C)C)c2)cc1 ZINC000743839969 572687244 /nfs/dbraw/zinc/68/72/44/572687244.db2.gz MXLAUQQQCUIWOO-UHFFFAOYSA-N 1 1 297.446 3.451 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccccc2N(C)C)cc1 ZINC000743840080 572687316 /nfs/dbraw/zinc/68/73/16/572687316.db2.gz UGFCRDZTQBRJKG-UHFFFAOYSA-N 1 1 297.446 3.451 20 10 CGCDMO CC[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792169592 629343380 /nfs/dbraw/zinc/34/33/80/629343380.db2.gz MDIIODVVNFVNTC-SECBINFHSA-N 1 1 257.736 3.417 20 10 CGCDMO CC[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792169592 629343383 /nfs/dbraw/zinc/34/33/83/629343383.db2.gz MDIIODVVNFVNTC-SECBINFHSA-N 1 1 257.736 3.417 20 10 CGCDMO C[N@@H+](Cc1ccco1)Cc1cc(Cl)ccc1O ZINC000162154991 618740925 /nfs/dbraw/zinc/74/09/25/618740925.db2.gz LVXFQRPBXQYEMO-UHFFFAOYSA-N 1 1 251.713 3.271 20 10 CGCDMO C[C@H]([NH2+]Cc1nccn1C(F)F)c1ccc(N(C)C)cc1 ZINC000162226405 618746944 /nfs/dbraw/zinc/74/69/44/618746944.db2.gz IONNFXGHVFBAPA-NSHDSACASA-N 1 1 294.349 3.195 20 10 CGCDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2O)C12CCC2 ZINC000179586580 618795517 /nfs/dbraw/zinc/79/55/17/618795517.db2.gz IHNKQWUZKGCCAZ-JKSUJKDBSA-N 1 1 275.392 3.172 20 10 CGCDMO CCC[N@@H+](Cc1cnn2ccccc12)Cc1ccccc1O ZINC000179745442 618800541 /nfs/dbraw/zinc/80/05/41/618800541.db2.gz LEAGIXQNHLRWCH-UHFFFAOYSA-N 1 1 295.386 3.452 20 10 CGCDMO CC(C)(C)C[N@H+](CCCO)Cc1cc(Cl)ccc1O ZINC000093146135 619169623 /nfs/dbraw/zinc/16/96/23/619169623.db2.gz BVQRWKHKHQFJAQ-UHFFFAOYSA-N 1 1 285.815 3.276 20 10 CGCDMO CC(C)(C)C[N@@H+](CCCO)Cc1cc(Cl)ccc1O ZINC000093146135 619169625 /nfs/dbraw/zinc/16/96/25/619169625.db2.gz BVQRWKHKHQFJAQ-UHFFFAOYSA-N 1 1 285.815 3.276 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](CCCO)CC(C)(C)C)c1 ZINC000093146341 619169662 /nfs/dbraw/zinc/16/96/62/619169662.db2.gz FIVCMNHOYTUIQC-UHFFFAOYSA-N 1 1 295.423 3.021 20 10 CGCDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000093558524 619203700 /nfs/dbraw/zinc/20/37/00/619203700.db2.gz UIOAZABDESCQCR-CYBMUJFWSA-N 1 1 266.454 3.326 20 10 CGCDMO COc1ccccc1CC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000184861409 619221985 /nfs/dbraw/zinc/22/19/85/619221985.db2.gz RTLNSZAIGSXSAX-LBPRGKRZSA-N 1 1 289.350 3.433 20 10 CGCDMO CN(C)c1ccc(CNCC2([NH+](C)C)CCCCC2)cc1 ZINC000020563340 619224770 /nfs/dbraw/zinc/22/47/70/619224770.db2.gz HBMKWLYTUZDRIA-UHFFFAOYSA-N 1 1 289.467 3.107 20 10 CGCDMO Oc1cccc(Cl)c1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000840954849 619260476 /nfs/dbraw/zinc/26/04/76/619260476.db2.gz MJOWWOQXWXRIKX-HNNXBMFYSA-N 1 1 281.783 3.047 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000840954849 619260479 /nfs/dbraw/zinc/26/04/79/619260479.db2.gz MJOWWOQXWXRIKX-HNNXBMFYSA-N 1 1 281.783 3.047 20 10 CGCDMO Cc1cccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1O ZINC000840956787 619268852 /nfs/dbraw/zinc/26/88/52/619268852.db2.gz FAGFSGQDNKKFOH-IAGOWNOFSA-N 1 1 283.371 3.009 20 10 CGCDMO CC(C)N(CC[NH2+][C@@H](C)c1cc(F)ccc1O)C(C)C ZINC000094616571 619285680 /nfs/dbraw/zinc/28/56/80/619285680.db2.gz FINUQACSIPWCQM-ZDUSSCGKSA-N 1 1 282.403 3.301 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2cc(F)cc(F)c2[O-])c1 ZINC000893881085 619326665 /nfs/dbraw/zinc/32/66/65/619326665.db2.gz UBLAHGSXKOEPQR-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO COc1cccc(C[N@H+](C)Cc2cc(F)cc(F)c2O)c1 ZINC000893881085 619326668 /nfs/dbraw/zinc/32/66/68/619326668.db2.gz UBLAHGSXKOEPQR-UHFFFAOYSA-N 1 1 293.313 3.311 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@](C)(OC)CC2)c1O ZINC000894617135 619590351 /nfs/dbraw/zinc/59/03/51/619590351.db2.gz BCSNCPOMTLCWND-KRWDZBQOSA-N 1 1 293.407 3.100 20 10 CGCDMO CCCC[C@@H](COC)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185494474 625363137 /nfs/dbraw/zinc/36/31/37/625363137.db2.gz TYSLEJPGSADLLY-AAEUAGOBSA-N 1 1 269.360 3.387 20 10 CGCDMO CCCC[C@H](COC)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185494490 625363222 /nfs/dbraw/zinc/36/32/22/625363222.db2.gz TYSLEJPGSADLLY-WCQYABFASA-N 1 1 269.360 3.387 20 10 CGCDMO COc1ccc(C[N@H+]2CC(C)(C)C[C@H]2C)c(O)c1OC ZINC000894923221 619684370 /nfs/dbraw/zinc/68/43/70/619684370.db2.gz UFARFVXGFQOSMR-LLVKDONJSA-N 1 1 279.380 3.030 20 10 CGCDMO Cc1nn(C(C)C)c(C)c1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000895785367 619885602 /nfs/dbraw/zinc/88/56/02/619885602.db2.gz PNAAKFYRBATGAD-UHFFFAOYSA-N 1 1 285.391 3.302 20 10 CGCDMO Cc1nn(C(C)C)c(C)c1C[N@H+]1Cc2cccc(O)c2C1 ZINC000895785367 619885604 /nfs/dbraw/zinc/88/56/04/619885604.db2.gz PNAAKFYRBATGAD-UHFFFAOYSA-N 1 1 285.391 3.302 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000896577423 620029101 /nfs/dbraw/zinc/02/91/01/620029101.db2.gz KXNMKLZPSKAESZ-CYBMUJFWSA-N 1 1 271.360 3.156 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000896641325 620042523 /nfs/dbraw/zinc/04/25/23/620042523.db2.gz QEFJZICGRMXBFZ-LBPRGKRZSA-N 1 1 287.334 3.187 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccc(F)cc1O ZINC000866499133 620536552 /nfs/dbraw/zinc/53/65/52/620536552.db2.gz FXMDVPLNCLBPIO-BDODKLCJSA-N 1 1 263.234 3.133 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000898515901 620595128 /nfs/dbraw/zinc/59/51/28/620595128.db2.gz HKEQCUOIBPCOSM-ZIAGYGMSSA-N 1 1 293.382 3.170 20 10 CGCDMO C[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1cc(Cl)c(Cl)cc1O ZINC000927148219 620604917 /nfs/dbraw/zinc/60/49/17/620604917.db2.gz PSHBKZLOWFKBAS-IWSPIJDZSA-N 1 1 290.190 3.121 20 10 CGCDMO CCN(C)c1ccc([C@H](C)[NH2+]Cc2csc(N)n2)cc1 ZINC000902488264 621355373 /nfs/dbraw/zinc/35/53/73/621355373.db2.gz GPLRCMZQJZAFTD-NSHDSACASA-N 1 1 290.436 3.032 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)c1c(O)cccc1F ZINC000903255300 621643662 /nfs/dbraw/zinc/64/36/62/621643662.db2.gz XMQKQVNHETTXLG-JVLSTEMRSA-N 1 1 279.355 3.140 20 10 CGCDMO CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2O)C1 ZINC000840763830 625555821 /nfs/dbraw/zinc/55/58/21/625555821.db2.gz LTXKLWRTYQLGPR-WCFLWFBJSA-N 1 1 267.344 3.138 20 10 CGCDMO CCCC[C@H](C)[N@@H+](C)Cc1cc(OC)ccc1O ZINC000311090440 622458405 /nfs/dbraw/zinc/45/84/05/622458405.db2.gz YQLYUXNJXZNKMU-LBPRGKRZSA-N 1 1 251.370 3.411 20 10 CGCDMO COc1cccc(C[N@H+]2CC[C@H](C(C)(C)C)C2)c1O ZINC000163869339 622805998 /nfs/dbraw/zinc/80/59/98/622805998.db2.gz JUHFYAUGZCZMPD-ZDUSSCGKSA-N 1 1 263.381 3.269 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000164046476 622813784 /nfs/dbraw/zinc/81/37/84/622813784.db2.gz SCTLJKDWKYBFBW-AWEZNQCLSA-N 1 1 275.392 3.010 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@@H](C)[C@@H]2C)cc1C(C)C ZINC000164189830 622819584 /nfs/dbraw/zinc/81/95/84/622819584.db2.gz DCHJTBQPIAWPSZ-KBPBESRZSA-N 1 1 277.408 3.433 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000171110387 623132633 /nfs/dbraw/zinc/13/26/33/623132633.db2.gz UFWSIRFACNJKNE-UHFFFAOYSA-N 1 1 299.374 3.293 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000171130160 623134698 /nfs/dbraw/zinc/13/46/98/623134698.db2.gz BTYUNPMQHRLUEO-AWEZNQCLSA-N 1 1 293.407 3.006 20 10 CGCDMO CCOC(=O)C1([N@@H+](C)Cc2ccccc2O)CCCCC1 ZINC000179580909 624665876 /nfs/dbraw/zinc/66/58/76/624665876.db2.gz RLENPZGBVZLZQK-UHFFFAOYSA-N 1 1 291.391 3.090 20 10 CGCDMO CC(C)CC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976073 625047842 /nfs/dbraw/zinc/04/78/42/625047842.db2.gz MHPCZXAKJKYXMA-INIZCTEOSA-N 1 1 277.408 3.419 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)C[C@@H](C)CC)c1 ZINC000091796703 625796389 /nfs/dbraw/zinc/79/63/89/625796389.db2.gz QXAHBFRCAVEKLN-LBPRGKRZSA-N 1 1 251.370 3.269 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCOC[C@H]2C)cc1C(C)C ZINC000073586310 625799769 /nfs/dbraw/zinc/79/97/69/625799769.db2.gz ZIATZXFKJBHQEX-CYBMUJFWSA-N 1 1 263.381 3.045 20 10 CGCDMO CCC[C@@H](C)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000756340683 625875644 /nfs/dbraw/zinc/87/56/44/625875644.db2.gz LILBMFYLUVDCEL-MNOVXSKESA-N 1 1 265.353 3.018 20 10 CGCDMO CN(C)c1ccc(C[NH+]2CC(CC(F)(F)F)C2)cc1F ZINC000839139032 626322253 /nfs/dbraw/zinc/32/22/53/626322253.db2.gz WIPZJWVOTRUOIU-UHFFFAOYSA-N 1 1 290.304 3.276 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000839190172 626327958 /nfs/dbraw/zinc/32/79/58/626327958.db2.gz DLQZRGBLDHHDLJ-PTRXPTGYSA-N 1 1 269.747 3.463 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000840818952 626329837 /nfs/dbraw/zinc/32/98/37/626329837.db2.gz DPGXIFSFBMCOAS-JLUCKKNBSA-N 1 1 289.375 3.018 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCCS1)c1c(O)cccc1F ZINC000886539325 626362278 /nfs/dbraw/zinc/36/22/78/626362278.db2.gz XYVRUSXEMUSNLU-UWVGGRQHSA-N 1 1 255.358 3.078 20 10 CGCDMO CCCC[N@@H+](CCOC)Cc1cc(C)cc(C)c1O ZINC000754726995 626585136 /nfs/dbraw/zinc/58/51/36/626585136.db2.gz ZSDBAOXDRZOGHZ-UHFFFAOYSA-N 1 1 265.397 3.258 20 10 CGCDMO CC[C@@H](C)C[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000755943503 626663129 /nfs/dbraw/zinc/66/31/29/626663129.db2.gz JHMZOTNYKKFRFJ-LLVKDONJSA-N 1 1 299.798 3.067 20 10 CGCDMO CC[C@@H](C)C[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000755943503 626663130 /nfs/dbraw/zinc/66/31/30/626663130.db2.gz JHMZOTNYKKFRFJ-LLVKDONJSA-N 1 1 299.798 3.067 20 10 CGCDMO C[C@H]([NH2+]CCN(C)C1CCCCC1)c1ccc(F)cc1O ZINC000756458741 626707159 /nfs/dbraw/zinc/70/71/59/626707159.db2.gz YARHENDXZCKFFO-ZDUSSCGKSA-N 1 1 294.414 3.446 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CC=CCC2)c1 ZINC000756476387 626708179 /nfs/dbraw/zinc/70/81/79/626708179.db2.gz UEPVSQXZTNXGAL-OLZOCXBDSA-N 1 1 289.375 3.186 20 10 CGCDMO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756534804 626713193 /nfs/dbraw/zinc/71/31/93/626713193.db2.gz 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/nfs/dbraw/zinc/99/49/71/626994971.db2.gz HXFKIVXJIXQTJC-KRWDZBQOSA-N 1 1 290.451 3.479 20 10 CGCDMO CC[N@@H+](Cc1cc(Cl)cc(OC)c1O)C1CCC1 ZINC000761201117 627024694 /nfs/dbraw/zinc/02/46/94/627024694.db2.gz DJOWZFLDTCRQHM-UHFFFAOYSA-N 1 1 269.772 3.429 20 10 CGCDMO COCC[N@@H+](Cc1cccs1)Cc1cc(C)ccc1O ZINC000768196291 627468301 /nfs/dbraw/zinc/46/83/01/627468301.db2.gz AVFONTJBRYFDDN-UHFFFAOYSA-N 1 1 291.416 3.411 20 10 CGCDMO COc1cccc(O)c1C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000768238021 627469919 /nfs/dbraw/zinc/46/99/19/627469919.db2.gz UQTWYDYVSQTNNY-UHFFFAOYSA-N 1 1 292.766 3.081 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000768238021 627469925 /nfs/dbraw/zinc/46/99/25/627469925.db2.gz UQTWYDYVSQTNNY-UHFFFAOYSA-N 1 1 292.766 3.081 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)Cc1cccc(C)c1 ZINC000768252369 627471036 /nfs/dbraw/zinc/47/10/36/627471036.db2.gz KQPRIWVTSRKZLF-UHFFFAOYSA-N 1 1 271.360 3.341 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000768360335 627475978 /nfs/dbraw/zinc/47/59/78/627475978.db2.gz NEMCXJVWDLOEKZ-INIZCTEOSA-N 1 1 268.360 3.433 20 10 CGCDMO COc1cc(C[N@@H+](C)CC(C)(C)C)c(O)cc1C ZINC000768445331 627480340 /nfs/dbraw/zinc/48/03/40/627480340.db2.gz GEAPHIYSBZLDLS-UHFFFAOYSA-N 1 1 251.370 3.187 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2C)c(O)c1 ZINC000769224882 627531543 /nfs/dbraw/zinc/53/15/43/627531543.db2.gz ZWWDMWJITGJAEW-STQMWFEESA-N 1 1 263.381 3.411 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C[C@H](C)O)C(C)C)cc1F ZINC000769343741 627544355 /nfs/dbraw/zinc/54/43/55/627544355.db2.gz UDPUJOZEESJARM-AWEZNQCLSA-N 1 1 296.430 3.263 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000769388962 627547684 /nfs/dbraw/zinc/54/76/84/627547684.db2.gz KDRRGLGRFQGYFO-HNNXBMFYSA-N 1 1 270.376 3.335 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CCC2CC2)c1 ZINC000769416568 627550365 /nfs/dbraw/zinc/55/03/65/627550365.db2.gz CAGXWCOQXZRACH-NWDGAFQWSA-N 1 1 291.391 3.408 20 10 CGCDMO CC[N@H+]1CC[C@H](N(C)Cc2c(O)cccc2Cl)C[C@@H]1C ZINC000769469668 627556496 /nfs/dbraw/zinc/55/64/96/627556496.db2.gz CMKJVZATJWRVEH-STQMWFEESA-N 1 1 296.842 3.350 20 10 CGCDMO CCN1CC[C@@H]([N@H+](C)Cc2cc(C)ccc2O)C[C@H]1C ZINC000769470733 627557025 /nfs/dbraw/zinc/55/70/25/627557025.db2.gz OIFZAEJYEJVRKX-GDBMZVCRSA-N 1 1 276.424 3.005 20 10 CGCDMO CCN1CC[C@@H]([N@@H+](C)Cc2cc(C)ccc2O)C[C@H]1C ZINC000769470733 627557028 /nfs/dbraw/zinc/55/70/28/627557028.db2.gz OIFZAEJYEJVRKX-GDBMZVCRSA-N 1 1 276.424 3.005 20 10 CGCDMO Cc1cccc(C[N@H+](C)Cc2cc(Cl)ccc2O)n1 ZINC000769481228 627558697 /nfs/dbraw/zinc/55/86/97/627558697.db2.gz SYOYDPLWJDNEEG-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO CCCN(CCC)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000771929093 627745563 /nfs/dbraw/zinc/74/55/63/627745563.db2.gz SJPFKKKNNWOTEW-UHFFFAOYSA-N 1 1 276.424 3.145 20 10 CGCDMO C[C@H](Nc1cc[nH+]cc1Cl)c1ccc(N(C)C)cc1 ZINC000772300457 627783006 /nfs/dbraw/zinc/78/30/06/627783006.db2.gz LBYBQTIMCPVMQV-NSHDSACASA-N 1 1 275.783 3.396 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCOC[C@@]2(C)CC)cc1 ZINC000773829255 627917943 /nfs/dbraw/zinc/91/79/43/627917943.db2.gz ZVJFGWRPPIOKKC-QGZVFWFLSA-N 1 1 276.424 3.144 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)cc1 ZINC000773861899 627920869 /nfs/dbraw/zinc/92/08/69/627920869.db2.gz ACZJIVMTBPBYDA-YJBOKZPZSA-N 1 1 290.451 3.126 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCN(C)C1)c1cc(Cl)c(Cl)cc1O ZINC000774160739 627954382 /nfs/dbraw/zinc/95/43/82/627954382.db2.gz APFBDNADLXHAMH-IUCAKERBSA-N 1 1 289.206 3.054 20 10 CGCDMO COc1c(O)c(C[NH2+][C@@H](C)CCC(C)C)ccc1[N+](=O)[O-] ZINC000774943999 628050831 /nfs/dbraw/zinc/05/08/31/628050831.db2.gz ZCSKVJPPFGXJKH-NSHDSACASA-N 1 1 296.367 3.223 20 10 CGCDMO CC[C@H]([NH2+]Cc1nnc(C)s1)c1cc(Cl)ccc1O ZINC000775546633 628105676 /nfs/dbraw/zinc/10/56/76/628105676.db2.gz KJZYFFKWXKYYPA-NSHDSACASA-N 1 1 297.811 3.446 20 10 CGCDMO Cc1cc(Br)cc(C[N@H+]2CCC2(C)C)c1O ZINC000775700597 628126898 /nfs/dbraw/zinc/12/68/98/628126898.db2.gz KUFPJYZGCFRAJY-UHFFFAOYSA-N 1 1 284.197 3.447 20 10 CGCDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(C)c2O)C1(C)C ZINC000775715070 628128335 /nfs/dbraw/zinc/12/83/35/628128335.db2.gz BHFBLFNGKOUKOE-CABCVRRESA-N 1 1 277.408 3.336 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2C2CCOCC2)cc1 ZINC000777439492 628270389 /nfs/dbraw/zinc/27/03/89/628270389.db2.gz IJUKYRFYSXYDGN-SFHVURJKSA-N 1 1 288.435 3.144 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C[C@@H]1F ZINC000777965510 628317014 /nfs/dbraw/zinc/31/70/14/628317014.db2.gz WZKIOESJEZUMBD-ABAIWWIYSA-N 1 1 274.339 3.120 20 10 CGCDMO Oc1ccccc1C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000779026988 628384087 /nfs/dbraw/zinc/38/40/87/628384087.db2.gz OCNUGCQOEFGWBN-UHFFFAOYSA-N 1 1 257.255 3.087 20 10 CGCDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)ccc2O)C12CCC2 ZINC000779034846 628384472 /nfs/dbraw/zinc/38/44/72/628384472.db2.gz VGJFSVYNZDEQIS-HZPDHXFCSA-N 1 1 293.382 3.311 20 10 CGCDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C[C@@H]1O ZINC000779432243 628413067 /nfs/dbraw/zinc/41/30/67/628413067.db2.gz PQLMPRHVHGSJDG-ZFWWWQNUSA-N 1 1 297.826 3.275 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1C ZINC000779431850 628413190 /nfs/dbraw/zinc/41/31/90/628413190.db2.gz FOQSZXSMDLCXNM-WBVHZDCISA-N 1 1 291.435 3.238 20 10 CGCDMO CCOCC[N@@H+](C)Cc1ccc(N(CC)CC)c(F)c1 ZINC000779598920 628417807 /nfs/dbraw/zinc/41/78/07/628417807.db2.gz NGAINKYIZZLNRY-UHFFFAOYSA-N 1 1 282.403 3.140 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)Cc2ccccc2O)c(C)n1 ZINC000781900268 628603242 /nfs/dbraw/zinc/60/32/42/628603242.db2.gz ISYNROWHQVWBAF-UHFFFAOYSA-N 1 1 286.375 3.045 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000782292105 628634651 /nfs/dbraw/zinc/63/46/51/628634651.db2.gz VBLARDCMBXTXQM-KRWDZBQOSA-N 1 1 296.414 3.469 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1O ZINC000785986804 628905692 /nfs/dbraw/zinc/90/56/92/628905692.db2.gz DOZNERVFTXHMDS-ITDIGPHOSA-N 1 1 297.826 3.335 20 10 CGCDMO C[N@@H+](CCCCOC(C)(C)C)Cc1ccccc1O ZINC000789348716 629126540 /nfs/dbraw/zinc/12/65/40/629126540.db2.gz PTBYZXZOPJYXQE-UHFFFAOYSA-N 1 1 265.397 3.419 20 10 CGCDMO C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C1CCC1 ZINC000790979724 629245905 /nfs/dbraw/zinc/24/59/05/629245905.db2.gz GWUNRGZMUHWHOK-QMMMGPOBSA-N 1 1 257.736 3.463 20 10 CGCDMO CCC[N@H+](Cc1nc(C)c(C)[nH]1)Cc1ccccc1O ZINC000862237400 629328549 /nfs/dbraw/zinc/32/85/49/629328549.db2.gz NYSVPELJMAMGDV-UHFFFAOYSA-N 1 1 273.380 3.144 20 10 CGCDMO CCC[N@@H+](Cc1nc(C)c(C)[nH]1)Cc1ccccc1O ZINC000862237400 629328550 /nfs/dbraw/zinc/32/85/50/629328550.db2.gz NYSVPELJMAMGDV-UHFFFAOYSA-N 1 1 273.380 3.144 20 10 CGCDMO COCC[N@@H+](Cc1cc(F)ccc1O)[C@H]1CC[C@@H](C)C1 ZINC000792193367 629348165 /nfs/dbraw/zinc/34/81/65/629348165.db2.gz UGEMSEPBASZKTI-DOMZBBRYSA-N 1 1 281.371 3.168 20 10 CGCDMO Oc1ccccc1C[N@@H+](Cc1ncccn1)C1CCCC1 ZINC000792233026 629351191 /nfs/dbraw/zinc/35/11/91/629351191.db2.gz UNXVRMNNBVVVAP-UHFFFAOYSA-N 1 1 283.375 3.127 20 10 CGCDMO CCc1cccc(Cn2c[nH+]c3c2CCCC3)c1O ZINC000862432251 629371366 /nfs/dbraw/zinc/37/13/66/629371366.db2.gz WWHRATWPCFDFKY-UHFFFAOYSA-N 1 1 256.349 3.078 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCO[C@H](CCF)C1 ZINC000862531484 629391925 /nfs/dbraw/zinc/39/19/25/629391925.db2.gz ZMSMMFWXANGCII-CQSZACIVSA-N 1 1 289.350 3.106 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)c1cnc(C)cn1 ZINC000794381980 629538610 /nfs/dbraw/zinc/53/86/10/629538610.db2.gz FXSIXQLOKJDJAH-CQSZACIVSA-N 1 1 285.391 3.464 20 10 CGCDMO COCCc1cc[nH+]c(N[C@H](C)c2cc(F)ccc2O)c1 ZINC000797043793 629876570 /nfs/dbraw/zinc/87/65/70/629876570.db2.gz OIQBJLXBIRRPER-LLVKDONJSA-N 1 1 290.338 3.288 20 10 CGCDMO C[C@H](CCO)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000798184611 630032106 /nfs/dbraw/zinc/03/21/06/630032106.db2.gz YVECWROBDSGSGF-ZJUUUORDSA-N 1 1 291.313 3.080 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(C)cc(C)c2O)CCCO1 ZINC000799161752 630151019 /nfs/dbraw/zinc/15/10/19/630151019.db2.gz CYOGNDQFJTVTFA-OAHLLOKOSA-N 1 1 263.381 3.010 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC=C(Br)C2)c1 ZINC000799573808 630200187 /nfs/dbraw/zinc/20/01/87/630200187.db2.gz DSBOXQSWBZNYAG-UHFFFAOYSA-N 1 1 296.208 3.494 20 10 CGCDMO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(F)cc1O ZINC000799730064 630226955 /nfs/dbraw/zinc/22/69/55/630226955.db2.gz WQSVXYJFEUJEKT-DGFSRKRXSA-N 1 1 267.344 3.140 20 10 CGCDMO CCC(CC)(CCO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000800894919 630309941 /nfs/dbraw/zinc/30/99/41/630309941.db2.gz QRLIVYZFSZYJSL-UHFFFAOYSA-N 1 1 289.778 3.216 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H]1CCOC1 ZINC000801596005 630346357 /nfs/dbraw/zinc/34/63/57/630346357.db2.gz YUEFWKIAUZLYBV-AWEZNQCLSA-N 1 1 263.381 3.031 20 10 CGCDMO CCCC[N@H+](CC(=O)OCC(C)C)Cc1ccccc1O ZINC000801594481 630346822 /nfs/dbraw/zinc/34/68/22/630346822.db2.gz BXJMSSYQCLWNJL-UHFFFAOYSA-N 1 1 293.407 3.194 20 10 CGCDMO CCCC[N@@H+](CC(=O)OCC(C)C)Cc1ccccc1O ZINC000801594481 630346825 /nfs/dbraw/zinc/34/68/25/630346825.db2.gz BXJMSSYQCLWNJL-UHFFFAOYSA-N 1 1 293.407 3.194 20 10 CGCDMO CC(C)[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)CCCO1 ZINC000840096913 630592105 /nfs/dbraw/zinc/59/21/05/630592105.db2.gz VGLGJMKGPKWDEG-SFHVURJKSA-N 1 1 289.419 3.128 20 10 CGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)CCN(C)C)c1O ZINC000808686382 630664470 /nfs/dbraw/zinc/66/44/70/630664470.db2.gz XTOQSSIIIMGWMD-NWDGAFQWSA-N 1 1 284.831 3.345 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC(C)(C)C[C@H]2C)cc1OC ZINC000840181633 630754246 /nfs/dbraw/zinc/75/42/46/630754246.db2.gz SYAFQBOWJJDIMO-LLVKDONJSA-N 1 1 279.380 3.030 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)CN(C)C(C)C)c1ccc(F)cc1O ZINC000810244264 630857744 /nfs/dbraw/zinc/85/77/44/630857744.db2.gz BNCOQLRDHZMPNN-WFASDCNBSA-N 1 1 282.403 3.301 20 10 CGCDMO C[N@H+](Cc1ccccc1O)CC1Cc2ccccc2C1 ZINC000811458471 631068149 /nfs/dbraw/zinc/06/81/49/631068149.db2.gz XWFKJXMTBJQGGS-UHFFFAOYSA-N 1 1 267.372 3.239 20 10 CGCDMO CC[N@H+](Cc1cc2c(cc1O)CCCC2)C[C@H](C)OC ZINC000812300979 631235924 /nfs/dbraw/zinc/23/59/24/631235924.db2.gz AMXWLSGBIFNGBG-ZDUSSCGKSA-N 1 1 277.408 3.128 20 10 CGCDMO Cc1cc(C[N@H+](C)CCCOC(C)C)ccc1N(C)C ZINC000815052332 631707549 /nfs/dbraw/zinc/70/75/49/631707549.db2.gz LNCKOKKEDWBLKO-UHFFFAOYSA-N 1 1 278.440 3.308 20 10 CGCDMO Cc1cc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)ccc1N(C)C ZINC000815054423 631707615 /nfs/dbraw/zinc/70/76/15/631707615.db2.gz KUAIOFQFDWHYFS-OKILXGFUSA-N 1 1 278.465 3.387 20 10 CGCDMO COc1cccc(O)c1C[NH2+]Cc1c(F)cc(F)cc1F ZINC000815151197 631732049 /nfs/dbraw/zinc/73/20/49/631732049.db2.gz BNLXRDDHVCIHJT-UHFFFAOYSA-N 1 1 297.276 3.108 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCCO[C@H](C(C)C)C2)cc1 ZINC000815313986 631756726 /nfs/dbraw/zinc/75/67/26/631756726.db2.gz BPADRTAPWSRRMB-SFHVURJKSA-N 1 1 290.451 3.390 20 10 CGCDMO CCOCC[N@H+](CC)Cc1cc(Cl)c(F)cc1O ZINC000816497611 631984811 /nfs/dbraw/zinc/98/48/11/631984811.db2.gz KHSOLLUSKXNDGL-UHFFFAOYSA-N 1 1 275.751 3.043 20 10 CGCDMO CCOCC[N@@H+](CC)Cc1cc(Cl)c(F)cc1O ZINC000816497611 631984815 /nfs/dbraw/zinc/98/48/15/631984815.db2.gz KHSOLLUSKXNDGL-UHFFFAOYSA-N 1 1 275.751 3.043 20 10 CGCDMO CCC[NH+]1CCN(Cc2ccc3ccccc3c2O)CC1 ZINC000816480784 631987231 /nfs/dbraw/zinc/98/72/31/631987231.db2.gz WYRMJDAIUZWCMT-UHFFFAOYSA-N 1 1 284.403 3.073 20 10 CGCDMO CCN(CC)[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816484020 631989698 /nfs/dbraw/zinc/98/96/98/631989698.db2.gz NFMFEVYJSIVDKY-KRWDZBQOSA-N 1 1 298.430 3.462 20 10 CGCDMO CCN(CC)[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816484020 631989702 /nfs/dbraw/zinc/98/97/02/631989702.db2.gz NFMFEVYJSIVDKY-KRWDZBQOSA-N 1 1 298.430 3.462 20 10 CGCDMO CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@H]1CCOC1 ZINC000816488364 631991544 /nfs/dbraw/zinc/99/15/44/631991544.db2.gz QZYDDYXWCQRNKR-SNVBAGLBSA-N 1 1 287.762 3.043 20 10 CGCDMO Oc1c(C[NH+]2CCN(CC3CC3)CC2)ccc2ccccc21 ZINC000816491696 631991953 /nfs/dbraw/zinc/99/19/53/631991953.db2.gz VVNAXHLNPPHPBJ-UHFFFAOYSA-N 1 1 296.414 3.073 20 10 CGCDMO Oc1c(C[N@H+]2CC[C@@H](N3CCCC3)C2)ccc2ccccc21 ZINC000816499164 631993618 /nfs/dbraw/zinc/99/36/18/631993618.db2.gz HKFCXQGHHUWGNZ-QGZVFWFLSA-N 1 1 296.414 3.216 20 10 CGCDMO Oc1c(CN2CC[C@@H]([NH+]3CCCC3)C2)ccc2ccccc21 ZINC000816499164 631993623 /nfs/dbraw/zinc/99/36/23/631993623.db2.gz HKFCXQGHHUWGNZ-QGZVFWFLSA-N 1 1 296.414 3.216 20 10 CGCDMO COc1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816528446 632003841 /nfs/dbraw/zinc/00/38/41/632003841.db2.gz COLZJNNWFDFQPV-UHFFFAOYSA-N 1 1 295.741 3.483 20 10 CGCDMO CCCCN(C)CC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816549260 632008579 /nfs/dbraw/zinc/00/85/79/632008579.db2.gz IXHWHIHVIQPQCO-UHFFFAOYSA-N 1 1 288.794 3.006 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000816557579 632011520 /nfs/dbraw/zinc/01/15/20/632011520.db2.gz VLNJINCFJYIJEB-MRVPVSSYSA-N 1 1 279.689 3.462 20 10 CGCDMO C[C@@H]1CSCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816591845 632019892 /nfs/dbraw/zinc/01/98/92/632019892.db2.gz PMXCBSKHRMPDDM-VIFPVBQESA-N 1 1 289.803 3.370 20 10 CGCDMO C[C@@H]1CSCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816591845 632019898 /nfs/dbraw/zinc/01/98/98/632019898.db2.gz PMXCBSKHRMPDDM-VIFPVBQESA-N 1 1 289.803 3.370 20 10 CGCDMO Cc1cc(Br)cc(C[N@@H+]2C[C@H](C)[C@H]2C)c1O ZINC000816649144 632038177 /nfs/dbraw/zinc/03/81/77/632038177.db2.gz UXEJVHGBRYHYJZ-VHSXEESVSA-N 1 1 284.197 3.303 20 10 CGCDMO Cc1cc(C[NH2+]Cc2c(O)ccc(Cl)c2F)cc(C)n1 ZINC000817411662 632142275 /nfs/dbraw/zinc/14/22/75/632142275.db2.gz UCTNVTWGOVRYCZ-UHFFFAOYSA-N 1 1 294.757 3.486 20 10 CGCDMO CC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817954086 632249511 /nfs/dbraw/zinc/24/95/11/632249511.db2.gz BKSQIUKDYXTVJX-RISCZKNCSA-N 1 1 282.815 3.086 20 10 CGCDMO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])c2c1c(F)ccc2[O-] ZINC000817959057 632255303 /nfs/dbraw/zinc/25/53/03/632255303.db2.gz AYAJKHWYGKFOAI-XWUBHJNHSA-N 1 1 292.398 3.187 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cc(Cl)ccc1[O-] ZINC000817960395 632255939 /nfs/dbraw/zinc/25/59/39/632255939.db2.gz MUCVREBNBRJFPP-MJVIPROJSA-N 1 1 282.815 3.214 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1[O-] ZINC000817962003 632257647 /nfs/dbraw/zinc/25/76/47/632257647.db2.gz GFLLTRNUVQMYHV-JOYOIKCWSA-N 1 1 290.329 3.047 20 10 CGCDMO CCCC[C@@H](C[NH3+])N[C@@H](C)c1ccc(N(C)CC)cc1 ZINC000817962831 632258539 /nfs/dbraw/zinc/25/85/39/632258539.db2.gz LJGMYAHEBUVQOO-HOCLYGCPSA-N 1 1 277.456 3.311 20 10 CGCDMO C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817966609 632261988 /nfs/dbraw/zinc/26/19/88/632261988.db2.gz RFKXMEJWTOXJRK-XHDPSFHLSA-N 1 1 282.815 3.086 20 10 CGCDMO CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1cccc(Cl)c1[O-] ZINC000817968183 632261996 /nfs/dbraw/zinc/26/19/96/632261996.db2.gz HEIGYIBZZVSCBQ-BPNCWPANSA-N 1 1 282.815 3.084 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1[O-] ZINC000817970042 632262574 /nfs/dbraw/zinc/26/25/74/632262574.db2.gz KDEANRYIABAROU-WCFLWFBJSA-N 1 1 282.815 3.275 20 10 CGCDMO CC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000817986525 632274168 /nfs/dbraw/zinc/27/41/68/632274168.db2.gz QYJRAKMMVCVYJB-OAHLLOKOSA-N 1 1 294.826 3.396 20 10 CGCDMO CCC[C@@H](CCO)[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000866415495 633128306 /nfs/dbraw/zinc/12/83/06/633128306.db2.gz WOWXMMPLHSDAAF-JSGCOSHPSA-N 1 1 269.360 3.123 20 10 CGCDMO Fc1c(C[NH2+]Cc2ccc3c(c2)CCO3)ccnc1Cl ZINC000823752741 633149134 /nfs/dbraw/zinc/14/91/34/633149134.db2.gz MTHMHHVSDKEPCE-UHFFFAOYSA-N 1 1 292.741 3.099 20 10 CGCDMO C[C@H]([NH2+]CC[C@H](O)C1CCCC1)c1ccc(F)cc1O ZINC000866637819 633226175 /nfs/dbraw/zinc/22/61/75/633226175.db2.gz LPIAYFYWACJPBY-NHYWBVRUSA-N 1 1 281.371 3.123 20 10 CGCDMO COC1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CCCC1 ZINC000824445902 633247215 /nfs/dbraw/zinc/24/72/15/633247215.db2.gz OFZKTNDOSANKLV-UHFFFAOYSA-N 1 1 287.762 3.234 20 10 CGCDMO CCN1CCC([N@@H+](C)Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824549195 633258161 /nfs/dbraw/zinc/25/81/61/633258161.db2.gz YWCXONFCOORTFI-UHFFFAOYSA-N 1 1 296.842 3.270 20 10 CGCDMO Cc1cccc(C[N@@H+]2CC(C)(C)[C@@H]2c2nccn2C)c1O ZINC000824620465 633265374 /nfs/dbraw/zinc/26/53/74/633265374.db2.gz QDEHXDIYHYPFGQ-HNNXBMFYSA-N 1 1 285.391 3.017 20 10 CGCDMO Cc1cccc(C[N@H+]2CC(C)(C)[C@@H]2c2nccn2C)c1O ZINC000824620465 633265377 /nfs/dbraw/zinc/26/53/77/633265377.db2.gz QDEHXDIYHYPFGQ-HNNXBMFYSA-N 1 1 285.391 3.017 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824715794 633277751 /nfs/dbraw/zinc/27/77/51/633277751.db2.gz NWIPOUMOOVIUAD-BPLDGKMQSA-N 1 1 295.810 3.171 20 10 CGCDMO CCOC[C@@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824906317 633304131 /nfs/dbraw/zinc/30/41/31/633304131.db2.gz NKCYOUZHUKFRJY-GFCCVEGCSA-N 1 1 283.799 3.212 20 10 CGCDMO CCOc1cccc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c1O ZINC000824941449 633308596 /nfs/dbraw/zinc/30/85/96/633308596.db2.gz NQUFTNHGAWBSJT-RDJZCZTQSA-N 1 1 287.403 3.411 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000824942086 633309213 /nfs/dbraw/zinc/30/92/13/633309213.db2.gz VYOZGIBFWYDXSF-CXAGYDPISA-N 1 1 273.376 3.021 20 10 CGCDMO CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825130793 633331559 /nfs/dbraw/zinc/33/15/59/633331559.db2.gz FXGNEOKZQCFFKJ-CYBMUJFWSA-N 1 1 296.842 3.176 20 10 CGCDMO CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825130793 633331563 /nfs/dbraw/zinc/33/15/63/633331563.db2.gz FXGNEOKZQCFFKJ-CYBMUJFWSA-N 1 1 296.842 3.176 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000825133680 633331608 /nfs/dbraw/zinc/33/16/08/633331608.db2.gz KHCFKMFQGWSBOA-HNNXBMFYSA-N 1 1 281.783 3.048 20 10 CGCDMO Cc1cc([O-])c(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1Cl ZINC000825325528 633345212 /nfs/dbraw/zinc/34/52/12/633345212.db2.gz GZDVIARCLVAYAI-KBPBESRZSA-N 1 1 296.842 3.316 20 10 CGCDMO CC1(C)CCC[N@H+]1CCNCc1c(O)cccc1Cl ZINC000825327703 633346556 /nfs/dbraw/zinc/34/65/56/633346556.db2.gz UJBKNFCUKWRTDQ-UHFFFAOYSA-N 1 1 282.815 3.010 20 10 CGCDMO CC1(C)CCCN1CC[NH2+]Cc1c(O)cccc1Cl ZINC000825327703 633346560 /nfs/dbraw/zinc/34/65/60/633346560.db2.gz UJBKNFCUKWRTDQ-UHFFFAOYSA-N 1 1 282.815 3.010 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2O)CCCO1 ZINC000825768437 633381387 /nfs/dbraw/zinc/38/13/87/633381387.db2.gz MGDIAAYQOUVQEG-CYBMUJFWSA-N 1 1 283.799 3.355 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000827377476 633486496 /nfs/dbraw/zinc/48/64/96/633486496.db2.gz ZCUYHKJFTINDGH-CRAIPNDOSA-N 1 1 289.419 3.482 20 10 CGCDMO CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000827544923 633497468 /nfs/dbraw/zinc/49/74/68/633497468.db2.gz NYMXQNJCMHYRKJ-QGZVFWFLSA-N 1 1 282.387 3.103 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCOc3ccc(O)cc3C2)cc1C ZINC000827655744 633508302 /nfs/dbraw/zinc/50/83/02/633508302.db2.gz BXIOWXKTOWVOBZ-UHFFFAOYSA-N 1 1 299.370 3.109 20 10 CGCDMO Cc1cccc(C[NH2+]CC(F)(F)C(C)(C)C)c1O ZINC000827722274 633512575 /nfs/dbraw/zinc/51/25/75/633512575.db2.gz DZABBCCKTIBIHL-UHFFFAOYSA-N 1 1 257.324 3.472 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@@H]2COC)cc1 ZINC000832620668 634075370 /nfs/dbraw/zinc/07/53/70/634075370.db2.gz KUOYZKDGVORIFF-QGZVFWFLSA-N 1 1 276.424 3.144 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000873156264 634264117 /nfs/dbraw/zinc/26/41/17/634264117.db2.gz KDXRGXWJPBMMMD-BFVZDQMLSA-N 1 1 299.773 3.232 20 10 CGCDMO CC[C@@H]([NH2+]CC1(CF)CCOCC1)c1ccc(F)cc1O ZINC000834886923 634267974 /nfs/dbraw/zinc/26/79/74/634267974.db2.gz WKHYXTTYPJTHIL-CQSZACIVSA-N 1 1 299.361 3.338 20 10 CGCDMO CC[C@@H]([NH2+][C@@H]1CCC[C@H]1OC)c1ccc(F)cc1O ZINC000834886143 634267992 /nfs/dbraw/zinc/26/79/92/634267992.db2.gz IVOJCSBVDPEMKT-UMVBOHGHSA-N 1 1 267.344 3.140 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccc(F)cc1O ZINC000834914490 634286423 /nfs/dbraw/zinc/28/64/23/634286423.db2.gz FUGURGVMLUHWRW-QKCSRTOESA-N 1 1 267.344 3.140 20 10 CGCDMO CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000873222763 634290444 /nfs/dbraw/zinc/29/04/44/634290444.db2.gz BYHTXFAYBJZSEG-INIZCTEOSA-N 1 1 296.842 3.243 20 10 CGCDMO CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000873222763 634290449 /nfs/dbraw/zinc/29/04/49/634290449.db2.gz BYHTXFAYBJZSEG-INIZCTEOSA-N 1 1 296.842 3.243 20 10 CGCDMO C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cc(Cl)ccc1[O-] ZINC000873241327 634298233 /nfs/dbraw/zinc/29/82/33/634298233.db2.gz VTECPXSNAFFXJO-GVXVVHGQSA-N 1 1 282.815 3.214 20 10 CGCDMO COC(C)(C)C[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835028897 634326201 /nfs/dbraw/zinc/32/62/01/634326201.db2.gz LYPBJYAVVMDCQH-BQYQJAHWSA-N 1 1 276.424 3.123 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)C[C@H]2CCCOC2)cc1 ZINC000835029686 634326359 /nfs/dbraw/zinc/32/63/59/634326359.db2.gz YUGKYUSQLJCBLW-XQDHMALISA-N 1 1 288.435 3.124 20 10 CGCDMO Cc1nc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)cs1 ZINC000835036858 634328525 /nfs/dbraw/zinc/32/85/25/634328525.db2.gz RLGAMPPCELCQIC-PLNGDYQASA-N 1 1 287.432 3.321 20 10 CGCDMO CO[C@]1(C)CCC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835054519 634338463 /nfs/dbraw/zinc/33/84/63/634338463.db2.gz QRQMNCCZRHVFLF-SUQGKYDKSA-N 1 1 288.435 3.267 20 10 CGCDMO Cc1cccc(C[N@H+]2CCc3ccccc3C2)c1O ZINC000124494243 634345609 /nfs/dbraw/zinc/34/56/09/634345609.db2.gz FDLWLMJVJSMMKK-UHFFFAOYSA-N 1 1 253.345 3.259 20 10 CGCDMO C[C@H]1CCCC[N@@H+]1CCCNCc1ccc(N(C)C)cc1 ZINC000019912844 634376629 /nfs/dbraw/zinc/37/66/29/634376629.db2.gz PWRLKIUCCHZPOY-INIZCTEOSA-N 1 1 289.467 3.107 20 10 CGCDMO C[C@H]1CCCC[N@H+]1CCCNCc1ccc(N(C)C)cc1 ZINC000019912844 634376634 /nfs/dbraw/zinc/37/66/34/634376634.db2.gz PWRLKIUCCHZPOY-INIZCTEOSA-N 1 1 289.467 3.107 20 10 CGCDMO CCCO[C@H]1CCC[N@@H+](Cc2ccc(C)cc2O)CC1 ZINC000876720469 634884965 /nfs/dbraw/zinc/88/49/65/634884965.db2.gz IVPWSJNPODGBFR-INIZCTEOSA-N 1 1 277.408 3.482 20 10 CGCDMO CCN1CC[C@H]([N@H+](C)Cc2c(C)cccc2O)C[C@@H]1C ZINC000876759705 634894076 /nfs/dbraw/zinc/89/40/76/634894076.db2.gz QOUGAPIIHRHZAM-GJZGRUSLSA-N 1 1 276.424 3.005 20 10 CGCDMO CCN1CC[C@H]([N@@H+](C)Cc2c(C)cccc2O)C[C@@H]1C ZINC000876759705 634894080 /nfs/dbraw/zinc/89/40/80/634894080.db2.gz QOUGAPIIHRHZAM-GJZGRUSLSA-N 1 1 276.424 3.005 20 10 CGCDMO COCC[C@H]1CCCC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000877396940 635034440 /nfs/dbraw/zinc/03/44/40/635034440.db2.gz DRFITLKBPOKHOX-OAHLLOKOSA-N 1 1 277.408 3.339 20 10 CGCDMO Cc1ccc([C@H](C)[NH2+]Cc2nnc(C3CC3)s2)c(O)c1 ZINC000840891682 635076507 /nfs/dbraw/zinc/07/65/07/635076507.db2.gz SNPVVPQDIAPPHU-JTQLQIEISA-N 1 1 289.404 3.280 20 10 CGCDMO Cc1ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c(O)c1 ZINC000877539941 635079783 /nfs/dbraw/zinc/07/97/83/635079783.db2.gz QSWIDXMQQOUKQJ-HOTGVXAUSA-N 1 1 275.392 3.090 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1ccc[nH]1 ZINC000840918810 635083044 /nfs/dbraw/zinc/08/30/44/635083044.db2.gz JXOMJMLSMCBQNR-UHFFFAOYSA-N 1 1 257.381 3.021 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1cccn1C ZINC000840918654 635083203 /nfs/dbraw/zinc/08/32/03/635083203.db2.gz XFQHGCVWDDUBDO-UHFFFAOYSA-N 1 1 271.408 3.032 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)Cc2ccc[nH]2)c(Cl)c1 ZINC000840919219 635083228 /nfs/dbraw/zinc/08/32/28/635083228.db2.gz YIGXLSKBIZOERI-UHFFFAOYSA-N 1 1 264.756 3.314 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2ccc[nH]2)c(Cl)c1 ZINC000840919219 635083234 /nfs/dbraw/zinc/08/32/34/635083234.db2.gz YIGXLSKBIZOERI-UHFFFAOYSA-N 1 1 264.756 3.314 20 10 CGCDMO CO[C@H](C)C[N@@H+](Cc1ccc(N(C)C)cc1C)C(C)C ZINC000840918527 635083383 /nfs/dbraw/zinc/08/33/83/635083383.db2.gz VACLHFQXGVPEDC-OAHLLOKOSA-N 1 1 278.440 3.306 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+](CC1CCC1)[C@H](C)CO ZINC000840943594 635089862 /nfs/dbraw/zinc/08/98/62/635089862.db2.gz VNUUZSMLFBKGLP-OAHLLOKOSA-N 1 1 290.451 3.044 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@]3(CCOC3)C2)c(Cl)c1 ZINC000840949812 635090825 /nfs/dbraw/zinc/09/08/25/635090825.db2.gz CHEYBTCRIWKQOQ-INIZCTEOSA-N 1 1 295.810 3.357 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H](O)C(C)C ZINC000840968277 635096368 /nfs/dbraw/zinc/09/63/68/635096368.db2.gz PYTUAFRSHICSHB-TZMCWYRMSA-N 1 1 289.778 3.070 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c(O)c1 ZINC000877615661 635113389 /nfs/dbraw/zinc/11/33/89/635113389.db2.gz WQCQCMTYEWVZMM-AWEZNQCLSA-N 1 1 267.319 3.322 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)c(O)c1 ZINC000877810785 635213791 /nfs/dbraw/zinc/21/37/91/635213791.db2.gz MTPPGRRSBMGANP-CYBMUJFWSA-N 1 1 273.298 3.475 20 10 CGCDMO Cc1csc([C@@H]2CC[N@@H+](Cc3cccc(C)c3O)C2)n1 ZINC000877813279 635218131 /nfs/dbraw/zinc/21/81/31/635218131.db2.gz JVWLCYWVIIMQDE-CQSZACIVSA-N 1 1 288.416 3.455 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(Cl)cc1O ZINC000841747948 635224160 /nfs/dbraw/zinc/22/41/60/635224160.db2.gz FSGMJMXXIOEKEL-JFGNBEQYSA-N 1 1 269.772 3.264 20 10 CGCDMO CC[C@H](CCO)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841758267 635231387 /nfs/dbraw/zinc/23/13/87/635231387.db2.gz KXTZSAMLIQZVJM-GHMZBOCLSA-N 1 1 271.788 3.105 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000843428249 635673050 /nfs/dbraw/zinc/67/30/50/635673050.db2.gz DWFICLQDNLMFHD-SFHVURJKSA-N 1 1 288.435 3.062 20 10 CGCDMO C[C@@H]1SCC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000843434927 635674574 /nfs/dbraw/zinc/67/45/74/635674574.db2.gz OJGLSAODHRPJQL-CPCISQLKSA-N 1 1 275.776 3.168 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000843433155 635674724 /nfs/dbraw/zinc/67/47/24/635674724.db2.gz VDJJDDHWOHJBBY-OAHLLOKOSA-N 1 1 288.435 3.204 20 10 CGCDMO CCC[C@H](C)[C@H](CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000846013257 636129079 /nfs/dbraw/zinc/12/90/79/636129079.db2.gz JAOGXMKJBCPODJ-CABZTGNLSA-N 1 1 289.778 3.071 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](CC)OC[C@H]2CC)c1 ZINC000846028012 636132187 /nfs/dbraw/zinc/13/21/87/636132187.db2.gz UCMZECVAGSYDIW-HUUCEWRRSA-N 1 1 293.407 3.180 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000846107437 636144707 /nfs/dbraw/zinc/14/47/07/636144707.db2.gz HEOSYQMUVMERKD-AWEZNQCLSA-N 1 1 283.318 3.022 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)CCC2CCOCC2)cc1F ZINC000129643603 636330070 /nfs/dbraw/zinc/33/00/70/636330070.db2.gz HDQOQLUPDOGIEO-UHFFFAOYSA-N 1 1 294.414 3.140 20 10 CGCDMO COc1cc(C)ccc1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000883039327 636517908 /nfs/dbraw/zinc/51/79/08/636517908.db2.gz KUFUXRCGVSZKIG-UHFFFAOYSA-N 1 1 293.313 3.277 20 10 CGCDMO Cc1ccncc1[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883081301 636532384 /nfs/dbraw/zinc/53/23/84/636532384.db2.gz AMFZIUKACMCGNB-SNVBAGLBSA-N 1 1 278.302 3.225 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCC[C@H]1CCCCO1 ZINC000883087807 636536889 /nfs/dbraw/zinc/53/68/89/636536889.db2.gz JNIZFSRYRNXPSN-CYBMUJFWSA-N 1 1 285.334 3.109 20 10 CGCDMO COc1ccc2c(c1)C[N@H+](Cc1cc3c(cc1O)CCC3)C2 ZINC000848499457 636580776 /nfs/dbraw/zinc/58/07/76/636580776.db2.gz LAUUIEIZPKRJEH-UHFFFAOYSA-N 1 1 295.382 3.405 20 10 CGCDMO CCOCC[N@@H+](CC)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000107668420 636590062 /nfs/dbraw/zinc/59/00/62/636590062.db2.gz WQRNBZKECIHKPK-UHFFFAOYSA-N 1 1 295.423 3.254 20 10 CGCDMO CCc1cccc(C[N@@H+](C)Cc2ccoc2C)c1O ZINC000848883077 636671783 /nfs/dbraw/zinc/67/17/83/636671783.db2.gz IUXIMAZQQUJUSY-UHFFFAOYSA-N 1 1 259.349 3.488 20 10 CGCDMO CCc1cccc(C[N@H+]2CCS[C@H](CC)C2)c1O ZINC000848887432 636674604 /nfs/dbraw/zinc/67/46/04/636674604.db2.gz WIEOVFDWOKWKFR-CQSZACIVSA-N 1 1 265.422 3.282 20 10 CGCDMO CCc1cccc(C[N@@H+](C)Cc2cccc(C)n2)c1O ZINC000848888472 636675964 /nfs/dbraw/zinc/67/59/64/636675964.db2.gz UXJOQBVYYWPFEF-UHFFFAOYSA-N 1 1 270.376 3.290 20 10 CGCDMO CCc1cccc(C[N@H+]2CCOC3(CCCC3)C2)c1O ZINC000848887790 636676263 /nfs/dbraw/zinc/67/62/63/636676263.db2.gz FIUPFQXWOGACLA-UHFFFAOYSA-N 1 1 275.392 3.100 20 10 CGCDMO CCc1cccc(C[N@@H+]2CC[C@@H](N3CCCC3)[C@@H]2C)c1O ZINC000848910520 636686771 /nfs/dbraw/zinc/68/67/71/636686771.db2.gz KYZKSISQDYKBEI-WMLDXEAASA-N 1 1 288.435 3.013 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@@H](N3CCCC3)[C@@H]2C)c1O ZINC000848910520 636686775 /nfs/dbraw/zinc/68/67/75/636686775.db2.gz KYZKSISQDYKBEI-WMLDXEAASA-N 1 1 288.435 3.013 20 10 CGCDMO CCc1cccc(C[N@@H+](C)[C@@H](CO)CC(C)(C)C)c1O ZINC000848915068 636688589 /nfs/dbraw/zinc/68/85/89/636688589.db2.gz RYDWHQIXCLGGBD-OAHLLOKOSA-N 1 1 279.424 3.184 20 10 CGCDMO CCc1cccc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c1O ZINC000848914796 636688642 /nfs/dbraw/zinc/68/86/42/636688642.db2.gz SPYHCOVETABACB-ZWKOTPCHSA-N 1 1 287.403 3.098 20 10 CGCDMO CCc1cccc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1O ZINC000848914795 636688922 /nfs/dbraw/zinc/68/89/22/636688922.db2.gz SPYHCOVETABACB-ROUUACIJSA-N 1 1 287.403 3.098 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@@H](OC)C(C)(C)C2)c1O ZINC000848915787 636690273 /nfs/dbraw/zinc/69/02/73/636690273.db2.gz LZQTVTZQQQIAGI-OAHLLOKOSA-N 1 1 277.408 3.202 20 10 CGCDMO CCc1cccc(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)c1O ZINC000848919294 636690848 /nfs/dbraw/zinc/69/08/48/636690848.db2.gz JGVGBFBAQMAZSU-AWEZNQCLSA-N 1 1 289.419 3.346 20 10 CGCDMO C[C@@H](O)C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000848929444 636699987 /nfs/dbraw/zinc/69/99/87/636699987.db2.gz WYJVUGQBSYIXKW-CQSZACIVSA-N 1 1 297.398 3.404 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1C ZINC000884483078 637041570 /nfs/dbraw/zinc/04/15/70/637041570.db2.gz NCYFWBMKODJSRO-RHSMWYFYSA-N 1 1 275.392 3.010 20 10 CGCDMO COC(CC[N@@H+](Cc1ccccc1O)C1CCCC1)OC ZINC000851772145 637496221 /nfs/dbraw/zinc/49/62/21/637496221.db2.gz YPCXLBAJISSCDC-UHFFFAOYSA-N 1 1 293.407 3.146 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)[C@H]1CC[C@@H](OC)C1 ZINC000851793050 637505038 /nfs/dbraw/zinc/50/50/38/637505038.db2.gz VUIGTHLCOAMFET-LSDHHAIUSA-N 1 1 263.381 3.172 20 10 CGCDMO CCC[N@@H+](CC[C@@H]1COC(C)(C)O1)Cc1ccccc1O ZINC000851792963 637505611 /nfs/dbraw/zinc/50/56/11/637505611.db2.gz VJPWMMTWQHJQOY-OAHLLOKOSA-N 1 1 293.407 3.146 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H](OC)C1CCC1 ZINC000851792925 637505799 /nfs/dbraw/zinc/50/57/99/637505799.db2.gz UNBGTQIWMRVJPT-QGZVFWFLSA-N 1 1 277.408 3.419 20 10 CGCDMO CCc1nc(CC[NH2+][C@@H](C)c2c(O)cccc2F)cs1 ZINC000886521290 637552026 /nfs/dbraw/zinc/55/20/26/637552026.db2.gz YCCKQVDAWKZBAR-JTQLQIEISA-N 1 1 294.395 3.444 20 10 CGCDMO C[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1c(O)cccc1F ZINC000886531169 637555914 /nfs/dbraw/zinc/55/59/14/637555914.db2.gz XLLPNBOKPVRJIB-BMIGLBTASA-N 1 1 295.379 3.151 20 10 CGCDMO C[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1c(O)cccc1F ZINC000886587745 637593512 /nfs/dbraw/zinc/59/35/12/637593512.db2.gz DYSFFVSWAZUJDC-AGIUHOORSA-N 1 1 281.371 3.387 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCCCS1)c1c(O)cccc1F ZINC000886587562 637593611 /nfs/dbraw/zinc/59/36/11/637593611.db2.gz BCFCSHPTYSRRPO-WDEREUQCSA-N 1 1 269.385 3.468 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1c(O)cccc1F ZINC000886594247 637596359 /nfs/dbraw/zinc/59/63/59/637596359.db2.gz ISUOQAWRMUVCRN-MNOVXSKESA-N 1 1 267.344 3.140 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1c(O)cccc1F ZINC000886638562 637622898 /nfs/dbraw/zinc/62/28/98/637622898.db2.gz WZXSCVSAYKSIMB-UTUOFQBUSA-N 1 1 267.344 3.140 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1c(O)cccc1F ZINC000886638656 637623192 /nfs/dbraw/zinc/62/31/92/637623192.db2.gz ZCQDSOOZWGLBAM-KWQFWETISA-N 1 1 273.298 3.473 20 10 CGCDMO C[C@@H]([NH2+]CCC1SCCS1)c1c(O)cccc1F ZINC000886639589 637625033 /nfs/dbraw/zinc/62/50/33/637625033.db2.gz GTUDBYLOWRPNKW-SECBINFHSA-N 1 1 287.425 3.378 20 10 CGCDMO C[C@H]([NH2+]C1CCC2(COC2)CC1)c1c(O)cccc1F ZINC000886651665 637631805 /nfs/dbraw/zinc/63/18/05/637631805.db2.gz NSURLTKJBXLDTQ-NSHDSACASA-N 1 1 279.355 3.141 20 10 CGCDMO Cc1cc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)ccc1N(C)C ZINC000852324130 637634465 /nfs/dbraw/zinc/63/44/65/637634465.db2.gz HKKPMNSMUSFMEU-GOSISDBHSA-N 1 1 288.435 3.062 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC3(CCC3)OC[C@@H]2C)cc1 ZINC000852444055 637653045 /nfs/dbraw/zinc/65/30/45/637653045.db2.gz NONSSGMHBDODKH-HNNXBMFYSA-N 1 1 288.435 3.286 20 10 CGCDMO C[C@@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)c1c(O)cccc1F ZINC000886720319 637672525 /nfs/dbraw/zinc/67/25/25/637672525.db2.gz ZTABLBBFFNXIFA-VXGBXAGGSA-N 1 1 281.371 3.387 20 10 CGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000853577686 637869012 /nfs/dbraw/zinc/86/90/12/637869012.db2.gz IIBOBSPNHNYLBF-VXGBXAGGSA-N 1 1 275.392 3.237 20 10 CGCDMO CC[C@H]([NH2+][C@H](CO)CCC(C)C)c1ccc(F)cc1O ZINC000858485965 638737955 /nfs/dbraw/zinc/73/79/55/638737955.db2.gz QWDKLCVGNYBMBS-ZFWWWQNUSA-N 1 1 283.387 3.369 20 10 CGCDMO CCCC[N@@H+](Cc1nn(C)cc1C)Cc1ccccc1O ZINC000930352036 638992331 /nfs/dbraw/zinc/99/23/31/638992331.db2.gz STLZPEZUBYVIGL-UHFFFAOYSA-N 1 1 287.407 3.236 20 10 CGCDMO C[C@H](C[NH2+]Cc1cccc(F)c1O)c1ccccc1 ZINC000158677847 640014812 /nfs/dbraw/zinc/01/48/12/640014812.db2.gz UFEPZJHOSKVGBZ-GFCCVEGCSA-N 1 1 259.324 3.425 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCS[C@@H](C)CC2)c1 ZINC000191662663 640326084 /nfs/dbraw/zinc/32/60/84/640326084.db2.gz YFOZNDSVEWDWIR-ZDUSSCGKSA-N 1 1 265.422 3.336 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)c1O ZINC000245755029 640635790 /nfs/dbraw/zinc/63/57/90/640635790.db2.gz OVADWWSZWBYGRF-STQMWFEESA-N 1 1 263.381 3.187 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@@H](C)[C@H]2C)cc1C(C)C ZINC000246863465 640697713 /nfs/dbraw/zinc/69/77/13/640697713.db2.gz DCHJTBQPIAWPSZ-KGLIPLIRSA-N 1 1 277.408 3.433 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)CN1CCC[C@@H](C)C1)c1ccc(F)cc1O ZINC000248518506 640765530 /nfs/dbraw/zinc/76/55/30/640765530.db2.gz PVYZGTHEIPMKMO-HZSPNIEDSA-N 1 1 294.414 3.302 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](OCCC(C)C)C2)c1 ZINC000093476243 640772573 /nfs/dbraw/zinc/77/25/73/640772573.db2.gz HOXDKLMBEYBNPU-MRXNPFEDSA-N 1 1 277.408 3.338 20 10 CGCDMO COc1cccc(C[N@@H+](C)[C@H]2C[C@@](C)(OC)C2(C)C)c1O ZINC000093871835 640783705 /nfs/dbraw/zinc/78/37/05/640783705.db2.gz RYPVKTRKERSEQE-WMLDXEAASA-N 1 1 293.407 3.036 20 10 CGCDMO Nc1ccc(NCc2cc3ccccc3cc2O)[nH+]c1 ZINC001160205254 806235465 /nfs/dbraw/zinc/23/54/65/806235465.db2.gz BQVKGJOGAFRYIC-UHFFFAOYSA-N 1 1 265.316 3.135 20 10 CGCDMO Cc1c[nH]c2nc[nH+]c(NCc3c(C)cc(C)cc3O)c12 ZINC001160808069 806304707 /nfs/dbraw/zinc/30/47/07/806304707.db2.gz IGWASWYPWREODE-UHFFFAOYSA-N 1 1 282.347 3.201 20 10 CGCDMO Cc1ccc(O)c(C[N@H+](C(C)C)C2CCOCC2)c1 ZINC000093604995 798966568 /nfs/dbraw/zinc/96/65/68/798966568.db2.gz JAQVQIPWFOXONA-UHFFFAOYSA-N 1 1 263.381 3.090 20 10 CGCDMO CCOc1cccc(C[N@@H+](C)CC2CCCC2)c1O ZINC000156023905 799065507 /nfs/dbraw/zinc/06/55/07/799065507.db2.gz MAEXRMREEQDSJE-UHFFFAOYSA-N 1 1 263.381 3.413 20 10 CGCDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(Br)ccc1O ZINC000161294630 799079474 /nfs/dbraw/zinc/07/94/74/799079474.db2.gz GGCFNNMQLJZFCB-VHSXEESVSA-N 1 1 284.197 3.385 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)C2CC(C)(C)C2)c1O ZINC000395456577 799506265 /nfs/dbraw/zinc/50/62/65/799506265.db2.gz CCCHPDUKVGWLQV-UHFFFAOYSA-N 1 1 279.355 3.354 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)C2CC(C)(C)C2)c1O ZINC000395456577 799506267 /nfs/dbraw/zinc/50/62/67/799506267.db2.gz CCCHPDUKVGWLQV-UHFFFAOYSA-N 1 1 279.355 3.354 20 10 CGCDMO Cc1cc(C)c(C[NH2+][C@@H](C)c2ccc(F)cc2O)cn1 ZINC000397055448 799513574 /nfs/dbraw/zinc/51/35/74/799513574.db2.gz TUCFXJNNMQCIST-LBPRGKRZSA-N 1 1 274.339 3.394 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(C)ccc2O)[C@H](CC)CO1 ZINC000403805128 799572621 /nfs/dbraw/zinc/57/26/21/799572621.db2.gz IIKNRKXJQFEAGI-HUUCEWRRSA-N 1 1 263.381 3.090 20 10 CGCDMO Oc1cccc(Br)c1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000707138890 799973618 /nfs/dbraw/zinc/97/36/18/799973618.db2.gz IOGUODLZSGAAQC-PHIMTYICSA-N 1 1 296.208 3.387 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]CC[C@H]1CCCS1 ZINC000708409355 799988253 /nfs/dbraw/zinc/98/82/53/799988253.db2.gz NFZILVFAEFIDJD-LLVKDONJSA-N 1 1 273.348 3.046 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000708536269 799989769 /nfs/dbraw/zinc/98/97/69/799989769.db2.gz XOWXPQPSIBVHIM-SNVBAGLBSA-N 1 1 253.292 3.116 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@](C)(C(F)(F)F)C2)c1O ZINC000708598797 799992174 /nfs/dbraw/zinc/99/21/74/799992174.db2.gz ADPFYQBGNLGAIE-ZDUSSCGKSA-N 1 1 273.298 3.475 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@](C)(C(F)(F)F)C2)c1 ZINC000708617895 799992515 /nfs/dbraw/zinc/99/25/15/799992515.db2.gz IVWRQGJSDLIKTC-ZDUSSCGKSA-N 1 1 289.297 3.175 20 10 CGCDMO C[NH+](C)C1(C)CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000715581347 800140197 /nfs/dbraw/zinc/14/01/97/800140197.db2.gz RJSATQQNVKAKTH-UHFFFAOYSA-N 1 1 296.842 3.398 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1c(O)cccc1F ZINC000886645044 800546438 /nfs/dbraw/zinc/54/64/38/800546438.db2.gz QISHBCTWANREKD-JFGNBEQYSA-N 1 1 255.308 3.463 20 10 CGCDMO COc1ccc(C[N@H+]2CCC3(CCCC3)C2)c(O)c1OC ZINC001119936142 802709111 /nfs/dbraw/zinc/70/91/11/802709111.db2.gz DNIVDVAPVCCWGE-UHFFFAOYSA-N 1 1 291.391 3.176 20 10 CGCDMO C[C@]1([NH3+])CCC[N@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC001205280956 812929287 /nfs/dbraw/zinc/92/92/87/812929287.db2.gz MYSNCDSMIGDWIE-SFHVURJKSA-N 1 1 284.403 3.249 20 10 CGCDMO C[C@]1([NH3+])CCC[N@@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC001205280956 812929290 /nfs/dbraw/zinc/92/92/90/812929290.db2.gz MYSNCDSMIGDWIE-SFHVURJKSA-N 1 1 284.403 3.249 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1ccc3ncccc3c1)CC2 ZINC001138112308 803856581 /nfs/dbraw/zinc/85/65/81/803856581.db2.gz BKXKVWWKJXEYAC-UHFFFAOYSA-N 1 1 290.366 3.499 20 10 CGCDMO C[C@H]1C(=O)CC[N@H+](Cc2cccc(F)c2O)C12CCCC2 ZINC001138130946 803866563 /nfs/dbraw/zinc/86/65/63/803866563.db2.gz LYZDUFXPTCLCGW-LBPRGKRZSA-N 1 1 291.366 3.255 20 10 CGCDMO C[C@H]1C(=O)CC[N@@H+](Cc2cccc(F)c2O)C12CCCC2 ZINC001138130946 803866571 /nfs/dbraw/zinc/86/65/71/803866571.db2.gz LYZDUFXPTCLCGW-LBPRGKRZSA-N 1 1 291.366 3.255 20 10 CGCDMO Cc1c(C[N@H+]2CC[C@@](C)(O)[C@H](C)C2)c2ccccc2n1C ZINC001138252471 803879383 /nfs/dbraw/zinc/87/93/83/803879383.db2.gz IBGQEUQJNHGZJC-FZKQIMNGSA-N 1 1 286.419 3.080 20 10 CGCDMO CCCCN1CC[NH+](Cc2c(C)n(C)c3ccccc32)CC1 ZINC001138256830 803881142 /nfs/dbraw/zinc/88/11/42/803881142.db2.gz MANDCNITORAGAO-UHFFFAOYSA-N 1 1 299.462 3.404 20 10 CGCDMO CC(=O)[C@H]1CCCC[N@@H+]1Cc1c(C)n(C)c2ccccc21 ZINC001138258338 803885083 /nfs/dbraw/zinc/88/50/83/803885083.db2.gz QNACOAHXQGNCFX-QGZVFWFLSA-N 1 1 284.403 3.430 20 10 CGCDMO Cc1c(C[N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c2ccccc2n1C ZINC001138260627 803885584 /nfs/dbraw/zinc/88/55/84/803885584.db2.gz NCJHGNQWZFLGSW-YOEHRIQHSA-N 1 1 296.414 3.288 20 10 CGCDMO C[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138354007 803901387 /nfs/dbraw/zinc/90/13/87/803901387.db2.gz QMNQBGXJKSVWHF-CQSZACIVSA-N 1 1 258.409 3.443 20 10 CGCDMO CC[C@H]1CC(NCc2ccc(N(C)C)cc2)C[C@H](CC)[NH2+]1 ZINC001246304914 804269369 /nfs/dbraw/zinc/26/93/69/804269369.db2.gz BXPZNXCOZBNEOQ-HOTGVXAUSA-N 1 1 289.467 3.151 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001140055227 804363149 /nfs/dbraw/zinc/36/31/49/804363149.db2.gz OGLQNDYVPGUQGN-CYBMUJFWSA-N 1 1 286.350 3.306 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1cccc3cnccc31)CC2 ZINC001140144661 804389996 /nfs/dbraw/zinc/38/99/96/804389996.db2.gz IRDVVPUPZXRDCR-UHFFFAOYSA-N 1 1 290.366 3.499 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)CC[C@@]1(C)O ZINC001140337725 804418213 /nfs/dbraw/zinc/41/82/13/804418213.db2.gz BCSPTPFDRCALOL-XHDPSFHLSA-N 1 1 283.799 3.029 20 10 CGCDMO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1c1cnccn1 ZINC001140341225 804420625 /nfs/dbraw/zinc/42/06/25/804420625.db2.gz DZZYZNBTUGMTIW-CQSZACIVSA-N 1 1 289.766 3.173 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H]1c1cnccn1 ZINC001140341225 804420627 /nfs/dbraw/zinc/42/06/27/804420627.db2.gz DZZYZNBTUGMTIW-CQSZACIVSA-N 1 1 289.766 3.173 20 10 CGCDMO Oc1ccc2c(c1)CC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140463266 804440991 /nfs/dbraw/zinc/44/09/91/804440991.db2.gz YJRZBCUKOPZSQJ-UHFFFAOYSA-N 1 1 289.762 3.310 20 10 CGCDMO C[C@@]1(F)CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140462890 804441123 /nfs/dbraw/zinc/44/11/23/804441123.db2.gz NKIGFRTUIPKLGT-CYBMUJFWSA-N 1 1 257.736 3.370 20 10 CGCDMO C[C@@]1(F)CCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140462890 804441124 /nfs/dbraw/zinc/44/11/24/804441124.db2.gz NKIGFRTUIPKLGT-CYBMUJFWSA-N 1 1 257.736 3.370 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC001140467213 804443254 /nfs/dbraw/zinc/44/32/54/804443254.db2.gz PWTJWBADAZRFSV-ZDUSSCGKSA-N 1 1 288.778 3.430 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2Cc2ccccn2)c1 ZINC001140620947 804476472 /nfs/dbraw/zinc/47/64/72/804476472.db2.gz JHNHEMAKXVGBEI-KRWDZBQOSA-N 1 1 282.387 3.303 20 10 CGCDMO CCC[N@@H+](Cc1ccc(O)c(C)c1O)[C@H](C)CC ZINC001140741784 804502530 /nfs/dbraw/zinc/50/25/30/804502530.db2.gz BXTCGLOMRDCEDR-LLVKDONJSA-N 1 1 251.370 3.417 20 10 CGCDMO Cc1c(O)ccc(C[N@@H+](C)CCc2ccccc2)c1O ZINC001140742776 804503290 /nfs/dbraw/zinc/50/32/90/804503290.db2.gz YSOOTPQBQFDSFZ-UHFFFAOYSA-N 1 1 271.360 3.081 20 10 CGCDMO Cc1c(O)ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C)c1O ZINC001140747756 804504071 /nfs/dbraw/zinc/50/40/71/804504071.db2.gz LLYDZUFCLKOZJB-GFCCVEGCSA-N 1 1 283.371 3.353 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC001140949484 804555507 /nfs/dbraw/zinc/55/55/07/804555507.db2.gz BTDRPEMVHDLIRY-AWEZNQCLSA-N 1 1 291.391 3.007 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@@](CF)(C(F)(F)F)C2)c(O)c1 ZINC001140948137 804555765 /nfs/dbraw/zinc/55/57/65/804555765.db2.gz UYJFCNIVXNTZKZ-ZDUSSCGKSA-N 1 1 291.288 3.425 20 10 CGCDMO Cc1ccc(C[N@H+]2CCc3ccc(F)cc3C2)c(O)c1 ZINC001140950677 804557967 /nfs/dbraw/zinc/55/79/67/804557967.db2.gz BUJGRKBXGMPUTM-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO Cc1ccc(C[N@@H+](C)CCC(=O)c2ccccc2)c(O)c1 ZINC001140950752 804558139 /nfs/dbraw/zinc/55/81/39/804558139.db2.gz GULIMRFPKXOAQO-UHFFFAOYSA-N 1 1 283.371 3.405 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c(OC)c1 ZINC001141026661 804573028 /nfs/dbraw/zinc/57/30/28/804573028.db2.gz YOFMRVQRAZBVIE-OLZOCXBDSA-N 1 1 291.391 3.031 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC23CCCCC3)c(OC)c1 ZINC001141026598 804573306 /nfs/dbraw/zinc/57/33/06/804573306.db2.gz WMPZLEYUPTZTLQ-UHFFFAOYSA-N 1 1 291.391 3.318 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCCCC[C@H]2C)c(OC)c1 ZINC001141026846 804573577 /nfs/dbraw/zinc/57/35/77/804573577.db2.gz FTZXCRLVTNELQE-GFCCVEGCSA-N 1 1 279.380 3.174 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC001142520751 804730122 /nfs/dbraw/zinc/73/01/22/804730122.db2.gz PCVOCBAABRRYJT-LLVKDONJSA-N 1 1 290.313 3.055 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC001142520751 804730127 /nfs/dbraw/zinc/73/01/27/804730127.db2.gz PCVOCBAABRRYJT-LLVKDONJSA-N 1 1 290.313 3.055 20 10 CGCDMO CC(C)[N@@H+](Cc1cc(F)c(F)cc1O)CC1CC1 ZINC001142520036 804730676 /nfs/dbraw/zinc/73/06/76/804730676.db2.gz AFKXXZAJLCRVOI-UHFFFAOYSA-N 1 1 255.308 3.291 20 10 CGCDMO CC(C)[N@H+](Cc1cc(F)c(F)cc1O)CC1CC1 ZINC001142520036 804730677 /nfs/dbraw/zinc/73/06/77/804730677.db2.gz AFKXXZAJLCRVOI-UHFFFAOYSA-N 1 1 255.308 3.291 20 10 CGCDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142524864 804732282 /nfs/dbraw/zinc/73/22/82/804732282.db2.gz NPGWFCMZQUDYSX-CQSZACIVSA-N 1 1 285.334 3.060 20 10 CGCDMO COC(C)(C)[C@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142524864 804732287 /nfs/dbraw/zinc/73/22/87/804732287.db2.gz NPGWFCMZQUDYSX-CQSZACIVSA-N 1 1 285.334 3.060 20 10 CGCDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142524864 804732291 /nfs/dbraw/zinc/73/22/91/804732291.db2.gz NPGWFCMZQUDYSX-CQSZACIVSA-N 1 1 285.334 3.060 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)C2CCC3(COC3)CC2)cc1 ZINC001257913900 807250969 /nfs/dbraw/zinc/25/09/69/807250969.db2.gz LTJKVVSCWWNMDN-UHFFFAOYSA-N 1 1 288.435 3.144 20 10 CGCDMO Oc1c(C[NH2+][C@H]2C[C@H]3C[C@H]3C2)cc(Cl)c2cccnc12 ZINC001167903036 807269848 /nfs/dbraw/zinc/26/98/48/807269848.db2.gz RTGSPXQHRUHLHM-IAZYJMLFSA-N 1 1 288.778 3.482 20 10 CGCDMO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc3ccccc3cc1O)C2 ZINC001169108655 807578473 /nfs/dbraw/zinc/57/84/73/807578473.db2.gz URQOAGQVXLUELY-BCDXTJNWSA-N 1 1 296.414 3.260 20 10 CGCDMO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC001261201545 807714130 /nfs/dbraw/zinc/71/41/30/807714130.db2.gz GLFQIKOLHMHYAD-JMSVASOKSA-N 1 1 297.402 3.119 20 10 CGCDMO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC001261201547 807714568 /nfs/dbraw/zinc/71/45/68/807714568.db2.gz GLFQIKOLHMHYAD-TYNCELHUSA-N 1 1 297.402 3.119 20 10 CGCDMO Cc1cc(C[N@H+]2CCCC[C@@]23CCOC3)ccc1N(C)C ZINC001176977699 809771834 /nfs/dbraw/zinc/77/18/34/809771834.db2.gz NLZNOXUROISGKY-SFHVURJKSA-N 1 1 288.435 3.206 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)c(Cl)c1 ZINC001180332817 809994379 /nfs/dbraw/zinc/99/43/79/809994379.db2.gz UPZDKKZEXCVMGM-SWLSCSKDSA-N 1 1 297.826 3.337 20 10 CGCDMO CCc1nnc([C@@H](C)[NH2+]Cc2c(C)c3ccccc3n2C)[nH]1 ZINC001201813947 811968315 /nfs/dbraw/zinc/96/83/15/811968315.db2.gz HHOIYOOXFFECLX-GFCCVEGCSA-N 1 1 297.406 3.018 20 10 CGCDMO COc1cccc(C[N@@H+]2Cc3ccc(F)cc3C2)c1O ZINC001203595942 812404236 /nfs/dbraw/zinc/40/42/36/812404236.db2.gz SYMWIYWQDWNLFX-UHFFFAOYSA-N 1 1 273.307 3.056 20 10 CGCDMO COc1cccc(C[N@H+]2Cc3ccc(F)cc3C2)c1O ZINC001203595942 812404239 /nfs/dbraw/zinc/40/42/39/812404239.db2.gz SYMWIYWQDWNLFX-UHFFFAOYSA-N 1 1 273.307 3.056 20 10 CGCDMO COc1cccc(C[N@@H+](C)[C@H]2CC[C@H](C)CC2)c1O ZINC001203601739 812405002 /nfs/dbraw/zinc/40/50/02/812405002.db2.gz IYVZLLZXZBWMNV-MQMHXKEQSA-N 1 1 263.381 3.411 20 10 CGCDMO COc1ccc(C[N@H+]2CCc3cc(C)ccc3C2)c(O)c1 ZINC001203635083 812412289 /nfs/dbraw/zinc/41/22/89/812412289.db2.gz KDFRPZAGXCNEPM-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)c(O)c1 ZINC001203630368 812412524 /nfs/dbraw/zinc/41/25/24/812412524.db2.gz QYLGQXPEPHJSRE-MRXNPFEDSA-N 1 1 284.359 3.133 20 10 CGCDMO C[N@@H+](C1CC1)C1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC001203664468 812422987 /nfs/dbraw/zinc/42/29/87/812422987.db2.gz GESLYHSHSXZCQE-UHFFFAOYSA-N 1 1 294.826 3.104 20 10 CGCDMO C[N@@H+](CCc1cccc(Cl)c1)Cc1ccc(O)c(O)c1 ZINC001203882529 812479431 /nfs/dbraw/zinc/47/94/31/812479431.db2.gz KNVBTYDJMRWYST-UHFFFAOYSA-N 1 1 291.778 3.426 20 10 CGCDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001203933661 812496141 /nfs/dbraw/zinc/49/61/41/812496141.db2.gz DNTRJBKUUZDEOQ-INIZCTEOSA-N 1 1 276.424 3.142 20 10 CGCDMO COc1ccc(CC[N@@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC001203934101 812496659 /nfs/dbraw/zinc/49/66/59/812496659.db2.gz MJBGAWRZYWIONM-UHFFFAOYSA-N 1 1 298.430 3.436 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)CC2)cc1 ZINC001203937187 812497281 /nfs/dbraw/zinc/49/72/81/812497281.db2.gz QZPHEHYMHMYQCE-MAUKXSAKSA-N 1 1 290.451 3.126 20 10 CGCDMO Cc1ccccc1O[C@H]1CC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204274537 812591900 /nfs/dbraw/zinc/59/19/00/812591900.db2.gz DHYDBGXATPLTHW-INIZCTEOSA-N 1 1 299.370 3.060 20 10 CGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001204324957 812613251 /nfs/dbraw/zinc/61/32/51/812613251.db2.gz PTCCLTUTSYMFNX-GOSISDBHSA-N 1 1 286.419 3.042 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)cc(O)c1O ZINC001204345130 812616186 /nfs/dbraw/zinc/61/61/86/812616186.db2.gz MIFUPRUBNCFDAQ-ZIAGYGMSSA-N 1 1 291.391 3.261 20 10 CGCDMO CCOC(=O)C[N@H+](Cc1cc(C(C)C)ccc1O)C(C)C ZINC001204720826 812716565 /nfs/dbraw/zinc/71/65/65/812716565.db2.gz CPXJJCQGKYZTEP-UHFFFAOYSA-N 1 1 293.407 3.289 20 10 CGCDMO CCOC(=O)C[N@@H+](Cc1cc(C(C)C)ccc1O)C(C)C ZINC001204720826 812716574 /nfs/dbraw/zinc/71/65/74/812716574.db2.gz CPXJJCQGKYZTEP-UHFFFAOYSA-N 1 1 293.407 3.289 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2cc3ccccc3cc2[O-])CC[C@H]1C[NH3+] ZINC001205651521 813042407 /nfs/dbraw/zinc/04/24/07/813042407.db2.gz GDIWXDIYNVPYBG-PBHICJAKSA-N 1 1 298.430 3.352 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc3ccccc3cc2[O-])CC[C@H]1C[NH3+] ZINC001205651521 813042409 /nfs/dbraw/zinc/04/24/09/813042409.db2.gz GDIWXDIYNVPYBG-PBHICJAKSA-N 1 1 298.430 3.352 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CC[C@@H](CF)C2)c1 ZINC001207301983 813537773 /nfs/dbraw/zinc/53/77/73/813537773.db2.gz MPGXLGUZTGGYAD-LBPRGKRZSA-N 1 1 251.345 3.307 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@H]2C[C@H]3C=C[C@@H]2C3)cc1 ZINC001207632939 813621805 /nfs/dbraw/zinc/62/18/05/813621805.db2.gz WDCXQBUZUNMACW-GVDBMIGSSA-N 1 1 270.420 3.397 20 10 CGCDMO CC[N@@H+](Cc1cc2c(cn1)OCCC2)Cc1ccccc1O ZINC001209511025 814068789 /nfs/dbraw/zinc/06/87/89/814068789.db2.gz NHVFXKZRGDYCNA-UHFFFAOYSA-N 1 1 298.386 3.134 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccnc(OC)c1 ZINC001209643584 814105504 /nfs/dbraw/zinc/10/55/04/814105504.db2.gz IIBLMBRKSITCBJ-UHFFFAOYSA-N 1 1 299.418 3.178 20 10 CGCDMO Cn1c[nH+]c2cccc(Nc3ccc4c(c3)OCCN4)c21 ZINC001209788074 814139080 /nfs/dbraw/zinc/13/90/80/814139080.db2.gz DCBMACMTWNPUOQ-UHFFFAOYSA-N 1 1 280.331 3.121 20 10 CGCDMO Cc1cc([N@H+](C)c2ccc(N)cc2)ccc1N(C)C ZINC001210043305 814262418 /nfs/dbraw/zinc/26/24/18/814262418.db2.gz CXRBJPDJRVSOMH-UHFFFAOYSA-N 1 1 255.365 3.411 20 10 CGCDMO Cc1cc([N@@H+](C)c2ccc(N)cc2)ccc1N(C)C ZINC001210043305 814262422 /nfs/dbraw/zinc/26/24/22/814262422.db2.gz CXRBJPDJRVSOMH-UHFFFAOYSA-N 1 1 255.365 3.411 20 10 CGCDMO Oc1c(CN2CCC[C@@]23CCC[NH2+]C3)ccc2ccccc21 ZINC001222248273 816386378 /nfs/dbraw/zinc/38/63/78/816386378.db2.gz KEBXXDLRBSOAEH-LJQANCHMSA-N 1 1 296.414 3.263 20 10 CGCDMO COc1cc(C[N@H+]2CCc3ccccc3[C@@H]2C)c(O)cc1O ZINC001231634125 818144356 /nfs/dbraw/zinc/14/43/56/818144356.db2.gz INMSINCTPZRCCF-LBPRGKRZSA-N 1 1 299.370 3.226 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@H](C)C1 ZINC001231847777 818187153 /nfs/dbraw/zinc/18/71/53/818187153.db2.gz CVZWOWCXXBDPAG-AWEZNQCLSA-N 1 1 276.424 3.383 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001231854789 818188760 /nfs/dbraw/zinc/18/87/60/818188760.db2.gz LXPHDIQXCPZNAM-OKILXGFUSA-N 1 1 276.424 3.239 20 10 CGCDMO CCC[N@@H+](CCCN(C)C)Cc1c(C)cc(C)cc1O ZINC001231850843 818189191 /nfs/dbraw/zinc/18/91/91/818189191.db2.gz VLIQIGPDVYNTPU-UHFFFAOYSA-N 1 1 278.440 3.173 20 10 CGCDMO CCC[N@H+](CCCN(C)C)Cc1c(C)cc(C)cc1O ZINC001231850843 818189189 /nfs/dbraw/zinc/18/91/89/818189189.db2.gz VLIQIGPDVYNTPU-UHFFFAOYSA-N 1 1 278.440 3.173 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+](C)Cc1cccnc1C ZINC001231857739 818190779 /nfs/dbraw/zinc/19/07/79/818190779.db2.gz OGMIOOOTGYCGKW-UHFFFAOYSA-N 1 1 299.418 3.097 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@@H+](C)Cc1cccnc1C ZINC001231857739 818190782 /nfs/dbraw/zinc/19/07/82/818190782.db2.gz OGMIOOOTGYCGKW-UHFFFAOYSA-N 1 1 299.418 3.097 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@](C)(CO)CC2)cc1Cl ZINC001231867430 818191449 /nfs/dbraw/zinc/19/14/49/818191449.db2.gz KBXCXNINYOJKCN-INIZCTEOSA-N 1 1 297.826 3.339 20 10 CGCDMO COCC[N@@H+](Cc1ccc2ccccc2c1O)C(C)C ZINC001231881799 818200109 /nfs/dbraw/zinc/20/01/09/818200109.db2.gz ICGOFUSOOGZURJ-UHFFFAOYSA-N 1 1 273.376 3.402 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C[C@]1(C)O ZINC001231879826 818200170 /nfs/dbraw/zinc/20/01/70/818200170.db2.gz RFVNLHMQOBWDQY-ACJLOTCBSA-N 1 1 285.387 3.138 20 10 CGCDMO CC1(C)C[NH+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232198575 818275382 /nfs/dbraw/zinc/27/53/82/818275382.db2.gz WTQMPKYTQUJDQG-UHFFFAOYSA-N 1 1 294.826 3.018 20 10 CGCDMO Oc1cccc2c1C[N@@H+](Cc1nccc3ccccc31)CC2 ZINC001232252236 818293378 /nfs/dbraw/zinc/29/33/78/818293378.db2.gz NEUSJJHPAKXIAO-UHFFFAOYSA-N 1 1 290.366 3.499 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CC[C@H](C(F)(F)F)C2)cc1Cl ZINC001232264433 818298197 /nfs/dbraw/zinc/29/81/97/818298197.db2.gz BMJCQYZGGHVMKN-QMMMGPOBSA-N 1 1 295.688 3.135 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@](C)(F)CC2)c(O)c1 ZINC001232835123 818452056 /nfs/dbraw/zinc/45/20/56/818452056.db2.gz WTKABDSDJZOILH-INIZCTEOSA-N 1 1 280.387 3.172 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@](C)(O)CC2)c1 ZINC001233284056 818566659 /nfs/dbraw/zinc/56/66/59/818566659.db2.gz GMGRLIAKCKLBLK-SFHVURJKSA-N 1 1 291.435 3.427 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)ccc2O)CC[C@]1(C)O ZINC001233284036 818566680 /nfs/dbraw/zinc/56/66/80/818566680.db2.gz FJQKCVMACWGMII-UGSOOPFHSA-N 1 1 291.435 3.283 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]3C[C@@H]32)c1O ZINC001233290396 818569304 /nfs/dbraw/zinc/56/93/04/818569304.db2.gz AGNOWKUBPHLJHE-SKDRFNHKSA-N 1 1 267.756 3.039 20 10 CGCDMO C[N@H+](Cc1ccccc1)Cc1c(O)ccc(F)c1F ZINC001233331946 818583131 /nfs/dbraw/zinc/58/31/31/818583131.db2.gz RKGRVXCJPYZHAH-UHFFFAOYSA-N 1 1 263.287 3.302 20 10 CGCDMO C[N@@H+](Cc1ccccc1)Cc1c(O)ccc(F)c1F ZINC001233331946 818583137 /nfs/dbraw/zinc/58/31/37/818583137.db2.gz RKGRVXCJPYZHAH-UHFFFAOYSA-N 1 1 263.287 3.302 20 10 CGCDMO C[N@H+](CCc1ccc(F)cc1)Cc1c(O)ccc(F)c1F ZINC001233334995 818585162 /nfs/dbraw/zinc/58/51/62/818585162.db2.gz CLNHRXVXKNFBFJ-UHFFFAOYSA-N 1 1 295.304 3.484 20 10 CGCDMO C[N@@H+](CCc1ccc(F)cc1)Cc1c(O)ccc(F)c1F ZINC001233334995 818585167 /nfs/dbraw/zinc/58/51/67/818585167.db2.gz CLNHRXVXKNFBFJ-UHFFFAOYSA-N 1 1 295.304 3.484 20 10 CGCDMO C[C@H]1CC[N@H+](Cc2c(O)ccc(F)c2F)[C@@H](C)C1 ZINC001233335403 818586060 /nfs/dbraw/zinc/58/60/60/818586060.db2.gz SZZBPJABPDKREU-UWVGGRQHSA-N 1 1 255.308 3.291 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2c(O)ccc(F)c2F)[C@@H](C)C1 ZINC001233335403 818586068 /nfs/dbraw/zinc/58/60/68/818586068.db2.gz SZZBPJABPDKREU-UWVGGRQHSA-N 1 1 255.308 3.291 20 10 CGCDMO C[N@@H+](Cc1c(O)ccc(F)c1F)C[C@H]1CC1(C)C ZINC001233335435 818588452 /nfs/dbraw/zinc/58/84/52/818588452.db2.gz VESCUULBZPEIST-SECBINFHSA-N 1 1 255.308 3.148 20 10 CGCDMO C[N@H+](Cc1c(O)ccc(F)c1F)C[C@H]1CC1(C)C ZINC001233335435 818588455 /nfs/dbraw/zinc/58/84/55/818588455.db2.gz VESCUULBZPEIST-SECBINFHSA-N 1 1 255.308 3.148 20 10 CGCDMO COCC[N@@H+](C)Cc1cccc(-c2ccccc2)c1O ZINC001234990640 818969771 /nfs/dbraw/zinc/96/97/71/818969771.db2.gz IYWUOEQVOKTFRO-UHFFFAOYSA-N 1 1 271.360 3.137 20 10 CGCDMO CN1CC[C@@H]([N@@H+](C)Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234996921 818972664 /nfs/dbraw/zinc/97/26/64/818972664.db2.gz PVJFHWXOMXEBJP-QGZVFWFLSA-N 1 1 296.414 3.195 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235674631 819134690 /nfs/dbraw/zinc/13/46/90/819134690.db2.gz HETZSFIYNYWALB-OAHLLOKOSA-N 1 1 277.408 3.301 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2O)CCC[C@H]1O ZINC001235676364 819137318 /nfs/dbraw/zinc/13/73/18/819137318.db2.gz RDUKAZWFBMGOSM-CZUORRHYSA-N 1 1 291.435 3.283 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CCOC3(CC3)C2)c(O)c1 ZINC001235681748 819140323 /nfs/dbraw/zinc/14/03/23/819140323.db2.gz PWMDJRSXOVANSK-UHFFFAOYSA-N 1 1 275.392 3.055 20 10 CGCDMO CN(C)c1ccc(C[N@@H+]2CCNC(C)(C)C2)c2ccccc21 ZINC001235833380 819179366 /nfs/dbraw/zinc/17/93/66/819179366.db2.gz OYDAZGXLDKXKTN-UHFFFAOYSA-N 1 1 297.446 3.090 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCNC(C)(C)C2)c2ccccc21 ZINC001235833380 819179369 /nfs/dbraw/zinc/17/93/69/819179369.db2.gz OYDAZGXLDKXKTN-UHFFFAOYSA-N 1 1 297.446 3.090 20 10 CGCDMO C[NH2+]C[C@H]1CCN(Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001236065682 819297074 /nfs/dbraw/zinc/29/70/74/819297074.db2.gz CJGFGTYJFOHYMM-GOSISDBHSA-N 1 1 297.446 3.135 20 10 CGCDMO C[NH2+]C[C@@H]1CCN(Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001236067699 819297963 /nfs/dbraw/zinc/29/79/63/819297963.db2.gz UDYNYIBIYWTGAF-KRWDZBQOSA-N 1 1 297.446 3.135 20 10 CGCDMO CCc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3(COC)C2)c(O)c1 ZINC001236789026 819595468 /nfs/dbraw/zinc/59/54/68/819595468.db2.gz ZWCNOKCEAMYICC-AEFFLSMTSA-N 1 1 289.419 3.203 20 10 CGCDMO CCCC[N@H+](CC(=O)OCC)Cc1ccc(CC)cc1O ZINC001236791464 819595794 /nfs/dbraw/zinc/59/57/94/819595794.db2.gz HNYBAKDVNIFMAH-UHFFFAOYSA-N 1 1 293.407 3.120 20 10 CGCDMO CCCC[N@@H+](CC(=O)OCC)Cc1ccc(CC)cc1O ZINC001236791464 819595797 /nfs/dbraw/zinc/59/57/97/819595797.db2.gz HNYBAKDVNIFMAH-UHFFFAOYSA-N 1 1 293.407 3.120 20 10 CGCDMO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1cc(Cl)c(Cl)cc1O ZINC001236798106 819600643 /nfs/dbraw/zinc/60/06/43/819600643.db2.gz GSPICCIJOZJITJ-PSASIEDQSA-N 1 1 290.190 3.044 20 10 CGCDMO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1cc(Cl)c(Cl)cc1O ZINC001236798106 819600648 /nfs/dbraw/zinc/60/06/48/819600648.db2.gz GSPICCIJOZJITJ-PSASIEDQSA-N 1 1 290.190 3.044 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)CCC2CC2)c(Cl)c1 ZINC001236807595 819601915 /nfs/dbraw/zinc/60/19/15/819601915.db2.gz IGSSRVKMCFNIRY-UHFFFAOYSA-N 1 1 269.772 3.286 20 10 CGCDMO COc1ccc(C[N@@H+]2C[C@H](C)CC23CC3)c(O)c1Cl ZINC001236809722 819604701 /nfs/dbraw/zinc/60/47/01/819604701.db2.gz NWFPAZXJLUEJAG-SNVBAGLBSA-N 1 1 281.783 3.429 20 10 CGCDMO COc1ccc(C[N@H+]2C[C@H](C)CC23CC3)c(O)c1Cl ZINC001236809722 819604707 /nfs/dbraw/zinc/60/47/07/819604707.db2.gz 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/nfs/dbraw/zinc/65/22/84/819652284.db2.gz QPWYSFCUXJYXNT-OAHLLOKOSA-N 1 1 263.381 3.126 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCCCC23COC3)c(O)c1 ZINC001237053246 819652583 /nfs/dbraw/zinc/65/25/83/819652583.db2.gz HPSHAXLSROANID-UHFFFAOYSA-N 1 1 275.392 3.271 20 10 CGCDMO CC(C)c1ccc(CN2CC[C@H]([N@H+](C)C(C)C)C2)c(O)c1 ZINC001237055391 819654354 /nfs/dbraw/zinc/65/43/54/819654354.db2.gz OANRWTRPWZHGSW-KRWDZBQOSA-N 1 1 290.451 3.430 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CC[C@H](N(C)C(C)C)C2)c(O)c1 ZINC001237055391 819654356 /nfs/dbraw/zinc/65/43/56/819654356.db2.gz OANRWTRPWZHGSW-KRWDZBQOSA-N 1 1 290.451 3.430 20 10 CGCDMO CC(C)c1ccc(C[N@@H+]2CC[C@H](N(C)C(C)C)C2)c(O)c1 ZINC001237055391 819654358 /nfs/dbraw/zinc/65/43/58/819654358.db2.gz OANRWTRPWZHGSW-KRWDZBQOSA-N 1 1 290.451 3.430 20 10 CGCDMO CC(C)c1ccc(C[N@@H+](C)Cc2ccno2)c(O)c1 ZINC001237054815 819655009 /nfs/dbraw/zinc/65/50/09/819655009.db2.gz HJBFQYUHBZBIBD-UHFFFAOYSA-N 1 1 260.337 3.136 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)C(C)C)c(Br)c1 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C[N@@H+](Cc1cc(-c2ccc(F)cc2)ccc1O)C1COC1 ZINC001237648036 819796704 /nfs/dbraw/zinc/79/67/04/819796704.db2.gz WVLIEARHUSGCJT-UHFFFAOYSA-N 1 1 287.334 3.029 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]3C[C@H]32)c1O ZINC001237688889 819809340 /nfs/dbraw/zinc/80/93/40/819809340.db2.gz KCPAZVARWVRHMA-GXFFZTMASA-N 1 1 251.757 3.338 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CC[C@H](C(F)(F)F)C2)c1O ZINC001238063334 819921589 /nfs/dbraw/zinc/92/15/89/819921589.db2.gz VSDXGLDTJOZAND-JTQLQIEISA-N 1 1 277.261 3.224 20 10 CGCDMO Cc1[nH+]c(N)ccc1C1=CCN(c2ccccc2)CC1 ZINC001241354319 821755936 /nfs/dbraw/zinc/75/59/36/821755936.db2.gz KDLRQMPPCQXYRS-UHFFFAOYSA-N 1 1 265.360 3.266 20 10 CGCDMO Cn1ccc2c1cc[nH+]c2-c1cnc2cccnc2c1 ZINC001241381250 821780836 /nfs/dbraw/zinc/78/08/36/821780836.db2.gz NXWUHGHFOTWZTD-UHFFFAOYSA-N 1 1 260.300 3.184 20 10 CGCDMO Cc1cccc(OCC[N@H+](C)Cc2ccc(N)cc2)c1 ZINC001356082828 937152795 /nfs/dbraw/zinc/15/27/95/937152795.db2.gz FFAXNBIMWYWUTM-UHFFFAOYSA-N 1 1 270.376 3.088 20 10 CGCDMO Cc1ccnc([C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3)C2)c1 ZINC000846970636 928204979 /nfs/dbraw/zinc/20/49/79/928204979.db2.gz RHDLZHXOTIKKRE-QGZVFWFLSA-N 1 1 295.430 3.446 20 10 CGCDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000399505274 928808392 /nfs/dbraw/zinc/80/83/92/928808392.db2.gz LWXQZZWLNNMTAT-QMTHXVAHSA-N 1 1 279.355 3.354 20 10 CGCDMO C[C@](CO)([NH2+]Cc1cc(F)cc(F)c1O)C1CCCCC1 ZINC001461235621 937571395 /nfs/dbraw/zinc/57/13/95/937571395.db2.gz PUSUKOAQAXFUDM-MRXNPFEDSA-N 1 1 299.361 3.091 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCC[C@](C)(OC)CC2)c(O)c1 ZINC001462201619 937625103 /nfs/dbraw/zinc/62/51/03/937625103.db2.gz PCUYUMRPZRQHIY-KRWDZBQOSA-N 1 1 293.407 3.100 20 10 CGCDMO CCCn1cncc1C[N@@H+](CCC)Cc1ccccc1O ZINC001308617275 933143407 /nfs/dbraw/zinc/14/34/07/933143407.db2.gz NORNOYBXYZVXLZ-UHFFFAOYSA-N 1 1 287.407 3.411 20 10 CGCDMO CCOC[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001319718552 933921160 /nfs/dbraw/zinc/92/11/60/933921160.db2.gz RQFKWFWZBMDYSO-QGZVFWFLSA-N 1 1 288.435 3.145 20 10 CGCDMO CC[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1C ZINC001473403260 937805641 /nfs/dbraw/zinc/80/56/41/937805641.db2.gz TUCYKGKLTLRFMB-RDJZCZTQSA-N 1 1 288.435 3.144 20 10 CGCDMO [NH3+][C@@H](CNCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001326076874 934949161 /nfs/dbraw/zinc/94/91/61/934949161.db2.gz RKRRVIHHCMPVHE-IBGZPJMESA-N 1 1 295.430 3.076 20 10 CGCDMO c1cc(N2CCCC2)ccc1CN(C1CC1)C1CC[NH2+]CC1 ZINC001326222321 934961523 /nfs/dbraw/zinc/96/15/23/934961523.db2.gz NPPCIEIJGOIQCG-UHFFFAOYSA-N 1 1 299.462 3.003 20 10 CGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@@H](CF)C2)c1 ZINC001331035930 935342915 /nfs/dbraw/zinc/34/29/15/935342915.db2.gz IQEVKOARQVHTIO-NSHDSACASA-N 1 1 281.371 3.187 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC001331287852 935365414 /nfs/dbraw/zinc/36/54/14/935365414.db2.gz CHLMJDONDMKZGR-MWLCHTKSSA-N 1 1 259.271 3.041 20 10 CGCDMO Cc1ccc(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c(O)c1 ZINC001331742035 935406953 /nfs/dbraw/zinc/40/69/53/935406953.db2.gz 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/nfs/dbraw/zinc/85/92/99/937859299.db2.gz TVBUFYBPPCZWCY-UHFFFAOYSA-N 1 1 293.407 3.254 20 10 CGCDMO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(C)cc1O ZINC001474426252 937859301 /nfs/dbraw/zinc/85/93/01/937859301.db2.gz TVBUFYBPPCZWCY-UHFFFAOYSA-N 1 1 293.407 3.254 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@@H](C(C)(C)O)C2)c1 ZINC001474697979 937875689 /nfs/dbraw/zinc/87/56/89/937875689.db2.gz HNIFJRRNMMAKNO-MRXNPFEDSA-N 1 1 291.435 3.499 20 10 CGCDMO OC[C@@H](CC1CCCCC1)[NH2+]Cc1cc(F)cc(F)c1O ZINC001560510187 938260900 /nfs/dbraw/zinc/26/09/00/938260900.db2.gz IZRYNPBBEUPAHH-CQSZACIVSA-N 1 1 299.361 3.091 20 10 CGCDMO C[C@H]1CCC[C@H](C[NH2+]Cc2c(O)cccc2F)C1 ZINC001561015576 938289547 /nfs/dbraw/zinc/28/95/47/938289547.db2.gz AGYZKQPMJFCBNC-RYUDHWBXSA-N 1 1 251.345 3.447 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCO[C@@H](C(C)(C)C)CC2)c1 ZINC001561052314 938291999 /nfs/dbraw/zinc/29/19/99/938291999.db2.gz YDLITLQPQNNWRT-MRXNPFEDSA-N 1 1 293.407 3.038 20 10 CGCDMO CNc1ccc(NC/C=C/c2ccc(N(C)C)cc2)c[nH+]1 ZINC001578759869 962602224 /nfs/dbraw/zinc/60/22/24/962602224.db2.gz ADJXFRPQXNDPBE-SNAWJCMRSA-N 1 1 282.391 3.315 20 10 CGCDMO C[C@@H](N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccccc1O ZINC001579414934 962627325 /nfs/dbraw/zinc/62/73/25/962627325.db2.gz PSDGMQGPWXWZLT-OLMNPRSZSA-N 1 1 296.414 3.189 20 10 CGCDMO C[C@@H](N[C@H]1C[NH2+]CC[C@H]1c1ccccc1)c1ccccc1O ZINC001579414933 962632205 /nfs/dbraw/zinc/63/22/05/962632205.db2.gz PSDGMQGPWXWZLT-JLSDUUJJSA-N 1 1 296.414 3.189 20 10 CGCDMO CCC[C@]1(COC)CCC[N@H+]1Cc1cccc(OC)c1O ZINC000195198105 284084530 /nfs/dbraw/zinc/08/45/30/284084530.db2.gz SLEDRURBTDPDCO-QGZVFWFLSA-N 1 1 293.407 3.182 20 10 CGCDMO Cc1cc(C[N@H+](C)Cc2ccccc2O)cc(C)c1O ZINC000289202315 371752003 /nfs/dbraw/zinc/75/20/03/371752003.db2.gz VOTDFHWWQJPXBL-UHFFFAOYSA-N 1 1 271.360 3.347 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCCc3occc3C2)c1O ZINC000289250859 371752491 /nfs/dbraw/zinc/75/24/91/371752491.db2.gz BBAGLZGLJGFWCG-UHFFFAOYSA-N 1 1 287.359 3.332 20 10 CGCDMO CCCOc1ccc(C[N@@H+](C)C[C@H]2CCCOC2)c(O)c1 ZINC000156032272 371957842 /nfs/dbraw/zinc/95/78/42/371957842.db2.gz WDSLOBGSELBINB-CQSZACIVSA-N 1 1 293.407 3.039 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000160245057 372230236 /nfs/dbraw/zinc/23/02/36/372230236.db2.gz NKDAUMLFLSWREC-SNVBAGLBSA-N 1 1 277.261 3.306 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000160245057 372230238 /nfs/dbraw/zinc/23/02/38/372230238.db2.gz NKDAUMLFLSWREC-SNVBAGLBSA-N 1 1 277.261 3.306 20 10 CGCDMO CC[C@H](O)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000293616388 372425625 /nfs/dbraw/zinc/42/56/25/372425625.db2.gz JKRHUZUDONBZSI-SFYZADRCSA-N 1 1 278.179 3.121 20 10 CGCDMO C[N@@H+](CCc1ccncc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000293660755 372441173 /nfs/dbraw/zinc/44/11/73/372441173.db2.gz POLJPXWKNUCYEE-UHFFFAOYSA-N 1 1 294.757 3.254 20 10 CGCDMO C[N@H+](CCc1ccncc1)Cc1cc(Cl)c(F)cc1O ZINC000293660755 372441177 /nfs/dbraw/zinc/44/11/77/372441177.db2.gz POLJPXWKNUCYEE-UHFFFAOYSA-N 1 1 294.757 3.254 20 10 CGCDMO C[N@@H+](CCc1ccncc1)Cc1cc(Cl)c(F)cc1O ZINC000293660755 372441181 /nfs/dbraw/zinc/44/11/81/372441181.db2.gz POLJPXWKNUCYEE-UHFFFAOYSA-N 1 1 294.757 3.254 20 10 CGCDMO CO[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)[C@@H](C)C1 ZINC000294743625 372670785 /nfs/dbraw/zinc/67/07/85/372670785.db2.gz QYKLCZMCYWCMBN-ONGXEEELSA-N 1 1 287.762 3.184 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)[C@@H](C)C1 ZINC000294743625 372670792 /nfs/dbraw/zinc/67/07/92/372670792.db2.gz QYKLCZMCYWCMBN-ONGXEEELSA-N 1 1 287.762 3.184 20 10 CGCDMO CO[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)[C@H](C)C1 ZINC000294743607 372670965 /nfs/dbraw/zinc/67/09/65/372670965.db2.gz QYKLCZMCYWCMBN-KOLCDFICSA-N 1 1 287.762 3.184 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)[C@H](C)C1 ZINC000294743607 372670971 /nfs/dbraw/zinc/67/09/71/372670971.db2.gz QYKLCZMCYWCMBN-KOLCDFICSA-N 1 1 287.762 3.184 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](OC)C(C)(C)C2)c1 ZINC000295052971 372688281 /nfs/dbraw/zinc/68/82/81/372688281.db2.gz PPUFLWSVEGBNQO-MRXNPFEDSA-N 1 1 293.407 3.038 20 10 CGCDMO COC[C@@]1(C)CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000295135142 372694926 /nfs/dbraw/zinc/69/49/26/372694926.db2.gz PBHIHGYFKYHYHK-AWEZNQCLSA-N 1 1 287.762 3.043 20 10 CGCDMO COC[C@@]1(C)CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000295135142 372694930 /nfs/dbraw/zinc/69/49/30/372694930.db2.gz PBHIHGYFKYHYHK-AWEZNQCLSA-N 1 1 287.762 3.043 20 10 CGCDMO CS[C@H]1CCCC[N@@H+](Cc2ccccc2O)C1 ZINC000179586890 373890862 /nfs/dbraw/zinc/89/08/62/373890862.db2.gz AUJWBPBVQGKWEZ-ZDUSSCGKSA-N 1 1 251.395 3.110 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H]2c2cccn2C)c1 ZINC000179598516 373894127 /nfs/dbraw/zinc/89/41/27/373894127.db2.gz YNDMMXQMUIESSG-INIZCTEOSA-N 1 1 286.375 3.076 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](C)[C@H]2C)cc1OC ZINC000179942061 373944907 /nfs/dbraw/zinc/94/49/07/373944907.db2.gz RYLSGLCUACMSDD-VXGBXAGGSA-N 1 1 279.380 3.030 20 10 CGCDMO COCC[N@@H+](Cc1ccc(C)o1)Cc1cc(F)ccc1O ZINC000180209908 373979134 /nfs/dbraw/zinc/97/91/34/373979134.db2.gz AHKVIGQEHRMGKY-UHFFFAOYSA-N 1 1 293.338 3.081 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCCC[C@H](SC)C2)c1 ZINC000180763415 374043259 /nfs/dbraw/zinc/04/32/59/374043259.db2.gz XNZRWVDBMWLWMD-AWEZNQCLSA-N 1 1 281.421 3.118 20 10 CGCDMO COc1cc(O)c(C[N@@H+]([C@H](C)C(C)C)C2CC2)cc1OC ZINC000183446459 374416556 /nfs/dbraw/zinc/41/65/56/374416556.db2.gz YYOWFQAUMDIQDI-GFCCVEGCSA-N 1 1 293.407 3.418 20 10 CGCDMO CC[C@]1(CO)CCC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000190219042 375487301 /nfs/dbraw/zinc/48/73/01/375487301.db2.gz MKUDAJBVFQFIPB-INIZCTEOSA-N 1 1 297.826 3.339 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1O ZINC000271711909 378500537 /nfs/dbraw/zinc/50/05/37/378500537.db2.gz BBDSSNLGPUCGKO-HNNXBMFYSA-N 1 1 256.349 3.366 20 10 CGCDMO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2O)n[nH]1 ZINC000273354489 378742409 /nfs/dbraw/zinc/74/24/09/378742409.db2.gz CJILGRNWOCHUDT-BXUZGUMPSA-N 1 1 287.407 3.322 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(C)c2)c1 ZINC000273441300 378745112 /nfs/dbraw/zinc/74/51/12/378745112.db2.gz YMWNUYHTIRWPEH-CYBMUJFWSA-N 1 1 299.370 3.338 20 10 CGCDMO CCC1(C[NH2+][C@@H](C)c2ccc(F)cc2O)CCOCC1 ZINC000273607886 378756556 /nfs/dbraw/zinc/75/65/56/378756556.db2.gz URRRIBGOBCLOKJ-LBPRGKRZSA-N 1 1 281.371 3.389 20 10 CGCDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2cc(F)ccc2O)no1 ZINC000371536956 379167582 /nfs/dbraw/zinc/16/75/82/379167582.db2.gz WHXSJBGEBVFTRZ-AWEZNQCLSA-N 1 1 276.311 3.165 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2C2CC2)c1 ZINC000371419257 379162582 /nfs/dbraw/zinc/16/25/82/379162582.db2.gz KFGVKVRAGUBMSZ-HNNXBMFYSA-N 1 1 261.365 3.165 20 10 CGCDMO CC1CCN(c2ccc(C[NH2+]Cc3cocn3)cc2)CC1 ZINC000192310398 542264483 /nfs/dbraw/zinc/26/44/83/542264483.db2.gz PJUFXQKRZOBPFW-UHFFFAOYSA-N 1 1 285.391 3.201 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2C2CC2)c1O ZINC000371859769 379178872 /nfs/dbraw/zinc/17/88/72/379178872.db2.gz YDPQFDSTXWYCDH-HNNXBMFYSA-N 1 1 277.339 3.108 20 10 CGCDMO C[C@@H]1COCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000372231378 379192639 /nfs/dbraw/zinc/19/26/39/379192639.db2.gz MDARAYYCKLGOLC-ZDUSSCGKSA-N 1 1 271.360 3.014 20 10 CGCDMO C[N@@H+](CCCCCF)Cc1ccc(N2CCOCC2)cc1 ZINC000284058373 380120633 /nfs/dbraw/zinc/12/06/33/380120633.db2.gz JXVIMYXVHWBIBA-UHFFFAOYSA-N 1 1 294.414 3.095 20 10 CGCDMO CC[C@H]([NH2+]CC(O)(CC)CC)c1ccc(F)cc1O ZINC000286148350 380166124 /nfs/dbraw/zinc/16/61/24/380166124.db2.gz PGVMKTYGTHTZEM-ZDUSSCGKSA-N 1 1 269.360 3.123 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H](OC)C(C)C)c1ccc(F)cc1O ZINC000286153155 380167568 /nfs/dbraw/zinc/16/75/68/380167568.db2.gz PNFWABLJFXZUDB-DZGCQCFKSA-N 1 1 269.360 3.243 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc(F)cc1O ZINC000286165546 380168878 /nfs/dbraw/zinc/16/88/78/380168878.db2.gz QBQZIUOASHKOAQ-HZMBPMFUSA-N 1 1 277.343 3.067 20 10 CGCDMO CC[C@H]([NH2+]C[C@H]1CCCN1CC)c1ccc(F)cc1O ZINC000285685517 380152637 /nfs/dbraw/zinc/15/26/37/380152637.db2.gz OESWJATWTAELAV-HIFRSBDPSA-N 1 1 280.387 3.056 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cc(Cl)ccc1O ZINC000363866764 382259922 /nfs/dbraw/zinc/25/99/22/382259922.db2.gz PGGUNZRGEGBLEW-NOZJJQNGSA-N 1 1 291.782 3.497 20 10 CGCDMO COc1cccc(C[N@@H+](C)Cc2ccc(C)s2)c1O ZINC000093049386 392234569 /nfs/dbraw/zinc/23/45/69/392234569.db2.gz IPBHFAMFXRNNFR-UHFFFAOYSA-N 1 1 277.389 3.403 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@H](C)CCSC)c1 ZINC000093558922 392238561 /nfs/dbraw/zinc/23/85/61/392238561.db2.gz GSYKARYYDCDFFZ-GFCCVEGCSA-N 1 1 283.437 3.364 20 10 CGCDMO CC[NH+](CC)C[C@@H]1CCN(Cc2cc(C)c(C)cc2O)C1 ZINC000173433258 392625873 /nfs/dbraw/zinc/62/58/73/392625873.db2.gz LQHMJAMYYZHUTN-INIZCTEOSA-N 1 1 290.451 3.173 20 10 CGCDMO CC[C@H]([NH2+]CCCN1CCCCC1)c1ccccc1O ZINC000020128825 171016456 /nfs/dbraw/zinc/01/64/56/171016456.db2.gz TYNOBYVBIXEZOH-INIZCTEOSA-N 1 1 276.424 3.309 20 10 CGCDMO COc1cccc(C[N@@H+]([C@@H](C)C(C)C)C2CC2)c1O ZINC000156983095 261136632 /nfs/dbraw/zinc/13/66/32/261136632.db2.gz NVKSOIIAYRFCQM-LBPRGKRZSA-N 1 1 263.381 3.410 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccc(F)cc1O ZINC000157930282 261155311 /nfs/dbraw/zinc/15/53/11/261155311.db2.gz IITNXTGYAYSKEY-NKFCBESUSA-N 1 1 279.355 3.140 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2ccc(C)o2)c1 ZINC000160870865 261229357 /nfs/dbraw/zinc/22/93/57/261229357.db2.gz VFACOIAMEPMNNS-UHFFFAOYSA-N 1 1 275.348 3.324 20 10 CGCDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCCO1 ZINC000161388086 261245918 /nfs/dbraw/zinc/24/59/18/261245918.db2.gz KXGOSUXELUIBIV-GOSISDBHSA-N 1 1 288.435 3.288 20 10 CGCDMO Cc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185435269 262054279 /nfs/dbraw/zinc/05/42/79/262054279.db2.gz YXZOZLFNXISRIK-SJKOYZFVSA-N 1 1 289.350 3.224 20 10 CGCDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccccc2O)n1 ZINC000179576033 329209567 /nfs/dbraw/zinc/20/95/67/329209567.db2.gz DCPMCBMDNJAYQJ-MRXNPFEDSA-N 1 1 268.360 3.433 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000179579408 329209645 /nfs/dbraw/zinc/20/96/45/329209645.db2.gz NQDJAICMPNQMHY-LJQANCHMSA-N 1 1 295.382 3.066 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CC1CC=CC1 ZINC000527746964 330280668 /nfs/dbraw/zinc/28/06/68/330280668.db2.gz XSZANWJONYMWIX-UHFFFAOYSA-N 1 1 255.720 3.241 20 10 CGCDMO CCOc1cccc(C[N@@H+](Cc2ccccn2)C2CC2)c1O ZINC000290394252 521332742 /nfs/dbraw/zinc/33/27/42/521332742.db2.gz JABUDYOEODTZGE-UHFFFAOYSA-N 1 1 298.386 3.351 20 10 CGCDMO CCC[N@@H+](Cc1ccc(F)cn1)Cc1ccccc1O ZINC000276218191 521684250 /nfs/dbraw/zinc/68/42/50/521684250.db2.gz LSYMXFBRPNQMDY-UHFFFAOYSA-N 1 1 274.339 3.339 20 10 CGCDMO CC[C@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(F)cc1O ZINC000286277749 522706559 /nfs/dbraw/zinc/70/65/59/522706559.db2.gz VQJKVKVRKGBJEL-HOTGVXAUSA-N 1 1 289.350 3.306 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(C)ccc2O)CCS1 ZINC000093502346 523282718 /nfs/dbraw/zinc/28/27/18/523282718.db2.gz DCTROWIHSZFZIF-ZDUSSCGKSA-N 1 1 251.395 3.028 20 10 CGCDMO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccccc1O ZINC000037786230 525293202 /nfs/dbraw/zinc/29/32/02/525293202.db2.gz POLUJBGXUOIUNC-ZDUSSCGKSA-N 1 1 276.424 3.306 20 10 CGCDMO Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)nn1C ZINC000282307040 525465691 /nfs/dbraw/zinc/46/56/91/525465691.db2.gz SWJDUTVBMUTRQX-OAHLLOKOSA-N 1 1 298.434 3.180 20 10 CGCDMO [O-]c1cccc(Cl)c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278474350 526362572 /nfs/dbraw/zinc/36/25/72/526362572.db2.gz IEQHMSILMHMOPM-UHFFFAOYSA-N 1 1 294.826 3.010 20 10 CGCDMO Cc1nc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cs1 ZINC000036915395 527032811 /nfs/dbraw/zinc/03/28/11/527032811.db2.gz OFMCDPMZVWVXAB-LLVKDONJSA-N 1 1 275.421 3.368 20 10 CGCDMO CC(C)C[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000307771487 618077957 /nfs/dbraw/zinc/07/79/57/618077957.db2.gz GMSBEBCFLCBRHM-LBPRGKRZSA-N 1 1 251.345 3.399 20 10 CGCDMO CC(C)C[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000307771487 618077961 /nfs/dbraw/zinc/07/79/61/618077961.db2.gz GMSBEBCFLCBRHM-LBPRGKRZSA-N 1 1 251.345 3.399 20 10 CGCDMO COc1cc(O)c(C[N@H+]2C[C@@H](C)CCC[C@@H]2C)cc1OC ZINC000160289054 617874020 /nfs/dbraw/zinc/87/40/20/617874020.db2.gz YVIYBUDPGRLAPW-STQMWFEESA-N 1 1 293.407 3.420 20 10 CGCDMO CC(C)[C@H](C[NH2+]Cc1c(O)cccc1Cl)N1CCCC1 ZINC000083551801 618009865 /nfs/dbraw/zinc/00/98/65/618009865.db2.gz BUQFSKKEPIODHV-HNNXBMFYSA-N 1 1 296.842 3.256 20 10 CGCDMO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(N(C)C)cc1 ZINC000161039363 618236987 /nfs/dbraw/zinc/23/69/87/618236987.db2.gz REKWXJJEGQCISP-ZVZYQTTQSA-N 1 1 289.467 3.276 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCOC3(CCC3)C2)cc1 ZINC000093640635 618402382 /nfs/dbraw/zinc/40/23/82/618402382.db2.gz GFMFBFWTWRMJOV-UHFFFAOYSA-N 1 1 288.435 3.288 20 10 CGCDMO C[C@@H]([NH2+]CCF)c1cc(Cl)c(Cl)cc1O ZINC000309160216 618643008 /nfs/dbraw/zinc/64/30/08/618643008.db2.gz YQJULLUATUFXAT-ZCFIWIBFSA-N 1 1 252.116 3.319 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1ncc[nH]1 ZINC000286052969 618762876 /nfs/dbraw/zinc/76/28/76/618762876.db2.gz LBWYNPDGFRIXLM-HNNXBMFYSA-N 1 1 298.434 3.497 20 10 CGCDMO C[C@@H]([NH2+]Cc1cc[nH]n1)c1ccc(N2CCCCC2)cc1 ZINC000177954035 618852126 /nfs/dbraw/zinc/85/21/26/618852126.db2.gz WBCGESCLDLGHRM-CQSZACIVSA-N 1 1 284.407 3.251 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccc(F)cc1O ZINC000310980202 618882888 /nfs/dbraw/zinc/88/28/88/618882888.db2.gz QVJZWFGRBCOCAH-WPRPVWTQSA-N 1 1 259.271 3.370 20 10 CGCDMO CC(C)(C)[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000163869084 618891586 /nfs/dbraw/zinc/89/15/86/618891586.db2.gz PTNVGHDMOJYAPW-LBPRGKRZSA-N 1 1 251.345 3.399 20 10 CGCDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000163869084 618891587 /nfs/dbraw/zinc/89/15/87/618891587.db2.gz PTNVGHDMOJYAPW-LBPRGKRZSA-N 1 1 251.345 3.399 20 10 CGCDMO COc1ccc(O)c(C[N@@H+]([C@H](C)C(C)C)C2CC2)c1 ZINC000183446520 619044762 /nfs/dbraw/zinc/04/47/62/619044762.db2.gz PCXNCLWJOSETOT-GFCCVEGCSA-N 1 1 263.381 3.410 20 10 CGCDMO COc1ccc(O)c(C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)c1 ZINC000014990071 619111223 /nfs/dbraw/zinc/11/12/23/619111223.db2.gz FPTFKTUYCUYPPG-ZDUSSCGKSA-N 1 1 299.370 3.184 20 10 CGCDMO CCC[N@@H+](Cc1cnc(CC)nc1)Cc1ccccc1O ZINC000840912210 619122346 /nfs/dbraw/zinc/12/23/46/619122346.db2.gz CLMRSITVMMEJIK-UHFFFAOYSA-N 1 1 285.391 3.157 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](COC)C2)cc1 ZINC000093338100 619185704 /nfs/dbraw/zinc/18/57/04/619185704.db2.gz JPVQNSHKJHUQFI-KRWDZBQOSA-N 1 1 290.451 3.391 20 10 CGCDMO C[C@@H]([NH2+]C[C@H](C)N1CCC(C)CC1)c1ccc(F)cc1O ZINC000185227363 625325003 /nfs/dbraw/zinc/32/50/03/625325003.db2.gz WTJHTBXBNBEZOR-UONOGXRCSA-N 1 1 294.414 3.302 20 10 CGCDMO CCN(CC)c1ccc(CN[C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000314951432 619239112 /nfs/dbraw/zinc/23/91/12/619239112.db2.gz NWNIIBMLPBKALG-INIZCTEOSA-N 1 1 291.483 3.351 20 10 CGCDMO CCN(CC)c1ccc(CN[C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000314951432 619239114 /nfs/dbraw/zinc/23/91/14/619239114.db2.gz NWNIIBMLPBKALG-INIZCTEOSA-N 1 1 291.483 3.351 20 10 CGCDMO COc1cc(C)cc(CNc2cccc(C)[nH+]2)c1O ZINC000894196927 619409889 /nfs/dbraw/zinc/40/98/89/619409889.db2.gz ITIBIPYTPFDMEP-UHFFFAOYSA-N 1 1 258.321 3.025 20 10 CGCDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1O)CC(C)(C)C ZINC000894575705 619579499 /nfs/dbraw/zinc/57/94/99/619579499.db2.gz VEJVJZUSDBPMHS-UHFFFAOYSA-N 1 1 281.396 3.277 20 10 CGCDMO CCCC[N@@H+](Cc1ocnc1C)Cc1ccccc1O ZINC000894679041 619602022 /nfs/dbraw/zinc/60/20/22/619602022.db2.gz JFDWWFAIFOIZAV-UHFFFAOYSA-N 1 1 274.364 3.491 20 10 CGCDMO COc1ccc(C[N@H+]2CCCC3(CC3)CC2)c(O)c1OC ZINC000895665305 619868324 /nfs/dbraw/zinc/86/83/24/619868324.db2.gz GHOQSAMLOSANPK-UHFFFAOYSA-N 1 1 291.391 3.176 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895844430 619892761 /nfs/dbraw/zinc/89/27/61/619892761.db2.gz FOTGYTBAMMZKMT-ZUZCIYMTSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895844430 619892762 /nfs/dbraw/zinc/89/27/62/619892762.db2.gz FOTGYTBAMMZKMT-ZUZCIYMTSA-N 1 1 299.773 3.186 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)c1 ZINC000896233798 619972728 /nfs/dbraw/zinc/97/27/28/619972728.db2.gz WYTYUFPKLOBNFI-QFBILLFUSA-N 1 1 295.382 3.174 20 10 CGCDMO Cc1csc(C[C@@H]2CC[N@@H+](Cc3ccccc3O)C2)n1 ZINC000897298991 620185533 /nfs/dbraw/zinc/18/55/33/620185533.db2.gz PXUSYIPLWAOYQS-ZDUSSCGKSA-N 1 1 288.416 3.222 20 10 CGCDMO Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2O)c1 ZINC000109771054 620321816 /nfs/dbraw/zinc/32/18/16/620321816.db2.gz CAESZNSACQHAAF-AWEZNQCLSA-N 1 1 298.386 3.160 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccc(Cl)cc1O ZINC000841749033 620369489 /nfs/dbraw/zinc/36/94/89/620369489.db2.gz BFIDZRJNSALYPO-WZRBSPASSA-N 1 1 283.799 3.247 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000898512162 620594064 /nfs/dbraw/zinc/59/40/64/620594064.db2.gz IINYIGTWHHMGBR-HZPDHXFCSA-N 1 1 289.419 3.339 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1cccc(Cl)c1[O-] ZINC000902447286 621328358 /nfs/dbraw/zinc/32/83/58/621328358.db2.gz YGBPEEAHZGPSHV-QWHCGFSZSA-N 1 1 282.815 3.084 20 10 CGCDMO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000902634656 621389771 /nfs/dbraw/zinc/38/97/71/621389771.db2.gz OUECROFMQIDGGV-RDJZCZTQSA-N 1 1 271.360 3.155 20 10 CGCDMO C[C@H](NCc1cc(N(C)C)cc[nH+]1)c1ccc(N(C)C)cc1 ZINC000903200958 621624468 /nfs/dbraw/zinc/62/44/68/621624468.db2.gz DBPAYCBKUVCQFP-AWEZNQCLSA-N 1 1 298.434 3.064 20 10 CGCDMO C[C@H]([NH2+]CCN1CCCCCC1)c1ccc(F)cc1O ZINC000062748034 623266270 /nfs/dbraw/zinc/26/62/70/623266270.db2.gz VGPPWRSPOSVMET-ZDUSSCGKSA-N 1 1 280.387 3.058 20 10 CGCDMO C[N@@H+](Cc1cccc(Cl)n1)Cc1ccccc1O ZINC000173359074 623320568 /nfs/dbraw/zinc/32/05/68/623320568.db2.gz XOLDVOOSNBAUNE-UHFFFAOYSA-N 1 1 262.740 3.073 20 10 CGCDMO COCC[N@@H+](C)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000921048247 624565227 /nfs/dbraw/zinc/56/52/27/624565227.db2.gz NQZUKHFTQMQBNK-UHFFFAOYSA-N 1 1 265.397 3.076 20 10 CGCDMO CC(C)[N@@H+](CCc1nccs1)Cc1ccccc1O ZINC000179581986 624666664 /nfs/dbraw/zinc/66/66/64/624666664.db2.gz HSDBGXHOPFPZRD-UHFFFAOYSA-N 1 1 276.405 3.302 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)Cc2ccc(F)cc2)c1 ZINC000179646904 624673840 /nfs/dbraw/zinc/67/38/40/624673840.db2.gz WZKWKXXLPGXUKA-UHFFFAOYSA-N 1 1 259.324 3.472 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000179705502 624678361 /nfs/dbraw/zinc/67/83/61/624678361.db2.gz QCHNKUPKTVABED-INIZCTEOSA-N 1 1 297.398 3.465 20 10 CGCDMO CCC[N@H+](Cc1cccc(C)c1O)C[C@@H]1CCCCO1 ZINC000180068451 624714794 /nfs/dbraw/zinc/71/47/94/624714794.db2.gz IJPSEKTYEAJNQX-INIZCTEOSA-N 1 1 277.408 3.482 20 10 CGCDMO C[C@@H](NCC[N@H+](C)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000071376942 625081812 /nfs/dbraw/zinc/08/18/12/625081812.db2.gz GJWBCIJQUGKNHU-OAHLLOKOSA-N 1 1 289.467 3.278 20 10 CGCDMO C[C@@H](NCC[N@@H+](C)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000071376942 625081820 /nfs/dbraw/zinc/08/18/20/625081820.db2.gz GJWBCIJQUGKNHU-OAHLLOKOSA-N 1 1 289.467 3.278 20 10 CGCDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)c2nccn21 ZINC000922163423 625977535 /nfs/dbraw/zinc/97/75/35/625977535.db2.gz ACBQIOIYBXIBDS-IUODEOHRSA-N 1 1 283.375 3.004 20 10 CGCDMO c1cnc([C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C2CC2)nc1 ZINC000922576497 626014116 /nfs/dbraw/zinc/01/41/16/626014116.db2.gz BMWRPGGMCYXMRT-QGZVFWFLSA-N 1 1 295.386 3.043 20 10 CGCDMO COC(C)(C)[C@@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000922580841 626014286 /nfs/dbraw/zinc/01/42/86/626014286.db2.gz HZTDNEKTZCUMRN-MRVPVSSYSA-N 1 1 275.751 3.088 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc3c(n2)CCC3)cc1 ZINC000838781023 626252537 /nfs/dbraw/zinc/25/25/37/626252537.db2.gz KXEIQNKMUIKFHZ-UHFFFAOYSA-N 1 1 295.430 3.268 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1O ZINC000839191837 626328732 /nfs/dbraw/zinc/32/87/32/626328732.db2.gz KLZNPLIQTYURGW-DLBZAZTESA-N 1 1 289.419 3.074 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](C)C[C@H]1CC=CCC1 ZINC000753577356 626456467 /nfs/dbraw/zinc/45/64/67/626456467.db2.gz SVBBYKNTZZZJCM-ZDUSSCGKSA-N 1 1 261.365 3.189 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H]2c2ccccn2)c1O ZINC000754723392 626584811 /nfs/dbraw/zinc/58/48/11/626584811.db2.gz RNGIVFBUCAENQY-INIZCTEOSA-N 1 1 298.386 3.441 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC3(C2)CCOCC3)c1 ZINC000754737276 626585588 /nfs/dbraw/zinc/58/55/88/626585588.db2.gz PROBLZONOLAKMN-UHFFFAOYSA-N 1 1 275.392 3.012 20 10 CGCDMO C[C@H](CCN(C)C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756505636 626710799 /nfs/dbraw/zinc/71/07/99/626710799.db2.gz UHVFTNMRLZBGRB-WZRBSPASSA-N 1 1 280.387 3.009 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2cccc(Cl)c2[O-])cn1 ZINC000757917624 626813939 /nfs/dbraw/zinc/81/39/39/626813939.db2.gz LPDNDHBOFXPHBT-UHFFFAOYSA-N 1 1 292.766 3.081 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCO[C@H](C3CCCCC3)C2)c1 ZINC000758062180 626825006 /nfs/dbraw/zinc/82/50/06/626825006.db2.gz HETBXATWZFTNTQ-SFHVURJKSA-N 1 1 289.419 3.482 20 10 CGCDMO C[N@@H+](CCOC(C)(C)C)Cc1cc2c(cc1O)CCC2 ZINC000767777718 627436272 /nfs/dbraw/zinc/43/62/72/627436272.db2.gz XVMWNWRZTXKNPK-UHFFFAOYSA-N 1 1 277.408 3.128 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000768236606 627470370 /nfs/dbraw/zinc/47/03/70/627470370.db2.gz HEDHDDUECPOGSK-LJQANCHMSA-N 1 1 296.414 3.326 20 10 CGCDMO COc1cccc(C[N@@H+](Cc2ccc(C)o2)C2CC2)c1O ZINC000768258140 627470871 /nfs/dbraw/zinc/47/08/71/627470871.db2.gz QNUKXIPDBHCCBI-UHFFFAOYSA-N 1 1 287.359 3.467 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](CC)CCOC)cc1 ZINC000768251785 627471137 /nfs/dbraw/zinc/47/11/37/627471137.db2.gz KYSOFDZPMLJSSI-UHFFFAOYSA-N 1 1 264.413 3.001 20 10 CGCDMO CCCC[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@@H](C)CC ZINC000768439077 627480093 /nfs/dbraw/zinc/48/00/93/627480093.db2.gz GNDQWMJXMPJTRB-LRDDRELGSA-N 1 1 293.407 3.219 20 10 CGCDMO COCC[N@@H+](Cc1cc(OC)c(C)cc1O)C1CCCC1 ZINC000768443909 627480509 /nfs/dbraw/zinc/48/05/09/627480509.db2.gz IWAHMSJWVCMRDZ-UHFFFAOYSA-N 1 1 293.407 3.100 20 10 CGCDMO C[N@H+](Cc1cc2c(cc1O)CCCC2)C[C@@H]1CCCCO1 ZINC000768441000 627480610 /nfs/dbraw/zinc/48/06/10/627480610.db2.gz CHSFREFHDNKXEO-KRWDZBQOSA-N 1 1 289.419 3.272 20 10 CGCDMO COc1cc(C[N@H+]2CC[C@H](C)[C@H](C)C2)c(O)cc1C ZINC000768465011 627481094 /nfs/dbraw/zinc/48/10/94/627481094.db2.gz JAJTUVAKTDWWJI-WCQYABFASA-N 1 1 263.381 3.187 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](OC)C2)cc1F ZINC000768751993 627495926 /nfs/dbraw/zinc/49/59/26/627495926.db2.gz AYQDDWLMFGFWHS-HNNXBMFYSA-N 1 1 294.414 3.283 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000769103305 627522407 /nfs/dbraw/zinc/52/24/07/627522407.db2.gz VOFGYHDYWVFIND-GXTWGEPZSA-N 1 1 261.365 3.165 20 10 CGCDMO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(C)ccc1O)C2 ZINC000769368982 627545353 /nfs/dbraw/zinc/54/53/53/627545353.db2.gz HYJLXHFSXCQHEI-UHFFFAOYSA-N 1 1 297.354 3.003 20 10 CGCDMO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cc(C)ccc1O)C2 ZINC000769368982 627545357 /nfs/dbraw/zinc/54/53/57/627545357.db2.gz HYJLXHFSXCQHEI-UHFFFAOYSA-N 1 1 297.354 3.003 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](C)CC[C@@H]2C)c1 ZINC000769445164 627552879 /nfs/dbraw/zinc/55/28/79/627552879.db2.gz FRNHKWSXNXSIOF-STQMWFEESA-N 1 1 263.381 3.411 20 10 CGCDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000769446241 627552882 /nfs/dbraw/zinc/55/28/82/627552882.db2.gz LAZWJSBXBOLHCV-NEPJUHHUSA-N 1 1 282.428 3.218 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)CCOC(C)(C)C)cc1F ZINC000769517464 627562370 /nfs/dbraw/zinc/56/23/70/627562370.db2.gz WLRAKXDZLFNATD-UHFFFAOYSA-N 1 1 282.403 3.139 20 10 CGCDMO CCN(CC)CC[N@H+](Cc1ccccc1O)CC(C)C ZINC000770508596 627623950 /nfs/dbraw/zinc/62/39/50/627623950.db2.gz AYCMQGLRBBESAR-UHFFFAOYSA-N 1 1 278.440 3.192 20 10 CGCDMO CC[NH+](CC)CCN(Cc1ccccc1O)CC(C)C ZINC000770508596 627623953 /nfs/dbraw/zinc/62/39/53/627623953.db2.gz AYCMQGLRBBESAR-UHFFFAOYSA-N 1 1 278.440 3.192 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc(O)c2)cc1F ZINC000771934507 627746397 /nfs/dbraw/zinc/74/63/97/627746397.db2.gz ANELTSBCQYBYQH-UHFFFAOYSA-N 1 1 288.366 3.229 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+](C)Cc2cccc(O)c2)c1 ZINC000771935055 627746700 /nfs/dbraw/zinc/74/67/00/627746700.db2.gz IVLNMCGYZCUCSN-UHFFFAOYSA-N 1 1 257.333 3.038 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](CC)C[C@H]2CCOC2)cc1 ZINC000773731909 627908635 /nfs/dbraw/zinc/90/86/35/627908635.db2.gz XGELHSDHYHKRIJ-MRXNPFEDSA-N 1 1 276.424 3.001 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000773728272 627908678 /nfs/dbraw/zinc/90/86/78/627908678.db2.gz AHEOMHADLOWRCB-INIZCTEOSA-N 1 1 288.435 3.144 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)[C@@H](CO)c2ccccc2)cc1 ZINC000773749377 627910105 /nfs/dbraw/zinc/91/01/05/627910105.db2.gz USSJEQMBXHLWOC-IBGZPJMESA-N 1 1 298.430 3.308 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000773770026 627913898 /nfs/dbraw/zinc/91/38/98/627913898.db2.gz BEOCIKVLOAQSIV-MRXNPFEDSA-N 1 1 298.434 3.245 20 10 CGCDMO COc1cccc(O)c1C[N@@H+](CC1CCC1)C(C)C ZINC000775178533 628069414 /nfs/dbraw/zinc/06/94/14/628069414.db2.gz UXEFIWQJJZKTON-UHFFFAOYSA-N 1 1 263.381 3.411 20 10 CGCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ncc(C(C)C)o2)c1 ZINC000775375662 628087128 /nfs/dbraw/zinc/08/71/28/628087128.db2.gz OQOBPOSYCGKWRW-LLVKDONJSA-N 1 1 290.363 3.363 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cc(Cl)ccc1O ZINC000775492198 628100356 /nfs/dbraw/zinc/10/03/56/628100356.db2.gz NHVMMIUKKUCYDK-IUODEOHRSA-N 1 1 296.842 3.428 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1cc(Cl)ccc1[O-] ZINC000775492198 628100359 /nfs/dbraw/zinc/10/03/59/628100359.db2.gz NHVMMIUKKUCYDK-IUODEOHRSA-N 1 1 296.842 3.428 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@H]2CC)c1 ZINC000776000497 628156892 /nfs/dbraw/zinc/15/68/92/628156892.db2.gz LKRTVXRCXWCOLI-IUODEOHRSA-N 1 1 263.381 3.411 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)c1 ZINC000777969487 628316819 /nfs/dbraw/zinc/31/68/19/628316819.db2.gz SUPPSCFTFTWVSR-RISCZKNCSA-N 1 1 251.345 3.189 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000778996863 628381975 /nfs/dbraw/zinc/38/19/75/628381975.db2.gz USAGVQYHZFVGFZ-OAHLLOKOSA-N 1 1 272.323 3.263 20 10 CGCDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C[C@H]1O ZINC000779432240 628413253 /nfs/dbraw/zinc/41/32/53/628413253.db2.gz PQLMPRHVHGSJDG-DZGCQCFKSA-N 1 1 297.826 3.275 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1C ZINC000779431848 628413342 /nfs/dbraw/zinc/41/33/42/628413342.db2.gz FOQSZXSMDLCXNM-NVXWUHKLSA-N 1 1 291.435 3.238 20 10 CGCDMO C[C@H]1CC[C@@]2(CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000781586253 628576324 /nfs/dbraw/zinc/57/63/24/628576324.db2.gz KIOBZQZLUUOAFE-YVEFUNNKSA-N 1 1 289.375 3.133 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@]3(CC[C@H](C)C3)C2)c1 ZINC000781929926 628606086 /nfs/dbraw/zinc/60/60/86/628606086.db2.gz TVXAPYKKSVXKHA-GUYCJALGSA-N 1 1 275.392 3.413 20 10 CGCDMO COc1cc(C[N@@H+](C)C[C@H]2CC=CCC2)c(O)cc1C ZINC000784010057 628764868 /nfs/dbraw/zinc/76/48/68/628764868.db2.gz MSBCOKKQZZNJCE-AWEZNQCLSA-N 1 1 275.392 3.497 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C)[C@H](OC)C2)cc1 ZINC000784669255 628828428 /nfs/dbraw/zinc/82/84/28/628828428.db2.gz YWOYGZVATDSVMA-CRAIPNDOSA-N 1 1 290.451 3.390 20 10 CGCDMO CC[C@@H](O)CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788629373 629070117 /nfs/dbraw/zinc/07/01/17/629070117.db2.gz AVFPMXYUDVAGAG-NXEZZACHSA-N 1 1 291.313 3.223 20 10 CGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000789508829 629141701 /nfs/dbraw/zinc/14/17/01/629141701.db2.gz SDPGQDCRBGQTIO-AEFFLSMTSA-N 1 1 298.386 3.084 20 10 CGCDMO C[C@@H]1CC[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000790993751 629248171 /nfs/dbraw/zinc/24/81/71/629248171.db2.gz YKNHLFDZHQGXOM-RKDXNWHRSA-N 1 1 257.736 3.463 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)C[C@]1(C)CCCS1 ZINC000862227894 629326492 /nfs/dbraw/zinc/32/64/92/629326492.db2.gz JIWMSENDYMQXRC-AWEZNQCLSA-N 1 1 251.395 3.110 20 10 CGCDMO COCC[N@@H+](Cc1c(O)cccc1OC)[C@H]1CC[C@@H](C)C1 ZINC000792192997 629346926 /nfs/dbraw/zinc/34/69/26/629346926.db2.gz PHKLYEQMGJBQIM-KGLIPLIRSA-N 1 1 293.407 3.038 20 10 CGCDMO COCC[N@@H+](Cc1ccccc1O)[C@H]1CC[C@@H](C)C1 ZINC000792192481 629347135 /nfs/dbraw/zinc/34/71/35/629347135.db2.gz KZJGFQWIOWRBLE-HIFRSBDPSA-N 1 1 263.381 3.029 20 10 CGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862351410 629347458 /nfs/dbraw/zinc/34/74/58/629347458.db2.gz OXJKCNDPGARYRN-INIZCTEOSA-N 1 1 298.377 3.032 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H](C2CC2)O1 ZINC000793219891 629430334 /nfs/dbraw/zinc/43/03/34/629430334.db2.gz PJMUCRVACHITAB-MEBBXXQBSA-N 1 1 281.783 3.045 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@H](C2CC2)O1 ZINC000793219891 629430336 /nfs/dbraw/zinc/43/03/36/629430336.db2.gz PJMUCRVACHITAB-MEBBXXQBSA-N 1 1 281.783 3.045 20 10 CGCDMO Cc1cccc(C[N@@H+](C)Cc2cc3c(cc2O)OCO3)c1C ZINC000793541395 629479717 /nfs/dbraw/zinc/47/97/17/629479717.db2.gz DFOFWZREDPQSRG-UHFFFAOYSA-N 1 1 299.370 3.370 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc(C)cc1O ZINC000794803571 629579516 /nfs/dbraw/zinc/57/95/16/629579516.db2.gz APMNJKBWKZLQCP-HOCLYGCPSA-N 1 1 276.424 3.083 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC[C@H](C)C2)c1 ZINC000794840288 629585986 /nfs/dbraw/zinc/58/59/86/629585986.db2.gz IBGVOZRTYVDDTE-AVGNSLFASA-N 1 1 291.391 3.266 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000863546161 629602895 /nfs/dbraw/zinc/60/28/95/629602895.db2.gz FERBLTWMYQGOPQ-DKCNOQQISA-N 1 1 289.206 3.100 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(F)cc1O ZINC000796673984 629814012 /nfs/dbraw/zinc/81/40/12/629814012.db2.gz DCEOFPAEVDNUTN-OAHLLOKOSA-N 1 1 299.349 3.420 20 10 CGCDMO CC[C@@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc(F)cc1O ZINC000796696088 629815833 /nfs/dbraw/zinc/81/58/33/629815833.db2.gz RXKZHPIVPRFXDB-XJKSGUPXSA-N 1 1 294.414 3.446 20 10 CGCDMO CC[C@@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1ccc(F)cc1O ZINC000796762378 629828853 /nfs/dbraw/zinc/82/88/53/629828853.db2.gz OXHGFWDODFFVKD-GOEBONIOSA-N 1 1 292.398 3.056 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H](OC)C(F)(F)F)c1ccc(F)cc1O ZINC000796871198 629852068 /nfs/dbraw/zinc/85/20/68/629852068.db2.gz DUXYVCPNYFTQSR-CMPLNLGQSA-N 1 1 295.276 3.149 20 10 CGCDMO CCOc1cccc(C[N@@H+]2CC(C)=C[C@@H](C)C2)c1O ZINC000797605031 629970439 /nfs/dbraw/zinc/97/04/39/629970439.db2.gz LHRMOOBJCFFGFP-GFCCVEGCSA-N 1 1 261.365 3.189 20 10 CGCDMO CC(C)c1ncc(C[N@H+](C)Cc2cc(F)ccc2O)cn1 ZINC000799736843 630228566 /nfs/dbraw/zinc/22/85/66/630228566.db2.gz IFYWFBVRCWZPJA-UHFFFAOYSA-N 1 1 289.354 3.077 20 10 CGCDMO CC(C)c1ncc(C[N@@H+](C)Cc2cc(F)ccc2O)cn1 ZINC000799736843 630228572 /nfs/dbraw/zinc/22/85/72/630228572.db2.gz IFYWFBVRCWZPJA-UHFFFAOYSA-N 1 1 289.354 3.077 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@H]1CCCOC1 ZINC000801597460 630346582 /nfs/dbraw/zinc/34/65/82/630346582.db2.gz HMQFGQYPCGBSGB-OAHLLOKOSA-N 1 1 277.408 3.421 20 10 CGCDMO CCc1nc(NCc2ccc(N(C)C)cc2)cc(C)[nH+]1 ZINC000804329950 630521308 /nfs/dbraw/zinc/52/13/08/630521308.db2.gz FPOVHEXGWHPWBG-UHFFFAOYSA-N 1 1 270.380 3.026 20 10 CGCDMO Cc1cc(O)c(C[N@H+](CCN(C)C)CC(C)C)cc1C ZINC000809730017 630795514 /nfs/dbraw/zinc/79/55/14/630795514.db2.gz WXZPBHZORPGQPL-UHFFFAOYSA-N 1 1 278.440 3.029 20 10 CGCDMO Cc1nonc1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000809744557 630797785 /nfs/dbraw/zinc/79/77/85/630797785.db2.gz QSZXNIBRBDTPDK-UHFFFAOYSA-N 1 1 295.342 3.040 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H](CO)CC(C)C)cc1 ZINC000809766922 630802174 /nfs/dbraw/zinc/80/21/74/630802174.db2.gz CBAHNDZYUSPMDY-SFHVURJKSA-N 1 1 292.467 3.372 20 10 CGCDMO CC[N@@H+](Cc1cc(OC)ccc1O)[C@H]1CCOC(C)(C)C1 ZINC000811511597 631080640 /nfs/dbraw/zinc/08/06/40/631080640.db2.gz OMNFAIKXBJXFQD-AWEZNQCLSA-N 1 1 293.407 3.180 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1 ZINC000811778776 631119303 /nfs/dbraw/zinc/11/93/03/631119303.db2.gz NSFYTNZQHLCHLG-WBVHZDCISA-N 1 1 289.419 3.398 20 10 CGCDMO CC[N@@H+](Cc1c(O)cccc1OC)CC(C)(C)C ZINC000812795063 631313702 /nfs/dbraw/zinc/31/37/02/631313702.db2.gz WBPTTWSUMKOUBG-UHFFFAOYSA-N 1 1 251.370 3.269 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC3(CCC3)[C@@H]2C(C)C)c1 ZINC000814170841 631536410 /nfs/dbraw/zinc/53/64/10/631536410.db2.gz FCRBKFDPVGLTSL-INIZCTEOSA-N 1 1 275.392 3.411 20 10 CGCDMO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000814172395 631538714 /nfs/dbraw/zinc/53/87/14/631538714.db2.gz LRVVWUZVFCXSMZ-FUHWJXTLSA-N 1 1 281.355 3.032 20 10 CGCDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000814172395 631538719 /nfs/dbraw/zinc/53/87/19/631538719.db2.gz LRVVWUZVFCXSMZ-FUHWJXTLSA-N 1 1 281.355 3.032 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)Cc2ccccc2O1 ZINC000814177580 631538802 /nfs/dbraw/zinc/53/88/02/631538802.db2.gz HLCNAMRJOWLSCC-LBPRGKRZSA-N 1 1 287.334 3.314 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@@H]2C2CC2)ccc1N(C)C ZINC000815037329 631705954 /nfs/dbraw/zinc/70/59/54/631705954.db2.gz HYEMUXJIPNSNOD-QGZVFWFLSA-N 1 1 258.409 3.435 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](OC)C[C@H]2C)cc1 ZINC000815107954 631719203 /nfs/dbraw/zinc/71/92/03/631719203.db2.gz PTIQVKBVZHPGNQ-RHSMWYFYSA-N 1 1 276.424 3.142 20 10 CGCDMO CC(C)N1CCC[N@@H+](Cc2ccc3ccccc3c2O)CC1 ZINC000816480294 631988101 /nfs/dbraw/zinc/98/81/01/631988101.db2.gz JAOWTYCCTFJLCI-UHFFFAOYSA-N 1 1 298.430 3.462 20 10 CGCDMO CC(C)[N@@H+]1CCCN(Cc2ccc3ccccc3c2O)CC1 ZINC000816480294 631988102 /nfs/dbraw/zinc/98/81/02/631988102.db2.gz JAOWTYCCTFJLCI-UHFFFAOYSA-N 1 1 298.430 3.462 20 10 CGCDMO CC(C)[N@H+]1CCCN(Cc2ccc3ccccc3c2O)CC1 ZINC000816480294 631988111 /nfs/dbraw/zinc/98/81/11/631988111.db2.gz JAOWTYCCTFJLCI-UHFFFAOYSA-N 1 1 298.430 3.462 20 10 CGCDMO C[C@H](C1CC1)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816488469 631992492 /nfs/dbraw/zinc/99/24/92/631992492.db2.gz UUWRYDRIXZYOAV-MRVPVSSYSA-N 1 1 257.736 3.415 20 10 CGCDMO C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000816538841 632005970 /nfs/dbraw/zinc/00/59/70/632005970.db2.gz JINBPQAAVZLJHQ-MRVPVSSYSA-N 1 1 257.736 3.320 20 10 CGCDMO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816549104 632008690 /nfs/dbraw/zinc/00/86/90/632008690.db2.gz DKVIELYNZMKFAH-OTYXRUKQSA-N 1 1 289.778 3.071 20 10 CGCDMO CCCC[C@@H](COC)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816552417 632010351 /nfs/dbraw/zinc/01/03/51/632010351.db2.gz LNXKENFAQDOVJM-NSHDSACASA-N 1 1 289.778 3.480 20 10 CGCDMO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccc[nH]1 ZINC000816559179 632011284 /nfs/dbraw/zinc/01/12/84/632011284.db2.gz ANQGPNYNNDRVMH-QMMMGPOBSA-N 1 1 268.719 3.364 20 10 CGCDMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccc[nH]1 ZINC000816559178 632011625 /nfs/dbraw/zinc/01/16/25/632011625.db2.gz ANQGPNYNNDRVMH-MRVPVSSYSA-N 1 1 268.719 3.364 20 10 CGCDMO C[C@@H]1CC([NH2+]Cc2cc(Cl)c(F)cc2O)C[C@@H](C)O1 ZINC000816559759 632012806 /nfs/dbraw/zinc/01/28/06/632012806.db2.gz UDVRBZACMGDMIO-RKDXNWHRSA-N 1 1 287.762 3.230 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH+]1CC(C2CCOCC2)C1 ZINC000816599917 632021637 /nfs/dbraw/zinc/02/16/37/632021637.db2.gz DGMDMUDMAIFYJZ-UHFFFAOYSA-N 1 1 299.773 3.043 20 10 CGCDMO CSCCC[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816599160 632021771 /nfs/dbraw/zinc/02/17/71/632021771.db2.gz FBHLZNLHVBNBBW-UHFFFAOYSA-N 1 1 277.792 3.370 20 10 CGCDMO CSCCC[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816599160 632021777 /nfs/dbraw/zinc/02/17/77/632021777.db2.gz FBHLZNLHVBNBBW-UHFFFAOYSA-N 1 1 277.792 3.370 20 10 CGCDMO CO[C@@H](C)C[N@@H+](C)Cc1ccc2ccccc2c1O ZINC000816609825 632022902 /nfs/dbraw/zinc/02/29/02/632022902.db2.gz NTUFUWXIIZITCT-LBPRGKRZSA-N 1 1 259.349 3.012 20 10 CGCDMO CC[N@@H+](Cc1ccc2ccccc2c1O)[C@@H]1CCOC1 ZINC000816616950 632025233 /nfs/dbraw/zinc/02/52/33/632025233.db2.gz KDRLDWPMRSJZGN-OAHLLOKOSA-N 1 1 271.360 3.156 20 10 CGCDMO CN1CC[C@@]2(CC[N@H+](Cc3ccc4ccccc4c3O)C2)C1 ZINC000816616801 632025412 /nfs/dbraw/zinc/02/54/12/632025412.db2.gz GTXRGXHNNDMTMN-LJQANCHMSA-N 1 1 296.414 3.073 20 10 CGCDMO CN1CC[C@@]2(CC[N@@H+](Cc3ccc4ccccc4c3O)C2)C1 ZINC000816616801 632025418 /nfs/dbraw/zinc/02/54/18/632025418.db2.gz GTXRGXHNNDMTMN-LJQANCHMSA-N 1 1 296.414 3.073 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000816621959 632026030 /nfs/dbraw/zinc/02/60/30/632026030.db2.gz SYKIHAWKTPYNPS-KRWDZBQOSA-N 1 1 298.386 3.379 20 10 CGCDMO CC[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000817415246 632145053 /nfs/dbraw/zinc/14/50/53/632145053.db2.gz PYZVXVVESZRBFS-QWRGUYRKSA-N 1 1 287.762 3.232 20 10 CGCDMO CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCc3ccccc32)cc1 ZINC000817938896 632239610 /nfs/dbraw/zinc/23/96/10/632239610.db2.gz VFBAKPXUFXFHIS-RTBURBONSA-N 1 1 295.430 3.030 20 10 CGCDMO CC[C@@H]([NH2+]CCC[NH2+]C)c1ccc(C(F)(F)F)cc1[O-] ZINC000817940060 632240329 /nfs/dbraw/zinc/24/03/29/632240329.db2.gz KVPCBURHTYUHSQ-GFCCVEGCSA-N 1 1 290.329 3.061 20 10 CGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2CC[NH2+]CC2)c1[O-] ZINC000817940898 632240629 /nfs/dbraw/zinc/24/06/29/632240629.db2.gz MBLWZWRVMHGNTM-LLVKDONJSA-N 1 1 282.815 3.004 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCC([NH3+])CC2)c1[O-] ZINC000817946875 632243534 /nfs/dbraw/zinc/24/35/34/632243534.db2.gz GVNLBLHKPWCPPS-PKSQDBQZSA-N 1 1 282.815 3.275 20 10 CGCDMO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(F)cc1O ZINC000817956770 632252218 /nfs/dbraw/zinc/25/22/18/632252218.db2.gz CJDHZPLOPJDVRU-NSHDSACASA-N 1 1 274.339 3.007 20 10 CGCDMO CCN(C)c1ccc([C@@H](C)N[C@@H](C[NH3+])CC(C)C)cc1 ZINC000817958147 632253959 /nfs/dbraw/zinc/25/39/59/632253959.db2.gz IKKJUZXBCMABOP-GDBMZVCRSA-N 1 1 277.456 3.167 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c1[O-] ZINC000817965004 632259884 /nfs/dbraw/zinc/25/98/84/632259884.db2.gz MIVVJVHTHIAYCY-LBPRGKRZSA-N 1 1 296.842 3.394 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc2ccccc2c1[O-] ZINC000817970256 632262329 /nfs/dbraw/zinc/26/23/29/632262329.db2.gz PVPCXBSWDQMPAM-CFVMTHIKSA-N 1 1 284.403 3.466 20 10 CGCDMO C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cc(Cl)ccc1[O-] ZINC000817980342 632270380 /nfs/dbraw/zinc/27/03/80/632270380.db2.gz KWLGRQDUGIQQOC-YPMHNXCESA-N 1 1 282.815 3.228 20 10 CGCDMO CC[C@@H]([NH2+][C@H]1C[C@H](SC)C1)c1ccc(F)cc1O ZINC000866488273 633157608 /nfs/dbraw/zinc/15/76/08/633157608.db2.gz LXDODKSKHKAJRG-NQBHXWOUSA-N 1 1 269.385 3.466 20 10 CGCDMO C[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1cc(F)ccc1O ZINC000866565827 633197598 /nfs/dbraw/zinc/19/75/98/633197598.db2.gz RWOLSHWNFLRUBI-MRVPVSSYSA-N 1 1 299.296 3.053 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)C[C@H]2CCCCO2)cc1Cl ZINC000824610434 633264487 /nfs/dbraw/zinc/26/44/87/633264487.db2.gz MNELBTCLFUYANG-CYBMUJFWSA-N 1 1 283.799 3.355 20 10 CGCDMO Cc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)c(O)c1 ZINC000876562410 634859195 /nfs/dbraw/zinc/85/91/95/634859195.db2.gz QCIBFGAKQOBRJD-GOSISDBHSA-N 1 1 283.371 3.274 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824715796 633278364 /nfs/dbraw/zinc/27/83/64/633278364.db2.gz NWIPOUMOOVIUAD-NWANDNLSSA-N 1 1 295.810 3.171 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000824914534 633304890 /nfs/dbraw/zinc/30/48/90/633304890.db2.gz UHRVQTNUHOKGPX-ZDUSSCGKSA-N 1 1 283.824 3.373 20 10 CGCDMO COc1ccc(N(C)Cc2c[nH+]c3n2CCC3)cc1Cl ZINC000825468982 633356824 /nfs/dbraw/zinc/35/68/24/633356824.db2.gz ROGNMOJXVKBSFG-UHFFFAOYSA-N 1 1 291.782 3.128 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)cc1Cl ZINC000825731037 633377894 /nfs/dbraw/zinc/37/78/94/633377894.db2.gz CIZDJWWHHKTRLA-OCCSQVGLSA-N 1 1 297.826 3.479 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2O)[C@H](C)C1 ZINC000825774562 633381642 /nfs/dbraw/zinc/38/16/42/633381642.db2.gz YLMSKEOZJAZVSZ-DGCLKSJQSA-N 1 1 283.799 3.353 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](O)C23CCCC3)cc1Cl ZINC000826011815 633397112 /nfs/dbraw/zinc/39/71/12/633397112.db2.gz IXOZUJCVGVDTDI-OAHLLOKOSA-N 1 1 295.810 3.233 20 10 CGCDMO COCC1([NH2+]Cc2cc(Cl)c(F)cc2O)CCCC1 ZINC000826833535 633436616 /nfs/dbraw/zinc/43/66/16/633436616.db2.gz DVXMDOMFGQTEDJ-UHFFFAOYSA-N 1 1 287.762 3.234 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](CCF)C2)cc1F ZINC000827272366 633476944 /nfs/dbraw/zinc/47/69/44/633476944.db2.gz ZVPWZIATJIISNA-ZDUSSCGKSA-N 1 1 282.378 3.463 20 10 CGCDMO CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000827544922 633497118 /nfs/dbraw/zinc/49/71/18/633497118.db2.gz NYMXQNJCMHYRKJ-KRWDZBQOSA-N 1 1 282.387 3.103 20 10 CGCDMO CCCCCC[N@@H+](C)CC(=O)N[C@H](C)c1ccccc1O ZINC000827937392 633537717 /nfs/dbraw/zinc/53/77/17/633537717.db2.gz VDLVLUKQUCCIRP-CQSZACIVSA-N 1 1 292.423 3.082 20 10 CGCDMO C[N@@H+](CCc1c(F)cccc1F)Cc1ccccc1O ZINC000828062037 633554673 /nfs/dbraw/zinc/55/46/73/633554673.db2.gz AKVHVXMYPSPAQH-UHFFFAOYSA-N 1 1 277.314 3.345 20 10 CGCDMO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cccc(C)c1O ZINC000846118543 636147360 /nfs/dbraw/zinc/14/73/60/636147360.db2.gz PCJVYNABOSCYHR-CQSZACIVSA-N 1 1 293.407 3.253 20 10 CGCDMO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cccc(C)c1O ZINC000846118543 636147363 /nfs/dbraw/zinc/14/73/63/636147363.db2.gz PCJVYNABOSCYHR-CQSZACIVSA-N 1 1 293.407 3.253 20 10 CGCDMO CC[C@H]([NH2+]C[C@](C)(CC)OC)c1ccc(F)cc1O ZINC000834882988 634265767 /nfs/dbraw/zinc/26/57/67/634265767.db2.gz WSVTZWGNCRJPOP-ZFWWWQNUSA-N 1 1 269.360 3.387 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(F)cc1O ZINC000834896299 634273434 /nfs/dbraw/zinc/27/34/34/634273434.db2.gz KBJWJJHGQXMDHN-DFBGVHRSSA-N 1 1 281.371 3.123 20 10 CGCDMO CCc1nc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)co1 ZINC000834900330 634277132 /nfs/dbraw/zinc/27/71/32/634277132.db2.gz NVDDAYNEDRZTAD-LBPRGKRZSA-N 1 1 273.380 3.154 20 10 CGCDMO C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000873270095 634312511 /nfs/dbraw/zinc/31/25/11/634312511.db2.gz XCZSUBVNUNVWQQ-GHMZBOCLSA-N 1 1 282.815 3.084 20 10 CGCDMO CCO[C@H]1CCC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835025476 634324533 /nfs/dbraw/zinc/32/45/33/634324533.db2.gz VMDZYHRHWSLINI-YEODSOHDSA-N 1 1 288.435 3.267 20 10 CGCDMO CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)Cc1cnn(C)c1 ZINC000835026761 634325442 /nfs/dbraw/zinc/32/54/42/634325442.db2.gz GUWNTYNHUAEGPU-SREVYHEPSA-N 1 1 298.434 3.021 20 10 CGCDMO Cc1cc(C[C@H](C)[NH2+]C/C=C/c2ccc(N(C)C)cc2)n[nH]1 ZINC000835043916 634331656 /nfs/dbraw/zinc/33/16/56/634331656.db2.gz VZVHQXVRRFTVQR-GJBLVYBDSA-N 1 1 298.434 3.018 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835046923 634333666 /nfs/dbraw/zinc/33/36/66/634333666.db2.gz AHTQTISVGDOWMX-MJICGBHWSA-N 1 1 288.435 3.267 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000835047446 634334166 /nfs/dbraw/zinc/33/41/66/634334166.db2.gz HQQAMRJFZIBYTQ-IVZVJUQRSA-N 1 1 296.418 3.326 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000835047446 634334171 /nfs/dbraw/zinc/33/41/71/634334171.db2.gz HQQAMRJFZIBYTQ-IVZVJUQRSA-N 1 1 296.418 3.326 20 10 CGCDMO CC(C)C[C@H](CO)[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835054505 634337826 /nfs/dbraw/zinc/33/78/26/634337826.db2.gz WEXKXUHQFJFKIG-HPFMTEOYSA-N 1 1 290.451 3.105 20 10 CGCDMO CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)C[C@H](C)OC ZINC000835055748 634339276 /nfs/dbraw/zinc/33/92/76/634339276.db2.gz OGQRHLFECVNODJ-LZNQSLFOSA-N 1 1 276.424 3.123 20 10 CGCDMO Cc1cc([C@H]2CCC[N@H+]2Cc2c(C)cccc2O)no1 ZINC000876591521 634863407 /nfs/dbraw/zinc/86/34/07/634863407.db2.gz KBDRPRXIZHCQHP-OAHLLOKOSA-N 1 1 272.348 3.334 20 10 CGCDMO CC[C@H](C)C[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876611074 634868132 /nfs/dbraw/zinc/86/81/32/634868132.db2.gz QAZHZGPILXXSRV-HNNXBMFYSA-N 1 1 290.451 3.126 20 10 CGCDMO Cc1ncc(C[N@H+](C)Cc2c(C)cccc2O)s1 ZINC000876622732 634870066 /nfs/dbraw/zinc/87/00/66/634870066.db2.gz LJDUFPCHHPKHOB-UHFFFAOYSA-N 1 1 262.378 3.098 20 10 CGCDMO Cc1cccc(O)c1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000876656080 634875264 /nfs/dbraw/zinc/87/52/64/634875264.db2.gz DEVUMNKWOZHWFP-UHFFFAOYSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+]1CCCN(C2CCCC2)CC1 ZINC000876656080 634875267 /nfs/dbraw/zinc/87/52/67/634875267.db2.gz DEVUMNKWOZHWFP-UHFFFAOYSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCCN(C2CCCC2)CC1 ZINC000876656080 634875272 /nfs/dbraw/zinc/87/52/72/634875272.db2.gz DEVUMNKWOZHWFP-UHFFFAOYSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCCC[C@H](N2CCCC2)C1 ZINC000876663368 634877745 /nfs/dbraw/zinc/87/77/45/634877745.db2.gz UBXSFTHJYRRKJK-INIZCTEOSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1cccc(O)c1CN1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000876663368 634877747 /nfs/dbraw/zinc/87/77/47/634877747.db2.gz UBXSFTHJYRRKJK-INIZCTEOSA-N 1 1 288.435 3.151 20 10 CGCDMO Cc1cccc(O)c1C[N@@H+](CCCO)Cc1ccccc1 ZINC000876691609 634882088 /nfs/dbraw/zinc/88/20/88/634882088.db2.gz GTESXBMHTQOLRH-UHFFFAOYSA-N 1 1 285.387 3.085 20 10 CGCDMO Cc1cccc(O)c1CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000876766568 634895714 /nfs/dbraw/zinc/89/57/14/634895714.db2.gz NQIPLUPRZUOWFY-OAHLLOKOSA-N 1 1 276.424 3.007 20 10 CGCDMO Cc1cccc(O)c1CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000876766568 634895715 /nfs/dbraw/zinc/89/57/15/634895715.db2.gz NQIPLUPRZUOWFY-OAHLLOKOSA-N 1 1 276.424 3.007 20 10 CGCDMO COc1ccc(C)[nH+]c1NCc1ccc(C)cc1O ZINC000877096223 634983348 /nfs/dbraw/zinc/98/33/48/634983348.db2.gz ZMLLUXGJZQGIJA-UHFFFAOYSA-N 1 1 258.321 3.025 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(O)c1 ZINC000877544523 635081516 /nfs/dbraw/zinc/08/15/16/635081516.db2.gz YVRXSTBVESFZIF-KGLIPLIRSA-N 1 1 267.319 3.178 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000877544469 635082199 /nfs/dbraw/zinc/08/21/99/635082199.db2.gz XCRGPDBXNYCRMY-UONOGXRCSA-N 1 1 267.319 3.178 20 10 CGCDMO CSCCC[N@@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840942423 635088473 /nfs/dbraw/zinc/08/84/73/635088473.db2.gz MKZYPRQOWNBCDI-UHFFFAOYSA-N 1 1 266.454 3.246 20 10 CGCDMO Cc1cc(Cl)cc(CNCC2([NH3+])CCCCC2)c1O ZINC000841039556 635112549 /nfs/dbraw/zinc/11/25/49/635112549.db2.gz UEOHYTJOAADSQB-UHFFFAOYSA-N 1 1 282.815 3.105 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000877617962 635114443 /nfs/dbraw/zinc/11/44/43/635114443.db2.gz AVLGCCSFVYIJQL-OAHLLOKOSA-N 1 1 275.392 3.234 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000877649793 635131090 /nfs/dbraw/zinc/13/10/90/635131090.db2.gz JAVXVNFBHWWSQZ-TXEJJXNPSA-N 1 1 269.335 3.424 20 10 CGCDMO CCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841744762 635222103 /nfs/dbraw/zinc/22/21/03/635222103.db2.gz SQXKTFJQSKXWBA-AAEUAGOBSA-N 1 1 282.815 3.181 20 10 CGCDMO CCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841744764 635222839 /nfs/dbraw/zinc/22/28/39/635222839.db2.gz SQXKTFJQSKXWBA-DGCLKSJQSA-N 1 1 282.815 3.181 20 10 CGCDMO CC[C@H](O)CCC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841747398 635223700 /nfs/dbraw/zinc/22/37/00/635223700.db2.gz ASOJBCWYMCYUQT-JQWIXIFHSA-N 1 1 271.788 3.247 20 10 CGCDMO COCC[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841754966 635229173 /nfs/dbraw/zinc/22/91/73/635229173.db2.gz DYKIXSCOIIDVEP-QWRGUYRKSA-N 1 1 271.788 3.369 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1ccc(Cl)cc1O ZINC000841756734 635229640 /nfs/dbraw/zinc/22/96/40/635229640.db2.gz JOZSLPPDOFVDOU-VDDIYKPWSA-N 1 1 271.813 3.448 20 10 CGCDMO C[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(Cl)cc1O ZINC000841756843 635230347 /nfs/dbraw/zinc/23/03/47/635230347.db2.gz AOYBXRYZLHBTFU-QMTHXVAHSA-N 1 1 269.772 3.123 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC000842621384 635421081 /nfs/dbraw/zinc/42/10/81/635421081.db2.gz DBTDALRNJAVLHD-INIZCTEOSA-N 1 1 282.387 3.394 20 10 CGCDMO CC[N@@H+](CCSC)Cc1cc(C)cc(C)c1O ZINC000842644357 635426414 /nfs/dbraw/zinc/42/64/14/635426414.db2.gz MQVQFFQCYLCGHR-UHFFFAOYSA-N 1 1 253.411 3.194 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2ccccc2O)nc1Cl ZINC000878242327 635428670 /nfs/dbraw/zinc/42/86/70/635428670.db2.gz ORSHOBTXPHBAIG-UHFFFAOYSA-N 1 1 276.767 3.381 20 10 CGCDMO CC(C)O[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000843413440 635661145 /nfs/dbraw/zinc/66/11/45/635661145.db2.gz JJUUFULKITYMCZ-LLVKDONJSA-N 1 1 287.762 3.184 20 10 CGCDMO CC(C)O[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000843413440 635661151 /nfs/dbraw/zinc/66/11/51/635661151.db2.gz JJUUFULKITYMCZ-LLVKDONJSA-N 1 1 287.762 3.184 20 10 CGCDMO Cc1cc(O)c(CNCCC[N@@H+](C)CC(C)C)cc1C ZINC000845996332 636127647 /nfs/dbraw/zinc/12/76/47/636127647.db2.gz NKZCUGVJZUWYPY-UHFFFAOYSA-N 1 1 278.440 3.077 20 10 CGCDMO Cc1cc(O)c(CNCCC[N@H+](C)CC(C)C)cc1C ZINC000845996332 636127650 /nfs/dbraw/zinc/12/76/50/636127650.db2.gz NKZCUGVJZUWYPY-UHFFFAOYSA-N 1 1 278.440 3.077 20 10 CGCDMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@H+]1Cc1ccccc1O ZINC000846005231 636128316 /nfs/dbraw/zinc/12/83/16/636128316.db2.gz ABRKOUSVMJBCBF-TZMCWYRMSA-N 1 1 291.391 3.087 20 10 CGCDMO CC[N@@H+](Cc1cc(Cl)cc(C)c1O)[C@@H]1CCCOC1 ZINC000846051121 636139016 /nfs/dbraw/zinc/13/90/16/636139016.db2.gz BIQUGKNQISAFOK-CQSZACIVSA-N 1 1 283.799 3.355 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1C)[C@@H]1CCCOC1 ZINC000846053996 636139341 /nfs/dbraw/zinc/13/93/41/636139341.db2.gz ZXJQHVBLOHBODP-QGZVFWFLSA-N 1 1 276.424 3.062 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000846110141 636145177 /nfs/dbraw/zinc/14/51/77/636145177.db2.gz ZLCKUISVJOWQAX-HNNXBMFYSA-N 1 1 297.345 3.412 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000846110292 636145409 /nfs/dbraw/zinc/14/54/09/636145409.db2.gz IPXWDQYEDDIKMU-GASCZTMLSA-N 1 1 280.362 3.230 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)C(F)F ZINC000846170464 636153070 /nfs/dbraw/zinc/15/30/70/636153070.db2.gz OCEUAIMTUZJYAV-WPRPVWTQSA-N 1 1 259.296 3.095 20 10 CGCDMO C[C@H](O)c1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000882917633 636462061 /nfs/dbraw/zinc/46/20/61/636462061.db2.gz QYQWBWIBCLFICD-JTQLQIEISA-N 1 1 293.313 3.014 20 10 CGCDMO Cc1noc(C)c1[C@H](C)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000883074272 636530068 /nfs/dbraw/zinc/53/00/68/636530068.db2.gz RXVUIIGCQYZEMG-MRVPVSSYSA-N 1 1 296.317 3.169 20 10 CGCDMO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000883121726 636546897 /nfs/dbraw/zinc/54/68/97/636546897.db2.gz QJYLGSUCDZLHFT-BJOHPYRUSA-N 1 1 291.297 3.282 20 10 CGCDMO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000883121728 636546957 /nfs/dbraw/zinc/54/69/57/636546957.db2.gz QJYLGSUCDZLHFT-RFAUZJTJSA-N 1 1 291.297 3.282 20 10 CGCDMO Oc1c(F)cc(F)cc1C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000883184045 636570611 /nfs/dbraw/zinc/57/06/11/636570611.db2.gz OALJYDPIZIGAFG-QMMMGPOBSA-N 1 1 296.144 3.344 20 10 CGCDMO CCc1cccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1O ZINC000848916101 636690107 /nfs/dbraw/zinc/69/01/07/636690107.db2.gz CQZAUMWCBWQLIB-QZTJIDSGSA-N 1 1 297.398 3.263 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883363904 636705232 /nfs/dbraw/zinc/70/52/32/636705232.db2.gz RDQKMKPVFRSMDD-JTQLQIEISA-N 1 1 299.773 3.376 20 10 CGCDMO CCCN1CCC([NH2+]CCCSc2nccs2)CC1 ZINC000132149188 636786158 /nfs/dbraw/zinc/78/61/58/636786158.db2.gz UYCKYYORHFHTPA-UHFFFAOYSA-N 1 1 299.509 3.089 20 10 CGCDMO C[C@H]([NH2+]Cc1cscn1)c1ccc(N(C)C)cc1 ZINC000108941551 636893433 /nfs/dbraw/zinc/89/34/33/636893433.db2.gz YHLIGCVUUPBBAM-NSHDSACASA-N 1 1 261.394 3.060 20 10 CGCDMO CC[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccc(F)cc1O ZINC000850523864 637102841 /nfs/dbraw/zinc/10/28/41/637102841.db2.gz QGSBKKONCOLCDB-OCCSQVGLSA-N 1 1 279.355 3.284 20 10 CGCDMO C[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1ccc(F)cc1O ZINC000850526059 637105509 /nfs/dbraw/zinc/10/55/09/637105509.db2.gz AAAOBMUNSCPRGZ-FGDXXIHYSA-N 1 1 287.334 3.360 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)c1nccn1C)c1ccc(F)cc1O ZINC000850571873 637129406 /nfs/dbraw/zinc/12/94/06/637129406.db2.gz DGTIKSVVNLAJED-MFKMUULPSA-N 1 1 277.343 3.067 20 10 CGCDMO C[N@@H+](CCOc1cccc(F)c1)Cc1ccccc1O ZINC000109773725 637268033 /nfs/dbraw/zinc/26/80/33/637268033.db2.gz DWEPNDXXELZNJK-UHFFFAOYSA-N 1 1 275.323 3.042 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@H]1C[C@@]12CCOC2 ZINC000886192453 637453868 /nfs/dbraw/zinc/45/38/68/637453868.db2.gz XBFGJQJYIPGOIP-SJLPKXTDSA-N 1 1 289.419 3.421 20 10 CGCDMO CCC[N@@H+](Cc1cc(C)nc(C)n1)Cc1ccccc1O ZINC000851791882 637505210 /nfs/dbraw/zinc/50/52/10/637505210.db2.gz HSPSORWWXPIKEU-UHFFFAOYSA-N 1 1 285.391 3.211 20 10 CGCDMO C[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1c(O)cccc1F ZINC000886489143 637539363 /nfs/dbraw/zinc/53/93/63/637539363.db2.gz AWLRNROHOVEQJX-DGCLKSJQSA-N 1 1 292.354 3.078 20 10 CGCDMO C[C@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1cccnc1 ZINC000886491479 637539931 /nfs/dbraw/zinc/53/99/31/637539931.db2.gz FWWOBQWZAVWRSR-QWRGUYRKSA-N 1 1 260.312 3.338 20 10 CGCDMO Cc1nc(CC[NH2+][C@H](C)c2c(O)cccc2F)cs1 ZINC000886500366 637543717 /nfs/dbraw/zinc/54/37/17/637543717.db2.gz SBMRWPKXBFSOGJ-SECBINFHSA-N 1 1 280.368 3.190 20 10 CGCDMO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2c(O)cccc2F)cc1 ZINC000886509073 637545819 /nfs/dbraw/zinc/54/58/19/637545819.db2.gz ZPSBTPSXJDVTLO-LRDDRELGSA-N 1 1 289.350 3.224 20 10 CGCDMO CC(C)C[C@H](CCO)C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886534851 637559742 /nfs/dbraw/zinc/55/97/42/637559742.db2.gz QBYQIOYSJHCVFZ-OLZOCXBDSA-N 1 1 283.387 3.227 20 10 CGCDMO C[C@H]([NH2+]CCOCc1ccccc1)c1c(O)cccc1F ZINC000886534540 637560087 /nfs/dbraw/zinc/56/00/87/637560087.db2.gz KGPZQHRLRFBNNS-ZDUSSCGKSA-N 1 1 289.350 3.399 20 10 CGCDMO CCc1noc(CC)c1C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886539459 637564208 /nfs/dbraw/zinc/56/42/08/637564208.db2.gz ZWRVROZCDPTVFN-JTQLQIEISA-N 1 1 292.354 3.495 20 10 CGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H]1CCCC[C@H]1O ZINC000852019211 637574496 /nfs/dbraw/zinc/57/44/96/637574496.db2.gz VOVDVVQAAHVFBV-NVXWUHKLSA-N 1 1 277.408 3.298 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1c(O)cccc1F ZINC000886555686 637579965 /nfs/dbraw/zinc/57/99/65/637579965.db2.gz YVPXSDFSZGAXDD-QWRGUYRKSA-N 1 1 267.344 3.140 20 10 CGCDMO CCc1noc(C)c1C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886614358 637606830 /nfs/dbraw/zinc/60/68/30/637606830.db2.gz UVPZMGUJPKKIJE-VIFPVBQESA-N 1 1 278.327 3.241 20 10 CGCDMO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2c(O)cccc2F)C12CCC2 ZINC000886624800 637614724 /nfs/dbraw/zinc/61/47/24/637614724.db2.gz AEHRWDWKRFCQHG-LEWSCRJBSA-N 1 1 279.355 3.140 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1c(O)cccc1F ZINC000886646537 637626863 /nfs/dbraw/zinc/62/68/63/637626863.db2.gz MFPTZKLEQCXWMK-XBFCOCLRSA-N 1 1 293.382 3.245 20 10 CGCDMO Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)CO)ccc1N(C)C ZINC000852428745 637653165 /nfs/dbraw/zinc/65/31/65/637653165.db2.gz WCUBNTJTTRLQOS-CRAIPNDOSA-N 1 1 290.451 3.044 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccnc1 ZINC000124262782 638230121 /nfs/dbraw/zinc/23/01/21/638230121.db2.gz KHXWSKGXKCBIQS-UHFFFAOYSA-N 1 1 269.392 3.170 20 10 CGCDMO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2nonc2C)cc1 ZINC000924711918 638393634 /nfs/dbraw/zinc/39/36/34/638393634.db2.gz XTCMTVCOVYOFQK-LBPRGKRZSA-N 1 1 288.395 3.075 20 10 CGCDMO Cc1nc(C[NH2+]Cc2ccc(N(C)C)cc2C)cs1 ZINC000115629326 638569831 /nfs/dbraw/zinc/56/98/31/638569831.db2.gz JNVIGPMIFJEAHC-UHFFFAOYSA-N 1 1 275.421 3.116 20 10 CGCDMO C[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccc2ccccc2c1[O-] ZINC000925739572 638591554 /nfs/dbraw/zinc/59/15/54/638591554.db2.gz ZAJFCKGVKQVVRH-LBPRGKRZSA-N 1 1 272.392 3.323 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(Cl)cc1O ZINC000926935964 638827309 /nfs/dbraw/zinc/82/73/09/638827309.db2.gz LJKIMWRMVBZHIZ-CZXHOFHRSA-N 1 1 293.794 3.287 20 10 CGCDMO CC(C)[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1cnn(C)c1 ZINC000927071407 638838467 /nfs/dbraw/zinc/83/84/67/638838467.db2.gz SIWDGWUHOJZEPT-BDJLRTHQSA-N 1 1 291.370 3.313 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@]23C[C@H]2CCC3)c1 ZINC000927120501 638844979 /nfs/dbraw/zinc/84/49/79/638844979.db2.gz SUIQNFIHXDTKOL-PPHDSNJXSA-N 1 1 289.375 3.020 20 10 CGCDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc(C)ccc1O ZINC000187995075 640112317 /nfs/dbraw/zinc/11/23/17/640112317.db2.gz PNRSQGXRTYTSES-GOSISDBHSA-N 1 1 299.414 3.390 20 10 CGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H]1CC[C@H](C)O1 ZINC000188543344 640141697 /nfs/dbraw/zinc/14/16/97/640141697.db2.gz CIAVHKPQWHLXQF-DZGCQCFKSA-N 1 1 263.381 3.172 20 10 CGCDMO CO[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CC[C@@H]1C ZINC000190195996 640232251 /nfs/dbraw/zinc/23/22/51/640232251.db2.gz OUNYXWFBDMXBGU-UGSOOPFHSA-N 1 1 285.387 3.402 20 10 CGCDMO Cc1cc(C[N@H+]2CCO[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000192595977 640390314 /nfs/dbraw/zinc/39/03/14/640390314.db2.gz KHSRJVFNENNROT-ZDUSSCGKSA-N 1 1 277.408 3.219 20 10 CGCDMO CCOC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000093419148 640770870 /nfs/dbraw/zinc/77/08/70/640770870.db2.gz BITTVCJVRGXHPA-LBPRGKRZSA-N 1 1 283.799 3.294 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000093442149 640771067 /nfs/dbraw/zinc/77/10/67/640771067.db2.gz YYJPCFVSMXPDMQ-OKILXGFUSA-N 1 1 275.392 3.413 20 10 CGCDMO CC1(C)[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)C[C@@H]21 ZINC000093661064 640778772 /nfs/dbraw/zinc/77/87/72/640778772.db2.gz UXHHZQBGPNDSCI-TXEJJXNPSA-N 1 1 251.757 3.133 20 10 CGCDMO C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cc(F)ccc1[O-] ZINC000094616925 640799123 /nfs/dbraw/zinc/79/91/23/640799123.db2.gz UDHYELWSCKBPQJ-NSHDSACASA-N 1 1 294.414 3.491 20 10 CGCDMO Cc1cccc(C[N@@H+]2CCS[C@H](C)[C@H]2C)c1O ZINC000252734000 640860880 /nfs/dbraw/zinc/86/08/80/640860880.db2.gz XSYPGTBBTAPVIF-VXGBXAGGSA-N 1 1 251.395 3.026 20 10 CGCDMO C[C@H]1CSCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001254010692 806329493 /nfs/dbraw/zinc/32/94/93/806329493.db2.gz JLPSVJFJRHKCPZ-AWEZNQCLSA-N 1 1 276.449 3.224 20 10 CGCDMO COc1ccc(C[C@H](C)[N@@H+](C)Cc2ccccc2O)cc1 ZINC001254046103 806333924 /nfs/dbraw/zinc/33/39/24/806333924.db2.gz HKKVOJVDCQFSFX-AWEZNQCLSA-N 1 1 285.387 3.464 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)[C@@H](C)CO1 ZINC000026665261 798842025 /nfs/dbraw/zinc/84/20/25/798842025.db2.gz ARRGNVDPPDXZSA-STQMWFEESA-N 1 1 271.360 3.155 20 10 CGCDMO CCC[N@H+](Cc1ccc(OC)cc1O)CC(C)C ZINC000381431672 799380346 /nfs/dbraw/zinc/38/03/46/799380346.db2.gz HFIJJXBGMVQZEV-UHFFFAOYSA-N 1 1 251.370 3.269 20 10 CGCDMO CC[N@H+](Cc1c(O)ccc2ccccc21)C[C@H](C)OC ZINC000383227935 799401525 /nfs/dbraw/zinc/40/15/25/799401525.db2.gz AFYGGHPSQSRWIU-ZDUSSCGKSA-N 1 1 273.376 3.402 20 10 CGCDMO COCCCC[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000397358823 799515179 /nfs/dbraw/zinc/51/51/79/799515179.db2.gz AOQCFQYCCDWVCU-UHFFFAOYSA-N 1 1 299.798 3.107 20 10 CGCDMO COCCCC[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000397358823 799515181 /nfs/dbraw/zinc/51/51/81/799515181.db2.gz AOQCFQYCCDWVCU-UHFFFAOYSA-N 1 1 299.798 3.107 20 10 CGCDMO COCCCC[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000397358823 799515187 /nfs/dbraw/zinc/51/51/87/799515187.db2.gz AOQCFQYCCDWVCU-UHFFFAOYSA-N 1 1 299.798 3.107 20 10 CGCDMO CCOc1cccc(C[NH2+][C@@H]2CCCC2(F)F)c1O ZINC000398008626 799524745 /nfs/dbraw/zinc/52/47/45/799524745.db2.gz RNKUVTTTXPMZLG-GFCCVEGCSA-N 1 1 271.307 3.068 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1ccc(F)cc1O ZINC000690398467 799776039 /nfs/dbraw/zinc/77/60/39/799776039.db2.gz VGUZIZRGLKKZMW-AAEUAGOBSA-N 1 1 280.387 3.055 20 10 CGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)c1O ZINC000822247209 800459831 /nfs/dbraw/zinc/45/98/31/800459831.db2.gz VWSYUQUZMSCZRQ-MNOVXSKESA-N 1 1 299.798 3.054 20 10 CGCDMO Cc1ncc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)s1 ZINC001116584943 802381873 /nfs/dbraw/zinc/38/18/73/802381873.db2.gz OKHWKYFKTNFBMV-ZETCQYMHSA-N 1 1 284.331 3.286 20 10 CGCDMO FC[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001119440397 802664755 /nfs/dbraw/zinc/66/47/55/802664755.db2.gz JOYYDIBUJCORMK-HNNXBMFYSA-N 1 1 262.372 3.078 20 10 CGCDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(N)cc1 ZINC001120371329 802742468 /nfs/dbraw/zinc/74/24/68/802742468.db2.gz VVDDQVHHEVSPRS-CABZTGNLSA-N 1 1 258.287 3.042 20 10 CGCDMO Cc1ccc(F)c(C[N@@H+](C)Cc2ccc(N)cc2)c1 ZINC001120370950 802742808 /nfs/dbraw/zinc/74/28/08/802742808.db2.gz KTPQTMSGRSETMP-UHFFFAOYSA-N 1 1 258.340 3.348 20 10 CGCDMO Nc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1 ZINC001120371441 802742832 /nfs/dbraw/zinc/74/28/32/802742832.db2.gz GDLULIAWERUTCA-DOTOQJQBSA-N 1 1 274.408 3.050 20 10 CGCDMO Cc1cc(C[N@@H+](C)CCN(C)C)c(C)n1-c1ccccc1 ZINC001137854113 803783689 /nfs/dbraw/zinc/78/36/89/803783689.db2.gz IRSMCEIKJUEBRE-UHFFFAOYSA-N 1 1 285.435 3.088 20 10 CGCDMO Cc1cc(C[N@H+](C)CCN(C)C)c(C)n1-c1ccccc1 ZINC001137854113 803783694 /nfs/dbraw/zinc/78/36/94/803783694.db2.gz IRSMCEIKJUEBRE-UHFFFAOYSA-N 1 1 285.435 3.088 20 10 CGCDMO Cc1cc(C[N@H+]2CCCC[C@H]2CO)c(C)n1-c1ccccc1 ZINC001137854462 803786063 /nfs/dbraw/zinc/78/60/63/803786063.db2.gz XVBVBJKICICXOU-IBGZPJMESA-N 1 1 298.430 3.441 20 10 CGCDMO Oc1c(F)cccc1C[N@H+](C1CCC1)C1CCOCC1 ZINC001138130925 803866076 /nfs/dbraw/zinc/86/60/76/803866076.db2.gz LMFPWUNFRZSUJN-UHFFFAOYSA-N 1 1 279.355 3.065 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+](C1CCC1)C1CCOCC1 ZINC001138130925 803866083 /nfs/dbraw/zinc/86/60/83/803866083.db2.gz LMFPWUNFRZSUJN-UHFFFAOYSA-N 1 1 279.355 3.065 20 10 CGCDMO OC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001138214032 803875011 /nfs/dbraw/zinc/87/50/11/803875011.db2.gz NIZHYPJOWWLJSZ-SFHVURJKSA-N 1 1 288.435 3.024 20 10 CGCDMO Cc1c(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc2n1C ZINC001138252637 803880071 /nfs/dbraw/zinc/88/00/71/803880071.db2.gz OBFARAXJEFDAQR-BETUJISGSA-N 1 1 272.392 3.096 20 10 CGCDMO Cc1c(C[N@@H+]2CCc3ccncc3C2)c2ccccc2n1C ZINC001138258312 803884081 /nfs/dbraw/zinc/88/40/81/803884081.db2.gz PKFPMHBUXQAGDV-UHFFFAOYSA-N 1 1 291.398 3.440 20 10 CGCDMO Cc1c(C[N@H+]2CCc3ccncc3C2)c2ccccc2n1C ZINC001138258312 803884091 /nfs/dbraw/zinc/88/40/91/803884091.db2.gz PKFPMHBUXQAGDV-UHFFFAOYSA-N 1 1 291.398 3.440 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](F)C2)c(OC)c1 ZINC001138390230 803913880 /nfs/dbraw/zinc/91/38/80/803913880.db2.gz ZRWGRTIIGCIVIK-OAHLLOKOSA-N 1 1 294.414 3.475 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](F)C2)c(OC)c1 ZINC001138390230 803913888 /nfs/dbraw/zinc/91/38/88/803913888.db2.gz ZRWGRTIIGCIVIK-OAHLLOKOSA-N 1 1 294.414 3.475 20 10 CGCDMO CCCn1cc(C[N@@H+](CC)Cc2ccccc2O)cn1 ZINC001139041551 804115880 /nfs/dbraw/zinc/11/58/80/804115880.db2.gz JUCGGCQOLNREHO-UHFFFAOYSA-N 1 1 273.380 3.021 20 10 CGCDMO C[C@]1(F)CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC001140057669 804365604 /nfs/dbraw/zinc/36/56/04/804365604.db2.gz JNNRJNWSTZPMSR-AWEZNQCLSA-N 1 1 255.308 3.245 20 10 CGCDMO Oc1cc(Cl)ccc1C[NH+]1CC2(C1)C[C@H](F)CS2 ZINC001140466054 804443122 /nfs/dbraw/zinc/44/31/22/804443122.db2.gz VPKDHPRSICGCME-NSHDSACASA-N 1 1 287.787 3.075 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001140466081 804443187 /nfs/dbraw/zinc/44/31/87/804443187.db2.gz WNTLPGLUCMZVJP-CYBMUJFWSA-N 1 1 295.810 3.294 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2CCN(C)[C@H](c3ccccc3)C2)c1 ZINC001140620883 804476680 /nfs/dbraw/zinc/47/66/80/804476680.db2.gz FAFDTUKMWWFAFM-SFHVURJKSA-N 1 1 296.414 3.189 20 10 CGCDMO CC[N@@H+](Cc1c[nH]c2ccncc12)Cc1ccccc1O ZINC001140804905 804522547 /nfs/dbraw/zinc/52/25/47/804522547.db2.gz JVLINDVAMSIYQV-UHFFFAOYSA-N 1 1 281.359 3.291 20 10 CGCDMO COC(=O)c1cccc(C[N@@H+](C)Cc2ccc(C)cc2O)c1 ZINC001140958145 804559087 /nfs/dbraw/zinc/55/90/87/804559087.db2.gz SMDOMZQMXAWYJB-UHFFFAOYSA-N 1 1 299.370 3.119 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCCCC[C@@H]2C)c(OC)c1 ZINC001141026847 804572766 /nfs/dbraw/zinc/57/27/66/804572766.db2.gz FTZXCRLVTNELQE-LBPRGKRZSA-N 1 1 279.380 3.174 20 10 CGCDMO CC(C)[N@@H+](C)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074869 804585130 /nfs/dbraw/zinc/58/51/30/804585130.db2.gz VQVWNOZFIXDIOE-UHFFFAOYSA-N 1 1 258.409 3.226 20 10 CGCDMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1cc(O)ccc1O ZINC001141159851 804599628 /nfs/dbraw/zinc/59/96/28/804599628.db2.gz MUFNDFBGIAPLME-MRXNPFEDSA-N 1 1 299.370 3.444 20 10 CGCDMO Cc1ccc(C[N@@H+](C)Cc2ccccc2O)c(F)c1 ZINC001141195105 804608513 /nfs/dbraw/zinc/60/85/13/804608513.db2.gz AKIMJYFPTQTRJJ-UHFFFAOYSA-N 1 1 259.324 3.472 20 10 CGCDMO COc1cccc(C[N@H+]2CCc3cccc(O)c3C2)c1F ZINC001141222793 804612505 /nfs/dbraw/zinc/61/25/05/804612505.db2.gz REQRIIQUULPGGY-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(-c2noc(C[NH+](C)C)n2)cc1 ZINC001247397946 804725068 /nfs/dbraw/zinc/72/50/68/804725068.db2.gz CQBOJNUUDMNSKX-UHFFFAOYSA-N 1 1 296.374 3.206 20 10 CGCDMO C[C@@]1(F)CCC[N@H+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142509016 804727365 /nfs/dbraw/zinc/72/73/65/804727365.db2.gz TUQAYRKSFVMZPU-CQSZACIVSA-N 1 1 273.298 3.385 20 10 CGCDMO C[C@@]1(F)CCC[N@@H+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142509016 804727369 /nfs/dbraw/zinc/72/73/69/804727369.db2.gz TUQAYRKSFVMZPU-CQSZACIVSA-N 1 1 273.298 3.385 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2[O-])[C@@H](C)C1 ZINC001142525042 804731713 /nfs/dbraw/zinc/73/17/13/804731713.db2.gz UUIQQOWVSYCHHC-ZJUUUORDSA-N 1 1 255.308 3.291 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)[C@@H](C)C1 ZINC001142525042 804731716 /nfs/dbraw/zinc/73/17/16/804731716.db2.gz UUIQQOWVSYCHHC-ZJUUUORDSA-N 1 1 255.308 3.291 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)[C@@H](C)C1 ZINC001142525042 804731718 /nfs/dbraw/zinc/73/17/18/804731718.db2.gz UUIQQOWVSYCHHC-ZJUUUORDSA-N 1 1 255.308 3.291 20 10 CGCDMO [O-]c1cc(F)c(F)cc1C[N@H+]1CCc2ccsc2C1 ZINC001142524726 804731876 /nfs/dbraw/zinc/73/18/76/804731876.db2.gz IIBJRLPPUHOCDI-UHFFFAOYSA-N 1 1 281.327 3.290 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CCC[C@H]2c2cccs2)c(O)c1 ZINC001144509034 804997530 /nfs/dbraw/zinc/99/75/30/804997530.db2.gz ILAUVOGYLKHHIC-LBPRGKRZSA-N 1 1 291.372 3.202 20 10 CGCDMO CCOc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)ccn1 ZINC001250013602 805367431 /nfs/dbraw/zinc/36/74/31/805367431.db2.gz GCIDQQOFBUVRKK-UHFFFAOYSA-N 1 1 299.418 3.178 20 10 CGCDMO CCOc1cc(C[N@@H+](CC)Cc2ccccc2O)ccn1 ZINC001250014388 805368587 /nfs/dbraw/zinc/36/85/87/805368587.db2.gz USNCNNUMTFBFEN-UHFFFAOYSA-N 1 1 286.375 3.208 20 10 CGCDMO CCc1cc(N(CC)Cc2ccccc2O)nc(C)[nH+]1 ZINC001154888912 805504058 /nfs/dbraw/zinc/50/40/58/805504058.db2.gz KCDRZIHRXAGJSL-UHFFFAOYSA-N 1 1 271.364 3.080 20 10 CGCDMO COc1ccccc1C[C@@H](C)[N@H+]1CCc2cccc(O)c2C1 ZINC001258894588 807667909 /nfs/dbraw/zinc/66/79/09/807667909.db2.gz DQAUDANLCQQDQM-CQSZACIVSA-N 1 1 297.398 3.390 20 10 CGCDMO Oc1ccc(CNc2[nH+]ccc3cc(F)ccc32)cc1O ZINC001169993956 807735460 /nfs/dbraw/zinc/73/54/60/807735460.db2.gz VXWKBNLVFUZEBR-UHFFFAOYSA-N 1 1 284.290 3.397 20 10 CGCDMO C[C@H]1CC[C@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001170147616 807775246 /nfs/dbraw/zinc/77/52/46/807775246.db2.gz DFWOMHGQJISLMO-FZMZJTMJSA-N 1 1 261.365 3.035 20 10 CGCDMO CCOCC[C@H](C)[N@@H+](CC)Cc1ccc(N(C)C)cc1 ZINC001172425937 808304823 /nfs/dbraw/zinc/30/48/23/808304823.db2.gz FQDPDXYGOGQZRY-HNNXBMFYSA-N 1 1 278.440 3.390 20 10 CGCDMO CC(C)COCC[C@H](C)[N@H+]1CCc2cccc(O)c2C1 ZINC001172485632 808346781 /nfs/dbraw/zinc/34/67/81/808346781.db2.gz YBTXADCSYJFGCY-AWEZNQCLSA-N 1 1 277.408 3.202 20 10 CGCDMO Oc1c(F)cccc1Nc1cc[nH+]c2ccccc12 ZINC001174040075 808839104 /nfs/dbraw/zinc/83/91/04/808839104.db2.gz QOUOTBUMLOCGGZ-UHFFFAOYSA-N 1 1 254.264 3.245 20 10 CGCDMO C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(O)ccc2ccccc21 ZINC001276078924 808987266 /nfs/dbraw/zinc/98/72/66/808987266.db2.gz ZKVVVBSMLHEUCX-MQVJKMGUSA-N 1 1 296.414 3.260 20 10 CGCDMO CCC(CC)(CCO)[NH2+]Cc1ccc(Cl)cc1O ZINC001181154093 810041096 /nfs/dbraw/zinc/04/10/96/810041096.db2.gz JRRBKPRMAFGCLU-UHFFFAOYSA-N 1 1 271.788 3.076 20 10 CGCDMO Oc1cc(Cl)ccc1C[NH2+]CCCC1CCOCC1 ZINC001182086184 810093308 /nfs/dbraw/zinc/09/33/08/810093308.db2.gz IUWDQTWFLDYEQK-UHFFFAOYSA-N 1 1 283.799 3.342 20 10 CGCDMO CC1(c2ccccc2)C[NH+](Cc2cc(F)c(F)cc2O)C1 ZINC001183012335 810134438 /nfs/dbraw/zinc/13/44/38/810134438.db2.gz RAFBPRVIMWSJQR-UHFFFAOYSA-N 1 1 289.325 3.444 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC[C@H](C(F)F)C2)c1O ZINC001203609596 812405201 /nfs/dbraw/zinc/40/52/01/812405201.db2.gz ZIIGGLBNXLWUGO-LBPRGKRZSA-N 1 1 285.334 3.268 20 10 CGCDMO CCOc1cccc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1O ZINC001203603393 812405240 /nfs/dbraw/zinc/40/52/40/812405240.db2.gz NCCPHLNANONJMD-BETUJISGSA-N 1 1 297.345 3.268 20 10 CGCDMO CCOc1cccc(C[N@@H+](CC)Cc2cccnc2)c1O ZINC001203609220 812405675 /nfs/dbraw/zinc/40/56/75/812405675.db2.gz MDQZMWHRJBBRGC-UHFFFAOYSA-N 1 1 286.375 3.208 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCC[C@]1(C)O ZINC001203650841 812415040 /nfs/dbraw/zinc/41/50/40/812415040.db2.gz FIHJXGXSJFROIO-NHYWBVRUSA-N 1 1 283.799 3.029 20 10 CGCDMO COc1ccc(O)c(C[N@H+](C)Cc2cnc(Cl)s2)c1 ZINC001203670693 812425333 /nfs/dbraw/zinc/42/53/33/812425333.db2.gz WKSNZRZJXSUDGM-UHFFFAOYSA-N 1 1 298.795 3.143 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)Cc2cnc(Cl)s2)c1 ZINC001203670693 812425336 /nfs/dbraw/zinc/42/53/36/812425336.db2.gz WKSNZRZJXSUDGM-UHFFFAOYSA-N 1 1 298.795 3.143 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](C)C(F)(F)CC2)c1 ZINC001203670393 812425617 /nfs/dbraw/zinc/42/56/17/812425617.db2.gz QMCWAGIUGQYEFL-NSHDSACASA-N 1 1 285.334 3.268 20 10 CGCDMO C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203880525 812478464 /nfs/dbraw/zinc/47/84/64/812478464.db2.gz UZGZXRMFIUXJFS-LBPRGKRZSA-N 1 1 269.344 3.045 20 10 CGCDMO Cc1ccccc1O[C@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203878662 812478712 /nfs/dbraw/zinc/47/87/12/812478712.db2.gz JVUYRNZZJCCMQO-HNNXBMFYSA-N 1 1 299.370 3.060 20 10 CGCDMO C[N@@H+](Cc1ccc(O)c(O)c1)Cc1cccc2cccnc21 ZINC001203882579 812479353 /nfs/dbraw/zinc/47/93/53/812479353.db2.gz MSUCPODJOGSTQH-UHFFFAOYSA-N 1 1 294.354 3.278 20 10 CGCDMO C[N@@H+](Cc1ccc(O)c(O)c1)[C@H]1CCc2ccccc21 ZINC001203884570 812480156 /nfs/dbraw/zinc/48/01/56/812480156.db2.gz VCXRWVYLHUHKFO-HNNXBMFYSA-N 1 1 269.344 3.217 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@](C)(F)C2)cc1 ZINC001203931869 812495705 /nfs/dbraw/zinc/49/57/05/812495705.db2.gz XOYRNWLSKSSBOR-MRXNPFEDSA-N 1 1 264.388 3.467 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCOC2)c2ccccc21 ZINC001204242765 812584428 /nfs/dbraw/zinc/58/44/28/812584428.db2.gz RGTLJNQPIUBSPO-OAHLLOKOSA-N 1 1 284.403 3.127 20 10 CGCDMO Oc1ccc(C[N@@H+](Cc2ccccc2)C2CC2)c(O)c1 ZINC001204281108 812596733 /nfs/dbraw/zinc/59/67/33/812596733.db2.gz QWMUXVNOGLMAKT-UHFFFAOYSA-N 1 1 269.344 3.262 20 10 CGCDMO C[N@@H+](CCc1ccccn1)Cc1ccc(N2CCCC2)cc1 ZINC001204319951 812610920 /nfs/dbraw/zinc/61/09/20/812610920.db2.gz IZFWCRZTXPLZFZ-UHFFFAOYSA-N 1 1 295.430 3.356 20 10 CGCDMO CCC[N@@H+](Cc1cc(O)c(O)c(OC)c1)[C@H](C)CC ZINC001204340227 812615964 /nfs/dbraw/zinc/61/59/64/812615964.db2.gz ISEZBFJNUXULJA-LLVKDONJSA-N 1 1 267.369 3.117 20 10 CGCDMO COc1cc(C[N@H+]2Cc3ccccc3[C@H](C)C2)cc(O)c1O ZINC001204341405 812616426 /nfs/dbraw/zinc/61/64/26/812616426.db2.gz BSQASDZVYOQPDR-GFCCVEGCSA-N 1 1 299.370 3.226 20 10 CGCDMO COc1cc(C[N@@H+]2Cc3ccccc3[C@H](C)C2)cc(O)c1O ZINC001204341405 812616431 /nfs/dbraw/zinc/61/64/31/812616431.db2.gz BSQASDZVYOQPDR-GFCCVEGCSA-N 1 1 299.370 3.226 20 10 CGCDMO [NH3+][C@@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001205116967 812874466 /nfs/dbraw/zinc/87/44/66/812874466.db2.gz KEEQDQSBAPZQLD-QGZVFWFLSA-N 1 1 296.414 3.372 20 10 CGCDMO [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001205116967 812874472 /nfs/dbraw/zinc/87/44/72/812874472.db2.gz KEEQDQSBAPZQLD-QGZVFWFLSA-N 1 1 296.414 3.372 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c1 ZINC001205341016 812962735 /nfs/dbraw/zinc/96/27/35/812962735.db2.gz RIEXXEDTXHQLDX-DZGCQCFKSA-N 1 1 277.408 3.108 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)c(O)c1 ZINC001206116810 813205295 /nfs/dbraw/zinc/20/52/95/813205295.db2.gz TUKJMMXHXWHYOP-INIZCTEOSA-N 1 1 275.392 3.330 20 10 CGCDMO C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC001206318932 813287509 /nfs/dbraw/zinc/28/75/09/813287509.db2.gz VGFRMSKPFMUQJG-LJQANCHMSA-N 1 1 298.430 3.496 20 10 CGCDMO C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC001206318932 813287516 /nfs/dbraw/zinc/28/75/16/813287516.db2.gz VGFRMSKPFMUQJG-LJQANCHMSA-N 1 1 298.430 3.496 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1cncc(F)c1 ZINC001207024415 813467062 /nfs/dbraw/zinc/46/70/62/813467062.db2.gz RTTBLOQWHRDFKU-UHFFFAOYSA-N 1 1 299.393 3.453 20 10 CGCDMO CC1(C)CC[C@@H](CO)[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001207302508 813537705 /nfs/dbraw/zinc/53/77/05/813537705.db2.gz PXGMPUGQOUEIIH-ZDUSSCGKSA-N 1 1 283.799 3.029 20 10 CGCDMO Oc1cc2c(cc1O)C[N@@H+](CCC1CCCC1)CCC2 ZINC001208696609 813801858 /nfs/dbraw/zinc/80/18/58/813801858.db2.gz WZXKLEWWIQYJNR-UHFFFAOYSA-N 1 1 275.392 3.426 20 10 CGCDMO CC/C=C\CC[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001208735219 813824638 /nfs/dbraw/zinc/82/46/38/813824638.db2.gz VVLQZSNWEYEYJM-ARJAWSKDSA-N 1 1 261.365 3.202 20 10 CGCDMO C[N@@H+](CCc1cc(F)cc(F)c1)Cc1ccccc1O ZINC001209131875 813943891 /nfs/dbraw/zinc/94/38/91/813943891.db2.gz DRCBZTQMROTEMA-UHFFFAOYSA-N 1 1 277.314 3.345 20 10 CGCDMO COc1ccc2c(c1)c1c(n2C)CC[N@H+](C[C@@H]2C[C@@H]2C)C1 ZINC001209421929 814024982 /nfs/dbraw/zinc/02/49/82/814024982.db2.gz PMTWTESFOWOBJE-STQMWFEESA-N 1 1 284.403 3.201 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@]23CCOC3)cc1 ZINC001209517507 814070829 /nfs/dbraw/zinc/07/08/29/814070829.db2.gz DGUWASBPFZKDCB-LJQANCHMSA-N 1 1 296.414 3.459 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@H](O)[C@H](C)C2)cc1 ZINC001209516172 814071530 /nfs/dbraw/zinc/07/15/30/814071530.db2.gz BOUUDOPPTLAOHE-KUHUBIRLSA-N 1 1 298.430 3.297 20 10 CGCDMO CCOC1C[NH+](Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001209516438 814071541 /nfs/dbraw/zinc/07/15/41/814071541.db2.gz GQHXENYLJAEUGT-UHFFFAOYSA-N 1 1 284.403 3.315 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+](C)C2(C)COC2)cc1 ZINC001209520157 814073116 /nfs/dbraw/zinc/07/31/16/814073116.db2.gz OWWBBWVNOWCABT-UHFFFAOYSA-N 1 1 284.403 3.315 20 10 CGCDMO Nc1ccc(CO[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001217822577 815970687 /nfs/dbraw/zinc/97/06/87/815970687.db2.gz FPDWBPIOVPSHNW-LJQANCHMSA-N 1 1 296.414 3.450 20 10 CGCDMO COc1cc(C[N@@H+](C)[C@H]2CC[C@H](C)CC2)c(O)cc1O ZINC001231639245 818144558 /nfs/dbraw/zinc/14/45/58/818144558.db2.gz GORDMYOZZOBTCB-AULYBMBSSA-N 1 1 279.380 3.117 20 10 CGCDMO CCOc1ncccc1C[N@@H+](CC)Cc1ccccc1O ZINC001231765717 818171274 /nfs/dbraw/zinc/17/12/74/818171274.db2.gz GIPKDPKAKZVXFI-UHFFFAOYSA-N 1 1 286.375 3.208 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@@]3(C2)CC(F)(F)CO3)c(O)c1 ZINC001231849158 818188401 /nfs/dbraw/zinc/18/84/01/818188401.db2.gz OZFSFJKOLAXOAB-HNNXBMFYSA-N 1 1 297.345 3.009 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCC12CCCC2 ZINC001231851287 818189449 /nfs/dbraw/zinc/18/94/49/818189449.db2.gz CMSZZLSUWPPNDE-UHFFFAOYSA-N 1 1 274.408 3.280 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](C)CC12CC2 ZINC001231858513 818190194 /nfs/dbraw/zinc/19/01/94/818190194.db2.gz WVHMIUNYLKDPBF-ZDUSSCGKSA-N 1 1 274.408 3.136 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCCC[C@@](C)(O)C2)cc1Cl ZINC001231869806 818194672 /nfs/dbraw/zinc/19/46/72/818194672.db2.gz ZHAPDPHVTIYPDL-OAHLLOKOSA-N 1 1 283.799 3.091 20 10 CGCDMO CC[C@H]1COCC[N@H+]1Cc1ccc2ccccc2c1O ZINC001231881597 818199839 /nfs/dbraw/zinc/19/98/39/818199839.db2.gz YBWXRXAGHKIBBR-HNNXBMFYSA-N 1 1 271.360 3.156 20 10 CGCDMO O=C1CCC[C@@H]2C[N@H+](Cc3ccc4ccccc4c3O)C[C@H]12 ZINC001231883169 818202063 /nfs/dbraw/zinc/20/20/63/818202063.db2.gz HAUPDBDYVGRNKC-PBHICJAKSA-N 1 1 295.382 3.346 20 10 CGCDMO C[C@@]1(CF)CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231910678 818209243 /nfs/dbraw/zinc/20/92/43/818209243.db2.gz QGRDHCLGHVBWTP-ZDUSSCGKSA-N 1 1 257.736 3.227 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001231910608 818209930 /nfs/dbraw/zinc/20/99/30/818209930.db2.gz OYXSIWQPHBJYLO-ZJUUUORDSA-N 1 1 273.710 3.133 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cc3ccncc3[nH]2)cc1 ZINC001232096919 818254354 /nfs/dbraw/zinc/25/43/54/818254354.db2.gz MDDLISICSHSVHW-UHFFFAOYSA-N 1 1 294.402 3.261 20 10 CGCDMO COc1cc(O)c(C[N@@H+]2CCCC[C@@H](F)C2)cc1Cl ZINC001232264023 818297760 /nfs/dbraw/zinc/29/77/60/818297760.db2.gz CIIGFVDDQAQHKV-LLVKDONJSA-N 1 1 287.762 3.378 20 10 CGCDMO CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232262739 818298577 /nfs/dbraw/zinc/29/85/77/818298577.db2.gz ODKSJRSNMPDNCC-SNVBAGLBSA-N 1 1 269.772 3.373 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCCOC(C)(C)C2)cc1Cl ZINC001232269928 818299827 /nfs/dbraw/zinc/29/98/27/818299827.db2.gz NYUYGBYSFIBRPO-UHFFFAOYSA-N 1 1 299.798 3.055 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CCC[C@H](C(F)F)C2)cc1Cl ZINC001232268869 818299994 /nfs/dbraw/zinc/29/99/94/818299994.db2.gz VBSLRPTUWQARLC-QMMMGPOBSA-N 1 1 291.725 3.228 20 10 CGCDMO COc1cc(O)c(C[N@@H+]2CCC[C@H](OC)CC2)cc1Cl ZINC001232270058 818300587 /nfs/dbraw/zinc/30/05/87/818300587.db2.gz RIZPKLJIHQISIL-LBPRGKRZSA-N 1 1 299.798 3.055 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCCC[C@](C)(O)C2)c1 ZINC001233283929 818566434 /nfs/dbraw/zinc/56/64/34/818566434.db2.gz BAVUWGCUXGJONS-SFHVURJKSA-N 1 1 291.435 3.427 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)ccc2O)CCC[C@@H]1O ZINC001233283896 818566539 /nfs/dbraw/zinc/56/65/39/818566539.db2.gz AAJSTIHPAKYYTO-BBRMVZONSA-N 1 1 291.435 3.283 20 10 CGCDMO C[N@@H+](Cc1ccno1)Cc1cc(C(C)(C)C)ccc1O ZINC001233286686 818567288 /nfs/dbraw/zinc/56/72/88/818567288.db2.gz FNQSJFYCTONJGD-UHFFFAOYSA-N 1 1 274.364 3.310 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001233284541 818568625 /nfs/dbraw/zinc/56/86/25/818568625.db2.gz YZYPYBBPAKFATB-TUKIKUTGSA-N 1 1 277.383 3.480 20 10 CGCDMO CCN1CC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)[C@H](C)C1 ZINC001233287466 818570676 /nfs/dbraw/zinc/57/06/76/818570676.db2.gz RARIOPXBPAQRBP-CQSZACIVSA-N 1 1 290.451 3.216 20 10 CGCDMO CC[N@@H+]1CCN(Cc2cc(C(C)(C)C)ccc2O)[C@H](C)C1 ZINC001233287466 818570683 /nfs/dbraw/zinc/57/06/83/818570683.db2.gz RARIOPXBPAQRBP-CQSZACIVSA-N 1 1 290.451 3.216 20 10 CGCDMO CC[N@H+]1CCN(Cc2cc(C(C)(C)C)ccc2O)[C@H](C)C1 ZINC001233287466 818570689 /nfs/dbraw/zinc/57/06/89/818570689.db2.gz RARIOPXBPAQRBP-CQSZACIVSA-N 1 1 290.451 3.216 20 10 CGCDMO C[N@@H+](Cc1cc(C(C)(C)C)ccc1O)[C@H]1CCCOC1 ZINC001233287415 818571212 /nfs/dbraw/zinc/57/12/12/818571212.db2.gz OZIOZMULGCSWET-HNNXBMFYSA-N 1 1 277.408 3.301 20 10 CGCDMO COCC[C@H]1CCCC[N@@H+]1Cc1c(O)ccc(F)c1F ZINC001233334762 818585455 /nfs/dbraw/zinc/58/54/55/818585455.db2.gz SHUREIPALSDHPE-LLVKDONJSA-N 1 1 285.334 3.061 20 10 CGCDMO COCC[C@H]1CCCC[N@H+]1Cc1c(O)ccc(F)c1F ZINC001233334762 818585457 /nfs/dbraw/zinc/58/54/57/818585457.db2.gz SHUREIPALSDHPE-LLVKDONJSA-N 1 1 285.334 3.061 20 10 CGCDMO C[C@@]1(F)CCC[N@H+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233332358 818586399 /nfs/dbraw/zinc/58/63/99/818586399.db2.gz IKFOUBZPVBPBHG-CQSZACIVSA-N 1 1 273.298 3.385 20 10 CGCDMO C[C@@]1(F)CCC[N@@H+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233332358 818586408 /nfs/dbraw/zinc/58/64/08/818586408.db2.gz IKFOUBZPVBPBHG-CQSZACIVSA-N 1 1 273.298 3.385 20 10 CGCDMO Oc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001233452504 818622969 /nfs/dbraw/zinc/62/29/69/818622969.db2.gz YZXWDCXQOXLAEM-ZMLRMANQSA-N 1 1 289.272 3.201 20 10 CGCDMO Oc1cc(C(F)(F)F)ccc1C[N@H+]1CCC2(CC2)C1 ZINC001233452399 818623091 /nfs/dbraw/zinc/62/30/91/818623091.db2.gz VAZYVIPLGNIBHL-UHFFFAOYSA-N 1 1 271.282 3.397 20 10 CGCDMO CCC[N@@H+](CCOC)Cc1ccc(C(F)(F)F)cc1O ZINC001233451683 818623379 /nfs/dbraw/zinc/62/33/79/818623379.db2.gz VGHCXSWDRDAVAE-UHFFFAOYSA-N 1 1 291.313 3.269 20 10 CGCDMO CN1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001234992735 818970048 /nfs/dbraw/zinc/97/00/48/818970048.db2.gz QWWAMQQAOUTAAB-UHFFFAOYSA-N 1 1 296.414 3.197 20 10 CGCDMO Oc1c(C[N@@H+]2CCCC[C@H](O)C2)cccc1-c1ccccc1 ZINC001235001265 818975221 /nfs/dbraw/zinc/97/52/21/818975221.db2.gz LODRQAPYRNJOCB-KRWDZBQOSA-N 1 1 297.398 3.406 20 10 CGCDMO CCOc1cc(O)cc(C[N@H+]2CCc3cccc(O)c3C2)c1 ZINC001235399479 819084633 /nfs/dbraw/zinc/08/46/33/819084633.db2.gz ASPFIJBPUXASBT-UHFFFAOYSA-N 1 1 299.370 3.055 20 10 CGCDMO C[N@@H+](Cc1ccc(C(C)(C)C)cc1O)C1CCOCC1 ZINC001235674596 819135179 /nfs/dbraw/zinc/13/51/79/819135179.db2.gz GZZTYEAPXLWBKX-UHFFFAOYSA-N 1 1 277.408 3.301 20 10 CGCDMO Nc1ccc(C[N@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC001235949412 819239207 /nfs/dbraw/zinc/23/92/07/819239207.db2.gz JNNHANKBIJXMJM-UHFFFAOYSA-N 1 1 272.779 3.481 20 10 CGCDMO C[N@@H+](C/C=C/c1ccccc1)Cc1ccc(N)cc1 ZINC001235963863 819252671 /nfs/dbraw/zinc/25/26/71/819252671.db2.gz WVAFKFKINJTACN-VMPITWQZSA-N 1 1 252.361 3.414 20 10 CGCDMO Nc1ccc(C[N@H+]2CCc3cccc(Cl)c3C2)cc1 ZINC001236078983 819304184 /nfs/dbraw/zinc/30/41/84/819304184.db2.gz MDWNPFUBEFKPQU-UHFFFAOYSA-N 1 1 272.779 3.481 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(N)c1 ZINC001236280852 819412941 /nfs/dbraw/zinc/41/29/41/819412941.db2.gz XBXMKXUTBVACSD-UHFFFAOYSA-N 1 1 283.419 3.357 20 10 CGCDMO Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3ccc(N)cc3)C2)c1 ZINC001236532623 819525136 /nfs/dbraw/zinc/52/51/36/819525136.db2.gz DLHXGZUTOUNLPA-KRWDZBQOSA-N 1 1 297.402 3.016 20 10 CGCDMO CCc1ccc(C[N@H+](C)Cc2nccs2)c(O)c1 ZINC001236791264 819595096 /nfs/dbraw/zinc/59/50/96/819595096.db2.gz FSWMFZCIIKHROR-UHFFFAOYSA-N 1 1 262.378 3.043 20 10 CGCDMO CCc1ccc(C[N@@H+](C)Cc2nccs2)c(O)c1 ZINC001236791264 819595104 /nfs/dbraw/zinc/59/51/04/819595104.db2.gz FSWMFZCIIKHROR-UHFFFAOYSA-N 1 1 262.378 3.043 20 10 CGCDMO CCc1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c(O)c1 ZINC001236794246 819596635 /nfs/dbraw/zinc/59/66/35/819596635.db2.gz JZPZWVGQGPAFJZ-AWEZNQCLSA-N 1 1 267.319 3.186 20 10 CGCDMO CCc1ccc(C[N@@H+](CC)Cc2ccccn2)c(O)c1 ZINC001236795639 819596777 /nfs/dbraw/zinc/59/67/77/819596777.db2.gz XJUHAUBZBLQBRF-UHFFFAOYSA-N 1 1 270.376 3.372 20 10 CGCDMO CCc1ccc(C[N@@H+](CC)Cc2cccnc2)c(O)c1 ZINC001236795319 819596867 /nfs/dbraw/zinc/59/68/67/819596867.db2.gz UBVKUBZDYAYFGD-UHFFFAOYSA-N 1 1 270.376 3.372 20 10 CGCDMO CCO[C@@H]1CCC[N@@H+](Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236798785 819598882 /nfs/dbraw/zinc/59/88/82/819598882.db2.gz HRFFVGNSIXBJRE-LLVKDONJSA-N 1 1 299.798 3.055 20 10 CGCDMO CCCO[C@@H]1CC[N@@H+](Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236801204 819600535 /nfs/dbraw/zinc/60/05/35/819600535.db2.gz ZJZYZFJWYGAQLH-LLVKDONJSA-N 1 1 299.798 3.055 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](C)C2)c(Cl)c1 ZINC001236804866 819603127 /nfs/dbraw/zinc/60/31/27/819603127.db2.gz UXFRKQIBJSZQGJ-SNVBAGLBSA-N 1 1 269.772 3.286 20 10 CGCDMO COc1cc(O)c(C[N@H+]2C[C@H](C)CC23CC3)c(Cl)c1 ZINC001236809320 819603731 /nfs/dbraw/zinc/60/37/31/819603731.db2.gz UTNGHYGJQDKTCN-SNVBAGLBSA-N 1 1 281.783 3.429 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CCCC[C@H](C)C2)c(O)c1 ZINC001236808714 819604659 /nfs/dbraw/zinc/60/46/59/819604659.db2.gz RMDJIHCFFPKMBK-LBPRGKRZSA-N 1 1 263.381 3.331 20 10 CGCDMO COc1cc(C)c(C[N@H+](C)CC(=O)c2ccccc2)c(O)c1 ZINC001236820254 819608611 /nfs/dbraw/zinc/60/86/11/819608611.db2.gz IFXBADHDPGGICC-UHFFFAOYSA-N 1 1 299.370 3.024 20 10 CGCDMO COc1cc(C)c(C[N@@H+](C)CC(=O)c2ccccc2)c(O)c1 ZINC001236820254 819608617 /nfs/dbraw/zinc/60/86/17/819608617.db2.gz IFXBADHDPGGICC-UHFFFAOYSA-N 1 1 299.370 3.024 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cc2O)[C@H]1CO ZINC001236827139 819609949 /nfs/dbraw/zinc/60/99/49/819609949.db2.gz PWJCHAWADCYVMP-DYVFJYSZSA-N 1 1 285.387 3.138 20 10 CGCDMO C[C@@H]1CO[C@@H]2C[N@@H+](Cc3cc4ccccc4cc3O)C[C@H]12 ZINC001236834031 819613826 /nfs/dbraw/zinc/61/38/26/819613826.db2.gz RZYJVQVOEJKADQ-XHBKTUGNSA-N 1 1 283.371 3.012 20 10 CGCDMO C[N@@H+](Cc1cc2ccccc2cc1O)[C@@H]1CCCOC1 ZINC001236835546 819614715 /nfs/dbraw/zinc/61/47/15/819614715.db2.gz PTLBSDJKNUDOHU-MRXNPFEDSA-N 1 1 271.360 3.156 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2C[C@@H](F)C[C@H]2C)c(O)c1 ZINC001237044942 819650056 /nfs/dbraw/zinc/65/00/56/819650056.db2.gz GAFUJEYKKDHNEX-RISCZKNCSA-N 1 1 251.345 3.448 20 10 CGCDMO CC(C)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC001237045905 819650981 /nfs/dbraw/zinc/65/09/81/819650981.db2.gz MSKNQBGTAORGHD-BETUJISGSA-N 1 1 263.381 3.125 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@@](O)(CF)CC2)c(O)c1 ZINC001237047025 819651119 /nfs/dbraw/zinc/65/11/19/819651119.db2.gz YQOQAFUAAQRFTH-KRWDZBQOSA-N 1 1 295.398 3.202 20 10 CGCDMO CC(C)c1ccc(CN2CCC[N@H+]3CCC[C@@H]3C2)c(O)c1 ZINC001237053389 819652925 /nfs/dbraw/zinc/65/29/25/819652925.db2.gz KPBWKSJVAGWYHI-QGZVFWFLSA-N 1 1 288.435 3.186 20 10 CGCDMO Oc1ccc(F)c(Cl)c1C[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001237124950 819672681 /nfs/dbraw/zinc/67/26/81/819672681.db2.gz SWMBDEHYLXSBRO-YGRLFVJLSA-N 1 1 299.773 3.186 20 10 CGCDMO C[C@H]1C[C@H]2C[N@@H+](Cc3c(O)ccc(F)c3Cl)CC[C@H]2O1 ZINC001237123545 819672788 /nfs/dbraw/zinc/67/27/88/819672788.db2.gz JHERSRRYWVNWDK-PKFCDNJMSA-N 1 1 299.773 3.184 20 10 CGCDMO CCC[N@@H+](CCOC)Cc1c(O)ccc(F)c1Cl ZINC001237121410 819673347 /nfs/dbraw/zinc/67/33/47/819673347.db2.gz MQQUOCOHYDZPBO-UHFFFAOYSA-N 1 1 275.751 3.043 20 10 CGCDMO Oc1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001237142278 819677096 /nfs/dbraw/zinc/67/70/96/819677096.db2.gz GJKFHHHLTKMFJK-JOYOIKCWSA-N 1 1 271.282 3.395 20 10 CGCDMO C[N@@H+](Cc1cnc(Cl)c(F)c1)Cc1ccccc1O ZINC001237405436 819745859 /nfs/dbraw/zinc/74/58/59/819745859.db2.gz RNGRQPUXOSMTDO-UHFFFAOYSA-N 1 1 280.730 3.212 20 10 CGCDMO CC[N@@H+](Cc1ccc(F)c(C)n1)Cc1ccccc1O ZINC001237819331 819851219 /nfs/dbraw/zinc/85/12/19/819851219.db2.gz JHCHRCJQVIWBDZ-UHFFFAOYSA-N 1 1 274.339 3.257 20 10 CGCDMO C[C@@]1(CF)CC[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237935766 819888405 /nfs/dbraw/zinc/88/84/05/819888405.db2.gz YSSAYZSRYIXJGD-ZDUSSCGKSA-N 1 1 275.726 3.366 20 10 CGCDMO C[C@@]1(CF)CC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237935766 819888421 /nfs/dbraw/zinc/88/84/21/819888421.db2.gz YSSAYZSRYIXJGD-ZDUSSCGKSA-N 1 1 275.726 3.366 20 10 CGCDMO CO[C@@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2O)[C@H](C)C1 ZINC001237945402 819888478 /nfs/dbraw/zinc/88/84/78/819888478.db2.gz ZMHVZMGPFKIFHM-MWLCHTKSSA-N 1 1 287.762 3.184 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2O)[C@H](C)C1 ZINC001237945402 819888492 /nfs/dbraw/zinc/88/84/92/819888492.db2.gz ZMHVZMGPFKIFHM-MWLCHTKSSA-N 1 1 287.762 3.184 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC001237946877 819893434 /nfs/dbraw/zinc/89/34/34/819893434.db2.gz NKUKKLWTPAMISA-NXEZZACHSA-N 1 1 269.747 3.417 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CC[C@H](c3ccncc3)C2)c1O ZINC001238063324 819921028 /nfs/dbraw/zinc/92/10/28/819921028.db2.gz VPMISEASKZVVHL-AWEZNQCLSA-N 1 1 286.350 3.224 20 10 CGCDMO COCC[C@H]1CCCC[N@H+]1Cc1cc(F)cc(C)c1O ZINC001238063593 819921120 /nfs/dbraw/zinc/92/11/20/819921120.db2.gz ZFNHNKUUXGKNCX-OAHLLOKOSA-N 1 1 281.371 3.231 20 10 CGCDMO CCc1nc(OC)ccc1-c1[nH+]ccc2c1ccn2C ZINC001239763563 820583671 /nfs/dbraw/zinc/58/36/71/820583671.db2.gz CCXWGDUMSWTHAE-UHFFFAOYSA-N 1 1 267.332 3.206 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)[C@@H](C)CO1 ZINC001349536138 936951426 /nfs/dbraw/zinc/95/14/26/936951426.db2.gz UQGLPTGBXBRNTG-YJBOKZPZSA-N 1 1 288.435 3.286 20 10 CGCDMO Nc1ccc(C[N@@H+]2CCc3cc(F)c(F)cc3C2)cc1 ZINC001356082690 937152765 /nfs/dbraw/zinc/15/27/65/937152765.db2.gz CFBRGJFLAAKRMQ-UHFFFAOYSA-N 1 1 274.314 3.105 20 10 CGCDMO Nc1ccc(C[N@H+]2CCc3cc(F)c(F)cc3C2)cc1 ZINC001356082690 937152768 /nfs/dbraw/zinc/15/27/68/937152768.db2.gz CFBRGJFLAAKRMQ-UHFFFAOYSA-N 1 1 274.314 3.105 20 10 CGCDMO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2O)C1 ZINC001325314292 928243493 /nfs/dbraw/zinc/24/34/93/928243493.db2.gz WPIKSCBDICKTID-YUSALJHKSA-N 1 1 269.772 3.264 20 10 CGCDMO COc1ccc(CNC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1C ZINC001461045062 937561789 /nfs/dbraw/zinc/56/17/89/937561789.db2.gz NIZVCUCOSNUTEK-HOCLYGCPSA-N 1 1 290.451 3.214 20 10 CGCDMO COc1ccc(CNC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1C ZINC001461045062 937561790 /nfs/dbraw/zinc/56/17/90/937561790.db2.gz NIZVCUCOSNUTEK-HOCLYGCPSA-N 1 1 290.451 3.214 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CC(C)(C)OCC2(C)C)c1O ZINC001461924015 937606919 /nfs/dbraw/zinc/60/69/19/937606919.db2.gz BKHXRERLXFWTEL-UHFFFAOYSA-N 1 1 293.407 3.099 20 10 CGCDMO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001307957051 933027782 /nfs/dbraw/zinc/02/77/82/933027782.db2.gz AFCYTVPPKRZVMV-HNNXBMFYSA-N 1 1 288.435 3.286 20 10 CGCDMO CC(C)[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2O)CCS1 ZINC001308611663 933142190 /nfs/dbraw/zinc/14/21/90/933142190.db2.gz SXXOIKCFFVTKJY-AWEZNQCLSA-N 1 1 287.375 3.244 20 10 CGCDMO CC(C)[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)CCS1 ZINC001308611663 933142196 /nfs/dbraw/zinc/14/21/96/933142196.db2.gz SXXOIKCFFVTKJY-AWEZNQCLSA-N 1 1 287.375 3.244 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccc(=O)[nH]c2)cc1 ZINC001308645879 933149537 /nfs/dbraw/zinc/14/95/37/933149537.db2.gz VJIPTLYOQNJOJT-UHFFFAOYSA-N 1 1 299.418 3.265 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CC(C)(C)[C@H]3COC[C@H]32)c1 ZINC001308815053 933181850 /nfs/dbraw/zinc/18/18/50/933181850.db2.gz QMYMARIBJWHIHJ-JKSUJKDBSA-N 1 1 289.419 3.372 20 10 CGCDMO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1c(O)cccc1F ZINC001474716335 933703740 /nfs/dbraw/zinc/70/37/40/933703740.db2.gz JXCQLFBNHAIEHQ-ZWNOBZJWSA-N 1 1 251.345 3.446 20 10 CGCDMO C[N@@H+](CCC(F)(F)F)Cc1c(O)ccc2ccncc21 ZINC001324144057 934463894 /nfs/dbraw/zinc/46/38/94/934463894.db2.gz UGQCKJHKHYODTM-UHFFFAOYSA-N 1 1 284.281 3.325 20 10 CGCDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@]12CCOC2 ZINC001325475979 934914367 /nfs/dbraw/zinc/91/43/67/934914367.db2.gz SXROCCXTDLKVJR-LJQANCHMSA-N 1 1 295.382 3.424 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2c(C)cc(OC)cc2O)CCS1 ZINC001474369885 937855231 /nfs/dbraw/zinc/85/52/31/937855231.db2.gz RANSWXYEWPOADD-CYBMUJFWSA-N 1 1 281.421 3.037 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)cc1Cl ZINC001474390560 937856413 /nfs/dbraw/zinc/85/64/13/937856413.db2.gz HLGNVYQBIGVNBK-SWLSCSKDSA-N 1 1 297.826 3.337 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC001474393365 937857048 /nfs/dbraw/zinc/85/70/48/937857048.db2.gz OWLSWPOPJBNKGB-LRDDRELGSA-N 1 1 264.388 3.241 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001474717041 937876907 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CGCDMO COC[C@H](C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788562337 629064987 /nfs/dbraw/zinc/06/49/87/629064987.db2.gz GVZXHDMRTGLRBF-ZJUUUORDSA-N 1 1 291.313 3.344 20 10 CGCDMO C[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)C1CC1 ZINC000790955658 629242912 /nfs/dbraw/zinc/24/29/12/629242912.db2.gz HINPTYSZQFNSHS-MRVPVSSYSA-N 1 1 257.736 3.320 20 10 CGCDMO CO[C@H]1C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1(C)C ZINC000790972025 629244918 /nfs/dbraw/zinc/24/49/18/629244918.db2.gz BQIKKOJADRSJRZ-RYUDHWBXSA-N 1 1 287.762 3.088 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+](C)Cc2cnc(C)o2)cc1 ZINC000862214098 629324633 /nfs/dbraw/zinc/32/46/33/629324633.db2.gz FOXZLYVGFYNYMA-UHFFFAOYSA-N 1 1 287.407 3.461 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cnc(C)o2)cc1 ZINC000862214098 629324634 /nfs/dbraw/zinc/32/46/34/629324634.db2.gz FOXZLYVGFYNYMA-UHFFFAOYSA-N 1 1 287.407 3.461 20 10 CGCDMO C[C@H](C1CC1)[N@@H+](C)Cc1c(O)cccc1Br ZINC000862224080 629326323 /nfs/dbraw/zinc/32/63/23/629326323.db2.gz HSEIBMFPMPHHNX-SECBINFHSA-N 1 1 284.197 3.385 20 10 CGCDMO C[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)[C@H]1C ZINC000792171096 629343439 /nfs/dbraw/zinc/34/34/39/629343439.db2.gz YCYTUOKUXQFPCZ-IUCAKERBSA-N 1 1 257.736 3.415 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)[C@H]1C ZINC000792171096 629343443 /nfs/dbraw/zinc/34/34/43/629343443.db2.gz YCYTUOKUXQFPCZ-IUCAKERBSA-N 1 1 257.736 3.415 20 10 CGCDMO CC[N@@H+](Cc1c(O)ccc(Cl)c1F)C[C@@H]1CCCO1 ZINC000792167452 629343680 /nfs/dbraw/zinc/34/36/80/629343680.db2.gz TVPDMEOAYRSTEB-JTQLQIEISA-N 1 1 287.762 3.186 20 10 CGCDMO CC[N@H+](Cc1c(O)ccc(Cl)c1F)C[C@@H]1CCCO1 ZINC000792167452 629343684 /nfs/dbraw/zinc/34/36/84/629343684.db2.gz TVPDMEOAYRSTEB-JTQLQIEISA-N 1 1 287.762 3.186 20 10 CGCDMO CC(C)(C)C[N@H+](CCO)Cc1c(O)ccc(Cl)c1F ZINC000792167860 629344131 /nfs/dbraw/zinc/34/41/31/629344131.db2.gz SPGPNWJJWAKSTG-UHFFFAOYSA-N 1 1 289.778 3.025 20 10 CGCDMO CC(C)(C)C[N@@H+](CCO)Cc1c(O)ccc(Cl)c1F ZINC000792167860 629344133 /nfs/dbraw/zinc/34/41/33/629344133.db2.gz SPGPNWJJWAKSTG-UHFFFAOYSA-N 1 1 289.778 3.025 20 10 CGCDMO COCC[N@@H+](Cc1cccc(C)c1O)[C@H]1CC[C@H](C)C1 ZINC000792193152 629347942 /nfs/dbraw/zinc/34/79/42/629347942.db2.gz RJRSIYRTKQGJRG-BBRMVZONSA-N 1 1 277.408 3.338 20 10 CGCDMO CCOc1ccc(C[N@@H+]2Cc3ccc(O)cc3C2)c(O)c1 ZINC000862450442 629381412 /nfs/dbraw/zinc/38/14/12/629381412.db2.gz TXNTWVQZHRTPTC-UHFFFAOYSA-N 1 1 285.343 3.012 20 10 CGCDMO CCOc1ccc(C[N@H+]2Cc3ccc(O)cc3C2)c(O)c1 ZINC000862450442 629381415 /nfs/dbraw/zinc/38/14/15/629381415.db2.gz TXNTWVQZHRTPTC-UHFFFAOYSA-N 1 1 285.343 3.012 20 10 CGCDMO Oc1ccc([C@H]2CC[N@@H+](Cc3cc(F)ccc3O)C2)cc1 ZINC000862540840 629396260 /nfs/dbraw/zinc/39/62/60/629396260.db2.gz KWNYSWDXHQUTKT-ZDUSSCGKSA-N 1 1 287.334 3.226 20 10 CGCDMO CC(C)(C)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000793369414 629449331 /nfs/dbraw/zinc/44/93/31/629449331.db2.gz FRGVDXUNNZUCCL-CYBMUJFWSA-N 1 1 291.391 3.379 20 10 CGCDMO C[NH+](C)Cc1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000864019637 629728351 /nfs/dbraw/zinc/72/83/51/629728351.db2.gz LDEBSBUODAZQOR-UHFFFAOYSA-N 1 1 292.329 3.344 20 10 CGCDMO C[C@H](CCCO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000798181467 630030673 /nfs/dbraw/zinc/03/06/73/630030673.db2.gz KLXRXLIBVLVXOX-NXEZZACHSA-N 1 1 291.313 3.223 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](c3ccccn3)C2)cc1C ZINC000798964035 630130520 /nfs/dbraw/zinc/13/05/20/630130520.db2.gz HWISDJOLZUABPL-OAHLLOKOSA-N 1 1 282.387 3.394 20 10 CGCDMO CCCC[N@H+](Cc1nc(CC)no1)Cc1ccccc1O ZINC000801595310 630346969 /nfs/dbraw/zinc/34/69/69/630346969.db2.gz LMUSHBUSNFNFBP-UHFFFAOYSA-N 1 1 289.379 3.140 20 10 CGCDMO CCCC[N@@H+](Cc1nc(CC)no1)Cc1ccccc1O ZINC000801595310 630346971 /nfs/dbraw/zinc/34/69/71/630346971.db2.gz LMUSHBUSNFNFBP-UHFFFAOYSA-N 1 1 289.379 3.140 20 10 CGCDMO CCCC[N@@H+](Cc1cn(C)nc1C)Cc1ccccc1O ZINC000802657857 630403669 /nfs/dbraw/zinc/40/36/69/630403669.db2.gz WLXHWEMEABGAHB-UHFFFAOYSA-N 1 1 287.407 3.236 20 10 CGCDMO CC[C@@H]1CN(C)CC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000840092591 630589771 /nfs/dbraw/zinc/58/97/71/630589771.db2.gz BRQQLQMSWJZLHL-OAHLLOKOSA-N 1 1 284.403 3.071 20 10 CGCDMO CCCC[N@H+](C)C[C@H](C)N[C@H](C)c1cc(F)ccc1O ZINC000808732590 630672885 /nfs/dbraw/zinc/67/28/85/630672885.db2.gz LHESSQSVTRQRBD-QWHCGFSZSA-N 1 1 282.403 3.302 20 10 CGCDMO CCCC[N@@H+](C)C[C@H](C)N[C@H](C)c1cc(F)ccc1O ZINC000808732590 630672888 /nfs/dbraw/zinc/67/28/88/630672888.db2.gz LHESSQSVTRQRBD-QWHCGFSZSA-N 1 1 282.403 3.302 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c1O ZINC000809728569 630793824 /nfs/dbraw/zinc/79/38/24/630793824.db2.gz BTJOPYGZJFWRRH-OAHLLOKOSA-N 1 1 284.359 3.133 20 10 CGCDMO CCC[N@H+](CC)C[C@H](C)NCc1cc(OCC)ccc1O ZINC000810181187 630851046 /nfs/dbraw/zinc/85/10/46/630851046.db2.gz WIYRCMYGGDKXNN-AWEZNQCLSA-N 1 1 294.439 3.001 20 10 CGCDMO CCC[N@@H+](CC)C[C@H](C)NCc1cc(OCC)ccc1O ZINC000810181187 630851048 /nfs/dbraw/zinc/85/10/48/630851048.db2.gz WIYRCMYGGDKXNN-AWEZNQCLSA-N 1 1 294.439 3.001 20 10 CGCDMO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2O)[C@@H]1[C@@H]1CCCO1 ZINC000811510324 631078368 /nfs/dbraw/zinc/07/83/68/631078368.db2.gz CENWMUDWTHOCQU-LSDHHAIUSA-N 1 1 295.810 3.435 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)c(O)c1 ZINC000811513844 631082471 /nfs/dbraw/zinc/08/24/71/631082471.db2.gz SGRUWAUVGAIOCD-INIZCTEOSA-N 1 1 275.392 3.411 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000876513380 634850087 /nfs/dbraw/zinc/85/00/87/634850087.db2.gz LKMTVIKXSLOHJB-OAHLLOKOSA-N 1 1 256.349 3.366 20 10 CGCDMO CC(C)[C@@H](O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000814627570 631614021 /nfs/dbraw/zinc/61/40/21/631614021.db2.gz MHUPHVJSMJNDBQ-KRWDZBQOSA-N 1 1 289.375 3.004 20 10 CGCDMO C[N@H+](Cc1ccccc1O)C[C@@H](O)c1cc2ccccc2o1 ZINC000815070647 631711079 /nfs/dbraw/zinc/71/10/79/631711079.db2.gz WUKIPPMKFWOTES-MRXNPFEDSA-N 1 1 297.354 3.304 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+]([C@@H](C)CO)C2CCCC2)cc1 ZINC000815099714 631716059 /nfs/dbraw/zinc/71/60/59/631716059.db2.gz YXFDMNRREUQWRO-HNNXBMFYSA-N 1 1 290.451 3.268 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC000815102915 631717681 /nfs/dbraw/zinc/71/76/81/631717681.db2.gz MLNREDMMBDPQQA-QGZVFWFLSA-N 1 1 290.451 3.390 20 10 CGCDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815102284 631717910 /nfs/dbraw/zinc/71/79/10/631717910.db2.gz HRAQBOCMAYQHON-QGZVFWFLSA-N 1 1 276.424 3.062 20 10 CGCDMO Fc1cc(F)c(C[NH2+]Cc2ccc3c(c2)CCO3)c(F)c1 ZINC000815152513 631731943 /nfs/dbraw/zinc/73/19/43/631731943.db2.gz OOMMFERVGZYWIB-UHFFFAOYSA-N 1 1 293.288 3.329 20 10 CGCDMO C[C@H]([NH2+]C1CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000815561744 631795114 /nfs/dbraw/zinc/79/51/14/631795114.db2.gz OVJBTAUCTRVWQR-VIFPVBQESA-N 1 1 289.297 3.241 20 10 CGCDMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1cc[nH]c(=O)c1 ZINC000815642536 631810828 /nfs/dbraw/zinc/81/08/28/631810828.db2.gz FKRXBIMTCZSZRD-NXEZZACHSA-N 1 1 276.311 3.044 20 10 CGCDMO CC(C)(C)C[N@@H+](CCO)Cc1ccc2ccccc2c1O ZINC000816504752 631995830 /nfs/dbraw/zinc/99/58/30/631995830.db2.gz APVVJWUYZLDECR-UHFFFAOYSA-N 1 1 287.403 3.386 20 10 CGCDMO CCOC[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816518616 632001976 /nfs/dbraw/zinc/00/19/76/632001976.db2.gz HYIHRHLKCKNZOH-AWEZNQCLSA-N 1 1 285.387 3.404 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CCOC1CCCC1 ZINC000816542358 632005802 /nfs/dbraw/zinc/00/58/02/632005802.db2.gz LYRPGGKBFPASOF-UHFFFAOYSA-N 1 1 287.762 3.234 20 10 CGCDMO CCCCOCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816542912 632007419 /nfs/dbraw/zinc/00/74/19/632007419.db2.gz HBTKSXYUKPOHST-UHFFFAOYSA-N 1 1 275.751 3.091 20 10 CGCDMO CC[N@H+](Cc1ccc2ccccc2c1O)C[C@@H](C)OC ZINC000816617382 632025152 /nfs/dbraw/zinc/02/51/52/632025152.db2.gz XKTLECLCGGEMFO-CYBMUJFWSA-N 1 1 273.376 3.402 20 10 CGCDMO CC[N@@H+](Cc1ccc2ccccc2c1O)[C@H]1CCOC1 ZINC000816616949 632025352 /nfs/dbraw/zinc/02/53/52/632025352.db2.gz KDRLDWPMRSJZGN-HNNXBMFYSA-N 1 1 271.360 3.156 20 10 CGCDMO CC[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000817939691 632238671 /nfs/dbraw/zinc/23/86/71/632238671.db2.gz AREWHKJMIDELNN-CQSZACIVSA-N 1 1 282.815 3.086 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCCCN1)c1cc2c(cc1O)CCCC2 ZINC000817949900 632246856 /nfs/dbraw/zinc/24/68/56/632246856.db2.gz OUWNPXKGBLDDKS-XJKSGUPXSA-N 1 1 288.435 3.064 20 10 CGCDMO C[C@@H](NCC(C)(C)[NH3+])c1ccc(N2CCCCC2)cc1 ZINC000817961145 632257804 /nfs/dbraw/zinc/25/78/04/632257804.db2.gz XSYNPVBGXZXDAY-CQSZACIVSA-N 1 1 275.440 3.065 20 10 CGCDMO CCCC[C@@H](C[NH3+])N[C@H](C)c1ccc(N(C)CC)cc1 ZINC000817962832 632258648 /nfs/dbraw/zinc/25/86/48/632258648.db2.gz LJGMYAHEBUVQOO-ZBFHGGJFSA-N 1 1 277.456 3.311 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1cc(Cl)ccc1[O-] ZINC000817976752 632267508 /nfs/dbraw/zinc/26/75/08/632267508.db2.gz SUGAZBIBFIUGJV-WDEREUQCSA-N 1 1 270.804 3.214 20 10 CGCDMO C[C@@H]([NH3+])[C@@H](C)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817978110 632268806 /nfs/dbraw/zinc/26/88/06/632268806.db2.gz WETIXKIJQPTYIE-KFWWJZLASA-N 1 1 275.440 3.063 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000865752770 632878627 /nfs/dbraw/zinc/87/86/27/632878627.db2.gz CULDAYMFIHYKRO-HTRCEHHLSA-N 1 1 283.652 3.225 20 10 CGCDMO C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cc(F)cc(F)c1O ZINC000866501182 633162393 /nfs/dbraw/zinc/16/23/93/633162393.db2.gz YTVNNMRPCIIVKO-DPKJLXEKSA-N 1 1 281.224 3.272 20 10 CGCDMO CC[C@@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(F)cc1O ZINC000866632667 633221719 /nfs/dbraw/zinc/22/17/19/633221719.db2.gz AYWAVRXITZSEOW-KGLIPLIRSA-N 1 1 289.354 3.304 20 10 CGCDMO Cc1cc([O-])c(C[N@H+](C)CC2CC[NH+](C)CC2)cc1Cl ZINC000824708455 633276838 /nfs/dbraw/zinc/27/68/38/633276838.db2.gz FDTGFWOIHRWGQT-UHFFFAOYSA-N 1 1 296.842 3.128 20 10 CGCDMO Cc1cc([O-])c(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1Cl ZINC000824708455 633276842 /nfs/dbraw/zinc/27/68/42/633276842.db2.gz FDTGFWOIHRWGQT-UHFFFAOYSA-N 1 1 296.842 3.128 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1C ZINC000824714413 633277690 /nfs/dbraw/zinc/27/76/90/633277690.db2.gz DMPNJISXVKJBKF-ZACQAIPSSA-N 1 1 289.419 3.134 20 10 CGCDMO CN(C)c1ccc(C[N@H+](Cc2ccns2)C2CC2)cc1 ZINC000876570714 634860076 /nfs/dbraw/zinc/86/00/76/634860076.db2.gz MLVPIEXTVALBNJ-UHFFFAOYSA-N 1 1 287.432 3.374 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](Cc2ccns2)C2CC2)cc1 ZINC000876570714 634860080 /nfs/dbraw/zinc/86/00/80/634860080.db2.gz MLVPIEXTVALBNJ-UHFFFAOYSA-N 1 1 287.432 3.374 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)CC1(C)C ZINC000824820513 633296244 /nfs/dbraw/zinc/29/62/44/633296244.db2.gz GVGAGWCYPYYBLR-CQSZACIVSA-N 1 1 283.799 3.293 20 10 CGCDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C)ccc2O)C12CCC2 ZINC000825104323 633328863 /nfs/dbraw/zinc/32/88/63/633328863.db2.gz UFEKXRXPXBIUDG-CVEARBPZSA-N 1 1 275.392 3.090 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000825133681 633331917 /nfs/dbraw/zinc/33/19/17/633331917.db2.gz KHCFKMFQGWSBOA-OAHLLOKOSA-N 1 1 281.783 3.048 20 10 CGCDMO COc1ccc2c(c1)CCCCN2Cc1c[nH+]c(C)n1C ZINC000825944141 633390738 /nfs/dbraw/zinc/39/07/38/633390738.db2.gz RBWZYDDYRCWBCU-UHFFFAOYSA-N 1 1 285.391 3.080 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1Cl ZINC000826097034 633405462 /nfs/dbraw/zinc/40/54/62/633405462.db2.gz MTRXLQFUAXQEGH-MRXNPFEDSA-N 1 1 295.810 3.357 20 10 CGCDMO CC1(C)OCC[C@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000827704463 633511412 /nfs/dbraw/zinc/51/14/12/633511412.db2.gz CLORWGVNCMBRJR-JTQLQIEISA-N 1 1 287.762 3.089 20 10 CGCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2coc(C3CC3)n2)c1 ZINC000845973297 636126160 /nfs/dbraw/zinc/12/61/60/636126160.db2.gz XKXLOMUGZIEAOD-SNVBAGLBSA-N 1 1 288.347 3.117 20 10 CGCDMO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(O)c1F ZINC000872030656 633949325 /nfs/dbraw/zinc/94/93/25/633949325.db2.gz IWASMZPXPHXVCV-NSHDSACASA-N 1 1 287.334 3.317 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000846118254 636147758 /nfs/dbraw/zinc/14/77/58/636147758.db2.gz WISIJZRRCRHKKH-CWDCEQMOSA-N 1 1 292.373 3.497 20 10 CGCDMO CCCOc1ccc(C[NH2+]C[C@H]2CCCN(C)C2)cc1C ZINC000873048365 634237420 /nfs/dbraw/zinc/23/74/20/634237420.db2.gz YOBLCSZYFBVZDC-QGZVFWFLSA-N 1 1 290.451 3.215 20 10 CGCDMO CCCOc1ccc(CNC[C@H]2CCC[N@H+](C)C2)cc1C ZINC000873048365 634237426 /nfs/dbraw/zinc/23/74/26/634237426.db2.gz YOBLCSZYFBVZDC-QGZVFWFLSA-N 1 1 290.451 3.215 20 10 CGCDMO CCCOc1ccc(CNC[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000873048365 634237434 /nfs/dbraw/zinc/23/74/34/634237434.db2.gz YOBLCSZYFBVZDC-QGZVFWFLSA-N 1 1 290.451 3.215 20 10 CGCDMO CCc1nc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)co1 ZINC000834896513 634272920 /nfs/dbraw/zinc/27/29/20/634272920.db2.gz CRPHAWBYCKSRGB-JOYOIKCWSA-N 1 1 290.338 3.420 20 10 CGCDMO CCn1cc([C@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2O)cn1 ZINC000834904074 634281181 /nfs/dbraw/zinc/28/11/81/634281181.db2.gz MQMVXYJZJMAMDX-UWVGGRQHSA-N 1 1 295.333 3.299 20 10 CGCDMO CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)Cc1cnn(C)c1 ZINC000835026762 634325592 /nfs/dbraw/zinc/32/55/92/634325592.db2.gz GUWNTYNHUAEGPU-VOTSOKGWSA-N 1 1 298.434 3.021 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCOC3(CCC3)C2)cc1 ZINC000835026523 634325635 /nfs/dbraw/zinc/32/56/35/634325635.db2.gz UGPWAPVXJWKWSU-HWKANZROSA-N 1 1 286.419 3.021 20 10 CGCDMO C[C@H](O)C[C@H]1CCC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835028150 634325754 /nfs/dbraw/zinc/32/57/54/634325754.db2.gz KCKWOZKVGMYDMZ-CTQQLDRNSA-N 1 1 288.435 3.001 20 10 CGCDMO CO[C@@H]1C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CC[C@H]1C ZINC000835045141 634332120 /nfs/dbraw/zinc/33/21/20/634332120.db2.gz JQEQOYQVTNSJEI-CPHMMYSSSA-N 1 1 288.435 3.123 20 10 CGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@H]2C2CC2)cc1 ZINC000835053950 634338263 /nfs/dbraw/zinc/33/82/63/634338263.db2.gz GDUNFAMOJMVDIK-REMYHPOOSA-N 1 1 256.393 3.250 20 10 CGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(C)cc2O)cc1O ZINC000876631855 634871167 /nfs/dbraw/zinc/87/11/67/634871167.db2.gz ABJMEYQVBHHZSZ-UHFFFAOYSA-N 1 1 287.359 3.047 20 10 CGCDMO Cc1ccc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c(O)c1 ZINC000876642730 634874316 /nfs/dbraw/zinc/87/43/16/634874316.db2.gz KRWIGFANJDKGKV-TXEJJXNPSA-N 1 1 251.395 3.026 20 10 CGCDMO Cc1cccc(O)c1C[N@H+](C)[C@H](CCO)c1ccccc1 ZINC000876739986 634888926 /nfs/dbraw/zinc/88/89/26/634888926.db2.gz LHGRHSIBOSDJDA-QGZVFWFLSA-N 1 1 285.387 3.256 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000876778985 634898410 /nfs/dbraw/zinc/89/84/10/634898410.db2.gz UCYWIXHNIRILTN-MRXNPFEDSA-N 1 1 289.400 3.336 20 10 CGCDMO COCC[C@H]1CCCC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000877398276 635034285 /nfs/dbraw/zinc/03/42/85/635034285.db2.gz ODSQIRQPNBDJJE-OAHLLOKOSA-N 1 1 277.408 3.339 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2c(C)cccc2O)nc1 ZINC000877468401 635049049 /nfs/dbraw/zinc/04/90/49/635049049.db2.gz ICNZDZLZDCZNED-UHFFFAOYSA-N 1 1 256.349 3.036 20 10 CGCDMO CC[C@@H]([NH2+]C[C@H](C)CCOC)c1ccc(F)cc1O ZINC000840836227 635060934 /nfs/dbraw/zinc/06/09/34/635060934.db2.gz WCFGSVISOKFNNA-BXUZGUMPSA-N 1 1 269.360 3.245 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CS[C@@H](C)C1)c1ccc(F)cc1O ZINC000840860551 635067266 /nfs/dbraw/zinc/06/72/66/635067266.db2.gz UPNKUWCPHDGWIA-GAFUQQFSSA-N 1 1 269.385 3.466 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000877529145 635073668 /nfs/dbraw/zinc/07/36/68/635073668.db2.gz UOHDLYFPQQLSNO-CVEARBPZSA-N 1 1 289.419 3.339 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000877540456 635079694 /nfs/dbraw/zinc/07/96/94/635079694.db2.gz ZNTKJOUKTGKENF-HZPDHXFCSA-N 1 1 275.392 3.090 20 10 CGCDMO CCC[C@]1(CO)CC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840946183 635089429 /nfs/dbraw/zinc/08/94/29/635089429.db2.gz HUZXNLHOOXYRCX-INIZCTEOSA-N 1 1 297.826 3.339 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[NH2+]Cc1noc2c1CCCC2 ZINC000840945555 635089994 /nfs/dbraw/zinc/08/99/94/635089994.db2.gz QBUABEWBHGHNHU-UHFFFAOYSA-N 1 1 299.418 3.218 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2c(O)cc(C)cc2Cl)C[C@@H]1C ZINC000840949941 635091002 /nfs/dbraw/zinc/09/10/02/635091002.db2.gz DGWOXCISJHQZDJ-XHDPSFHLSA-N 1 1 283.799 3.211 20 10 CGCDMO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CS1 ZINC000840958807 635094393 /nfs/dbraw/zinc/09/43/93/635094393.db2.gz OFOQJRWXSYHJOB-APPZFPTMSA-N 1 1 275.776 3.168 20 10 CGCDMO CC(C)[C@@H]1[N@@H+](Cc2cc(F)ccc2O)CC12CCOCC2 ZINC000840968779 635095961 /nfs/dbraw/zinc/09/59/61/635095961.db2.gz CWCRLWYPUYHGSK-INIZCTEOSA-N 1 1 293.382 3.168 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c(O)c1 ZINC000877604130 635107447 /nfs/dbraw/zinc/10/74/47/635107447.db2.gz XFOCHGHYIOMUBB-JKSUJKDBSA-N 1 1 275.392 3.092 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@@H](CCF)C2)c(O)c1 ZINC000877630637 635121175 /nfs/dbraw/zinc/12/11/75/635121175.db2.gz HZLLQRYTFFNLIN-ZDUSSCGKSA-N 1 1 251.345 3.272 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000877653286 635133099 /nfs/dbraw/zinc/13/30/99/635133099.db2.gz FSXSNMBAHOIZAY-IBGZPJMESA-N 1 1 297.398 3.184 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)c(O)c1 ZINC000877672719 635140809 /nfs/dbraw/zinc/14/08/09/635140809.db2.gz LLPHKDGDPCIIEE-QZTJIDSGSA-N 1 1 297.398 3.399 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)c(O)c1 ZINC000877672718 635141345 /nfs/dbraw/zinc/14/13/45/635141345.db2.gz LLPHKDGDPCIIEE-MSOLQXFVSA-N 1 1 297.398 3.399 20 10 CGCDMO COc1cc(C[N@H+]2Cc3cccc(O)c3C2)ccc1C ZINC000877702938 635153829 /nfs/dbraw/zinc/15/38/29/635153829.db2.gz KTESXJRBFLUMMY-UHFFFAOYSA-N 1 1 269.344 3.225 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCCn2nccc21 ZINC000877778549 635200331 /nfs/dbraw/zinc/20/03/31/635200331.db2.gz PSJUPBXFVVMXOA-GFCCVEGCSA-N 1 1 295.745 3.006 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1ccc(Cl)cc1O ZINC000841753279 635227418 /nfs/dbraw/zinc/22/74/18/635227418.db2.gz GBPZQILZIFDBIR-GRYCIOLGSA-N 1 1 283.799 3.369 20 10 CGCDMO Cc1nnc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)s1 ZINC000841753696 635227651 /nfs/dbraw/zinc/22/76/51/635227651.db2.gz NHOGPABUZJJAPP-ZETCQYMHSA-N 1 1 283.784 3.056 20 10 CGCDMO C[C@@H]([NH2+]CC1(CO)CCCC1)c1ccc(Cl)cc1O ZINC000841752969 635227765 /nfs/dbraw/zinc/22/77/65/635227765.db2.gz RMSCLVRTWLIHFE-LLVKDONJSA-N 1 1 283.799 3.249 20 10 CGCDMO CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841755408 635228502 /nfs/dbraw/zinc/22/85/02/635228502.db2.gz PENOAKFDSMLSCQ-GXFFZTMASA-N 1 1 271.788 3.103 20 10 CGCDMO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841754866 635229167 /nfs/dbraw/zinc/22/91/67/635229167.db2.gz MWOWFAPDOWAZPS-GMXVVIOVSA-N 1 1 285.815 3.493 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000842928520 635514649 /nfs/dbraw/zinc/51/46/49/635514649.db2.gz JAJLRWCTOTYVIW-AUZPSNTRSA-N 1 1 289.375 3.018 20 10 CGCDMO Cc1cc(Cl)cc(CN(C2CC2)C2CC[NH2+]CC2)c1O ZINC000843043850 635547844 /nfs/dbraw/zinc/54/78/44/635547844.db2.gz LLMZQEMTMOPDHC-UHFFFAOYSA-N 1 1 294.826 3.070 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cscn1)c1ccc(N(C)C)cc1 ZINC000127344577 635630697 /nfs/dbraw/zinc/63/06/97/635630697.db2.gz OVDDVCUWSFHHNN-OAHLLOKOSA-N 1 1 275.421 3.450 20 10 CGCDMO CC(C)O[C@@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000843412979 635661195 /nfs/dbraw/zinc/66/11/95/635661195.db2.gz CPDQTFDMGQFIJL-DUMMIQTOSA-N 1 1 288.435 3.265 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC000843419630 635665302 /nfs/dbraw/zinc/66/53/02/635665302.db2.gz MMMQAOSSEAXHMG-OAHLLOKOSA-N 1 1 298.386 3.175 20 10 CGCDMO Cc1cc(C[N@@H+]2C[C@@H](C)OCC23CCC3)ccc1N(C)C ZINC000844420448 635895673 /nfs/dbraw/zinc/89/56/73/635895673.db2.gz BHJSRUWZXDDOGL-OAHLLOKOSA-N 1 1 288.435 3.204 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CNc2ccccc2C1)c1ccc(F)cc1O ZINC000844921805 635983976 /nfs/dbraw/zinc/98/39/76/635983976.db2.gz UZIWUFORLOJYEN-FZMZJTMJSA-N 1 1 286.350 3.219 20 10 CGCDMO CC[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2O)CC1 ZINC000211481144 636091014 /nfs/dbraw/zinc/09/10/14/636091014.db2.gz JAUXYBHJBSXPRS-ZDUSSCGKSA-N 1 1 263.381 3.413 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000846066211 636140359 /nfs/dbraw/zinc/14/03/59/636140359.db2.gz AJBLBADROQHEPZ-HNNXBMFYSA-N 1 1 288.435 3.204 20 10 CGCDMO FC1(F)[C@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]21 ZINC000846108986 636144572 /nfs/dbraw/zinc/14/45/72/636144572.db2.gz CGEUHMMVKLHZLW-IYBDPMFKSA-N 1 1 292.373 3.374 20 10 CGCDMO Cc1cc(C[N@H+](C)[C@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000106857823 636389258 /nfs/dbraw/zinc/38/92/58/636389258.db2.gz FOXQIKXGJKCKKV-AWEZNQCLSA-N 1 1 277.408 3.219 20 10 CGCDMO COC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1 ZINC000882997059 636498960 /nfs/dbraw/zinc/49/89/60/636498960.db2.gz UQHIKEYWIXXRBT-OAHLLOKOSA-N 1 1 293.313 3.148 20 10 CGCDMO Cc1nc(CC[NH2+]Cc2cc(F)cc(F)c2O)sc1C ZINC000883046627 636519833 /nfs/dbraw/zinc/51/98/33/636519833.db2.gz QOUCGVFSTWAWON-UHFFFAOYSA-N 1 1 298.358 3.076 20 10 CGCDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1c(O)cccc1Cl ZINC000130887000 636527143 /nfs/dbraw/zinc/52/71/43/636527143.db2.gz XNYIEIKPWFXAKJ-ZDUSSCGKSA-N 1 1 296.842 3.352 20 10 CGCDMO COc1cc(C)cc(C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000883074366 636530013 /nfs/dbraw/zinc/53/00/13/636530013.db2.gz VHDIQOOJNWRNII-UHFFFAOYSA-N 1 1 293.313 3.277 20 10 CGCDMO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000883121729 636547718 /nfs/dbraw/zinc/54/77/18/636547718.db2.gz QJYLGSUCDZLHFT-VFZGTOFNSA-N 1 1 291.297 3.282 20 10 CGCDMO COc1cccc(C[NH2+]Cc2cc(F)cc(F)c2O)c1C ZINC000883181999 636569843 /nfs/dbraw/zinc/56/98/43/636569843.db2.gz POGZVDQBOGFIGI-UHFFFAOYSA-N 1 1 293.313 3.277 20 10 CGCDMO CC[C@H]([NH2+]CCc1ccns1)c1ccc(F)cc1O ZINC000883247547 636617388 /nfs/dbraw/zinc/61/73/88/636617388.db2.gz OJLUTFDULKPKAX-ZDUSSCGKSA-N 1 1 280.368 3.271 20 10 CGCDMO CCc1cccc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)c1O ZINC000848885802 636673941 /nfs/dbraw/zinc/67/39/41/636673941.db2.gz SFFNSIBACWPHNF-OAHLLOKOSA-N 1 1 285.391 3.405 20 10 CGCDMO CCc1cccc(C[N@@H+](C)[C@@H]2CCN(CC)C[C@@H]2C)c1O ZINC000848888785 636676381 /nfs/dbraw/zinc/67/63/81/636676381.db2.gz ZILIFZRUXFZPNY-WMLDXEAASA-N 1 1 290.451 3.117 20 10 CGCDMO CCc1cccc(C[N@H+](C)[C@@H]2CCN(CC)C[C@@H]2C)c1O ZINC000848888785 636676386 /nfs/dbraw/zinc/67/63/86/636676386.db2.gz ZILIFZRUXFZPNY-WMLDXEAASA-N 1 1 290.451 3.117 20 10 CGCDMO CCc1cccc(C[N@H+]2CCS[C@@H](C)CC2)c1O ZINC000848904722 636684025 /nfs/dbraw/zinc/68/40/25/636684025.db2.gz AQRNXVPXPGWCCT-LBPRGKRZSA-N 1 1 265.422 3.282 20 10 CGCDMO C[N@H+]1CCC[C@@H]1CCSc1ncc(Cl)s1 ZINC000850000308 636925024 /nfs/dbraw/zinc/92/50/24/636925024.db2.gz PYTDNKIMJDHDHB-MRVPVSSYSA-N 1 1 262.831 3.373 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCOc3ccccc3C2)c1 ZINC000134092744 636998011 /nfs/dbraw/zinc/99/80/11/636998011.db2.gz YCIHMEOJGOMPAG-UHFFFAOYSA-N 1 1 269.344 3.095 20 10 CGCDMO CC[C@@H](COCC1CC1)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000850494580 637089497 /nfs/dbraw/zinc/08/94/97/637089497.db2.gz QMDGWOUYWQXGLL-RISCZKNCSA-N 1 1 281.371 3.387 20 10 CGCDMO CC[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1ccc(F)cc1O ZINC000850495185 637090952 /nfs/dbraw/zinc/09/09/52/637090952.db2.gz XVQXZLIWQMYCHD-UKRRQHHQSA-N 1 1 294.414 3.445 20 10 CGCDMO C[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccc(Cl)cc1O ZINC000850546581 637116905 /nfs/dbraw/zinc/11/69/05/637116905.db2.gz MWRNYQKVERNWRZ-JQWIXIFHSA-N 1 1 283.799 3.105 20 10 CGCDMO C[C@H]([NH2+]CCc1ccsc1)c1c(O)cccc1F ZINC000886496769 637542554 /nfs/dbraw/zinc/54/25/54/637542554.db2.gz HBKLVTMIZHAXIZ-JTQLQIEISA-N 1 1 265.353 3.486 20 10 CGCDMO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886532887 637557520 /nfs/dbraw/zinc/55/75/20/637557520.db2.gz QGWQRQIASYBCDX-MNOVXSKESA-N 1 1 269.360 3.386 20 10 CGCDMO C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)c1c(O)cccc1F ZINC000886536650 637561366 /nfs/dbraw/zinc/56/13/66/637561366.db2.gz MKXVZVBIIOWVLH-PEYYIBSZSA-N 1 1 281.371 3.123 20 10 CGCDMO CCc1noc(CC)c1C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886539460 637563461 /nfs/dbraw/zinc/56/34/61/637563461.db2.gz ZWRVROZCDPTVFN-SNVBAGLBSA-N 1 1 292.354 3.495 20 10 CGCDMO CCCC[N@@H+](CCO[C@@H]1CC1(F)F)Cc1ccccc1O ZINC000852017656 637571751 /nfs/dbraw/zinc/57/17/51/637571751.db2.gz CGQLYORHNZBVDW-OAHLLOKOSA-N 1 1 299.361 3.419 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H]1COC(C)(C)O1 ZINC000852018148 637573950 /nfs/dbraw/zinc/57/39/50/637573950.db2.gz KNIYFXPCPCAYDJ-OAHLLOKOSA-N 1 1 293.407 3.146 20 10 CGCDMO C[C@@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1c(O)cccc1F ZINC000886562086 637583512 /nfs/dbraw/zinc/58/35/12/637583512.db2.gz QHHJCERBSMTTNI-QWHCGFSZSA-N 1 1 295.398 3.371 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1c(O)cccc1F ZINC000886591731 637596305 /nfs/dbraw/zinc/59/63/05/637596305.db2.gz AFFNJZACOWTNDD-WBIUFABUSA-N 1 1 279.355 3.140 20 10 CGCDMO COC1(CC[NH2+][C@H](C)c2c(O)cccc2F)CCC1 ZINC000886613725 637605153 /nfs/dbraw/zinc/60/51/53/637605153.db2.gz CQDKSFFZCWPJGO-LLVKDONJSA-N 1 1 267.344 3.141 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1c(O)cccc1F ZINC000886623425 637614286 /nfs/dbraw/zinc/61/42/86/637614286.db2.gz DCMSTRBBRXRESH-NEPJUHHUSA-N 1 1 281.371 3.387 20 10 CGCDMO C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1c([O-])cccc1F ZINC000886623817 637614746 /nfs/dbraw/zinc/61/47/46/637614746.db2.gz OXYBWCJFINAYHG-LBPRGKRZSA-N 1 1 280.387 3.056 20 10 CGCDMO Cc1cc(C[NH2+][C@@H](C)c2c(O)cccc2F)cc(C)n1 ZINC000886626423 637616410 /nfs/dbraw/zinc/61/64/10/637616410.db2.gz AYPQBZGTOGVPDE-LBPRGKRZSA-N 1 1 274.339 3.394 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1c(O)cccc1F ZINC000886646963 637626889 /nfs/dbraw/zinc/62/68/89/637626889.db2.gz ZFIXMASHTXWHND-STQMWFEESA-N 1 1 293.382 3.389 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1c(O)cccc1F ZINC000886651687 637630928 /nfs/dbraw/zinc/63/09/28/637630928.db2.gz OSVHBZPWCNEHHT-VXGBXAGGSA-N 1 1 279.355 3.284 20 10 CGCDMO C[C@@H]([NH2+]CCOCCF)c1cc(Cl)c(Cl)cc1O ZINC000853238770 637789932 /nfs/dbraw/zinc/78/99/32/637789932.db2.gz QHRKAICBCTWJRE-MRVPVSSYSA-N 1 1 296.169 3.336 20 10 CGCDMO C[N@H+](Cc1cc(-c2ccco2)on1)Cc1ccccc1O ZINC000111236471 637805093 /nfs/dbraw/zinc/80/50/93/637805093.db2.gz DPCXZQTWVDWZSK-UHFFFAOYSA-N 1 1 284.315 3.272 20 10 CGCDMO C[N@@H+](Cc1cc(-c2ccco2)on1)Cc1ccccc1O ZINC000111236471 637805096 /nfs/dbraw/zinc/80/50/96/637805096.db2.gz DPCXZQTWVDWZSK-UHFFFAOYSA-N 1 1 284.315 3.272 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000853584770 637870231 /nfs/dbraw/zinc/87/02/31/637870231.db2.gz BMBKLPTXOVADMU-HUUCEWRRSA-N 1 1 283.371 3.014 20 10 CGCDMO C[C@H]([NH2+]CCOC1CCCC1)c1ccc(F)cc1O ZINC000111635214 637931989 /nfs/dbraw/zinc/93/19/89/637931989.db2.gz KQFCCTWQXXGAPJ-NSHDSACASA-N 1 1 267.344 3.141 20 10 CGCDMO C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccc2ccccc2c1[O-] ZINC000925739571 638591228 /nfs/dbraw/zinc/59/12/28/638591228.db2.gz ZAJFCKGVKQVVRH-GFCCVEGCSA-N 1 1 272.392 3.323 20 10 CGCDMO CN(C)c1ccc(C[NH2+][C@@H]2CCCc3scnc32)cc1 ZINC000858347282 638688981 /nfs/dbraw/zinc/68/89/81/638688981.db2.gz VHYJYCQAECUEAL-CQSZACIVSA-N 1 1 287.432 3.376 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(F)cc(F)c1[O-] ZINC000858490524 638741036 /nfs/dbraw/zinc/74/10/36/638741036.db2.gz JTMHVVYMYBLHBN-RYUDHWBXSA-N 1 1 298.377 3.053 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1[O-] ZINC000858490698 638741165 /nfs/dbraw/zinc/74/11/65/638741165.db2.gz LZCJEDZTJXUVKE-XJKSGUPXSA-N 1 1 294.414 3.304 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1ccc(F)cc1O ZINC000858546792 638758390 /nfs/dbraw/zinc/75/83/90/638758390.db2.gz FMRDKCJYWKIISH-INWMFGNUSA-N 1 1 279.355 3.140 20 10 CGCDMO CCC[N@@H+](C/C=C(/C)COC)Cc1ccccc1O ZINC000929753117 638946934 /nfs/dbraw/zinc/94/69/34/638946934.db2.gz LJAAXATVDXCLAM-ZROIWOOFSA-N 1 1 263.381 3.197 20 10 CGCDMO C[C@H]1CC(F)(F)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000859837232 639235205 /nfs/dbraw/zinc/23/52/05/639235205.db2.gz FJYQYEOZQVLTDQ-LBPRGKRZSA-N 1 1 268.351 3.372 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCCSC[C@H]2C)c1O ZINC000934301698 639575648 /nfs/dbraw/zinc/57/56/48/639575648.db2.gz WYFMZNLIYWXZAD-SNVBAGLBSA-N 1 1 297.395 3.061 20 10 CGCDMO C[C@H]1SCC[N@@H+](Cc2cc3c(cc2O)CCC3)[C@@H]1C ZINC000118381783 639599226 /nfs/dbraw/zinc/59/92/26/639599226.db2.gz JYSJMPTVKGCDED-VXGBXAGGSA-N 1 1 277.433 3.207 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)cc1OC ZINC000159781205 640069152 /nfs/dbraw/zinc/06/91/52/640069152.db2.gz GUQNCZFLGHLIDB-GXTWGEPZSA-N 1 1 293.407 3.420 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCCSCC1)CCCC2 ZINC000159860715 640073915 /nfs/dbraw/zinc/07/39/15/640073915.db2.gz POHFCOWLPDRHSE-UHFFFAOYSA-N 1 1 277.433 3.210 20 10 CGCDMO COc1cc(C[N@@H+](C)C(C2CC2)C2CC2)c(O)cc1C ZINC000160064230 640087996 /nfs/dbraw/zinc/08/79/96/640087996.db2.gz QUZIQJIVVQHHHD-UHFFFAOYSA-N 1 1 275.392 3.330 20 10 CGCDMO Cc1cccc(C[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c1O ZINC000245861991 640642153 /nfs/dbraw/zinc/64/21/53/640642153.db2.gz IWLKSVMLXUITNN-SFHVURJKSA-N 1 1 296.414 3.189 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](C)[C@H]2C)c1O ZINC000245948691 640649820 /nfs/dbraw/zinc/64/98/20/640649820.db2.gz SFMRASGONVPLPZ-CHWSQXEVSA-N 1 1 263.381 3.411 20 10 CGCDMO C[N@H+](Cc1ccccc1O)CC1=Cc2ccccc2OC1 ZINC000091956820 640727034 /nfs/dbraw/zinc/72/70/34/640727034.db2.gz PGZPPDYZOQLBDZ-UHFFFAOYSA-N 1 1 281.355 3.300 20 10 CGCDMO CCOc1cccc(C[N@H+]2CCOC[C@H]2CC(C)C)c1O ZINC000093340145 640769304 /nfs/dbraw/zinc/76/93/04/640769304.db2.gz SYNBNGCAFUOTDB-OAHLLOKOSA-N 1 1 293.407 3.038 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCS1 ZINC000093502188 640773703 /nfs/dbraw/zinc/77/37/03/640773703.db2.gz GFJYNUVZLFPUJR-GFCCVEGCSA-N 1 1 271.813 3.373 20 10 CGCDMO Cc1cccc(CNc2nc(NC(C)C)c(C)c[nH+]2)c1O ZINC001160764486 806300635 /nfs/dbraw/zinc/30/06/35/806300635.db2.gz JVFZRSCPIYFZRU-UHFFFAOYSA-N 1 1 286.379 3.231 20 10 CGCDMO Oc1cc2c(cc1O)C[N@H+](C1CCC(F)(F)CC1)CCC2 ZINC001254226276 806374029 /nfs/dbraw/zinc/37/40/29/806374029.db2.gz YNMPDZRKBAAPGG-UHFFFAOYSA-N 1 1 297.345 3.424 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)[C@@H](C)C1 ZINC000305919985 799213935 /nfs/dbraw/zinc/21/39/35/799213935.db2.gz GWLMSQZFKRWJNH-QWRGUYRKSA-N 1 1 269.772 3.045 20 10 CGCDMO CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)[C@@H](C)CO1 ZINC000403863313 799572202 /nfs/dbraw/zinc/57/22/02/799572202.db2.gz ZXHZBJGGLWCBMZ-GXFFZTMASA-N 1 1 269.772 3.045 20 10 CGCDMO CC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)[C@@H](C)CO1 ZINC000403863313 799572205 /nfs/dbraw/zinc/57/22/05/799572205.db2.gz ZXHZBJGGLWCBMZ-GXFFZTMASA-N 1 1 269.772 3.045 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC000692058700 799791244 /nfs/dbraw/zinc/79/12/44/799791244.db2.gz BRTRLWAJUWCKEU-LLVKDONJSA-N 1 1 269.772 3.047 20 10 CGCDMO CO[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)C1CCCC1 ZINC000692985049 799805710 /nfs/dbraw/zinc/80/57/10/799805710.db2.gz ZMJFTFZDRMYXJS-MEDUHNTESA-N 1 1 281.371 3.387 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1ccc(F)cc1O ZINC000697752934 799848013 /nfs/dbraw/zinc/84/80/13/799848013.db2.gz NOUIPNSTIOEZRT-DTWKUNHWSA-N 1 1 261.287 3.473 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1cscn1 ZINC000697821809 799849796 /nfs/dbraw/zinc/84/97/96/799849796.db2.gz PDUAVZZJXUJTMI-DTWKUNHWSA-N 1 1 266.341 3.400 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1O ZINC000699242283 799858376 /nfs/dbraw/zinc/85/83/76/799858376.db2.gz BPHXQPHLLLGNGV-GHMZBOCLSA-N 1 1 279.767 3.090 20 10 CGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1O ZINC000699242283 799858381 /nfs/dbraw/zinc/85/83/81/799858381.db2.gz BPHXQPHLLLGNGV-GHMZBOCLSA-N 1 1 279.767 3.090 20 10 CGCDMO CCCO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000701666423 799894085 /nfs/dbraw/zinc/89/40/85/799894085.db2.gz VNLPCEHMBKTQOE-ZDUSSCGKSA-N 1 1 269.772 3.047 20 10 CGCDMO COc1ccc(C[N@H+]2CCCC(F)(F)CC2)c(O)c1 ZINC000702767998 799913049 /nfs/dbraw/zinc/91/30/49/799913049.db2.gz LFKWVNRMNUEHIH-UHFFFAOYSA-N 1 1 271.307 3.022 20 10 CGCDMO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2O)C12CCC2 ZINC000713482997 800111210 /nfs/dbraw/zinc/11/12/10/800111210.db2.gz XCZSZNSUOGLTCC-NZVBXONLSA-N 1 1 279.355 3.140 20 10 CGCDMO CC[N@H+](Cc1ccc(N2CCN(C)CC2)cc1)C(C)(C)C ZINC001117748401 802487285 /nfs/dbraw/zinc/48/72/85/802487285.db2.gz YWSOQVPZJZFQHS-UHFFFAOYSA-N 1 1 289.467 3.059 20 10 CGCDMO CC[N@@H+](Cc1ccc(N2CCN(C)CC2)cc1)C(C)(C)C ZINC001117748401 802487291 /nfs/dbraw/zinc/48/72/91/802487291.db2.gz YWSOQVPZJZFQHS-UHFFFAOYSA-N 1 1 289.467 3.059 20 10 CGCDMO Nc1ccc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)cc1 ZINC001120370889 802742314 /nfs/dbraw/zinc/74/23/14/802742314.db2.gz IPFCUYFGVFVGRM-LJQANCHMSA-N 1 1 296.414 3.450 20 10 CGCDMO CC[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccccc1O ZINC001137080725 803681309 /nfs/dbraw/zinc/68/13/09/803681309.db2.gz PQBYXTCZMHSPQQ-UHFFFAOYSA-N 1 1 273.380 3.192 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@@H]2CO)c(C)n1-c1ccccc1 ZINC001137856234 803785701 /nfs/dbraw/zinc/78/57/01/803785701.db2.gz VPXJHKKUUXLFAP-GOSISDBHSA-N 1 1 284.403 3.051 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@](C)(O)C2)c(C)n1-c1ccccc1 ZINC001137856304 803786410 /nfs/dbraw/zinc/78/64/10/803786410.db2.gz YLAUUQBUAMTDFJ-SFHVURJKSA-N 1 1 284.403 3.051 20 10 CGCDMO Oc1c(F)cccc1C[NH+]1CCC2(CC(F)C2)CC1 ZINC001138123731 803863951 /nfs/dbraw/zinc/86/39/51/803863951.db2.gz JDNFBLAFHDVQEC-UHFFFAOYSA-N 1 1 267.319 3.245 20 10 CGCDMO COC[C@@H]1CCC[N@H+]1Cc1c(C)n(C)c2ccccc21 ZINC001138252274 803879022 /nfs/dbraw/zinc/87/90/22/803879022.db2.gz AFXVAXXWNOJZEU-AWEZNQCLSA-N 1 1 272.392 3.098 20 10 CGCDMO Cc1c(C[N@H+]2CCC3(C2)CCOCC3)c2ccccc2n1C ZINC001138256890 803881292 /nfs/dbraw/zinc/88/12/92/803881292.db2.gz OJJKULVRVVKHEO-UHFFFAOYSA-N 1 1 298.430 3.489 20 10 CGCDMO Cc1c(C[N@H+]2CCCCC23COC3)c2ccccc2n1C ZINC001138256712 803881539 /nfs/dbraw/zinc/88/15/39/803881539.db2.gz HPBXTSACNMBPGS-UHFFFAOYSA-N 1 1 284.403 3.242 20 10 CGCDMO CC[N@@H+](Cc1c(C)n(C)c2ccccc21)CC(C)(C)O ZINC001138258615 803883692 /nfs/dbraw/zinc/88/36/92/803883692.db2.gz WTRSZFWTDFLWCN-UHFFFAOYSA-N 1 1 274.408 3.080 20 10 CGCDMO CC[N@H+]1CCN(Cc2c3ccccc3n(C)c2C)[C@H](C)C1 ZINC001138260623 803883733 /nfs/dbraw/zinc/88/37/33/803883733.db2.gz NBUCTCNGFCYSEY-CQSZACIVSA-N 1 1 285.435 3.013 20 10 CGCDMO CCN1CC[N@H+](Cc2c3ccccc3n(C)c2C)[C@H](C)C1 ZINC001138260623 803883741 /nfs/dbraw/zinc/88/37/41/803883741.db2.gz NBUCTCNGFCYSEY-CQSZACIVSA-N 1 1 285.435 3.013 20 10 CGCDMO CCN1CC[N@@H+](Cc2c3ccccc3n(C)c2C)[C@H](C)C1 ZINC001138260623 803883749 /nfs/dbraw/zinc/88/37/49/803883749.db2.gz NBUCTCNGFCYSEY-CQSZACIVSA-N 1 1 285.435 3.013 20 10 CGCDMO CC[N@@H+](Cc1cc2c3c(c1O)CCCN3CCC2)C(C)C ZINC001138336199 803899039 /nfs/dbraw/zinc/89/90/39/803899039.db2.gz MAVXWOJMOZPWQR-UHFFFAOYSA-N 1 1 288.435 3.321 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CCC[C@@H]4C[C@@H]43)ccc21 ZINC001138359227 803902124 /nfs/dbraw/zinc/90/21/24/803902124.db2.gz OAWAWZRRQQMUBI-WBVHZDCISA-N 1 1 256.393 3.053 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3C[C@@H]4C[C@H]3C[C@H]4F)ccc21 ZINC001138358786 803902839 /nfs/dbraw/zinc/90/28/39/803902839.db2.gz ZRTVPSPNMHCAMY-HRCADAONSA-N 1 1 274.383 3.001 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2C)c(OC)c1 ZINC001138386160 803912855 /nfs/dbraw/zinc/91/28/55/803912855.db2.gz IDJDHKQFXYFBPR-HIFRSBDPSA-N 1 1 294.414 3.474 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](F)C[C@H]2C)c(OC)c1 ZINC001138386160 803912861 /nfs/dbraw/zinc/91/28/61/803912861.db2.gz IDJDHKQFXYFBPR-HIFRSBDPSA-N 1 1 294.414 3.474 20 10 CGCDMO CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc(F)ccc2O)CC1 ZINC001140055839 804362694 /nfs/dbraw/zinc/36/26/94/804362694.db2.gz XJKZIGFLKFWQHZ-UHFFFAOYSA-N 1 1 294.414 3.084 20 10 CGCDMO CCCO[C@H]1CC[N@@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140179457 804396123 /nfs/dbraw/zinc/39/61/23/804396123.db2.gz KQZDBEHFBBFYBB-AWEZNQCLSA-N 1 1 263.381 3.010 20 10 CGCDMO CC[N@@H+](Cc1ccncc1)Cc1c(C)ccc(C)c1O ZINC001140180709 804396643 /nfs/dbraw/zinc/39/66/43/804396643.db2.gz OTEMQJKCHMLJKE-UHFFFAOYSA-N 1 1 270.376 3.426 20 10 CGCDMO CCC(CC)[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140287611 804408684 /nfs/dbraw/zinc/40/86/84/804408684.db2.gz FISGPNDSTIMQEY-UHFFFAOYSA-N 1 1 290.451 3.268 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001140339413 804420108 /nfs/dbraw/zinc/42/01/08/804420108.db2.gz UUYFZWWXVYNSJS-IAQYHMDHSA-N 1 1 281.783 3.047 20 10 CGCDMO Cc1cnc2c(c1)C[N@@H+](Cc1c(O)cccc1Cl)CC2 ZINC001140342455 804420275 /nfs/dbraw/zinc/42/02/75/804420275.db2.gz JTDRZAQMPZTEQF-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1cnc2c(c1)C[N@H+](Cc1c(O)cccc1Cl)CC2 ZINC001140342455 804420280 /nfs/dbraw/zinc/42/02/80/804420280.db2.gz JTDRZAQMPZTEQF-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]3C[C@@H]32)c(O)c1 ZINC001140857410 804535810 /nfs/dbraw/zinc/53/58/10/804535810.db2.gz PZZDPBLIFIDWJJ-CJNGLKHVSA-N 1 1 274.408 3.223 20 10 CGCDMO Cc1ccc(C[N@@H+]2CCC(=O)[C@H](C)C23CCCC3)c(O)c1 ZINC001140954710 804558317 /nfs/dbraw/zinc/55/83/17/804558317.db2.gz WXGOSCDFYGNKGS-AWEZNQCLSA-N 1 1 287.403 3.424 20 10 CGCDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141156647 804600625 /nfs/dbraw/zinc/60/06/25/804600625.db2.gz PPYOZVLWRXWSAH-ZDUSSCGKSA-N 1 1 299.370 3.096 20 10 CGCDMO Oc1ccc(O)c(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC001141161393 804601614 /nfs/dbraw/zinc/60/16/14/804601614.db2.gz RBGNJCWBQTYHKE-ZDUSSCGKSA-N 1 1 287.334 3.226 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2O)CCC1(F)F ZINC001142508908 804727522 /nfs/dbraw/zinc/72/75/22/804727522.db2.gz PNGLQEIGYIGHER-MRVPVSSYSA-N 1 1 277.261 3.148 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)CCC1(F)F ZINC001142508908 804727528 /nfs/dbraw/zinc/72/75/28/804727528.db2.gz PNGLQEIGYIGHER-MRVPVSSYSA-N 1 1 277.261 3.148 20 10 CGCDMO C[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)[C@@H]1C ZINC001142521041 804731645 /nfs/dbraw/zinc/73/16/45/804731645.db2.gz VFEPNVKNDXJPKT-NXEZZACHSA-N 1 1 255.308 3.291 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)[C@@H]1C ZINC001142521041 804731646 /nfs/dbraw/zinc/73/16/46/804731646.db2.gz VFEPNVKNDXJPKT-NXEZZACHSA-N 1 1 255.308 3.291 20 10 CGCDMO [O-]c1cc(F)c(F)cc1C[N@H+]1CC2CCC1CC2 ZINC001142524951 804732090 /nfs/dbraw/zinc/73/20/90/804732090.db2.gz QVWYDWQMQNLSRD-UHFFFAOYSA-N 1 1 253.292 3.045 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC2CCC1CC2 ZINC001142524951 804732097 /nfs/dbraw/zinc/73/20/97/804732097.db2.gz QVWYDWQMQNLSRD-UHFFFAOYSA-N 1 1 253.292 3.045 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC2CCC1CC2 ZINC001142524951 804732100 /nfs/dbraw/zinc/73/21/00/804732100.db2.gz QVWYDWQMQNLSRD-UHFFFAOYSA-N 1 1 253.292 3.045 20 10 CGCDMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142527069 804733823 /nfs/dbraw/zinc/73/38/23/804733823.db2.gz JQEQTTHCASIYOK-AOOOYVTPSA-N 1 1 255.308 3.148 20 10 CGCDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142527069 804733825 /nfs/dbraw/zinc/73/38/25/804733825.db2.gz JQEQTTHCASIYOK-AOOOYVTPSA-N 1 1 255.308 3.148 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(-c2noc(C(C)(C)[NH3+])n2)cc1 ZINC001247492446 804750784 /nfs/dbraw/zinc/75/07/84/804750784.db2.gz VLKAXTRWCKFJDK-UHFFFAOYSA-N 1 1 296.374 3.338 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)CCC1=O ZINC001143103943 804801344 /nfs/dbraw/zinc/80/13/44/804801344.db2.gz NIVYGDAOVOQDGG-CYBMUJFWSA-N 1 1 289.419 3.491 20 10 CGCDMO Cn1cc(C[N@@H+](C)Cc2cccc(C(C)(C)C)c2O)cn1 ZINC001143104785 804802092 /nfs/dbraw/zinc/80/20/92/804802092.db2.gz ZTRNUGPSZYZRPJ-UHFFFAOYSA-N 1 1 287.407 3.055 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CCC[C@@H]2c2cccs2)c(O)c1 ZINC001144509033 804997801 /nfs/dbraw/zinc/99/78/01/804997801.db2.gz ILAUVOGYLKHHIC-GFCCVEGCSA-N 1 1 291.372 3.202 20 10 CGCDMO CSCC[N@@H+](C)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249258137 805121787 /nfs/dbraw/zinc/12/17/87/805121787.db2.gz DIDSZCVUYDYROJ-UHFFFAOYSA-N 1 1 293.432 3.371 20 10 CGCDMO Oc1cc2c(cc1O)C[N@H+](C1CCCCC1)CCC2 ZINC001257461129 807168386 /nfs/dbraw/zinc/16/83/86/807168386.db2.gz JPEYXRKOYFOGBQ-UHFFFAOYSA-N 1 1 261.365 3.179 20 10 CGCDMO CC(C)OC1CCC([N@H+]2CCc3cccc(O)c3C2)CC1 ZINC001257884662 807238095 /nfs/dbraw/zinc/23/80/95/807238095.db2.gz ZGPMIPBGNJDAIK-UHFFFAOYSA-N 1 1 289.419 3.487 20 10 CGCDMO CC[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)CCO1 ZINC001170237214 807799244 /nfs/dbraw/zinc/79/92/44/807799244.db2.gz HRVKBJVAYCSSIQ-IAGOWNOFSA-N 1 1 276.424 3.142 20 10 CGCDMO CCOC[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC001171025966 807963744 /nfs/dbraw/zinc/96/37/44/807963744.db2.gz JXZAZTXKBNXQJB-KRWDZBQOSA-N 1 1 290.451 3.452 20 10 CGCDMO CN(C)c1nc(NCc2cc3ccccc3cc2O)cc[nH+]1 ZINC001171399397 808045033 /nfs/dbraw/zinc/04/50/33/808045033.db2.gz FFDRYBVYGQZWOH-UHFFFAOYSA-N 1 1 294.358 3.014 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172128344 808186161 /nfs/dbraw/zinc/18/61/61/808186161.db2.gz RGRYZRHNILXGLL-BJWYYQGGSA-N 1 1 288.435 3.229 20 10 CGCDMO CC[C@H]1CC[C@@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001173291372 808591049 /nfs/dbraw/zinc/59/10/49/808591049.db2.gz AVIFSQSZVAHYAW-SWLSCSKDSA-N 1 1 275.392 3.425 20 10 CGCDMO CCSC[C@@H](C)[N@@H+](CC)Cc1ccccc1O ZINC001173312256 808606076 /nfs/dbraw/zinc/60/60/76/808606076.db2.gz SBLKHZFNFAFKOK-GFCCVEGCSA-N 1 1 253.411 3.356 20 10 CGCDMO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1O ZINC001179494876 809924701 /nfs/dbraw/zinc/92/47/01/809924701.db2.gz XVDIFABFDFLCAN-VIFPVBQESA-N 1 1 279.286 3.227 20 10 CGCDMO Cc1ccc(C[N@H+]2CCS[C@@H](C(C)C)C2)c(O)c1 ZINC001180142982 809978358 /nfs/dbraw/zinc/97/83/58/809978358.db2.gz TVCXLIXDDVABCK-OAHLLOKOSA-N 1 1 265.422 3.274 20 10 CGCDMO C[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H]1CCC=CO1 ZINC001181554455 810058838 /nfs/dbraw/zinc/05/88/38/810058838.db2.gz DRJAFQHGYNPEGU-SFHVURJKSA-N 1 1 286.419 3.411 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC001181870249 810077427 /nfs/dbraw/zinc/07/74/27/810077427.db2.gz MQXNLMSCICHNNG-BLLLJJGKSA-N 1 1 279.330 3.291 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC001181870249 810077429 /nfs/dbraw/zinc/07/74/29/810077429.db2.gz MQXNLMSCICHNNG-BLLLJJGKSA-N 1 1 279.330 3.291 20 10 CGCDMO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)c(F)cc1O ZINC001182344950 810107582 /nfs/dbraw/zinc/10/75/82/810107582.db2.gz LJKLOJDYFQWSSB-UKRRQHHQSA-N 1 1 285.334 3.108 20 10 CGCDMO CCCCCCN1CC[NH+](Cc2ccccc2O)CC1 ZINC001203556735 812390705 /nfs/dbraw/zinc/39/07/05/812390705.db2.gz VQWRDLJBDZCAES-UHFFFAOYSA-N 1 1 276.424 3.090 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccc(C)nc2)c(O)c1 ZINC001203629236 812410653 /nfs/dbraw/zinc/41/06/53/812410653.db2.gz UBRRRBNHUFOVAH-KRWDZBQOSA-N 1 1 298.386 3.441 20 10 CGCDMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2nccs2)c(O)c1 ZINC001203629019 812410779 /nfs/dbraw/zinc/41/07/79/812410779.db2.gz OERUXJZAVLHXMR-CYBMUJFWSA-N 1 1 290.388 3.194 20 10 CGCDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2nccs2)c(O)c1 ZINC001203629019 812410782 /nfs/dbraw/zinc/41/07/82/812410782.db2.gz OERUXJZAVLHXMR-CYBMUJFWSA-N 1 1 290.388 3.194 20 10 CGCDMO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1cc(Cl)ccc1O ZINC001203664691 812422195 /nfs/dbraw/zinc/42/21/95/812422195.db2.gz QAEFVOSLJBNABY-HZMBPMFUSA-N 1 1 299.798 3.065 20 10 CGCDMO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)Cc1cc(Cl)ccc1O ZINC001203664691 812422200 /nfs/dbraw/zinc/42/22/00/812422200.db2.gz QAEFVOSLJBNABY-HZMBPMFUSA-N 1 1 299.798 3.065 20 10 CGCDMO COc1ccc2c(c1)CC[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001203929384 812494975 /nfs/dbraw/zinc/49/49/75/812494975.db2.gz BJNXIMFHQJHLDI-UHFFFAOYSA-N 1 1 296.414 3.320 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](CO)CC[C@H]2C)cc1 ZINC001203936829 812497393 /nfs/dbraw/zinc/49/73/93/812497393.db2.gz OXFQOEZUFPLCKX-WBVHZDCISA-N 1 1 290.451 3.126 20 10 CGCDMO CCN(CC)c1ccc(CN2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC001203943489 812499305 /nfs/dbraw/zinc/49/93/05/812499305.db2.gz DRTGLOHHOCEZGZ-MRXNPFEDSA-N 1 1 289.467 3.059 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+]2CCN(CC)C[C@H]2C)cc1 ZINC001203943489 812499309 /nfs/dbraw/zinc/49/93/09/812499309.db2.gz DRTGLOHHOCEZGZ-MRXNPFEDSA-N 1 1 289.467 3.059 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCN(CC)C[C@H]2C)cc1 ZINC001203943489 812499314 /nfs/dbraw/zinc/49/93/14/812499314.db2.gz DRTGLOHHOCEZGZ-MRXNPFEDSA-N 1 1 289.467 3.059 20 10 CGCDMO Oc1ccc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c(O)c1 ZINC001204279426 812595018 /nfs/dbraw/zinc/59/50/18/812595018.db2.gz YSEBATNDBDGYMO-CYBMUJFWSA-N 1 1 287.334 3.226 20 10 CGCDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204325634 812614505 /nfs/dbraw/zinc/61/45/05/812614505.db2.gz RVOZAJVZIHYSGE-SFHVURJKSA-N 1 1 288.435 3.288 20 10 CGCDMO CCC[N@@H+](Cc1cc(O)c(O)c(OC)c1)[C@@H](C)CC ZINC001204340228 812616794 /nfs/dbraw/zinc/61/67/94/812616794.db2.gz ISEZBFJNUXULJA-NSHDSACASA-N 1 1 267.369 3.117 20 10 CGCDMO C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc2ccccc2cc1[O-] ZINC001205915845 813130794 /nfs/dbraw/zinc/13/07/94/813130794.db2.gz QVWXYCBBTKRDDQ-CZUORRHYSA-N 1 1 284.403 3.105 20 10 CGCDMO C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc2ccccc2cc1[O-] ZINC001205915845 813130795 /nfs/dbraw/zinc/13/07/95/813130795.db2.gz QVWXYCBBTKRDDQ-CZUORRHYSA-N 1 1 284.403 3.105 20 10 CGCDMO C[C@]1(C[NH3+])CCCC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001206572552 813360043 /nfs/dbraw/zinc/36/00/43/813360043.db2.gz CNMIQPGDLFFFMJ-LJQANCHMSA-N 1 1 298.430 3.496 20 10 CGCDMO C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001206572552 813360050 /nfs/dbraw/zinc/36/00/50/813360050.db2.gz CNMIQPGDLFFFMJ-LJQANCHMSA-N 1 1 298.430 3.496 20 10 CGCDMO CC(C)(C[NH2+]Cc1cc(F)c(F)cc1O)[C@H]1CCCCO1 ZINC001207043017 813471020 /nfs/dbraw/zinc/47/10/20/813471020.db2.gz HOHYLJNOVVHZLH-OAHLLOKOSA-N 1 1 299.361 3.355 20 10 CGCDMO Cc1nccc(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001207165968 813502223 /nfs/dbraw/zinc/50/22/23/813502223.db2.gz RKEXOJCOWASXNW-UHFFFAOYSA-N 1 1 296.418 3.017 20 10 CGCDMO C[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2F)C[C@@H](C)C1 ZINC001207621813 813619368 /nfs/dbraw/zinc/61/93/68/813619368.db2.gz JZMZKSYCGSYGEU-GDNZZTSVSA-N 1 1 251.345 3.446 20 10 CGCDMO Cc1ccc(CCC[N@H+]2CCc3cccc(O)c3C2)o1 ZINC001207949878 813678392 /nfs/dbraw/zinc/67/83/92/813678392.db2.gz JUIXLKLVIRTKBQ-UHFFFAOYSA-N 1 1 271.360 3.285 20 10 CGCDMO C[C@H]1C[C@@H]1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001209421450 814022777 /nfs/dbraw/zinc/02/27/77/814022777.db2.gz PUAVGDOGMFBYAY-GOEBONIOSA-N 1 1 258.409 3.375 20 10 CGCDMO COc1ccc2c(c1)c1c(n2C)CC[N@H+](C[C@H]2C[C@H]2C)C1 ZINC001209421826 814024258 /nfs/dbraw/zinc/02/42/58/814024258.db2.gz PMTWTESFOWOBJE-CHWSQXEVSA-N 1 1 284.403 3.201 20 10 CGCDMO COCC[N@@H+](C)Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209519528 814072746 /nfs/dbraw/zinc/07/27/46/814072746.db2.gz WYOWQOHNMJCRMI-UHFFFAOYSA-N 1 1 272.392 3.172 20 10 CGCDMO CC[N@@H+](Cc1c2ccccc2nn1C)Cc1ccccc1O ZINC001209541023 814078502 /nfs/dbraw/zinc/07/85/02/814078502.db2.gz UOPCOLGHRAYQFD-UHFFFAOYSA-N 1 1 295.386 3.301 20 10 CGCDMO C[N@H+]1CCc2ccc(Nc3ccc4c(c3)OCCN4)cc2C1 ZINC001209792649 814141289 /nfs/dbraw/zinc/14/12/89/814141289.db2.gz SWOKXICPUAFQJD-UHFFFAOYSA-N 1 1 295.386 3.222 20 10 CGCDMO Oc1ccc2ccccc2c1CN1CCC[C@]12CCC[NH2+]C2 ZINC001222250061 816385680 /nfs/dbraw/zinc/38/56/80/816385680.db2.gz ZLTBENJJJZYEHX-IBGZPJMESA-N 1 1 296.414 3.263 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@H](c3ccncc3)C2)c1O ZINC001231593122 818131479 /nfs/dbraw/zinc/13/14/79/818131479.db2.gz NHOLVJDUOYDCKS-HNNXBMFYSA-N 1 1 268.360 3.085 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@@](C)(F)CC2)c1O ZINC001231590587 818131750 /nfs/dbraw/zinc/13/17/50/818131750.db2.gz BKXTVOGIXQXLOE-OAHLLOKOSA-N 1 1 251.345 3.415 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1cccc(C)c1O ZINC001231593712 818132091 /nfs/dbraw/zinc/13/20/91/818132091.db2.gz LKHMXPXEYGGNGP-UHFFFAOYSA-N 1 1 271.360 3.428 20 10 CGCDMO Cc1cccc(C[N@@H+](C2CCC2)C2CCOCC2)c1O ZINC001231594582 818133618 /nfs/dbraw/zinc/13/36/18/818133618.db2.gz ILYPHEHSDNLJSY-UHFFFAOYSA-N 1 1 275.392 3.234 20 10 CGCDMO COC(=O)c1cccc(C[N@@H+](C)Cc2cccc(C)c2O)c1 ZINC001231595124 818133733 /nfs/dbraw/zinc/13/37/33/818133733.db2.gz STYIXNHBQYZHSH-UHFFFAOYSA-N 1 1 299.370 3.119 20 10 CGCDMO Cc1cc(C)c(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)c(O)c1 ZINC001231842067 818186132 /nfs/dbraw/zinc/18/61/32/818186132.db2.gz JGODLZNNAIXBQI-BXUZGUMPSA-N 1 1 251.345 3.189 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@H](F)C1 ZINC001231848638 818187128 /nfs/dbraw/zinc/18/71/28/818187128.db2.gz JDFVGRUKRSTLAH-AWEZNQCLSA-N 1 1 280.387 3.085 20 10 CGCDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C)cc(C)cc1O ZINC001231847958 818187673 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ZINC001231870043 818194343 /nfs/dbraw/zinc/19/43/43/818194343.db2.gz HAUPBRCTRJLQJI-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCc3cccnc3C2)cc1Cl ZINC001231870043 818194348 /nfs/dbraw/zinc/19/43/48/818194348.db2.gz HAUPBRCTRJLQJI-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@](C)(O)CC2)cc1Cl ZINC001231869427 818194782 /nfs/dbraw/zinc/19/47/82/818194782.db2.gz QGFAPPQDSLFXJG-MLGOLLRUSA-N 1 1 297.826 3.337 20 10 CGCDMO Oc1c(C[N@H+]2CCCCC23COC3)ccc2ccccc21 ZINC001231881937 818199707 /nfs/dbraw/zinc/19/97/07/818199707.db2.gz LKQBSXDJDIHXQK-UHFFFAOYSA-N 1 1 283.371 3.300 20 10 CGCDMO Cc1nc2c(o1)CC[N@H+](Cc1ccc3ccccc3c1O)C2 ZINC001231883483 818201742 /nfs/dbraw/zinc/20/17/42/818201742.db2.gz LXENSAVIHWTEMC-UHFFFAOYSA-N 1 1 294.354 3.400 20 10 CGCDMO Cc1nc2c(o1)CC[N@@H+](Cc1ccc3ccccc3c1O)C2 ZINC001231883483 818201747 /nfs/dbraw/zinc/20/17/47/818201747.db2.gz LXENSAVIHWTEMC-UHFFFAOYSA-N 1 1 294.354 3.400 20 10 CGCDMO 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CCCOc1ccc(C[N@H+]2CCC[C@H](COC)C2)c(O)c1 ZINC000093337931 260275282 /nfs/dbraw/zinc/27/52/82/260275282.db2.gz FTXWEIMZILYLOZ-AWEZNQCLSA-N 1 1 293.407 3.039 20 10 CGCDMO Cc1cccc(C[N@@H+](Cc2cccnc2)C2CC2)c1O ZINC000290607215 263117892 /nfs/dbraw/zinc/11/78/92/263117892.db2.gz WHDRLRXLTCJJHT-UHFFFAOYSA-N 1 1 268.360 3.260 20 10 CGCDMO O[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000294176855 265001171 /nfs/dbraw/zinc/00/11/71/265001171.db2.gz WQVXEQCOVKXEMF-GOSISDBHSA-N 1 1 288.435 3.024 20 10 CGCDMO C[C@H]([NH2+]Cc1ccccc1N(C)C)c1ccc(F)cc1O ZINC000273347912 279492852 /nfs/dbraw/zinc/49/28/52/279492852.db2.gz BBGXNJALFCKFJP-LBPRGKRZSA-N 1 1 288.366 3.448 20 10 CGCDMO Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccccc2O)n1 ZINC000367541888 281246909 /nfs/dbraw/zinc/24/69/09/281246909.db2.gz LJGQBAQRKYWNPG-MRXNPFEDSA-N 1 1 297.402 3.172 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(F)cc1O ZINC000286075568 328249107 /nfs/dbraw/zinc/24/91/07/328249107.db2.gz LGDUKUIYMSEAAE-QKCSRTOESA-N 1 1 267.344 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C[C@@H](NCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000246852827 617619007 /nfs/dbraw/zinc/61/90/07/617619007.db2.gz CQJVENBNDNTXBV-HZPDHXFCSA-N 1 1 289.467 3.135 20 10 CGCDMO C[C@@H](NCC[N@H+]1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000246852827 617619008 /nfs/dbraw/zinc/61/90/08/617619008.db2.gz CQJVENBNDNTXBV-HZPDHXFCSA-N 1 1 289.467 3.135 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCCSC1)c1cc(F)cc(F)c1O ZINC000806177920 617818078 /nfs/dbraw/zinc/81/80/78/617818078.db2.gz ABEHEKYLEWRQJV-NXEZZACHSA-N 1 1 287.375 3.464 20 10 CGCDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000187575644 618098924 /nfs/dbraw/zinc/09/89/24/618098924.db2.gz HRVCZHHCSBRBMN-MAUKXSAKSA-N 1 1 288.435 3.144 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@H](C)[C@H]2CC)c1O ZINC000187576043 618110226 /nfs/dbraw/zinc/11/02/26/618110226.db2.gz TYPWITSBVAQUCT-GXTWGEPZSA-N 1 1 263.381 3.411 20 10 CGCDMO C[C@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc(F)cc1O ZINC000185028018 625290652 /nfs/dbraw/zinc/29/06/52/625290652.db2.gz QHPUBKUMMJLVFP-STQMWFEESA-N 1 1 280.387 3.056 20 10 CGCDMO Oc1ccccc1C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000179585690 618796120 /nfs/dbraw/zinc/79/61/20/618796120.db2.gz XJBQBLXURYSJLC-SFHVURJKSA-N 1 1 297.398 3.226 20 10 CGCDMO COc1ccc(N2CCC[N@H+]([C@H]3C=CCCC3)CC2)cc1 ZINC000066495484 618853907 /nfs/dbraw/zinc/85/39/07/618853907.db2.gz FAQKIBCCRSNPMA-INIZCTEOSA-N 1 1 286.419 3.316 20 10 CGCDMO CC[C@@H]([NH2+][C@@H](CC)c1ccc(F)cc1O)[C@H](O)C(C)C ZINC000840881670 618861689 /nfs/dbraw/zinc/86/16/89/618861689.db2.gz IRNWRTOKDMTRIU-SQWLQELKSA-N 1 1 283.387 3.368 20 10 CGCDMO C[C@@H]([NH2+]CCOc1cccc(F)c1)c1ccc(F)cc1O ZINC000185106286 625301973 /nfs/dbraw/zinc/30/19/73/625301973.db2.gz DWRTYUBGLDQOJU-LLVKDONJSA-N 1 1 293.313 3.400 20 10 CGCDMO Cc1ccoc1C[NH2+]Cc1cccc(Br)c1O ZINC000310120481 619070112 /nfs/dbraw/zinc/07/01/12/619070112.db2.gz HYFBEQZYQQRIDE-UHFFFAOYSA-N 1 1 296.164 3.346 20 10 CGCDMO CC(C)[N@@H+](C)C[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000312467698 619078541 /nfs/dbraw/zinc/07/85/41/619078541.db2.gz WUQUPYLZUAFQQQ-LSDHHAIUSA-N 1 1 277.456 3.132 20 10 CGCDMO CC(C)[N@H+](C)C[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000312467698 619078543 /nfs/dbraw/zinc/07/85/43/619078543.db2.gz WUQUPYLZUAFQQQ-LSDHHAIUSA-N 1 1 277.456 3.132 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H](C)N1CCC(C)CC1)c1ccc(F)cc1O ZINC000185227385 625324662 /nfs/dbraw/zinc/32/46/62/625324662.db2.gz WTJHTBXBNBEZOR-ZIAGYGMSSA-N 1 1 294.414 3.302 20 10 CGCDMO C[C@@H]1SCC[N@@H+](Cc2cc(Cl)ccc2O)[C@H]1C ZINC000093500526 619202245 /nfs/dbraw/zinc/20/22/45/619202245.db2.gz GFMYWZMJYBOLPD-UWVGGRQHSA-N 1 1 271.813 3.371 20 10 CGCDMO Cc1cc(Cl)cc([C@@H](C)NCc2cc(N)cc[nH+]2)c1O ZINC000925769227 619229699 /nfs/dbraw/zinc/22/96/99/619229699.db2.gz ZJRJDHUQVXSSJO-SNVBAGLBSA-N 1 1 291.782 3.182 20 10 CGCDMO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000228566266 619235317 /nfs/dbraw/zinc/23/53/17/619235317.db2.gz SVTUIZLGUQYUCZ-ZWNOBZJWSA-N 1 1 299.798 3.054 20 10 CGCDMO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000228566266 619235321 /nfs/dbraw/zinc/23/53/21/619235321.db2.gz SVTUIZLGUQYUCZ-ZWNOBZJWSA-N 1 1 299.798 3.054 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)cc1 ZINC000840977343 619308686 /nfs/dbraw/zinc/30/86/86/619308686.db2.gz HIFBDEGWRCVAPT-WBVHZDCISA-N 1 1 290.451 3.126 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)cc1 ZINC000840977341 619308700 /nfs/dbraw/zinc/30/87/00/619308700.db2.gz HIFBDEGWRCVAPT-RDJZCZTQSA-N 1 1 290.451 3.126 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)cc1 ZINC000840977332 619308919 /nfs/dbraw/zinc/30/89/19/619308919.db2.gz HIFBDEGWRCVAPT-DOTOQJQBSA-N 1 1 290.451 3.126 20 10 CGCDMO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1cc(Cl)ccc1O ZINC000814179810 619415333 /nfs/dbraw/zinc/41/53/33/619415333.db2.gz ZTNJSLIZQIXAHQ-ZDUSSCGKSA-N 1 1 299.798 3.065 20 10 CGCDMO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000814179810 619415336 /nfs/dbraw/zinc/41/53/36/619415336.db2.gz ZTNJSLIZQIXAHQ-ZDUSSCGKSA-N 1 1 299.798 3.065 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)Cc2ccc(O)cc2)c1O ZINC000894777505 619631813 /nfs/dbraw/zinc/63/18/13/619631813.db2.gz RENLEGHKZHAKJZ-UHFFFAOYSA-N 1 1 287.359 3.047 20 10 CGCDMO Cc1cccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)c1O ZINC000896423526 620007062 /nfs/dbraw/zinc/00/70/62/620007062.db2.gz UANPWFBEGTXOEM-ZBFHGGJFSA-N 1 1 287.334 3.262 20 10 CGCDMO Cc1cc(C[NH2+]Cc2c(O)cccc2F)c(C)s1 ZINC000896641105 620042082 /nfs/dbraw/zinc/04/20/82/620042082.db2.gz PNEUFWJEJLMGDA-UHFFFAOYSA-N 1 1 265.353 3.499 20 10 CGCDMO CCO[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000897071455 620134895 /nfs/dbraw/zinc/13/48/95/620134895.db2.gz QTQLHIKFSLINJB-SFHVURJKSA-N 1 1 288.435 3.288 20 10 CGCDMO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841743941 620344259 /nfs/dbraw/zinc/34/42/59/620344259.db2.gz DLWKSTNHGBJIAX-WDEREUQCSA-N 1 1 298.814 3.001 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1O ZINC000841755084 620398825 /nfs/dbraw/zinc/39/88/25/620398825.db2.gz NHFYAXAGDPEZHM-WDMOLILDSA-N 1 1 283.799 3.247 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1ccc(Cl)cc1O ZINC000841755290 620398957 /nfs/dbraw/zinc/39/89/57/620398957.db2.gz IXYZSNUEWRACHR-GVXVVHGQSA-N 1 1 283.799 3.247 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1c(O)cccc1F ZINC000926944583 620553252 /nfs/dbraw/zinc/55/32/52/620553252.db2.gz HULUEMUTBKLOAK-HRDYMLBCSA-N 1 1 277.261 3.380 20 10 CGCDMO Cc1ccc(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c(O)c1 ZINC000898511660 620594139 /nfs/dbraw/zinc/59/41/39/620594139.db2.gz DHTNCHJOSOFIPL-NVXWUHKLSA-N 1 1 289.419 3.339 20 10 CGCDMO CCO[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000902529280 621364026 /nfs/dbraw/zinc/36/40/26/621364026.db2.gz UMEIFHQYNFKVAW-AWEZNQCLSA-N 1 1 293.407 3.006 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H]2c2ccnn2C)c1 ZINC000905741319 622103246 /nfs/dbraw/zinc/10/32/46/622103246.db2.gz MSRROCBQARLBLG-MRXNPFEDSA-N 1 1 285.391 3.080 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)c1O ZINC000164345768 622829190 /nfs/dbraw/zinc/82/91/90/622829190.db2.gz IHTLUFLUDPHFLS-RYUDHWBXSA-N 1 1 281.421 3.035 20 10 CGCDMO CSCC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000168787724 623014632 /nfs/dbraw/zinc/01/46/32/623014632.db2.gz ZDLOECZIKKFOGE-UWVGGRQHSA-N 1 1 257.374 3.324 20 10 CGCDMO C[C@H]1Cc2ccccc2C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000172927568 623294844 /nfs/dbraw/zinc/29/48/44/623294844.db2.gz VKFSHZBJERGOJV-LBPRGKRZSA-N 1 1 297.354 3.068 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCc3ccccc3C2)c1 ZINC000154429860 624283863 /nfs/dbraw/zinc/28/38/63/624283863.db2.gz IVPKUNCZLLGYBC-UHFFFAOYSA-N 1 1 253.345 3.259 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCOC3(CCCCC3)C2)c1 ZINC000179936155 624697968 /nfs/dbraw/zinc/69/79/68/624697968.db2.gz JVFWMWMTJJVNOF-UHFFFAOYSA-N 1 1 275.392 3.236 20 10 CGCDMO Cc1cccc(C[N@@H+]2CC[C@@H](OCCC(C)C)C2)c1O ZINC000180295643 624734358 /nfs/dbraw/zinc/73/43/58/624734358.db2.gz SBGMMRJMZDCXIB-MRXNPFEDSA-N 1 1 277.408 3.338 20 10 CGCDMO CC(C)CN1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000069005261 624776345 /nfs/dbraw/zinc/77/63/45/624776345.db2.gz KUNISQUEYUYLFA-UHFFFAOYSA-N 1 1 298.430 3.319 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCc3cc(F)ccc3C2)c1 ZINC000181442998 624860856 /nfs/dbraw/zinc/86/08/56/624860856.db2.gz YZTDHXWRHUFIHS-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000075582741 625182805 /nfs/dbraw/zinc/18/28/05/625182805.db2.gz ARRGNVDPPDXZSA-OLZOCXBDSA-N 1 1 271.360 3.155 20 10 CGCDMO CCC[N@H+](Cc1ccc(N(C)C)c(C)c1)C1CCNCC1 ZINC000923327075 626146552 /nfs/dbraw/zinc/14/65/52/626146552.db2.gz MWOQCOVANWKCCH-UHFFFAOYSA-N 1 1 289.467 3.025 20 10 CGCDMO CCC[N@@H+](Cc1ccc(N(C)C)c(C)c1)C1CCNCC1 ZINC000923327075 626146562 /nfs/dbraw/zinc/14/65/62/626146562.db2.gz MWOQCOVANWKCCH-UHFFFAOYSA-N 1 1 289.467 3.025 20 10 CGCDMO C[C@H]1COC(C)(C)C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000754156557 626561683 /nfs/dbraw/zinc/56/16/83/626561683.db2.gz SJMBHQYRFVWFFW-JTQLQIEISA-N 1 1 269.772 3.045 20 10 CGCDMO C[C@H]1COC(C)(C)C[N@H+]1Cc1cc(Cl)ccc1O ZINC000754156557 626561685 /nfs/dbraw/zinc/56/16/85/626561685.db2.gz SJMBHQYRFVWFFW-JTQLQIEISA-N 1 1 269.772 3.045 20 10 CGCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](c3ccco3)C2)c1O ZINC000754725988 626585194 /nfs/dbraw/zinc/58/51/94/626585194.db2.gz IYLXHEWMRLNOSW-CYBMUJFWSA-N 1 1 287.359 3.292 20 10 CGCDMO C[C@@H]([NH2+]CCn1cnc2ccccc21)c1ccc(F)cc1O ZINC000756483874 626708820 /nfs/dbraw/zinc/70/88/20/626708820.db2.gz YKRDLGTVVJHQEM-GFCCVEGCSA-N 1 1 299.349 3.232 20 10 CGCDMO CC[C@H](C)[N@H+](C)CCN[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756529289 626712607 /nfs/dbraw/zinc/71/26/07/626712607.db2.gz RPHOHFIYZZREQD-SGMGOOAPSA-N 1 1 294.414 3.400 20 10 CGCDMO CC[C@H](C)[N@@H+](C)CCN[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756529289 626712609 /nfs/dbraw/zinc/71/26/09/626712609.db2.gz RPHOHFIYZZREQD-SGMGOOAPSA-N 1 1 294.414 3.400 20 10 CGCDMO Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000756635875 626722866 /nfs/dbraw/zinc/72/28/66/626722866.db2.gz HUQOXVXPHVRKMV-WBMJQRKESA-N 1 1 289.350 3.224 20 10 CGCDMO CCC1(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)CCC1 ZINC000756650646 626724827 /nfs/dbraw/zinc/72/48/27/626724827.db2.gz ZBWAIFLUJGAOHQ-GFCCVEGCSA-N 1 1 291.391 3.410 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC2CCC2)c1 ZINC000756744214 626729143 /nfs/dbraw/zinc/72/91/43/626729143.db2.gz ZRYBMHGHMQUJID-LLVKDONJSA-N 1 1 277.364 3.020 20 10 CGCDMO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)c2ccc(F)cc2O)C1(C)C ZINC000756790719 626732737 /nfs/dbraw/zinc/73/27/37/626732737.db2.gz OPUQDHILERUJHP-XEQNPHJVSA-N 1 1 281.371 3.241 20 10 CGCDMO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1cccc(C)c1O ZINC000758028288 626822158 /nfs/dbraw/zinc/82/21/58/626822158.db2.gz DEUDZBJFLRMAQT-UHFFFAOYSA-N 1 1 293.407 3.254 20 10 CGCDMO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1cccc(C)c1O ZINC000758028288 626822162 /nfs/dbraw/zinc/82/21/62/626822162.db2.gz DEUDZBJFLRMAQT-UHFFFAOYSA-N 1 1 293.407 3.254 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC[C@H](C)C(C)(C)C2)cc1OC ZINC000758998384 626869617 /nfs/dbraw/zinc/86/96/17/626869617.db2.gz BSOZCJGCIMMUHE-LBPRGKRZSA-N 1 1 293.407 3.277 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000768356013 627475686 /nfs/dbraw/zinc/47/56/86/627475686.db2.gz VHQQOGMZRHVXBJ-HNNXBMFYSA-N 1 1 284.359 3.133 20 10 CGCDMO COCC[N@@H+](Cc1ccc(N(C)C)c(F)c1)C1CCCC1 ZINC000768577914 627487353 /nfs/dbraw/zinc/48/73/53/627487353.db2.gz IXYLBWANGIFDNW-UHFFFAOYSA-N 1 1 294.414 3.283 20 10 CGCDMO Oc1ccc2c(c1)C[N@H+](Cc1cc(Cl)ccc1O)CC2 ZINC000768869630 627504707 /nfs/dbraw/zinc/50/47/07/627504707.db2.gz WMKVEFVQRJGCFG-UHFFFAOYSA-N 1 1 289.762 3.310 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)C2Cc3ccccc3C2)c1 ZINC000769034499 627518901 /nfs/dbraw/zinc/51/89/01/627518901.db2.gz RCIFOYAWYUXLAF-UHFFFAOYSA-N 1 1 297.398 3.390 20 10 CGCDMO CCOc1ccc(C[N@H+]2CCS[C@@H](CC)C2)c(O)c1 ZINC000769445154 627552834 /nfs/dbraw/zinc/55/28/34/627552834.db2.gz FQZCHRSLOCJTGM-AWEZNQCLSA-N 1 1 281.421 3.118 20 10 CGCDMO CC[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CCC1 ZINC000769466101 627556538 /nfs/dbraw/zinc/55/65/38/627556538.db2.gz HYUDVZQUOJFUQB-UHFFFAOYSA-N 1 1 292.398 3.037 20 10 CGCDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000769469571 627556582 /nfs/dbraw/zinc/55/65/82/627556582.db2.gz AEVNMMGIVDYEKF-YJBOKZPZSA-N 1 1 289.467 3.057 20 10 CGCDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000769469571 627556584 /nfs/dbraw/zinc/55/65/84/627556584.db2.gz AEVNMMGIVDYEKF-YJBOKZPZSA-N 1 1 289.467 3.057 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)c1 ZINC000769497239 627559811 /nfs/dbraw/zinc/55/98/11/627559811.db2.gz AXRYQFCUWIFQPO-CQSZACIVSA-N 1 1 291.391 3.007 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000769498570 627560633 /nfs/dbraw/zinc/56/06/33/627560633.db2.gz LOGNGFWWHIAROE-XJKSGUPXSA-N 1 1 293.432 3.261 20 10 CGCDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CCS1 ZINC000769547944 627564497 /nfs/dbraw/zinc/56/44/97/627564497.db2.gz FNVWRNXEPLIBMP-INIZCTEOSA-N 1 1 278.465 3.326 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)[C@@H](C)C2(C)CC2)c(O)c1 ZINC000770288557 627611919 /nfs/dbraw/zinc/61/19/19/627611919.db2.gz MWYHMRRNZNXYBK-LBPRGKRZSA-N 1 1 263.381 3.411 20 10 CGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000770285229 627612042 /nfs/dbraw/zinc/61/20/42/627612042.db2.gz FPQDERKVJJMZTA-BXUZGUMPSA-N 1 1 281.783 3.047 20 10 CGCDMO Oc1ccccc1C[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000770509516 627623982 /nfs/dbraw/zinc/62/39/82/627623982.db2.gz BYIPFGFJVHFTTF-UHFFFAOYSA-N 1 1 293.370 3.318 20 10 CGCDMO Oc1ccccc1C[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000770509516 627623985 /nfs/dbraw/zinc/62/39/85/627623985.db2.gz BYIPFGFJVHFTTF-UHFFFAOYSA-N 1 1 293.370 3.318 20 10 CGCDMO COc1ccsc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000771935176 627746277 /nfs/dbraw/zinc/74/62/77/627746277.db2.gz MSTIQPWUIIKUEP-UHFFFAOYSA-N 1 1 290.432 3.455 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2cccc(O)c2)c1 ZINC000771934979 627746530 /nfs/dbraw/zinc/74/65/30/627746530.db2.gz GGOWNWRSZLULSA-UHFFFAOYSA-N 1 1 287.359 3.129 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CCS[C@H](C)[C@@H]2C)cc1 ZINC000773750922 627910680 /nfs/dbraw/zinc/91/06/80/627910680.db2.gz FPYAWMNUXOSHGV-UONOGXRCSA-N 1 1 278.465 3.469 20 10 CGCDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000773754519 627911386 /nfs/dbraw/zinc/91/13/86/627911386.db2.gz GZUGOQZACMHUES-QGZVFWFLSA-N 1 1 290.451 3.391 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2ccc(N(C)CC)cc2)C[C@H](C)O1 ZINC000773757870 627912187 /nfs/dbraw/zinc/91/21/87/627912187.db2.gz QSYASQZRSBJPHZ-YOEHRIQHSA-N 1 1 276.424 3.142 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](C)[C@]2(CO)CC[C@H](C)C2)cc1 ZINC000773861894 627920922 /nfs/dbraw/zinc/92/09/22/627920922.db2.gz ACZJIVMTBPBYDA-MAUKXSAKSA-N 1 1 290.451 3.126 20 10 CGCDMO CCCN(Cc1[nH]nc2ccccc21)c1ccc(C[NH3+])cc1 ZINC000775136878 628067097 /nfs/dbraw/zinc/06/70/97/628067097.db2.gz NZEXJVRSSCJCJD-UHFFFAOYSA-N 1 1 294.402 3.438 20 10 CGCDMO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(C)c2O)C[C@@H](C)O1 ZINC000775661203 628121005 /nfs/dbraw/zinc/12/10/05/628121005.db2.gz KORPMWPBXGMIHP-RISCZKNCSA-N 1 1 283.799 3.353 20 10 CGCDMO CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(C)c2O)C[C@@H](C)O1 ZINC000775661203 628121007 /nfs/dbraw/zinc/12/10/07/628121007.db2.gz KORPMWPBXGMIHP-RISCZKNCSA-N 1 1 283.799 3.353 20 10 CGCDMO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cccc(C)c1O)C2 ZINC000775685559 628125299 /nfs/dbraw/zinc/12/52/99/628125299.db2.gz PMVMXIKXUIJJIC-UHFFFAOYSA-N 1 1 297.354 3.003 20 10 CGCDMO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cccc(C)c1O)C2 ZINC000775685559 628125304 /nfs/dbraw/zinc/12/53/04/628125304.db2.gz PMVMXIKXUIJJIC-UHFFFAOYSA-N 1 1 297.354 3.003 20 10 CGCDMO CCN1CC[C@@H]([N@H+](C)Cc2cccc(C)c2O)C[C@@H]1C ZINC000775716389 628128314 /nfs/dbraw/zinc/12/83/14/628128314.db2.gz VREXBFHDFLBGED-GOEBONIOSA-N 1 1 276.424 3.005 20 10 CGCDMO CCN1CC[C@@H]([N@@H+](C)Cc2cccc(C)c2O)C[C@@H]1C ZINC000775716389 628128317 /nfs/dbraw/zinc/12/83/17/628128317.db2.gz VREXBFHDFLBGED-GOEBONIOSA-N 1 1 276.424 3.005 20 10 CGCDMO CN(CC[N@@H+](C)Cc1cc(F)ccc1O)c1ccccc1 ZINC000779013909 628383535 /nfs/dbraw/zinc/38/35/35/628383535.db2.gz NMCJBFRSDRFUHH-UHFFFAOYSA-N 1 1 288.366 3.100 20 10 CGCDMO CC[C@H]1C[C@H](C[N@@H+](C)Cc2ccccc2O)CCO1 ZINC000780756082 628514636 /nfs/dbraw/zinc/51/46/36/628514636.db2.gz BHEXRVNCFNTFKZ-HIFRSBDPSA-N 1 1 263.381 3.029 20 10 CGCDMO Cc1ccc(O)c(C[N@@H+]2Cc3ccccc3OC[C@H]2C)c1 ZINC000783597226 628730413 /nfs/dbraw/zinc/73/04/13/628730413.db2.gz KQXXLUJIRLAOIH-CQSZACIVSA-N 1 1 283.371 3.484 20 10 CGCDMO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788757365 629079278 /nfs/dbraw/zinc/07/92/78/629079278.db2.gz LDNLDKZTKWTVFZ-AEJSXWLSSA-N 1 1 291.313 3.485 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2cc(C)ccc2O)nc1 ZINC000789588853 629148205 /nfs/dbraw/zinc/14/82/05/629148205.db2.gz HJUDNXDZABWMHH-UHFFFAOYSA-N 1 1 256.349 3.036 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2ccc(C)cn2)c1 ZINC000789590571 629148876 /nfs/dbraw/zinc/14/88/76/629148876.db2.gz UJFFGNNCGHNRCO-UHFFFAOYSA-N 1 1 286.375 3.126 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000790410160 629209513 /nfs/dbraw/zinc/20/95/13/629209513.db2.gz AKXFMELTNUUAKU-HNNXBMFYSA-N 1 1 277.408 3.256 20 10 CGCDMO COCC[N@@H+](Cc1c(O)ccc(Cl)c1F)CC(C)C ZINC000792162130 629342780 /nfs/dbraw/zinc/34/27/80/629342780.db2.gz FUXUNGVKBMIXBU-UHFFFAOYSA-N 1 1 289.778 3.289 20 10 CGCDMO COCC[N@H+](Cc1c(O)ccc(Cl)c1F)CC(C)C ZINC000792162130 629342784 /nfs/dbraw/zinc/34/27/84/629342784.db2.gz FUXUNGVKBMIXBU-UHFFFAOYSA-N 1 1 289.778 3.289 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000792171089 629343911 /nfs/dbraw/zinc/34/39/11/629343911.db2.gz XPVSYPILLJPDQE-ZWNOBZJWSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000792171089 629343912 /nfs/dbraw/zinc/34/39/12/629343912.db2.gz XPVSYPILLJPDQE-ZWNOBZJWSA-N 1 1 299.773 3.186 20 10 CGCDMO CCC[N@@H+](Cc1cc(C)ccc1O)[C@@H](CC)C(=O)OCC ZINC000792185259 629346657 /nfs/dbraw/zinc/34/66/57/629346657.db2.gz CVZJMOFJGQAPKO-HNNXBMFYSA-N 1 1 293.407 3.254 20 10 CGCDMO CCOc1ccc(C[N@@H+]2Cc3cccc(OC)c3C2)c(O)c1 ZINC000862528856 629390773 /nfs/dbraw/zinc/39/07/73/629390773.db2.gz DFOVCFFRILOYPG-UHFFFAOYSA-N 1 1 299.370 3.315 20 10 CGCDMO CCOc1ccc(C[N@H+]2Cc3cccc(OC)c3C2)c(O)c1 ZINC000862528856 629390783 /nfs/dbraw/zinc/39/07/83/629390783.db2.gz DFOVCFFRILOYPG-UHFFFAOYSA-N 1 1 299.370 3.315 20 10 CGCDMO CCC(O)(CC)C[N@@H+](C)Cc1ccc(N(C)C)cc1C ZINC000862540023 629396458 /nfs/dbraw/zinc/39/64/58/629396458.db2.gz XEHUYXCLXBYMHL-UHFFFAOYSA-N 1 1 278.440 3.044 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000793620061 629491180 /nfs/dbraw/zinc/49/11/80/629491180.db2.gz KHLKBZMLZMFNFV-HNNXBMFYSA-N 1 1 281.783 3.048 20 10 CGCDMO CSC[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000793798725 629502297 /nfs/dbraw/zinc/50/22/97/629502297.db2.gz YVEOKXAVNIVGFO-ZDUSSCGKSA-N 1 1 291.460 3.456 20 10 CGCDMO C[C@@]1(O)CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000794673255 629565134 /nfs/dbraw/zinc/56/51/34/629565134.db2.gz SMCBVBORCIALFV-GOSISDBHSA-N 1 1 289.419 3.008 20 10 CGCDMO CC[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(C)cc1O ZINC000794794400 629577627 /nfs/dbraw/zinc/57/76/27/629577627.db2.gz NEPCSHKXIRWASZ-OAHLLOKOSA-N 1 1 278.440 3.329 20 10 CGCDMO CC[N@H+](Cc1cccc(Br)c1[O-])CC1CC1 ZINC000125655931 634748890 /nfs/dbraw/zinc/74/88/90/634748890.db2.gz UJNTZTKHJBSSOE-UHFFFAOYSA-N 1 1 284.197 3.387 20 10 CGCDMO CCC[C@@]1([NH2+]Cc2c(O)ccc(Cl)c2F)CCOC1 ZINC000796489692 629789977 /nfs/dbraw/zinc/78/99/77/629789977.db2.gz BRXWTZLENTZFPR-CQSZACIVSA-N 1 1 287.762 3.234 20 10 CGCDMO CC[C@H]([NH2+]CCN1CCC(C)CC1)c1ccc(F)cc1O ZINC000796696908 629815972 /nfs/dbraw/zinc/81/59/72/629815972.db2.gz WHLSVSFWYLNSPY-INIZCTEOSA-N 1 1 294.414 3.304 20 10 CGCDMO CC[C@@H]([NH2+]CCCCn1ccnc1)c1ccc(F)cc1O ZINC000796701708 629816869 /nfs/dbraw/zinc/81/68/69/629816869.db2.gz ICFGXDTZPZWOKH-OAHLLOKOSA-N 1 1 291.370 3.249 20 10 CGCDMO CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc(F)cc1O ZINC000796774968 629831181 /nfs/dbraw/zinc/83/11/81/629831181.db2.gz AOTMCSXHZYKVPM-JSGCOSHPSA-N 1 1 283.387 3.369 20 10 CGCDMO CC[C@H](C[C@H](C)CO)[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000796782114 629832545 /nfs/dbraw/zinc/83/25/45/629832545.db2.gz OYHLNSAGEWTNMR-NJZAAPMLSA-N 1 1 283.387 3.369 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H](C)N(CC)CC)c1ccc(F)cc1O ZINC000796976265 629868126 /nfs/dbraw/zinc/86/81/26/629868126.db2.gz RIJHRCBJFHDFCU-IUODEOHRSA-N 1 1 282.403 3.302 20 10 CGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC000120126503 629874329 /nfs/dbraw/zinc/87/43/29/629874329.db2.gz PFUHPJPLUXLZLV-UHFFFAOYSA-N 1 1 288.435 3.288 20 10 CGCDMO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000797114081 629890290 /nfs/dbraw/zinc/89/02/90/629890290.db2.gz NYFLQIUJEPXMIG-YJBOKZPZSA-N 1 1 289.467 3.278 20 10 CGCDMO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000797114081 629890294 /nfs/dbraw/zinc/89/02/94/629890294.db2.gz NYFLQIUJEPXMIG-YJBOKZPZSA-N 1 1 289.467 3.278 20 10 CGCDMO C[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000799390735 630177143 /nfs/dbraw/zinc/17/71/43/630177143.db2.gz QUPXDVKFFJDUGO-LBPRGKRZSA-N 1 1 256.349 3.172 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@](O)(C(F)F)C2)cc1C(C)C ZINC000840114218 630598856 /nfs/dbraw/zinc/59/88/56/630598856.db2.gz HAVPPKOPKZWLRX-MRXNPFEDSA-N 1 1 299.361 3.026 20 10 CGCDMO CCOC1CC([N@@H+](C)Cc2cc3c(cc2O)CCCC3)C1 ZINC000808212638 630630590 /nfs/dbraw/zinc/63/05/90/630630590.db2.gz TYGPRAOETQLFPV-UHFFFAOYSA-N 1 1 289.419 3.270 20 10 CGCDMO CCC[N@H+](CCCN(C)C)Cc1cc(C)c(C)cc1O ZINC000809754594 630800995 /nfs/dbraw/zinc/80/09/95/630800995.db2.gz CIAXIFDOGPLGNJ-UHFFFAOYSA-N 1 1 278.440 3.173 20 10 CGCDMO CCC[N@@H+](CCCN(C)C)Cc1cc(C)c(C)cc1O ZINC000809754594 630800999 /nfs/dbraw/zinc/80/09/99/630800999.db2.gz CIAXIFDOGPLGNJ-UHFFFAOYSA-N 1 1 278.440 3.173 20 10 CGCDMO CC[N@@H+](Cc1oc(C)nc1C)Cc1ccc(N(C)C)cc1 ZINC000809934238 630816822 /nfs/dbraw/zinc/81/68/22/630816822.db2.gz NAIWGEIZRFWVFD-UHFFFAOYSA-N 1 1 287.407 3.380 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)CCC1(F)F ZINC000811778605 631119489 /nfs/dbraw/zinc/11/94/89/631119489.db2.gz CKCMUZLBTYKNJD-LLVKDONJSA-N 1 1 281.346 3.358 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](CC)C[C@H](C)OC)cc1 ZINC000812808185 631317049 /nfs/dbraw/zinc/31/70/49/631317049.db2.gz ATMUECLRMSYORI-HNNXBMFYSA-N 1 1 278.440 3.390 20 10 CGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](C)CN(C)C)c1O ZINC000813877372 631475309 /nfs/dbraw/zinc/47/53/09/631475309.db2.gz UDHCNTHSPFGRTH-JQWIXIFHSA-N 1 1 284.831 3.202 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)ccc1N(C)C ZINC000815061477 631708956 /nfs/dbraw/zinc/70/89/56/631708956.db2.gz WGGOFJMIYWINJS-AEFFLSMTSA-N 1 1 288.435 3.062 20 10 CGCDMO CCC[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000815076774 631712976 /nfs/dbraw/zinc/71/29/76/631712976.db2.gz MDBLVMZZMFXZKE-INIZCTEOSA-N 1 1 276.424 3.062 20 10 CGCDMO Cc1cc(C[N@H+](CC2CCC2)[C@H](C)CO)ccc1N(C)C ZINC000815106572 631718712 /nfs/dbraw/zinc/71/87/12/631718712.db2.gz WFFODPIUZFUHKZ-OAHLLOKOSA-N 1 1 290.451 3.044 20 10 CGCDMO CCc1noc(C)c1C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000815640638 631810811 /nfs/dbraw/zinc/81/08/11/631810811.db2.gz CIDRVHVRRRUEHX-MRVPVSSYSA-N 1 1 296.317 3.380 20 10 CGCDMO C[C@H]1C[C@@H]([NH2+]CC(C)(F)F)c2c1c(F)ccc2O ZINC000815644505 631811865 /nfs/dbraw/zinc/81/18/65/631811865.db2.gz DASYIDSWYQNQIH-IONNQARKSA-N 1 1 259.271 3.324 20 10 CGCDMO CCN(CC)[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816484021 631990211 /nfs/dbraw/zinc/99/02/11/631990211.db2.gz NFMFEVYJSIVDKY-QGZVFWFLSA-N 1 1 298.430 3.462 20 10 CGCDMO CCN(CC)[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816484021 631990217 /nfs/dbraw/zinc/99/02/17/631990217.db2.gz NFMFEVYJSIVDKY-QGZVFWFLSA-N 1 1 298.430 3.462 20 10 CGCDMO CCc1nocc1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000816484955 631990324 /nfs/dbraw/zinc/99/03/24/631990324.db2.gz UPRDNMVELAOLFC-UHFFFAOYSA-N 1 1 299.418 3.468 20 10 CGCDMO C[C@@H]1CSCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816512127 631998421 /nfs/dbraw/zinc/99/84/21/631998421.db2.gz XWMDFTBRFPVVOZ-MRVPVSSYSA-N 1 1 275.776 3.122 20 10 CGCDMO CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])CC1CC1 ZINC000816510186 631998642 /nfs/dbraw/zinc/99/86/42/631998642.db2.gz OTLMWXGDQWZWKI-UHFFFAOYSA-N 1 1 257.736 3.417 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCCS1 ZINC000816556337 632011408 /nfs/dbraw/zinc/01/14/08/632011408.db2.gz GKPDLLCTYKDZFO-SECBINFHSA-N 1 1 275.776 3.170 20 10 CGCDMO CO[C@H]1CCC[C@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816560733 632013046 /nfs/dbraw/zinc/01/30/46/632013046.db2.gz YOFLCCSNBRTGLP-XPTSAGLGSA-N 1 1 287.762 3.089 20 10 CGCDMO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816564364 632013160 /nfs/dbraw/zinc/01/31/60/632013160.db2.gz COEVEDSMEQGISL-DZGCQCFKSA-N 1 1 285.387 3.138 20 10 CGCDMO C[NH+]1CCC(C)(C[NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816566050 632014554 /nfs/dbraw/zinc/01/45/54/632014554.db2.gz KCKDLAFVIUHBPN-UHFFFAOYSA-N 1 1 298.430 3.367 20 10 CGCDMO C[C@]1(O)CCC[N@@H+](Cc2ccc3ccccc3c2O)CC1 ZINC000816594673 632019274 /nfs/dbraw/zinc/01/92/74/632019274.db2.gz LXRSYSQUKOYAGT-SFHVURJKSA-N 1 1 285.387 3.282 20 10 CGCDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000817414661 632144978 /nfs/dbraw/zinc/14/49/78/632144978.db2.gz NNOZJFURXJKJFM-RDTXWAMCSA-N 1 1 297.398 3.404 20 10 CGCDMO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCc1ccc2c(c1)CCO2 ZINC000817902583 632232808 /nfs/dbraw/zinc/23/28/08/632232808.db2.gz UNHGCQGAFKBHOA-WMLDXEAASA-N 1 1 288.435 3.022 20 10 CGCDMO Cc1cccc([C@@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000817939109 632238702 /nfs/dbraw/zinc/23/87/02/632238702.db2.gz ZCUFEGBJNYZGJY-DNVCBOLYSA-N 1 1 297.446 3.412 20 10 CGCDMO CC[C@H]([NH2+]CCC[NH2+]C(C)C)c1cc(Cl)ccc1[O-] ZINC000817953796 632248948 /nfs/dbraw/zinc/24/89/48/632248948.db2.gz RKCDXMQACCRHAQ-AWEZNQCLSA-N 1 1 284.831 3.474 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc2ccccc2c1[O-] ZINC000817968248 632261946 /nfs/dbraw/zinc/26/19/46/632261946.db2.gz IFJYATBBZBZQRS-HIFRSBDPSA-N 1 1 284.403 3.338 20 10 CGCDMO C[C@@H](N)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000817972692 632266768 /nfs/dbraw/zinc/26/67/68/632266768.db2.gz NUAMXZCJKIAEAL-PBHICJAKSA-N 1 1 284.403 3.003 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc2ccccc2c1[O-] ZINC000817977234 632268685 /nfs/dbraw/zinc/26/86/85/632268685.db2.gz FICUFZMBSDZUML-QWHCGFSZSA-N 1 1 272.392 3.323 20 10 CGCDMO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(N(C)C)cc1 ZINC000818614539 632341693 /nfs/dbraw/zinc/34/16/93/632341693.db2.gz BWCKFDNQEZIGJG-IXDOHACOSA-N 1 1 275.440 3.063 20 10 CGCDMO CC[C@H](N[C@@H]1CCCC[C@H]1[NH3+])c1ccc(N(C)C)cc1 ZINC000818614539 632341698 /nfs/dbraw/zinc/34/16/98/632341698.db2.gz BWCKFDNQEZIGJG-IXDOHACOSA-N 1 1 275.440 3.063 20 10 CGCDMO CCCC[N@@H+](Cc1snnc1C)Cc1ccccc1O ZINC000844323103 635869496 /nfs/dbraw/zinc/86/94/96/635869496.db2.gz KZWSFVWWUZNRNH-UHFFFAOYSA-N 1 1 291.420 3.354 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC23CC3)c1 ZINC000866411125 633127033 /nfs/dbraw/zinc/12/70/33/633127033.db2.gz CWOCLKKBKVRYKG-XHDPSFHLSA-N 1 1 289.375 3.162 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C[C@H]2CCOC2)C2CC2)cc1Cl ZINC000824555526 633259785 /nfs/dbraw/zinc/25/97/85/633259785.db2.gz HAWKAFRIERCAJQ-GFCCVEGCSA-N 1 1 295.810 3.355 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C[C@@H]1C ZINC000824815671 633293796 /nfs/dbraw/zinc/29/37/96/633293796.db2.gz WJYJLYFVBPQLQS-UGSOOPFHSA-N 1 1 285.387 3.402 20 10 CGCDMO C[N@@H+](Cc1ccc(Br)cc1O)C1CCC1 ZINC000824823313 633297610 /nfs/dbraw/zinc/29/76/10/633297610.db2.gz AGECBSGMMZQKIC-UHFFFAOYSA-N 1 1 270.170 3.139 20 10 CGCDMO C[C@H]1CCC[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2O)O1 ZINC000827252118 633476417 /nfs/dbraw/zinc/47/64/17/633476417.db2.gz XDSREUHMVYGNAD-GXSJLCMTSA-N 1 1 287.762 3.232 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@H](C)O1 ZINC000827371707 633485755 /nfs/dbraw/zinc/48/57/55/633485755.db2.gz YOLZFUXPQZHFCL-ZJUUUORDSA-N 1 1 287.762 3.184 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@H](C)O1 ZINC000827371707 633485756 /nfs/dbraw/zinc/48/57/56/633485756.db2.gz YOLZFUXPQZHFCL-ZJUUUORDSA-N 1 1 287.762 3.184 20 10 CGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CC1SCCS1 ZINC000827614936 633503957 /nfs/dbraw/zinc/50/39/57/633503957.db2.gz YDTILNHMGDKNLX-UHFFFAOYSA-N 1 1 293.816 3.080 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H]3CSC[C@H]3C2)c1 ZINC000872723347 634196087 /nfs/dbraw/zinc/19/60/87/634196087.db2.gz XQNIPBNWRKJQGE-DZGCQCFKSA-N 1 1 277.433 3.194 20 10 CGCDMO CCCOc1ccc(C[NH2+]C[C@@H]2CCCN(C)C2)cc1C ZINC000873048364 634237787 /nfs/dbraw/zinc/23/77/87/634237787.db2.gz YOBLCSZYFBVZDC-KRWDZBQOSA-N 1 1 290.451 3.215 20 10 CGCDMO CCCOc1ccc(CNC[C@@H]2CCC[N@H+](C)C2)cc1C ZINC000873048364 634237793 /nfs/dbraw/zinc/23/77/93/634237793.db2.gz YOBLCSZYFBVZDC-KRWDZBQOSA-N 1 1 290.451 3.215 20 10 CGCDMO CCCOc1ccc(CNC[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000873048364 634237795 /nfs/dbraw/zinc/23/77/95/634237795.db2.gz YOBLCSZYFBVZDC-KRWDZBQOSA-N 1 1 290.451 3.215 20 10 CGCDMO CCCOc1ccc(C[NH2+][C@H](C)c2ccn(C)n2)cc1C ZINC000873130545 634252734 /nfs/dbraw/zinc/25/27/34/634252734.db2.gz HNEKKOAXPBDEAS-CQSZACIVSA-N 1 1 287.407 3.368 20 10 CGCDMO C[C@H]([NH2+]CC(C)(C)C(C)(C)O)c1cc(F)cc(F)c1O ZINC000834905115 634281399 /nfs/dbraw/zinc/28/13/99/634281399.db2.gz SSFSSJSBSXSXNB-VIFPVBQESA-N 1 1 287.350 3.118 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)Cc2ccc[nH]2)cc1 ZINC000835027642 634326367 /nfs/dbraw/zinc/32/63/67/634326367.db2.gz FRRXZBQBRLBHLK-WAYWQWQTSA-N 1 1 269.392 3.226 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)CCc2ccncc2)cc1 ZINC000835048778 634335464 /nfs/dbraw/zinc/33/54/64/634335464.db2.gz YOBQCASKTYWNLB-PLNGDYQASA-N 1 1 295.430 3.335 20 10 CGCDMO Cc1cccc(O)c1C[N@H+](Cc1ccccc1)C[C@@H](C)O ZINC000876618762 634868644 /nfs/dbraw/zinc/86/86/44/634868644.db2.gz FDGGCGKTFPKSFJ-OAHLLOKOSA-N 1 1 285.387 3.084 20 10 CGCDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(C)cc2O)on1 ZINC000876617766 634868899 /nfs/dbraw/zinc/86/88/99/634868899.db2.gz UWFZKBSMJXXGEU-AWEZNQCLSA-N 1 1 272.348 3.334 20 10 CGCDMO CCC[N@@H+](Cc1cnc(OC)s1)Cc1ccccc1O ZINC000876654705 634875483 /nfs/dbraw/zinc/87/54/83/634875483.db2.gz MLPVFEMBHSKMNS-UHFFFAOYSA-N 1 1 292.404 3.270 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCCC[C@@H]1c1ncc[nH]1 ZINC000876656238 634875596 /nfs/dbraw/zinc/87/55/96/634875596.db2.gz IQOSFNPNHREACT-CQSZACIVSA-N 1 1 271.364 3.151 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000102766516 634882202 /nfs/dbraw/zinc/88/22/02/634882202.db2.gz JTOJUGIFVJPNQI-HNNXBMFYSA-N 1 1 277.408 3.435 20 10 CGCDMO CC[N@@H+](Cc1ccccn1)Cc1c(C)cccc1O ZINC000876725303 634886918 /nfs/dbraw/zinc/88/69/18/634886918.db2.gz ILWCDYKWUBDFQJ-UHFFFAOYSA-N 1 1 256.349 3.118 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@@H](c3ccco3)C2)c(O)c1 ZINC000876723963 634886939 /nfs/dbraw/zinc/88/69/39/634886939.db2.gz JQULGGPPNXZAIH-CQSZACIVSA-N 1 1 257.333 3.283 20 10 CGCDMO Cc1ccc(CN(C)CC[C@H]2CCCC[N@@H+]2C)c(O)c1 ZINC000876766899 634895492 /nfs/dbraw/zinc/89/54/92/634895492.db2.gz VRIKDKILUWAJSS-MRXNPFEDSA-N 1 1 276.424 3.007 20 10 CGCDMO Cc1ccc(CN(C)CC[C@H]2CCCC[N@H+]2C)c(O)c1 ZINC000876766899 634895495 /nfs/dbraw/zinc/89/54/95/634895495.db2.gz VRIKDKILUWAJSS-MRXNPFEDSA-N 1 1 276.424 3.007 20 10 CGCDMO Cc1cccc(O)c1C[N@H+](C)Cc1cc(Cl)cn1C ZINC000876806414 634901886 /nfs/dbraw/zinc/90/18/86/634901886.db2.gz NRJYNSRLGQMQCQ-UHFFFAOYSA-N 1 1 278.783 3.325 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000877399151 635034479 /nfs/dbraw/zinc/03/44/79/635034479.db2.gz KXVCSAFBRAQMKQ-IBGZPJMESA-N 1 1 295.382 3.332 20 10 CGCDMO C[C@@H]([NH2+]CC(C)(C)OCC1CC1)c1ccc(F)cc1O ZINC000840876855 635071486 /nfs/dbraw/zinc/07/14/86/635071486.db2.gz PMXDOLVCIYUHOD-LLVKDONJSA-N 1 1 281.371 3.387 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCc2ccc(O)cc2C1 ZINC000840911313 635081431 /nfs/dbraw/zinc/08/14/31/635081431.db2.gz VLTHCHHBHPCDQA-UHFFFAOYSA-N 1 1 296.414 3.325 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000840919467 635082338 /nfs/dbraw/zinc/08/23/38/635082338.db2.gz GTMLNJBELJOWEI-SJLPKXTDSA-N 1 1 288.435 3.062 20 10 CGCDMO Cc1cc(O)c(C[N@@H+](C)CC2CCOCC2)c(Cl)c1 ZINC000840917263 635082714 /nfs/dbraw/zinc/08/27/14/635082714.db2.gz JNLDABWWOSHGGS-UHFFFAOYSA-N 1 1 283.799 3.212 20 10 CGCDMO CC[N@@H+](Cc1ccccn1)Cc1ccc(N(C)C)cc1C ZINC000840917229 635082976 /nfs/dbraw/zinc/08/29/76/635082976.db2.gz HQZGDEMIMKJAOM-UHFFFAOYSA-N 1 1 283.419 3.478 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCSC[C@H](C)C1 ZINC000840941758 635088280 /nfs/dbraw/zinc/08/82/80/635088280.db2.gz KQHVUQCDWGBLPY-CYBMUJFWSA-N 1 1 278.465 3.246 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000840943042 635088554 /nfs/dbraw/zinc/08/85/54/635088554.db2.gz GPBFDUWYPXYKJD-SFHVURJKSA-N 1 1 288.435 3.064 20 10 CGCDMO CCc1ncc(C[NH2+]Cc2c(O)cc(C)cc2Cl)o1 ZINC000840951284 635090341 /nfs/dbraw/zinc/09/03/41/635090341.db2.gz VBPANYICXWKQNY-UHFFFAOYSA-N 1 1 280.755 3.194 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@]1(C)CCCO ZINC000840949103 635091312 /nfs/dbraw/zinc/09/13/12/635091312.db2.gz QMZRETOXLSPVIO-SFHVURJKSA-N 1 1 290.451 3.188 20 10 CGCDMO c1cc(N2CCCCC2)ccc1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000841031165 635109485 /nfs/dbraw/zinc/10/94/85/635109485.db2.gz UOMDXLXJXIAXNL-JWTNVVGKSA-N 1 1 299.462 3.050 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000877615243 635113869 /nfs/dbraw/zinc/11/38/69/635113869.db2.gz SKJHXRITVKFCNZ-CQSZACIVSA-N 1 1 267.319 3.322 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)cc1F ZINC000877737511 635171235 /nfs/dbraw/zinc/17/12/35/635171235.db2.gz GSRIGGIGHLJAPT-KGLIPLIRSA-N 1 1 294.439 3.077 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877740738 635175399 /nfs/dbraw/zinc/17/53/99/635175399.db2.gz TUXNPMZQXBOZBR-QWRGUYRKSA-N 1 1 283.824 3.231 20 10 CGCDMO C[C@@H](CCO)CC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841755565 635229836 /nfs/dbraw/zinc/22/98/36/635229836.db2.gz JHRAPQRTCKCWRW-MNOVXSKESA-N 1 1 271.788 3.105 20 10 CGCDMO COCCCC[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000841894080 635249205 /nfs/dbraw/zinc/24/92/05/635249205.db2.gz MQEMTUFVBMNTFW-FPLPWBNLSA-N 1 1 276.424 3.124 20 10 CGCDMO Oc1cc2c(cc1C[N@H+]1CCCC[C@H]1C1CCC1)OCO2 ZINC000843437874 635676607 /nfs/dbraw/zinc/67/66/07/635676607.db2.gz YOUKPYMNQCVFQC-AWEZNQCLSA-N 1 1 289.375 3.276 20 10 CGCDMO Cc1cc(C[N@H+](C)[C@H](C)CCO)ccc1N1CCCCC1 ZINC000844450740 635906593 /nfs/dbraw/zinc/90/65/93/635906593.db2.gz PYGTYDUXCURNAG-MRXNPFEDSA-N 1 1 290.451 3.188 20 10 CGCDMO Cc1cc(C[NH2+]C2(c3ncccn3)CCC2)ccc1N(C)C ZINC000880368219 635982682 /nfs/dbraw/zinc/98/26/82/635982682.db2.gz SNFMJSYLEARJRN-UHFFFAOYSA-N 1 1 296.418 3.020 20 10 CGCDMO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cc(C)ccc1O ZINC000846117871 636146830 /nfs/dbraw/zinc/14/68/30/636146830.db2.gz HPKSVACULBJEAH-CQSZACIVSA-N 1 1 293.407 3.253 20 10 CGCDMO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(C)ccc1O ZINC000846117871 636146832 /nfs/dbraw/zinc/14/68/32/636146832.db2.gz HPKSVACULBJEAH-CQSZACIVSA-N 1 1 293.407 3.253 20 10 CGCDMO COc1cccc([C@H](C)[NH2+][C@@H]2CCCC2(F)F)c1O ZINC000846172669 636154163 /nfs/dbraw/zinc/15/41/63/636154163.db2.gz OEQHPHXVNKAJPO-JOYOIKCWSA-N 1 1 271.307 3.239 20 10 CGCDMO CC[C@H](CC(F)(F)F)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883087876 636537262 /nfs/dbraw/zinc/53/72/62/636537262.db2.gz LITYPIODMVYZAJ-SECBINFHSA-N 1 1 283.240 3.491 20 10 CGCDMO C[C@]1(CC[NH2+]Cc2cc(F)cc(F)c2O)C[C@]1(F)Cl ZINC000883158086 636559185 /nfs/dbraw/zinc/55/91/85/636559185.db2.gz UIBPKJCZBBWAQC-QWHCGFSZSA-N 1 1 293.716 3.465 20 10 CGCDMO COCc1csc(C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000883175136 636567304 /nfs/dbraw/zinc/56/73/04/636567304.db2.gz ZRYVMSGNOGKONW-UHFFFAOYSA-N 1 1 299.342 3.168 20 10 CGCDMO Cc1cnc(CC[NH2+][C@H](C)c2ccc(F)cc2O)c(C)c1 ZINC000848560024 636605822 /nfs/dbraw/zinc/60/58/22/636605822.db2.gz JEMVZKVDVWPEHH-CYBMUJFWSA-N 1 1 288.366 3.436 20 10 CGCDMO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000131401733 636651295 /nfs/dbraw/zinc/65/12/95/636651295.db2.gz FNZRYNYWGAKYBO-UHFFFAOYSA-N 1 1 291.370 3.129 20 10 CGCDMO Cc1noc(C)c1C[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000131401733 636651303 /nfs/dbraw/zinc/65/13/03/636651303.db2.gz FNZRYNYWGAKYBO-UHFFFAOYSA-N 1 1 291.370 3.129 20 10 CGCDMO CCc1cccc(C[N@H+]2CCn3cccc3[C@@H]2C)c1O ZINC000848877492 636669318 /nfs/dbraw/zinc/66/93/18/636669318.db2.gz SFFLTPNAFLZCKG-ZDUSSCGKSA-N 1 1 270.376 3.333 20 10 CGCDMO CCc1cccc(C[N@H+]2CCSCC[C@H]2C)c1O ZINC000848906412 636683477 /nfs/dbraw/zinc/68/34/77/636683477.db2.gz UWXUXFCOKVNIPL-GFCCVEGCSA-N 1 1 265.422 3.282 20 10 CGCDMO CCc1cccc(C[N@@H+]2CC[C@@H](N3CCCC3)[C@H]2C)c1O ZINC000848910518 636686713 /nfs/dbraw/zinc/68/67/13/636686713.db2.gz KYZKSISQDYKBEI-RHSMWYFYSA-N 1 1 288.435 3.013 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@@H](N3CCCC3)[C@H]2C)c1O ZINC000848910518 636686715 /nfs/dbraw/zinc/68/67/15/636686715.db2.gz KYZKSISQDYKBEI-RHSMWYFYSA-N 1 1 288.435 3.013 20 10 CGCDMO COc1cccc(C[N@@H+](C)[C@H]2CCC[C@H](C)C2)c1O ZINC000132745541 636834268 /nfs/dbraw/zinc/83/42/68/636834268.db2.gz GQIMMXLXVFUHAN-JSGCOSHPSA-N 1 1 263.381 3.411 20 10 CGCDMO CC[C@@H](C)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000134748410 637036726 /nfs/dbraw/zinc/03/67/26/637036726.db2.gz UETFEIKPRPCNNS-SECBINFHSA-N 1 1 272.186 3.351 20 10 CGCDMO CCOc1ccc(NCc2ccccc2O)[nH+]c1C ZINC000850411154 637052943 /nfs/dbraw/zinc/05/29/43/637052943.db2.gz PCUOZFMORUXNPR-UHFFFAOYSA-N 1 1 258.321 3.106 20 10 CGCDMO CC[C@@H]([NH2+]Cc1ncccn1)c1cc(Cl)ccc1O ZINC000850553056 637118784 /nfs/dbraw/zinc/11/87/84/637118784.db2.gz SQSUIDUEYBEJQM-GFCCVEGCSA-N 1 1 277.755 3.077 20 10 CGCDMO CCC[N@@H+](Cc1cccc(F)n1)Cc1ccccc1O ZINC000851791514 637503602 /nfs/dbraw/zinc/50/36/02/637503602.db2.gz CYFLNPQFLRNITM-UHFFFAOYSA-N 1 1 274.339 3.339 20 10 CGCDMO COc1cccc(C[NH2+][C@@H](C)c2c(O)cccc2F)c1 ZINC000886491794 637540588 /nfs/dbraw/zinc/54/05/88/637540588.db2.gz RZZGSWAZVYFZQN-NSHDSACASA-N 1 1 275.323 3.391 20 10 CGCDMO C[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1c(O)cccc1F ZINC000886516802 637548979 /nfs/dbraw/zinc/54/89/79/637548979.db2.gz YUABHCHQDLUCDE-DTWKUNHWSA-N 1 1 295.276 3.149 20 10 CGCDMO CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2c([O-])cccc2F)C1 ZINC000886522023 637550490 /nfs/dbraw/zinc/55/04/90/637550490.db2.gz AMSJGLUYZCADRC-KBPBESRZSA-N 1 1 294.414 3.302 20 10 CGCDMO C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1c(O)cccc1F ZINC000886528328 637554266 /nfs/dbraw/zinc/55/42/66/637554266.db2.gz KHUHJFPZHSUKOE-SJCJKPOMSA-N 1 1 289.350 3.090 20 10 CGCDMO CSC(C)(C)C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886535043 637560811 /nfs/dbraw/zinc/56/08/11/637560811.db2.gz TYZZWQVTGPWIEJ-SECBINFHSA-N 1 1 257.374 3.324 20 10 CGCDMO C[C@@H]([NH2+]CCC(F)(F)F)c1c(O)cccc1F ZINC000886536200 637561555 /nfs/dbraw/zinc/56/15/55/637561555.db2.gz CPJAVTGPAMKNTM-SSDOTTSWSA-N 1 1 251.223 3.134 20 10 CGCDMO C[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1c(O)cccc1F ZINC000886548139 637573485 /nfs/dbraw/zinc/57/34/85/637573485.db2.gz XWKSKYNKICCJJX-HZMBPMFUSA-N 1 1 293.313 3.055 20 10 CGCDMO C[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1c(O)cccc1F ZINC000886587581 637593792 /nfs/dbraw/zinc/59/37/92/637593792.db2.gz BGILCXFVTHGFEY-NEPJUHHUSA-N 1 1 267.344 3.141 20 10 CGCDMO CCC(O)(CC)CC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886599373 637597768 /nfs/dbraw/zinc/59/77/68/637597768.db2.gz XNDBWLQFEBVFDK-LLVKDONJSA-N 1 1 269.360 3.123 20 10 CGCDMO CO[C@@H](CC[NH2+][C@@H](C)c1c(O)cccc1F)C(F)(F)F ZINC000886596984 637598944 /nfs/dbraw/zinc/59/89/44/637598944.db2.gz STEAKZBNJVAYHV-KWQFWETISA-N 1 1 295.276 3.149 20 10 CGCDMO CCOC1CC(CC[NH2+][C@@H](C)c2c(O)cccc2F)C1 ZINC000886599011 637599145 /nfs/dbraw/zinc/59/91/45/637599145.db2.gz PDQAICROBDABON-HIFPTAJRSA-N 1 1 281.371 3.387 20 10 CGCDMO Cc1cccc(CC[NH2+][C@H](C)c2c(O)cccc2F)n1 ZINC000886603458 637599898 /nfs/dbraw/zinc/59/98/98/637599898.db2.gz ORFCFWLPFPCHGH-GFCCVEGCSA-N 1 1 274.339 3.128 20 10 CGCDMO CCC(C)(C)OCC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886623513 637614654 /nfs/dbraw/zinc/61/46/54/637614654.db2.gz FWBQMNCGUKLTDO-LLVKDONJSA-N 1 1 269.360 3.387 20 10 CGCDMO C[C@H]([NH2+]CCCc1ccco1)c1c(O)cccc1F ZINC000886640123 637624639 /nfs/dbraw/zinc/62/46/39/637624639.db2.gz SCOHZHURUBBKIB-NSHDSACASA-N 1 1 263.312 3.408 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](CCF)C2)cc1 ZINC000852533373 637674347 /nfs/dbraw/zinc/67/43/47/637674347.db2.gz UAFXFTHBTVBSTL-AWEZNQCLSA-N 1 1 264.388 3.324 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1cc(F)ccc1F ZINC000111235192 637804256 /nfs/dbraw/zinc/80/42/56/637804256.db2.gz UBAKUUJGIJMXAU-UHFFFAOYSA-N 1 1 263.287 3.302 20 10 CGCDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000300421808 637838553 /nfs/dbraw/zinc/83/85/53/637838553.db2.gz IZJJGFALCQGCCC-WOPDTQHZSA-N 1 1 251.345 3.398 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@@](C)(C3CC3)C2)cc1C ZINC000853527835 637862223 /nfs/dbraw/zinc/86/22/23/637862223.db2.gz GJCPUUVTBZZNDU-QGZVFWFLSA-N 1 1 275.392 3.010 20 10 CGCDMO COc1ccc(N2CC[C@@H](Nc3cccc(C)[nH+]3)C2)cc1 ZINC000853758608 637911583 /nfs/dbraw/zinc/91/15/83/637911583.db2.gz IFXKSMLWAAVPGI-CQSZACIVSA-N 1 1 283.375 3.089 20 10 CGCDMO CC[C@@H]([NH2+]CCC(C)(C)[NH3+])c1cc(Cl)ccc1[O-] ZINC000925739305 638592112 /nfs/dbraw/zinc/59/21/12/638592112.db2.gz VENVNIYDMGGOCF-GFCCVEGCSA-N 1 1 270.804 3.214 20 10 CGCDMO Cc1ccc([C@@H](C)[N@H+]2CCOc3ccc(N)cc3C2)c(O)c1 ZINC000925755144 638598360 /nfs/dbraw/zinc/59/83/60/638598360.db2.gz SJLYRRXAWLFNPX-CYBMUJFWSA-N 1 1 298.386 3.238 20 10 CGCDMO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(C)ccc3O)C2)nc1 ZINC000858011416 638618211 /nfs/dbraw/zinc/61/82/11/638618211.db2.gz NQJVMGUYSQLBQK-MRXNPFEDSA-N 1 1 298.386 3.057 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1cc(Cl)c(Cl)cc1O ZINC000858543599 638758602 /nfs/dbraw/zinc/75/86/02/638758602.db2.gz MOWSWLYRDQRNCW-XHNCKOQMSA-N 1 1 290.190 3.121 20 10 CGCDMO C[C@@H]([NH2+]C[C@]1(C)CCCCO1)c1c(O)cccc1F ZINC000927014539 638831633 /nfs/dbraw/zinc/83/16/33/638831633.db2.gz OHZGGUBSVMDVLX-ABAIWWIYSA-N 1 1 267.344 3.141 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1c(O)cccc1F ZINC000927028288 638833734 /nfs/dbraw/zinc/83/37/34/638833734.db2.gz MCJLBFIEVQBEHB-OUAUKWLOSA-N 1 1 269.385 3.466 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)Cc1cc(C)nnc1C ZINC000929752680 638947231 /nfs/dbraw/zinc/94/72/31/638947231.db2.gz DBAKMKYFODSOAG-UHFFFAOYSA-N 1 1 285.391 3.211 20 10 CGCDMO C[C@@H]([NH2+]C[C@H](C)N1CCC[C@@H](C)C1)c1ccc(F)cc1O ZINC000248517220 640765636 /nfs/dbraw/zinc/76/56/36/640765636.db2.gz PFVBSZQSNRYSFM-HZSPNIEDSA-N 1 1 294.414 3.302 20 10 CGCDMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1cc(Cl)ccc1O ZINC000093660026 640778911 /nfs/dbraw/zinc/77/89/11/640778911.db2.gz VKZHZKHJRNAEMN-OAHLLOKOSA-N 1 1 296.842 3.352 20 10 CGCDMO C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cc(F)ccc1[O-] ZINC000094616926 640798820 /nfs/dbraw/zinc/79/88/20/640798820.db2.gz UDHYELWSCKBPQJ-LLVKDONJSA-N 1 1 294.414 3.491 20 10 CGCDMO Cc1cccc(CNc2nc(N3CCCCC3)cc[nH+]2)c1O ZINC001160769198 806300996 /nfs/dbraw/zinc/30/09/96/806300996.db2.gz AWHYPFXFUKTIFS-UHFFFAOYSA-N 1 1 298.390 3.093 20 10 CGCDMO CCCC[N@H+](CC)Cc1cc(F)cc(C(C)=O)c1O ZINC000037322416 798866806 /nfs/dbraw/zinc/86/68/06/798866806.db2.gz BSJACXUEQFNNQV-UHFFFAOYSA-N 1 1 267.344 3.356 20 10 CGCDMO CCCC[N@@H+](CC)Cc1cc(F)cc(C(C)=O)c1O ZINC000037322416 798866810 /nfs/dbraw/zinc/86/68/10/798866810.db2.gz BSJACXUEQFNNQV-UHFFFAOYSA-N 1 1 267.344 3.356 20 10 CGCDMO CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C1CC1 ZINC000037322938 798866867 /nfs/dbraw/zinc/86/68/67/798866867.db2.gz NFMSEGYEUKUOPT-UHFFFAOYSA-N 1 1 267.756 3.233 20 10 CGCDMO CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C1CC1 ZINC000037322938 798866871 /nfs/dbraw/zinc/86/68/71/798866871.db2.gz NFMSEGYEUKUOPT-UHFFFAOYSA-N 1 1 267.756 3.233 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1C(C)C ZINC000045723096 798891687 /nfs/dbraw/zinc/89/16/87/798891687.db2.gz IOTYHAKAFMYRJL-UONOGXRCSA-N 1 1 277.408 3.433 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1ccccc1-n1cccn1 ZINC000091956476 798956213 /nfs/dbraw/zinc/95/62/13/798956213.db2.gz YLYGMHPESSHZER-UHFFFAOYSA-N 1 1 293.370 3.210 20 10 CGCDMO CC[N@@H+](Cc1ccc[nH]1)Cc1ccc(N(C)C)cc1 ZINC000191059427 799125148 /nfs/dbraw/zinc/12/51/48/799125148.db2.gz MVTBLSBPNIDMPR-UHFFFAOYSA-N 1 1 257.381 3.103 20 10 CGCDMO Cc1cc(C[NH2+]Cc2ccn(C)n2)c(C)n1-c1ccccc1 ZINC000316927219 799243169 /nfs/dbraw/zinc/24/31/69/799243169.db2.gz MVOSJYILZXOGAO-UHFFFAOYSA-N 1 1 294.402 3.117 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@@H](CCF)C2)c1O ZINC000689879678 799770313 /nfs/dbraw/zinc/77/03/13/799770313.db2.gz AQVYXPSLAGJJHR-ZDUSSCGKSA-N 1 1 251.345 3.272 20 10 CGCDMO CC[C@@H](C)[N@@H+](C)Cc1c(O)cccc1Br ZINC000707129668 799973924 /nfs/dbraw/zinc/97/39/24/799973924.db2.gz OWLKDVJUVOCFOL-SECBINFHSA-N 1 1 272.186 3.385 20 10 CGCDMO C[C@@H]1CCCCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708421405 799988638 /nfs/dbraw/zinc/98/86/38/799988638.db2.gz FJMUMXBLRFWGJW-SNVBAGLBSA-N 1 1 255.308 3.435 20 10 CGCDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(OC)c(C)cc1O ZINC000774621442 800386961 /nfs/dbraw/zinc/38/69/61/800386961.db2.gz QJHIFEYRLKLMHJ-SMDDNHRTSA-N 1 1 263.381 3.330 20 10 CGCDMO Cc1cc(C[N@@H+]2CCO[C@H](CF)C2)c(O)c(C(C)(C)C)c1 ZINC000840171874 800496377 /nfs/dbraw/zinc/49/63/77/800496377.db2.gz QKAGGQITDRIKGM-CQSZACIVSA-N 1 1 295.398 3.168 20 10 CGCDMO Cc1cc(C[N@H+]2CCO[C@H](CF)C2)c(O)c(C(C)(C)C)c1 ZINC000840171874 800496381 /nfs/dbraw/zinc/49/63/81/800496381.db2.gz QKAGGQITDRIKGM-CQSZACIVSA-N 1 1 295.398 3.168 20 10 CGCDMO C[C@@H]1CCC[C@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)O1 ZINC000850379324 800517117 /nfs/dbraw/zinc/51/71/17/800517117.db2.gz LAVGVWGTIGMQRD-NXEZZACHSA-N 1 1 287.762 3.232 20 10 CGCDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001116507826 802368491 /nfs/dbraw/zinc/36/84/91/802368491.db2.gz UYHUNSFGBAARAS-SFHVURJKSA-N 1 1 288.435 3.144 20 10 CGCDMO CC[C@H]([NH2+][C@H]1CC[C@H](OC)C1)c1ccc(F)cc1O ZINC001117114008 802434014 /nfs/dbraw/zinc/43/40/14/802434014.db2.gz ZJWQLWXAAQVUBZ-OBJOEFQTSA-N 1 1 267.344 3.140 20 10 CGCDMO Nc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC001120263264 802737709 /nfs/dbraw/zinc/73/77/09/802737709.db2.gz MJLGXOOBYRVGKO-UHFFFAOYSA-N 1 1 297.358 3.342 20 10 CGCDMO Oc1c(F)cccc1Nc1cc[nH+]cc1C(F)(F)F ZINC001210195951 814332617 /nfs/dbraw/zinc/33/26/17/814332617.db2.gz NKBOBWFWWVXMMR-UHFFFAOYSA-N 1 1 272.201 3.111 20 10 CGCDMO Cc1cccc2c(C[N@H+]3CCc4cccc(O)c4C3)[nH]nc21 ZINC001137149333 803689258 /nfs/dbraw/zinc/68/92/58/803689258.db2.gz OZBLUCRTNKMFQL-UHFFFAOYSA-N 1 1 293.370 3.135 20 10 CGCDMO Cc1cc(C[N@@H+]2CC[C@H](O)C[C@H]2C)c(C)n1-c1ccccc1 ZINC001137858177 803785501 /nfs/dbraw/zinc/78/55/01/803785501.db2.gz ZNWODWVINPJADP-KUHUBIRLSA-N 1 1 298.430 3.439 20 10 CGCDMO CC[N@H+](Cc1cc(C)n(-c2ccccc2)c1C)C1COC1 ZINC001137857999 803786477 /nfs/dbraw/zinc/78/64/77/803786477.db2.gz SCFWPBPFKWZWGF-UHFFFAOYSA-N 1 1 284.403 3.315 20 10 CGCDMO CC[N@@H+](Cc1cc(C)n(-c2ccccc2)c1C)C1COC1 ZINC001137857999 803786481 /nfs/dbraw/zinc/78/64/81/803786481.db2.gz SCFWPBPFKWZWGF-UHFFFAOYSA-N 1 1 284.403 3.315 20 10 CGCDMO Cc1cc(C[N@H+]2CC[C@@]23CCOC3)c(C)n1-c1ccccc1 ZINC001137859411 803787460 /nfs/dbraw/zinc/78/74/60/803787460.db2.gz XGNJWZVKXOBVRP-IBGZPJMESA-N 1 1 296.414 3.459 20 10 CGCDMO CC1(C)OCCC12CC[NH+](Cc1cccc(F)c1O)CC2 ZINC001138130926 803865649 /nfs/dbraw/zinc/86/56/49/803865649.db2.gz LNGMSADGIDBEPX-UHFFFAOYSA-N 1 1 293.382 3.312 20 10 CGCDMO CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2[O-])CC1 ZINC001138130547 803865920 /nfs/dbraw/zinc/86/59/20/803865920.db2.gz CMOOODZNAFSGND-UHFFFAOYSA-N 1 1 294.414 3.228 20 10 CGCDMO C[C@H]1C[C@H](O)CC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001138219764 803874371 /nfs/dbraw/zinc/87/43/71/803874371.db2.gz NCUDCGHIJOJTBD-MAUKXSAKSA-N 1 1 288.435 3.022 20 10 CGCDMO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001138219766 803875253 /nfs/dbraw/zinc/87/52/53/803875253.db2.gz NCUDCGHIJOJTBD-QAPCUYQASA-N 1 1 288.435 3.022 20 10 CGCDMO Cc1c(C[N@H+]2CCC[C@@H](O)[C@H](C)C2)c2ccccc2n1C ZINC001138252298 803879303 /nfs/dbraw/zinc/87/93/03/803879303.db2.gz AWECDGUSRMTCES-FZKQIMNGSA-N 1 1 286.419 3.080 20 10 CGCDMO Cc1c(C[N@@H+]2C[C@@H](CO)CC[C@@H]2C)c2ccccc2n1C ZINC001138252676 803881063 /nfs/dbraw/zinc/88/10/63/803881063.db2.gz PQYSPEKSZKSYKG-ZFWWWQNUSA-N 1 1 286.419 3.080 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2c(C)n(C)c3ccccc32)CC1 ZINC001138258112 803884571 /nfs/dbraw/zinc/88/45/71/803884571.db2.gz LTANZWARWAIRNE-HNNXBMFYSA-N 1 1 286.419 3.488 20 10 CGCDMO Cc1c(C[N@H+]2CCC[C@@H](CCO)C2)c2ccccc2n1C ZINC001138258145 803885168 /nfs/dbraw/zinc/88/51/68/803885168.db2.gz NERBHVCSTAINIG-HNNXBMFYSA-N 1 1 286.419 3.081 20 10 CGCDMO CCCO[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138358401 803903080 /nfs/dbraw/zinc/90/30/80/803903080.db2.gz QLNFBIHHMYBPKT-KRWDZBQOSA-N 1 1 288.435 3.070 20 10 CGCDMO Cc1cc(C[N@@H+](C)C2CC(F)(F)C2)ccc1N(C)C ZINC001139669634 804245971 /nfs/dbraw/zinc/24/59/71/804245971.db2.gz FFBRTKHOMIGICU-UHFFFAOYSA-N 1 1 268.351 3.291 20 10 CGCDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC001139672855 804248610 /nfs/dbraw/zinc/24/86/10/804248610.db2.gz JOVSQPJBAIMBOG-KRWDZBQOSA-N 1 1 290.451 3.450 20 10 CGCDMO Cn1c(C[N@H+]2CCc3cccc(O)c3C2)cc2ccccc21 ZINC001139872137 804302573 /nfs/dbraw/zinc/30/25/73/804302573.db2.gz GXSDDGGGWOSLSE-UHFFFAOYSA-N 1 1 292.382 3.442 20 10 CGCDMO C[C@H]1C(=O)CC[N@@H+](Cc2cc(F)ccc2O)C12CCCC2 ZINC001140056311 804362961 /nfs/dbraw/zinc/36/29/61/804362961.db2.gz QPQRGDXLTUYZKN-LBPRGKRZSA-N 1 1 291.366 3.255 20 10 CGCDMO CC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(F)ccc1O)CC2 ZINC001140058955 804364360 /nfs/dbraw/zinc/36/43/60/804364360.db2.gz QUPKRINXHAEQFZ-UHFFFAOYSA-N 1 1 299.345 3.292 20 10 CGCDMO CC(=O)c1ccc2c(c1)C[N@H+](Cc1cc(F)ccc1O)CC2 ZINC001140058955 804364369 /nfs/dbraw/zinc/36/43/69/804364369.db2.gz QUPKRINXHAEQFZ-UHFFFAOYSA-N 1 1 299.345 3.292 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)c1O ZINC001140179492 804396437 /nfs/dbraw/zinc/39/64/37/804396437.db2.gz FGRRCYCLRSHMQF-ZBFHGGJFSA-N 1 1 275.392 3.010 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@H](Oc3ccncc3)C2)c1O ZINC001140183325 804396678 /nfs/dbraw/zinc/39/66/78/804396678.db2.gz CABKXWZCUFRXAA-INIZCTEOSA-N 1 1 298.386 3.057 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@H](Oc3cccnc3)C2)c1O ZINC001140179394 804396880 /nfs/dbraw/zinc/39/68/80/804396880.db2.gz JRUGNPDMRBCHDJ-INIZCTEOSA-N 1 1 298.386 3.057 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC001140183712 804396931 /nfs/dbraw/zinc/39/69/31/804396931.db2.gz ICYVMFACKGQBMF-ZDUSSCGKSA-N 1 1 293.407 3.171 20 10 CGCDMO Cc1ccc(C)c(C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC001140183712 804396939 /nfs/dbraw/zinc/39/69/39/804396939.db2.gz ICYVMFACKGQBMF-ZDUSSCGKSA-N 1 1 293.407 3.171 20 10 CGCDMO CCC[N@@H+](Cc1c(C)ccc(C)c1O)C1CCOCC1 ZINC001140183301 804397255 /nfs/dbraw/zinc/39/72/55/804397255.db2.gz AYPIPFPXCPYBDK-UHFFFAOYSA-N 1 1 277.408 3.400 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@]3(C2)CC(F)(F)CO3)c1O ZINC001140184217 804399479 /nfs/dbraw/zinc/39/94/79/804399479.db2.gz NOXQTRNJPGLHIT-OAHLLOKOSA-N 1 1 297.345 3.009 20 10 CGCDMO Cc1ccc(C[N@H+](C)Cc2c(C)ccc(C)c2O)cn1 ZINC001140185476 804399681 /nfs/dbraw/zinc/39/96/81/804399681.db2.gz WWDAGDAVGGAQIV-UHFFFAOYSA-N 1 1 270.376 3.344 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)CC[C@]1(C)O ZINC001140337724 804418289 /nfs/dbraw/zinc/41/82/89/804418289.db2.gz BCSPTPFDRCALOL-NHYWBVRUSA-N 1 1 283.799 3.029 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H](F)C1 ZINC001140461635 804441419 /nfs/dbraw/zinc/44/14/19/804441419.db2.gz OHBAYNHZFUYPHF-GFCCVEGCSA-N 1 1 257.736 3.370 20 10 CGCDMO CC(C)[N@H+](Cc1ccc(Cl)cc1O)C1CCN(C)CC1 ZINC001140464652 804442024 /nfs/dbraw/zinc/44/20/24/804442024.db2.gz YTYASAFUIMZMFA-UHFFFAOYSA-N 1 1 296.842 3.350 20 10 CGCDMO CC(C)[N@@H+](Cc1ccc(Cl)cc1O)C1CCN(C)CC1 ZINC001140464652 804442030 /nfs/dbraw/zinc/44/20/30/804442030.db2.gz YTYASAFUIMZMFA-UHFFFAOYSA-N 1 1 296.842 3.350 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@H](CF)C1 ZINC001140467509 804442620 /nfs/dbraw/zinc/44/26/20/804442620.db2.gz WDVWWMOPKZUFTR-SNVBAGLBSA-N 1 1 257.736 3.227 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@](CF)(C(F)(F)F)C2)c1 ZINC001140619270 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CC(C)[N@@H+](C)Cc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256931967 807014069 /nfs/dbraw/zinc/01/40/69/807014069.db2.gz XWTDCCPIURBORP-UHFFFAOYSA-N 1 1 296.374 3.368 20 10 CGCDMO Cc1ccc(C[N@@H+](C2CCC2)C2CCOCC2)c(O)c1 ZINC001140954113 804558792 /nfs/dbraw/zinc/55/87/92/804558792.db2.gz MADPLKSXKSIIAI-UHFFFAOYSA-N 1 1 275.392 3.234 20 10 CGCDMO Cc1ccc(C[N@H+]2CC[C@H](Oc3ccncc3C)C2)c(O)c1 ZINC001140953519 804558941 /nfs/dbraw/zinc/55/89/41/804558941.db2.gz AYEOHIZWYRADRB-INIZCTEOSA-N 1 1 298.386 3.057 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)Cc2ccccc2)c(OC)c1 ZINC001141031766 804575007 /nfs/dbraw/zinc/57/50/07/804575007.db2.gz KEHGUEPZDMSJJY-UHFFFAOYSA-N 1 1 287.359 3.041 20 10 CGCDMO COc1cc(O)c(C[N@@H+](C)CC2CCCCC2)c(OC)c1 ZINC001141029003 804575812 /nfs/dbraw/zinc/57/58/12/804575812.db2.gz GVVADRSKOKCULM-UHFFFAOYSA-N 1 1 293.407 3.422 20 10 CGCDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(O)ccc2O)cc1 ZINC001141158536 804600050 /nfs/dbraw/zinc/60/00/50/804600050.db2.gz CXWPJUIIAKNOPG-KRWDZBQOSA-N 1 1 299.370 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Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)cc1 ZINC001209520115 814072937 /nfs/dbraw/zinc/07/29/37/814072937.db2.gz NJTYDLNYTVCBTQ-LPHOPBHVSA-N 1 1 298.430 3.439 20 10 CGCDMO Cc1cc(Cl)ncc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001209633696 814102721 /nfs/dbraw/zinc/10/27/21/814102721.db2.gz MHOFMPOOSLETOU-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1cc(Cl)ncc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001209633696 814102726 /nfs/dbraw/zinc/10/27/26/814102726.db2.gz MHOFMPOOSLETOU-UHFFFAOYSA-N 1 1 288.778 3.307 20 10 CGCDMO Cc1cccc(C[N@H+]2CCC[C@@H](Oc3cccnc3)C2)c1O ZINC001231592511 818131704 /nfs/dbraw/zinc/13/17/04/818131704.db2.gz NJNIUDJIQUOHOY-QGZVFWFLSA-N 1 1 298.386 3.139 20 10 CGCDMO Cc1cccc(C[N@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c1O ZINC001231594664 818133966 /nfs/dbraw/zinc/13/39/66/818133966.db2.gz MQXROEOGWWEVGD-QGZVFWFLSA-N 1 1 295.382 3.405 20 10 CGCDMO COc1cc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c(O)cc1O ZINC001231636329 818144232 /nfs/dbraw/zinc/14/42/32/818144232.db2.gz SOHCQAOGQYJIEA-TZMCWYRMSA-N 1 1 291.391 3.261 20 10 CGCDMO CC[N@@H+](Cc1cc2cc[nH]c2cn1)Cc1ccccc1O ZINC001231669923 818155205 /nfs/dbraw/zinc/15/52/05/818155205.db2.gz RNEXTQMUNCZYIW-UHFFFAOYSA-N 1 1 281.359 3.291 20 10 CGCDMO CC(C)Oc1ncccc1C[N@@H+](C)Cc1ccccc1O ZINC001231761562 818169421 /nfs/dbraw/zinc/16/94/21/818169421.db2.gz GORNCVWDXGHYDU-UHFFFAOYSA-N 1 1 286.375 3.206 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCC[C@@]3(CCOC3)C2)c(O)c1 ZINC001231845037 818187265 /nfs/dbraw/zinc/18/72/65/818187265.db2.gz WFUKCSUSNLPNJK-QGZVFWFLSA-N 1 1 275.392 3.012 20 10 CGCDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1c(C)cc(C)cc1O ZINC001231847029 818187843 /nfs/dbraw/zinc/18/78/43/818187843.db2.gz UQJFDMCCAQEQPZ-MRXNPFEDSA-N 1 1 277.408 3.398 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001231845642 818187873 /nfs/dbraw/zinc/18/78/73/818187873.db2.gz DYXIDOZJNZSYNK-LLVKDONJSA-N 1 1 273.298 3.393 20 10 CGCDMO CC[N@@H+](CCCC(=O)OC)Cc1cc(Cl)c(C)cc1O ZINC001231867555 818191261 /nfs/dbraw/zinc/19/12/61/818191261.db2.gz 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/nfs/dbraw/zinc/59/46/64/819594664.db2.gz QPDCEPOTAAEGMR-JKSUJKDBSA-N 1 1 287.403 3.288 20 10 CGCDMO Oc1cc(Cl)c(Cl)cc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001236789372 819595249 /nfs/dbraw/zinc/59/52/49/819595249.db2.gz FLNMFOJFKDZKQP-OCAPTIKFSA-N 1 1 258.148 3.151 20 10 CGCDMO Oc1cc(Cl)c(Cl)cc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001236789372 819595252 /nfs/dbraw/zinc/59/52/52/819595252.db2.gz FLNMFOJFKDZKQP-OCAPTIKFSA-N 1 1 258.148 3.151 20 10 CGCDMO CC[C@@H]1CCC[N@H+]1Cc1c(O)cc(OC)cc1Cl ZINC001236798946 819599504 /nfs/dbraw/zinc/59/95/04/819599504.db2.gz JZULLKVDODOKCL-SNVBAGLBSA-N 1 1 269.772 3.429 20 10 CGCDMO COc1cc(C)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c(O)c1 ZINC001236808598 819604388 /nfs/dbraw/zinc/60/43/88/819604388.db2.gz QRDMEOOOYQPQPX-TXEJJXNPSA-N 1 1 297.345 3.186 20 10 CGCDMO COc1cc(C)c(C[N@H+]2CC[C@H](c3cccnc3)C2)c(O)c1 ZINC001236814862 819605921 /nfs/dbraw/zinc/60/59/21/819605921.db2.gz XCJSKBXJHHZHGR-HNNXBMFYSA-N 1 1 298.386 3.094 20 10 CGCDMO CCN1CC[N@@H+](Cc2cc3ccccc3cc2O)[C@H](C)C1 ZINC001236836183 819614579 /nfs/dbraw/zinc/61/45/79/819614579.db2.gz ZDDHBDQTILCHLR-CQSZACIVSA-N 1 1 284.403 3.071 20 10 CGCDMO CC[N@@H+]1CCN(Cc2cc3ccccc3cc2O)[C@H](C)C1 ZINC001236836183 819614584 /nfs/dbraw/zinc/61/45/84/819614584.db2.gz ZDDHBDQTILCHLR-CQSZACIVSA-N 1 1 284.403 3.071 20 10 CGCDMO CC[N@H+]1CCN(Cc2cc3ccccc3cc2O)[C@H](C)C1 ZINC001236836183 819614586 /nfs/dbraw/zinc/61/45/86/819614586.db2.gz ZDDHBDQTILCHLR-CQSZACIVSA-N 1 1 284.403 3.071 20 10 CGCDMO CCOc1ccc(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)c(O)c1 ZINC001237049838 819651799 /nfs/dbraw/zinc/65/17/99/819651799.db2.gz LWTOLOCQKLLNNO-CABCVRRESA-N 1 1 285.334 3.063 20 10 CGCDMO CCOc1ccc(C[N@H+]2CC[C@](C)(F)[C@H](F)C2)c(O)c1 ZINC001237049838 819651802 /nfs/dbraw/zinc/65/18/02/819651802.db2.gz LWTOLOCQKLLNNO-CABCVRRESA-N 1 1 285.334 3.063 20 10 CGCDMO CC(C)c1ccc(C[N@@H+]2CCOC[C@H]2C(C)C)c(O)c1 ZINC001237048393 819652218 /nfs/dbraw/zinc/65/22/18/819652218.db2.gz FBPQPTZPMWOWQX-INIZCTEOSA-N 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MNQSQLUQSKCLRV-UHFFFAOYSA-N 1 1 291.782 3.084 20 10 CGCDMO Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1O ZINC001238058307 819920627 /nfs/dbraw/zinc/92/06/27/819920627.db2.gz QDPLQXYRHUDETD-BETUJISGSA-N 1 1 263.356 3.462 20 10 CGCDMO Cn1ccc2c1cc[nH+]c2-c1cnn(C(C)(C)C)c1 ZINC001243560547 823444720 /nfs/dbraw/zinc/44/47/20/823444720.db2.gz XJDASYLYFICUIK-UHFFFAOYSA-N 1 1 254.337 3.192 20 10 CGCDMO COc1ccc2c(c1)CCC[N@H+](Cc1ccc(N)cc1)C2 ZINC001345159519 936804969 /nfs/dbraw/zinc/80/49/69/936804969.db2.gz JOGLOFDHANFWFW-UHFFFAOYSA-N 1 1 282.387 3.226 20 10 CGCDMO CCC[N@@H+](Cc1ccc(N)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC001352786761 937049453 /nfs/dbraw/zinc/04/94/53/937049453.db2.gz AAOLZWDJENXEQD-ZACQAIPSSA-N 1 1 288.435 3.294 20 10 CGCDMO C[C@@H]([NH2+]Cc1cocn1)c1ccc2ccccc2c1O ZINC000397801953 928806123 /nfs/dbraw/zinc/80/61/23/928806123.db2.gz CBKFZBKBHRVGOC-LLVKDONJSA-N 1 1 268.316 3.384 20 10 CGCDMO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)c1O ZINC001140178526 931957129 /nfs/dbraw/zinc/95/71/29/931957129.db2.gz NMDMPQXSCXLBPN-BXUZGUMPSA-N 1 1 251.345 3.189 20 10 CGCDMO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2O)C1(C)C ZINC001461880593 937603897 /nfs/dbraw/zinc/60/38/97/937603897.db2.gz KATBCSVIPPUXFD-GDBMZVCRSA-N 1 1 299.361 3.306 20 10 CGCDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2cc(F)c(F)cc2O)C1(C)C ZINC001461880593 937603900 /nfs/dbraw/zinc/60/39/00/937603900.db2.gz KATBCSVIPPUXFD-GDBMZVCRSA-N 1 1 299.361 3.306 20 10 CGCDMO COc1cc(C)c(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c(O)c1 ZINC001461902430 937605103 /nfs/dbraw/zinc/60/51/03/937605103.db2.gz SLQOJPTXCOEODR-TXEJJXNPSA-N 1 1 281.421 3.035 20 10 CGCDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C(C)C)ccc2O)C1 ZINC001462215641 937626101 /nfs/dbraw/zinc/62/61/01/937626101.db2.gz PUSKUKROLSXUMU-GASCZTMLSA-N 1 1 263.381 3.125 20 10 CGCDMO CC[N@H+](Cc1c(C)cc(OC)cc1O)CC1CCC1 ZINC001462143863 937620856 /nfs/dbraw/zinc/62/08/56/937620856.db2.gz CVEBPCNIKJXFNK-UHFFFAOYSA-N 1 1 263.381 3.331 20 10 CGCDMO COCC[N@H+](Cc1cc(F)cc(F)c1O)[C@H]1CC[C@H](C)C1 ZINC001462173294 937622639 /nfs/dbraw/zinc/62/26/39/937622639.db2.gz BOIDWXYUPZKUSI-FZMZJTMJSA-N 1 1 299.361 3.307 20 10 CGCDMO COCC[N@@H+](Cc1cc(F)cc(F)c1O)[C@H]1CC[C@H](C)C1 ZINC001462173294 937622642 /nfs/dbraw/zinc/62/26/42/937622642.db2.gz BOIDWXYUPZKUSI-FZMZJTMJSA-N 1 1 299.361 3.307 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC001462259487 937628077 /nfs/dbraw/zinc/62/80/77/937628077.db2.gz NUGURCNHYPKKLF-QGZVFWFLSA-N 1 1 290.476 3.388 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC001462259483 937628197 /nfs/dbraw/zinc/62/81/97/937628197.db2.gz NUGURCNHYPKKLF-KRWDZBQOSA-N 1 1 290.476 3.388 20 10 CGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCOC3(CCC3)C2)c1 ZINC001308599131 933140183 /nfs/dbraw/zinc/14/01/83/933140183.db2.gz KUMSLFRKIVOFPF-UHFFFAOYSA-N 1 1 275.392 3.271 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2cc(C(C)C)ccc2O)C[C@H]1C ZINC001308774964 933173354 /nfs/dbraw/zinc/17/33/54/933173354.db2.gz XAIGEMZHLZTJQD-DYVFJYSZSA-N 1 1 277.408 3.372 20 10 CGCDMO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1c(O)cccc1F ZINC001308947282 933210412 /nfs/dbraw/zinc/21/04/12/933210412.db2.gz BQUUXXBKLVNJND-NEPJUHHUSA-N 1 1 251.345 3.447 20 10 CGCDMO COCC1=CC[N@@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001320407448 934045177 /nfs/dbraw/zinc/04/51/77/934045177.db2.gz GJSKLXRRBPHIOZ-UHFFFAOYSA-N 1 1 286.419 3.065 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001325290108 934901487 /nfs/dbraw/zinc/90/14/87/934901487.db2.gz SQLKXNZFDRCSGJ-WMZOPIPTSA-N 1 1 288.435 3.062 20 10 CGCDMO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC001325339881 934905642 /nfs/dbraw/zinc/90/56/42/934905642.db2.gz LOKVRBCEYZZETB-GJZGRUSLSA-N 1 1 276.424 3.083 20 10 CGCDMO Cc1cc(O)c(C[NH2+]CCCC[N@H+](C)C2CC2)cc1Cl ZINC001327823627 935087430 /nfs/dbraw/zinc/08/74/30/935087430.db2.gz IDFRPWXOAZUWBV-UHFFFAOYSA-N 1 1 296.842 3.318 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1Cl ZINC001327823627 935087436 /nfs/dbraw/zinc/08/74/36/935087436.db2.gz IDFRPWXOAZUWBV-UHFFFAOYSA-N 1 1 296.842 3.318 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]CCCC[N@H+](C)C2CC2)cc1Cl ZINC001327823627 935087442 /nfs/dbraw/zinc/08/74/42/935087442.db2.gz IDFRPWXOAZUWBV-UHFFFAOYSA-N 1 1 296.842 3.318 20 10 CGCDMO Nc1ccc(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)cc1 ZINC001334775361 936112946 /nfs/dbraw/zinc/11/29/46/936112946.db2.gz XUIXBOMWHLCDOD-KRWDZBQOSA-N 1 1 270.351 3.340 20 10 CGCDMO CCC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2[O-])CC1 ZINC001474363938 937854881 /nfs/dbraw/zinc/85/48/81/937854881.db2.gz USEKLWXNRSDJKZ-UHFFFAOYSA-N 1 1 296.842 3.352 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH2+][C@@H]1CCOC12CCCCC2 ZINC001474730186 937877659 /nfs/dbraw/zinc/87/76/59/937877659.db2.gz PPVYGIOPENSJQA-OAHLLOKOSA-N 1 1 297.345 3.252 20 10 CGCDMO C=C/C=C/CC[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC001559492454 938227500 /nfs/dbraw/zinc/22/75/00/938227500.db2.gz QDEHKPXMAPNBLA-SNAWJCMRSA-N 1 1 286.419 3.340 20 10 CGCDMO Cc1ccc(CC[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC001560335875 938253465 /nfs/dbraw/zinc/25/34/65/938253465.db2.gz WCNFAJCREXFNHI-UHFFFAOYSA-N 1 1 277.314 3.311 20 10 CGCDMO CC(C)C[C@@H]1COCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001560697914 938270931 /nfs/dbraw/zinc/27/09/31/938270931.db2.gz UEURXWIOWNCAOH-CQSZACIVSA-N 1 1 283.799 3.293 20 10 CGCDMO CC(C)C[C@@H]1COCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001560697914 938270933 /nfs/dbraw/zinc/27/09/33/938270933.db2.gz UEURXWIOWNCAOH-CQSZACIVSA-N 1 1 283.799 3.293 20 10 CGCDMO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccc(N)cc2)CCO1 ZINC001576561350 962468888 /nfs/dbraw/zinc/46/88/88/962468888.db2.gz KLLWIPUKLOJKDD-GOSISDBHSA-N 1 1 282.387 3.016 20 10 CGCDMO Cc1cnc(CC[N@H+](C)Cc2cc(C)c(C)cc2O)s1 ZINC000165217007 346184221 /nfs/dbraw/zinc/18/42/21/346184221.db2.gz DKWCMLKEHSMYPL-UHFFFAOYSA-N 1 1 290.432 3.448 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cnn3ccccc23)cc1 ZINC000178864403 346252424 /nfs/dbraw/zinc/25/24/24/346252424.db2.gz XYGCWVRSYRWPGI-UHFFFAOYSA-N 1 1 294.402 3.032 20 10 CGCDMO CC[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccccc1O ZINC000019905851 368778443 /nfs/dbraw/zinc/77/84/43/368778443.db2.gz KXDDNJULFULHBI-AWEZNQCLSA-N 1 1 264.413 3.021 20 10 CGCDMO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n[nH]1 ZINC000090531840 370062265 /nfs/dbraw/zinc/06/22/65/370062265.db2.gz WEYULYPSJRMYDL-JSGCOSHPSA-N 1 1 286.423 3.066 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)[C@H](CO)c1ccc(Cl)cc1 ZINC000295075896 372690056 /nfs/dbraw/zinc/69/00/56/372690056.db2.gz PSAYSBTUXMIFRS-OAHLLOKOSA-N 1 1 291.778 3.211 20 10 CGCDMO COc1cccc(C[N@H+]2CCc3cc(F)ccc3C2)c1O ZINC000181447050 374125139 /nfs/dbraw/zinc/12/51/39/374125139.db2.gz WZYJJILEOJAUEJ-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO CCN1CC[C@H]([NH2+]Cc2c(C)c3ccccc3n2C)[C@H](C)C1 ZINC000475200317 375132270 /nfs/dbraw/zinc/13/22/70/375132270.db2.gz ZXUNAAGWJWRSBP-PBHICJAKSA-N 1 1 299.462 3.307 20 10 CGCDMO CC[N@@H+]1CC[C@H](NCc2c(C)c3ccccc3n2C)[C@H](C)C1 ZINC000475200317 375132277 /nfs/dbraw/zinc/13/22/77/375132277.db2.gz ZXUNAAGWJWRSBP-PBHICJAKSA-N 1 1 299.462 3.307 20 10 CGCDMO CC[N@H+]1CC[C@H](NCc2c(C)c3ccccc3n2C)[C@H](C)C1 ZINC000475200317 375132283 /nfs/dbraw/zinc/13/22/83/375132283.db2.gz ZXUNAAGWJWRSBP-PBHICJAKSA-N 1 1 299.462 3.307 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1O ZINC000245637863 376872471 /nfs/dbraw/zinc/87/24/71/376872471.db2.gz CNTHNFPJOGWXFA-SWLSCSKDSA-N 1 1 295.810 3.355 20 10 CGCDMO Cc1n[nH]cc1C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000271062556 378445524 /nfs/dbraw/zinc/44/55/24/378445524.db2.gz HMEZKVDJCUDPDG-UHFFFAOYSA-N 1 1 286.423 3.195 20 10 CGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000271361006 378488816 /nfs/dbraw/zinc/48/88/16/378488816.db2.gz NFYXPLLMCGDSOJ-UAGQMJEPSA-N 1 1 289.419 3.418 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C(C2CC2)C2CC2)c1 ZINC000273419960 378746381 /nfs/dbraw/zinc/74/63/81/378746381.db2.gz RUYSKFHBPCOMSP-SNVBAGLBSA-N 1 1 289.375 3.018 20 10 CGCDMO C[C@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccccc1O ZINC000272800514 378706742 /nfs/dbraw/zinc/70/67/42/378706742.db2.gz BKBDGIPAGUJMBJ-IINYFYTJSA-N 1 1 293.313 3.055 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1C ZINC000285242770 380145901 /nfs/dbraw/zinc/14/59/01/380145901.db2.gz ZQIMVSWPUFZOPM-MRXNPFEDSA-N 1 1 285.391 3.459 20 10 CGCDMO CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1[O-] ZINC000285572348 380150277 /nfs/dbraw/zinc/15/02/77/380150277.db2.gz IBGAKMCRZXUSFV-BLLLJJGKSA-N 1 1 292.398 3.056 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000093768562 392239323 /nfs/dbraw/zinc/23/93/23/392239323.db2.gz MJCDMHCWNNPUDU-INIZCTEOSA-N 1 1 289.400 3.336 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCC3(C2)Oc2ccccc2O3)c1 ZINC000290122117 392441054 /nfs/dbraw/zinc/44/10/54/392441054.db2.gz IXAHEIUFPMFNMC-UHFFFAOYSA-N 1 1 297.354 3.074 20 10 CGCDMO COc1cccc(C[N@@H+]2CCC[C@H]2c2nccs2)c1O ZINC000374303780 392676013 /nfs/dbraw/zinc/67/60/13/392676013.db2.gz WZDIVSNIHBUBPT-LBPRGKRZSA-N 1 1 290.388 3.194 20 10 CGCDMO COc1cccc(C[N@H+]2CCC[C@H]2c2nccs2)c1O ZINC000374303780 392676024 /nfs/dbraw/zinc/67/60/24/392676024.db2.gz WZDIVSNIHBUBPT-LBPRGKRZSA-N 1 1 290.388 3.194 20 10 CGCDMO CC[NH+](CC)C[C@H]1CCN(Cc2cc(C)c(C)cc2O)C1 ZINC000173433270 392625474 /nfs/dbraw/zinc/62/54/74/392625474.db2.gz LQHMJAMYYZHUTN-MRXNPFEDSA-N 1 1 290.451 3.173 20 10 CGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C(C2CC2)C2CC2)c1 ZINC000273419956 292014154 /nfs/dbraw/zinc/01/41/54/292014154.db2.gz RUYSKFHBPCOMSP-JTQLQIEISA-N 1 1 289.375 3.018 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000092729735 260499508 /nfs/dbraw/zinc/49/95/08/260499508.db2.gz IMKOBUZDQSSLDJ-CQSZACIVSA-N 1 1 271.364 3.151 20 10 CGCDMO Oc1c(Cl)cccc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000179878422 261820985 /nfs/dbraw/zinc/82/09/85/261820985.db2.gz HLYKRDGFWXVJSO-CQSZACIVSA-N 1 1 294.826 3.106 20 10 CGCDMO OC[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1ccccc1O ZINC000184788488 262029910 /nfs/dbraw/zinc/02/99/10/262029910.db2.gz FJODMKVDYCEKBS-SFHVURJKSA-N 1 1 297.398 3.165 20 10 CGCDMO CCOCCC1(C[NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000186155295 262082051 /nfs/dbraw/zinc/08/20/51/262082051.db2.gz YKNDZZIQAXFCEI-LBPRGKRZSA-N 1 1 281.371 3.389 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1F ZINC000284957752 263088681 /nfs/dbraw/zinc/08/86/81/263088681.db2.gz HUEILDGFIGWQGJ-DLBZAZTESA-N 1 1 292.398 3.035 20 10 CGCDMO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC000368141842 267148326 /nfs/dbraw/zinc/14/83/26/267148326.db2.gz HAOAXZBIOIWCFP-ZUZCIYMTSA-N 1 1 273.307 3.143 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000377195037 268054710 /nfs/dbraw/zinc/05/47/10/268054710.db2.gz CLAZEEINUWFCOZ-QWRGUYRKSA-N 1 1 299.773 3.043 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000377195037 268054711 /nfs/dbraw/zinc/05/47/11/268054711.db2.gz CLAZEEINUWFCOZ-QWRGUYRKSA-N 1 1 299.773 3.043 20 10 CGCDMO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185564359 327841043 /nfs/dbraw/zinc/84/10/43/327841043.db2.gz ZFHWHNUWTKVDRT-QWRGUYRKSA-N 1 1 269.360 3.386 20 10 CGCDMO C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CCC[C@H]1O ZINC000289518027 328254818 /nfs/dbraw/zinc/25/48/18/328254818.db2.gz GYSQJXVBHARVHV-IEBWSBKVSA-N 1 1 297.398 3.404 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000378503335 329053266 /nfs/dbraw/zinc/05/32/66/329053266.db2.gz ZCOHJUUQHIIINM-LLVKDONJSA-N 1 1 261.296 3.114 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000378503335 329053268 /nfs/dbraw/zinc/05/32/68/329053268.db2.gz ZCOHJUUQHIIINM-LLVKDONJSA-N 1 1 261.296 3.114 20 10 CGCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186452232 329342781 /nfs/dbraw/zinc/34/27/81/329342781.db2.gz UEUJDPPXHJYEMF-SFHVURJKSA-N 1 1 299.345 3.163 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000249600915 329908153 /nfs/dbraw/zinc/90/81/53/329908153.db2.gz ODUGGTSJFZGHPJ-MRCXROJRSA-N 1 1 299.773 3.232 20 10 CGCDMO Cc1nc(CC[NH2+][C@H](C)c2ccc(F)cc2O)cs1 ZINC000230658452 333319731 /nfs/dbraw/zinc/31/97/31/333319731.db2.gz XVIPRKFOJIBZCL-SECBINFHSA-N 1 1 280.368 3.190 20 10 CGCDMO CCC[C@@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000290162954 520966410 /nfs/dbraw/zinc/96/64/10/520966410.db2.gz MBTQACWEAABTNZ-MRXNPFEDSA-N 1 1 297.826 3.339 20 10 CGCDMO Cc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2O)cn1 ZINC000062748549 524604894 /nfs/dbraw/zinc/60/48/94/524604894.db2.gz YQELBXSHUZRBLU-LLVKDONJSA-N 1 1 260.312 3.086 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000290124025 524736746 /nfs/dbraw/zinc/73/67/46/524736746.db2.gz JBGPORIATDRXMO-CYBMUJFWSA-N 1 1 261.365 3.023 20 10 CGCDMO Oc1ccc(F)cc1CNc1cc(C2CC2)cc[nH+]1 ZINC000290856278 526351815 /nfs/dbraw/zinc/35/18/15/526351815.db2.gz JJLUKGMFTWANTR-UHFFFAOYSA-N 1 1 258.296 3.416 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291054989 526356320 /nfs/dbraw/zinc/35/63/20/526356320.db2.gz HKEWIAGDGWDZAP-OAHLLOKOSA-N 1 1 293.370 3.189 20 10 CGCDMO Cc1ncsc1C[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000738160363 572365198 /nfs/dbraw/zinc/36/51/98/572365198.db2.gz IMVXGZVCZPFEJR-UHFFFAOYSA-N 1 1 299.399 3.337 20 10 CGCDMO Oc1ccccc1C[N@H+](Cc1ccco1)C[C@H]1CCOC1 ZINC000732202554 572452013 /nfs/dbraw/zinc/45/20/13/572452013.db2.gz WGDUJSKAAHBKHE-CQSZACIVSA-N 1 1 287.359 3.024 20 10 CGCDMO C[N@H+](Cc1cc2c(cc1O)CCCC2)C[C@H]1CCCOC1 ZINC000160163225 617609533 /nfs/dbraw/zinc/60/95/33/617609533.db2.gz JZVWNXWJWWSZNU-CQSZACIVSA-N 1 1 289.419 3.129 20 10 CGCDMO COc1cc(O)c(C[N@H+]2C[C@H](C)CCC[C@@H]2C)cc1OC ZINC000160288925 617873423 /nfs/dbraw/zinc/87/34/23/617873423.db2.gz YVIYBUDPGRLAPW-OLZOCXBDSA-N 1 1 293.407 3.420 20 10 CGCDMO CC[C@]1(C)CCC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160311491 617950282 /nfs/dbraw/zinc/95/02/82/617950282.db2.gz ACDICTNZRUNECX-QGZVFWFLSA-N 1 1 293.407 3.422 20 10 CGCDMO COc1cc(C[N@H+]2CCC3(CCCC3)C2)c(O)cc1C ZINC000160314457 617951241 /nfs/dbraw/zinc/95/12/41/617951241.db2.gz CFXLKDDLYXWINU-UHFFFAOYSA-N 1 1 275.392 3.475 20 10 CGCDMO COc1ccc(C[N@@H+](CC(C)C)C2CC2)c(O)c1OC ZINC000891668556 618244729 /nfs/dbraw/zinc/24/47/29/618244729.db2.gz PTCLIDTYJDLQSE-UHFFFAOYSA-N 1 1 279.380 3.030 20 10 CGCDMO Cc1nn(C(C)C)c(C)c1C[N@@H+](C)Cc1ccccc1O ZINC000891713360 618254509 /nfs/dbraw/zinc/25/45/09/618254509.db2.gz ASYPEPBLYDNYCF-UHFFFAOYSA-N 1 1 287.407 3.418 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H]2CN2CCCC2)c1 ZINC000178891128 618712841 /nfs/dbraw/zinc/71/28/41/618712841.db2.gz FIHAFCDDPHIODL-KRWDZBQOSA-N 1 1 288.435 3.069 20 10 CGCDMO Cc1cc(C)c(O)c(CN2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000178891128 618712844 /nfs/dbraw/zinc/71/28/44/618712844.db2.gz FIHAFCDDPHIODL-KRWDZBQOSA-N 1 1 288.435 3.069 20 10 CGCDMO CCOc1ncccc1C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000184985638 625287392 /nfs/dbraw/zinc/28/73/92/625287392.db2.gz QDCSPEWSHNEUKS-LLVKDONJSA-N 1 1 290.338 3.176 20 10 CGCDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2ccccc2O)C1(C)C ZINC000179584954 618795995 /nfs/dbraw/zinc/79/59/95/618795995.db2.gz VYNSKRFNWRMCRQ-ZBFHGGJFSA-N 1 1 263.381 3.028 20 10 CGCDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2ccccc2O)C1 ZINC000179584709 618796191 /nfs/dbraw/zinc/79/61/91/618796191.db2.gz NHUOJDGWVPCWOP-KBPBESRZSA-N 1 1 265.422 3.498 20 10 CGCDMO Cn1cccc1C[N@@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000160412406 618866476 /nfs/dbraw/zinc/86/64/76/618866476.db2.gz QTWWFEYPIWOWAG-UHFFFAOYSA-N 1 1 284.403 3.242 20 10 CGCDMO CC(C)[N@@H+](C)C[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000312467696 619078605 /nfs/dbraw/zinc/07/86/05/619078605.db2.gz WUQUPYLZUAFQQQ-HUUCEWRRSA-N 1 1 277.456 3.132 20 10 CGCDMO CC(C)[N@H+](C)C[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000312467696 619078608 /nfs/dbraw/zinc/07/86/08/619078608.db2.gz WUQUPYLZUAFQQQ-HUUCEWRRSA-N 1 1 277.456 3.132 20 10 CGCDMO C[N@H+]1CC[C@@H](CSc2ncc(C(C)(C)C)s2)C1 ZINC000187694430 619079445 /nfs/dbraw/zinc/07/94/45/619079445.db2.gz BDGKLFUKKQTYQU-SNVBAGLBSA-N 1 1 270.467 3.484 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCSCC[C@H]2C)c1 ZINC000191817936 619113091 /nfs/dbraw/zinc/11/30/91/619113091.db2.gz KYRLAKALEZLVQO-GFCCVEGCSA-N 1 1 281.421 3.118 20 10 CGCDMO CCC[C@]1(COC)CCC[N@H+]1Cc1cc(OC)ccc1O ZINC000195199248 619147594 /nfs/dbraw/zinc/14/75/94/619147594.db2.gz YLMCQGGDQPPTOT-QGZVFWFLSA-N 1 1 293.407 3.182 20 10 CGCDMO CCc1nocc1C[N@@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840949571 619251924 /nfs/dbraw/zinc/25/19/24/619251924.db2.gz YFROMHHEIBHQED-UHFFFAOYSA-N 1 1 287.407 3.243 20 10 CGCDMO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H](C)c1ccccc1O ZINC000248384103 619380159 /nfs/dbraw/zinc/38/01/59/619380159.db2.gz CQOAXTQGBOKSMG-FZKCQIBNSA-N 1 1 290.451 3.409 20 10 CGCDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H](C)c1ccccc1O ZINC000248384103 619380163 /nfs/dbraw/zinc/38/01/63/619380163.db2.gz CQOAXTQGBOKSMG-FZKCQIBNSA-N 1 1 290.451 3.409 20 10 CGCDMO COc1ccc(C[N@@H+](CC2CC2)C2CCC2)c(O)c1OC ZINC000894187000 619408748 /nfs/dbraw/zinc/40/87/48/619408748.db2.gz FCXBUIZAGPAKEB-UHFFFAOYSA-N 1 1 291.391 3.174 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)Cc2ccc(C)cn2)c1O ZINC000894540123 619568850 /nfs/dbraw/zinc/56/88/50/619568850.db2.gz CSEWBKGIHUGUOP-UHFFFAOYSA-N 1 1 286.375 3.045 20 10 CGCDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894600702 619583753 /nfs/dbraw/zinc/58/37/53/619583753.db2.gz KTRUIVLYUFTVMT-GMSGAONNSA-N 1 1 295.251 3.443 20 10 CGCDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894600702 619583760 /nfs/dbraw/zinc/58/37/60/619583760.db2.gz KTRUIVLYUFTVMT-GMSGAONNSA-N 1 1 295.251 3.443 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895841580 619892007 /nfs/dbraw/zinc/89/20/07/619892007.db2.gz CXODFKSGUABEOI-FUHWJXTLSA-N 1 1 288.435 3.062 20 10 CGCDMO Cc1cccc(C[NH2+]Cc2c(O)cccc2F)c1C ZINC000896640630 620041645 /nfs/dbraw/zinc/04/16/45/620041645.db2.gz KEWBIYJWGGDBEV-UHFFFAOYSA-N 1 1 259.324 3.438 20 10 CGCDMO CCc1ccc(C[NH2+]Cc2c(O)cccc2F)s1 ZINC000896641866 620042137 /nfs/dbraw/zinc/04/21/37/620042137.db2.gz UOFZFHZNRCDZPK-UHFFFAOYSA-N 1 1 265.353 3.445 20 10 CGCDMO Oc1cccc(F)c1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000896641324 620042219 /nfs/dbraw/zinc/04/22/19/620042219.db2.gz QEFJZICGRMXBFZ-GFCCVEGCSA-N 1 1 287.334 3.187 20 10 CGCDMO COc1ccc(C)cc1C[NH2+]Cc1c(O)cccc1F ZINC000896641974 620042468 /nfs/dbraw/zinc/04/24/68/620042468.db2.gz VQDLMHWAUIVXAV-UHFFFAOYSA-N 1 1 275.323 3.138 20 10 CGCDMO CC[C@@H]([NH2+][C@H](C)CN(CC)CC)c1ccc(F)cc1O ZINC000796750469 620142537 /nfs/dbraw/zinc/14/25/37/620142537.db2.gz ZEEVZYAOMSSVBG-IUODEOHRSA-N 1 1 282.403 3.302 20 10 CGCDMO CC1=C[C@H](C)C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000797604374 620220496 /nfs/dbraw/zinc/22/04/96/620220496.db2.gz DXNKULPTIWZFIZ-LBPRGKRZSA-N 1 1 262.372 3.290 20 10 CGCDMO CCC[C@H](O)CC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000927026269 620563978 /nfs/dbraw/zinc/56/39/78/620563978.db2.gz ZZYLFLQIIOVEPD-PWSUYJOCSA-N 1 1 271.788 3.247 20 10 CGCDMO Cc1ccc([C@H](C)NCc2cc(N(C)C)cc[nH+]2)c(O)c1 ZINC000903199093 621623647 /nfs/dbraw/zinc/62/36/47/621623647.db2.gz TUSYLSZRGHCNIJ-ZDUSSCGKSA-N 1 1 285.391 3.012 20 10 CGCDMO C[C@@H]([NH2+][C@H](CCO)C1CCCC1)c1c(O)cccc1F ZINC000903298841 621666493 /nfs/dbraw/zinc/66/64/93/621666493.db2.gz YEXYAYKELQHVQO-BXUZGUMPSA-N 1 1 281.371 3.123 20 10 CGCDMO Cc1ncccc1CC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000903418442 621736291 /nfs/dbraw/zinc/73/62/91/621736291.db2.gz KPZFKNWQBGKOIQ-LBPRGKRZSA-N 1 1 274.339 3.128 20 10 CGCDMO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)n[nH]1 ZINC000186130745 625519478 /nfs/dbraw/zinc/51/94/78/625519478.db2.gz PJVLEVWTZZESBE-YPMHNXCESA-N 1 1 273.380 3.014 20 10 CGCDMO C[N@@H+](CCC[NH2+]Cc1cc(F)ccc1O)C1CCCCC1 ZINC000226582818 622984349 /nfs/dbraw/zinc/98/43/49/622984349.db2.gz UGPQZFJESARGAA-UHFFFAOYSA-N 1 1 294.414 3.276 20 10 CGCDMO C[N@H+](CCCNCc1cc(F)ccc1O)C1CCCCC1 ZINC000226582818 622984352 /nfs/dbraw/zinc/98/43/52/622984352.db2.gz UGPQZFJESARGAA-UHFFFAOYSA-N 1 1 294.414 3.276 20 10 CGCDMO C[N@@H+](CCCNCc1cc(F)ccc1O)C1CCCCC1 ZINC000226582818 622984353 /nfs/dbraw/zinc/98/43/53/622984353.db2.gz UGPQZFJESARGAA-UHFFFAOYSA-N 1 1 294.414 3.276 20 10 CGCDMO CC[NH2+]CCC[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000817942662 625621949 /nfs/dbraw/zinc/62/19/49/625621949.db2.gz CGJUSRSOKYHCBP-ZDUSSCGKSA-N 1 1 270.804 3.086 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000171130164 623134712 /nfs/dbraw/zinc/13/47/12/623134712.db2.gz BTYUNPMQHRLUEO-CQSZACIVSA-N 1 1 293.407 3.006 20 10 CGCDMO C[N@H+](Cc1ccccc1O)Cc1cccnc1Cl ZINC000171926928 623200854 /nfs/dbraw/zinc/20/08/54/623200854.db2.gz OMPCYEAHUADNLZ-UHFFFAOYSA-N 1 1 262.740 3.073 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1cccnc1Cl ZINC000171926928 623200867 /nfs/dbraw/zinc/20/08/67/623200867.db2.gz OMPCYEAHUADNLZ-UHFFFAOYSA-N 1 1 262.740 3.073 20 10 CGCDMO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1O ZINC000062748402 623268146 /nfs/dbraw/zinc/26/81/46/623268146.db2.gz UNUKREHVLGJAGC-SNVBAGLBSA-N 1 1 290.294 3.290 20 10 CGCDMO Oc1ccccc1C[N@H+](Cc1nncs1)C1CCCC1 ZINC000929636157 623489010 /nfs/dbraw/zinc/48/90/10/623489010.db2.gz SJKBPMNFCQTKPI-UHFFFAOYSA-N 1 1 289.404 3.189 20 10 CGCDMO Oc1ccccc1C[N@@H+](Cc1nncs1)C1CCCC1 ZINC000929636157 623489018 /nfs/dbraw/zinc/48/90/18/623489018.db2.gz SJKBPMNFCQTKPI-UHFFFAOYSA-N 1 1 289.404 3.189 20 10 CGCDMO CC[C@H](CN[C@H](C)c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000151671406 623556257 /nfs/dbraw/zinc/55/62/57/623556257.db2.gz SYSYBRMROLJYDE-NVXWUHKLSA-N 1 1 289.467 3.278 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C[C@H]2CCCCO2)C2CC2)cc1 ZINC000917073911 624233186 /nfs/dbraw/zinc/23/31/86/624233186.db2.gz HOXXDDLKYTXHQW-GOSISDBHSA-N 1 1 288.435 3.286 20 10 CGCDMO COC(=O)c1cc2ccccc2c(C[N@@H+](C)CC2CC2)c1O ZINC000919942514 624434505 /nfs/dbraw/zinc/43/45/05/624434505.db2.gz VPVGNRUWYOLOMM-UHFFFAOYSA-N 1 1 299.370 3.174 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)[C@H]1CCCN(c2ccccc2)C1 ZINC000179577373 624665690 /nfs/dbraw/zinc/66/56/90/624665690.db2.gz ONYJTYKPAUSUAB-SFHVURJKSA-N 1 1 296.414 3.493 20 10 CGCDMO COc1ccccc1C[N@@H+](C)Cc1cc(F)ccc1O ZINC000179882769 624694761 /nfs/dbraw/zinc/69/47/61/624694761.db2.gz MRVHSCYGPQFRCB-UHFFFAOYSA-N 1 1 275.323 3.172 20 10 CGCDMO Cc1cccc(C[N@H+]2CCO[C@@](C)(c3ccccc3)C2)c1O ZINC000180203220 624726273 /nfs/dbraw/zinc/72/62/73/624726273.db2.gz FYJOPLLRTFFSIG-LJQANCHMSA-N 1 1 297.398 3.448 20 10 CGCDMO CN(C)c1cccc(C[N@@H+](C)Cc2cc(F)ccc2O)c1 ZINC000180245249 624730138 /nfs/dbraw/zinc/73/01/38/624730138.db2.gz JCNDCTOENGQJMK-UHFFFAOYSA-N 1 1 288.366 3.229 20 10 CGCDMO COc1cc(C)cc(C[N@@H+](C)CCC(C)C)c1O ZINC000164209570 626085662 /nfs/dbraw/zinc/08/56/62/626085662.db2.gz LKRWXCLYAHNBBI-UHFFFAOYSA-N 1 1 251.370 3.187 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)[C@H]1C ZINC000751945177 626412526 /nfs/dbraw/zinc/41/25/26/626412526.db2.gz YHIGYJPDTDKMRN-RYUDHWBXSA-N 1 1 256.349 3.171 20 10 CGCDMO CCC(=O)CC[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000753695916 626462470 /nfs/dbraw/zinc/46/24/70/626462470.db2.gz CPSHJPRTJHXEPI-UHFFFAOYSA-N 1 1 276.424 3.334 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000754739615 626585793 /nfs/dbraw/zinc/58/57/93/626585793.db2.gz FZAKXMFXSPYRTK-CVEARBPZSA-N 1 1 289.419 3.258 20 10 CGCDMO CC(C)[C@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000755921213 626660394 /nfs/dbraw/zinc/66/03/94/626660394.db2.gz NQXQHBCTIWYQAN-AWEZNQCLSA-N 1 1 270.376 3.418 20 10 CGCDMO CC(C)[N@H+](C)CCCN[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756396288 626701047 /nfs/dbraw/zinc/70/10/47/626701047.db2.gz JWBQSLVSTNHJHT-JSGCOSHPSA-N 1 1 294.414 3.400 20 10 CGCDMO CC(C)[N@@H+](C)CCCN[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756396288 626701050 /nfs/dbraw/zinc/70/10/50/626701050.db2.gz JWBQSLVSTNHJHT-JSGCOSHPSA-N 1 1 294.414 3.400 20 10 CGCDMO C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1cc(F)cc(F)c1O ZINC000756635869 626722726 /nfs/dbraw/zinc/72/27/26/626722726.db2.gz BIYZHCWOPMALBA-FSBGKCOPSA-N 1 1 299.361 3.262 20 10 CGCDMO C[C@H]([NH2+]CCNc1ccccc1)c1ccc(F)cc1O ZINC000756643322 626724048 /nfs/dbraw/zinc/72/40/48/626724048.db2.gz UDDQRSVEIHOSTC-LBPRGKRZSA-N 1 1 274.339 3.294 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CCCS1)c1cc(F)cc(F)c1O ZINC000756651188 626724805 /nfs/dbraw/zinc/72/48/05/626724805.db2.gz VHXVOKNJCQQEGL-SCZZXKLOSA-N 1 1 273.348 3.217 20 10 CGCDMO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000756735764 626728617 /nfs/dbraw/zinc/72/86/17/626728617.db2.gz HUVRGAXQRAWJNT-GWCFXTLKSA-N 1 1 295.379 3.285 20 10 CGCDMO C[C@@H]([NH2+]Cc1cccc(F)n1)c1cc(F)cc(F)c1O ZINC000756769182 626730764 /nfs/dbraw/zinc/73/07/64/626730764.db2.gz OQRATXOROSNMFK-MRVPVSSYSA-N 1 1 282.265 3.055 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)[C@@H](C)c2cccnc2)c(O)c1 ZINC000757891194 626812419 /nfs/dbraw/zinc/81/24/19/626812419.db2.gz LXVMREVAUOJOOK-ZDUSSCGKSA-N 1 1 286.375 3.379 20 10 CGCDMO Oc1ccccc1C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000758061592 626824769 /nfs/dbraw/zinc/82/47/69/626824769.db2.gz AGKMRQNCRBBBBH-QGZVFWFLSA-N 1 1 275.392 3.173 20 10 CGCDMO CC[N@@H+](CCC1CC1)Cc1cc(OC)c(OC)cc1O ZINC000760538044 626977384 /nfs/dbraw/zinc/97/73/84/626977384.db2.gz JINMJYRMSYNQAQ-UHFFFAOYSA-N 1 1 279.380 3.031 20 10 CGCDMO Cc1cccc2c1C[N@@H+](Cc1cc(F)ccc1O)CC2 ZINC000763499335 627161241 /nfs/dbraw/zinc/16/12/41/627161241.db2.gz CJIXHVBBQKZQAG-UHFFFAOYSA-N 1 1 271.335 3.398 20 10 CGCDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(C)ccc1O ZINC000768196757 627467994 /nfs/dbraw/zinc/46/79/94/627467994.db2.gz GSCYJXNBPSICLZ-UHFFFAOYSA-N 1 1 299.370 3.451 20 10 CGCDMO CCN(CC)c1ccc(C[N@@H+](CC)CCOC)cc1F ZINC000768251279 627470918 /nfs/dbraw/zinc/47/09/18/627470918.db2.gz AEBRYWWSBIXKGN-UHFFFAOYSA-N 1 1 282.403 3.140 20 10 CGCDMO CC(C)[C@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768269490 627471751 /nfs/dbraw/zinc/47/17/51/627471751.db2.gz PNQSTBUPHNMQEU-AWEZNQCLSA-N 1 1 294.414 3.139 20 10 CGCDMO CCOCC[N@@H+](CC)Cc1cc2c(cc1O)CCCC2 ZINC000768452728 627480844 /nfs/dbraw/zinc/48/08/44/627480844.db2.gz RXXNYLUXYCMRAB-UHFFFAOYSA-N 1 1 277.408 3.129 20 10 CGCDMO COC(C)(C)C[N@@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000768464157 627481291 /nfs/dbraw/zinc/48/12/91/627481291.db2.gz NVUNCVRPKNCTNF-UHFFFAOYSA-N 1 1 277.408 3.128 20 10 CGCDMO CCC(CC)[N@@H+](CCOC)Cc1c(O)cccc1OC ZINC000768600955 627488508 /nfs/dbraw/zinc/48/85/08/627488508.db2.gz HACZUIKDNLXYGQ-UHFFFAOYSA-N 1 1 281.396 3.038 20 10 CGCDMO CC[C@@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769011574 627516862 /nfs/dbraw/zinc/51/68/62/627516862.db2.gz YDCFFGPWQAYZFP-OAHLLOKOSA-N 1 1 292.398 3.037 20 10 CGCDMO CCc1nc(C[N@H+](C)Cc2cc(C)ccc2O)cs1 ZINC000769125613 627524843 /nfs/dbraw/zinc/52/48/43/627524843.db2.gz PYPXRQHMIMJBRC-UHFFFAOYSA-N 1 1 276.405 3.352 20 10 CGCDMO CCc1nc(C[N@@H+](C)Cc2cc(C)ccc2O)cs1 ZINC000769125613 627524845 /nfs/dbraw/zinc/52/48/45/627524845.db2.gz PYPXRQHMIMJBRC-UHFFFAOYSA-N 1 1 276.405 3.352 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)CCCOC(C)C)c(O)c1 ZINC000769462012 627555774 /nfs/dbraw/zinc/55/57/74/627555774.db2.gz FDXSTQGCLVXSNZ-UHFFFAOYSA-N 1 1 281.396 3.038 20 10 CGCDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000769469569 627556458 /nfs/dbraw/zinc/55/64/58/627556458.db2.gz AEVNMMGIVDYEKF-QAPCUYQASA-N 1 1 289.467 3.057 20 10 CGCDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000769469569 627556460 /nfs/dbraw/zinc/55/64/60/627556460.db2.gz AEVNMMGIVDYEKF-QAPCUYQASA-N 1 1 289.467 3.057 20 10 CGCDMO CCN1CC[C@@H]([N@H+](C)Cc2cc(C)ccc2O)C[C@@H]1C ZINC000769470734 627557269 /nfs/dbraw/zinc/55/72/69/627557269.db2.gz OIFZAEJYEJVRKX-GOEBONIOSA-N 1 1 276.424 3.005 20 10 CGCDMO CCN1CC[C@@H]([N@@H+](C)Cc2cc(C)ccc2O)C[C@@H]1C ZINC000769470734 627557271 /nfs/dbraw/zinc/55/72/71/627557271.db2.gz OIFZAEJYEJVRKX-GOEBONIOSA-N 1 1 276.424 3.005 20 10 CGCDMO CCN(C)c1ccc(C[N@@H+](CCO)C2CCCCC2)cc1 ZINC000773806413 627917226 /nfs/dbraw/zinc/91/72/26/627917226.db2.gz IAOGZJXAZGGNNV-UHFFFAOYSA-N 1 1 290.451 3.270 20 10 CGCDMO C[C@H]([NH2+]CC(C)(C)CO)c1cc(Cl)c(Cl)cc1O ZINC000774263546 627969575 /nfs/dbraw/zinc/96/95/75/627969575.db2.gz AQEUFXYLQWUHQB-QMMMGPOBSA-N 1 1 292.206 3.368 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C[C@@H]2CCC=CO2)C2CC2)cc1 ZINC000774834218 628036043 /nfs/dbraw/zinc/03/60/43/628036043.db2.gz DMNCEHCJOZNPLL-SFHVURJKSA-N 1 1 286.419 3.410 20 10 CGCDMO Cc1cccc(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c1O ZINC000775643581 628118037 /nfs/dbraw/zinc/11/80/37/628118037.db2.gz RLXZLIJSAVZFPQ-UHFFFAOYSA-N 1 1 299.370 3.104 20 10 CGCDMO CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(Cl)c2[O-])C[C@@H]1C ZINC000775715543 628128265 /nfs/dbraw/zinc/12/82/65/628128265.db2.gz GPKOUOJLSQHUGI-GXTWGEPZSA-N 1 1 296.842 3.350 20 10 CGCDMO CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(Cl)c2[O-])C[C@@H]1C ZINC000775715543 628128268 /nfs/dbraw/zinc/12/82/68/628128268.db2.gz GPKOUOJLSQHUGI-GXTWGEPZSA-N 1 1 296.842 3.350 20 10 CGCDMO CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])C[C@@H]1C ZINC000775715543 628128270 /nfs/dbraw/zinc/12/82/70/628128270.db2.gz GPKOUOJLSQHUGI-GXTWGEPZSA-N 1 1 296.842 3.350 20 10 CGCDMO CC(C)[C@H]1CC[N@H+]1Cc1cc(Br)ccc1O ZINC000775765088 628134637 /nfs/dbraw/zinc/13/46/37/628134637.db2.gz NFIONKGWRYWJNX-GFCCVEGCSA-N 1 1 284.197 3.385 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1F ZINC000779151519 628390864 /nfs/dbraw/zinc/39/08/64/628390864.db2.gz ZLKSRUSEQWRQDO-SKDRFNHKSA-N 1 1 257.736 3.226 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C[C@@H]1F ZINC000779151519 628390868 /nfs/dbraw/zinc/39/08/68/628390868.db2.gz ZLKSRUSEQWRQDO-SKDRFNHKSA-N 1 1 257.736 3.226 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](C)C3(CCC3)C2)c1 ZINC000779603835 628417925 /nfs/dbraw/zinc/41/79/25/628417925.db2.gz DZFQYCXIOSDFFG-CYBMUJFWSA-N 1 1 275.392 3.413 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2CC(C)(C)C2)c1 ZINC000783310010 628702440 /nfs/dbraw/zinc/70/24/40/628702440.db2.gz KYRBLZGHDSPIAA-LLVKDONJSA-N 1 1 291.391 3.266 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](CC[C@@H]2CCOC2)C2CC2)cc1 ZINC000783527087 628721949 /nfs/dbraw/zinc/72/19/49/628721949.db2.gz LDOFRCOJWXICPI-MRXNPFEDSA-N 1 1 288.435 3.144 20 10 CGCDMO COC[C@H](C)C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000783524570 628722044 /nfs/dbraw/zinc/72/20/44/628722044.db2.gz VCMGMFKWKFLGAV-OAHLLOKOSA-N 1 1 278.440 3.246 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)[C@@H](C)[C@H](C)O1 ZINC000783736976 628744093 /nfs/dbraw/zinc/74/40/93/628744093.db2.gz GTRPNNIQGPATMV-VWYCJHECSA-N 1 1 269.772 3.043 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)[C@@H](C)[C@H](C)O1 ZINC000783736976 628744094 /nfs/dbraw/zinc/74/40/94/628744094.db2.gz GTRPNNIQGPATMV-VWYCJHECSA-N 1 1 269.772 3.043 20 10 CGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCc3ncsc3C2)c1O ZINC000783742981 628744723 /nfs/dbraw/zinc/74/47/23/628744723.db2.gz CVDPLTGPAAVTPF-UHFFFAOYSA-N 1 1 294.807 3.369 20 10 CGCDMO Cc1cc(Cl)cc(C[N@H+]2CCc3ncsc3C2)c1O ZINC000783742981 628744724 /nfs/dbraw/zinc/74/47/24/628744724.db2.gz CVDPLTGPAAVTPF-UHFFFAOYSA-N 1 1 294.807 3.369 20 10 CGCDMO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788757367 629079738 /nfs/dbraw/zinc/07/97/38/629079738.db2.gz LDNLDKZTKWTVFZ-GUBZILKMSA-N 1 1 291.313 3.485 20 10 CGCDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(C)cn2)c(O)c1 ZINC000789594890 629149584 /nfs/dbraw/zinc/14/95/84/629149584.db2.gz OUNDITSHJDAXAD-UHFFFAOYSA-N 1 1 286.375 3.126 20 10 CGCDMO CCOc1ccc(O)c(C[N@H+]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000790930550 629241241 /nfs/dbraw/zinc/24/12/41/629241241.db2.gz FAUJMCMQZOEBKL-INIZCTEOSA-N 1 1 293.407 3.038 20 10 CGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCOCC1CCC1 ZINC000790990002 629247630 /nfs/dbraw/zinc/24/76/30/629247630.db2.gz HNNCANXHJGBUHJ-UHFFFAOYSA-N 1 1 287.762 3.091 20 10 CGCDMO CCO[C@H]1CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862212290 629323655 /nfs/dbraw/zinc/32/36/55/629323655.db2.gz NUSAREOFOZXFCW-ZDUSSCGKSA-N 1 1 298.377 3.032 20 10 CGCDMO CCO[C@H]1CCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862212290 629323666 /nfs/dbraw/zinc/32/36/66/629323666.db2.gz NUSAREOFOZXFCW-ZDUSSCGKSA-N 1 1 298.377 3.032 20 10 CGCDMO CN(C)c1cc(F)c(C[N@@H+](C)C2CCC2)cc1F ZINC000862245940 629329349 /nfs/dbraw/zinc/32/93/49/629329349.db2.gz CHTUXJXZCRUOPR-UHFFFAOYSA-N 1 1 254.324 3.015 20 10 CGCDMO CO[C@@H]1CCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862314940 629342319 /nfs/dbraw/zinc/34/23/19/629342319.db2.gz MZNVEVVKBJFMSL-CYBMUJFWSA-N 1 1 298.377 3.032 20 10 CGCDMO C[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)[C@H]1C ZINC000792171093 629344057 /nfs/dbraw/zinc/34/40/57/629344057.db2.gz YCYTUOKUXQFPCZ-BDAKNGLRSA-N 1 1 257.736 3.415 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)[C@H]1C ZINC000792171093 629344062 /nfs/dbraw/zinc/34/40/62/629344062.db2.gz YCYTUOKUXQFPCZ-BDAKNGLRSA-N 1 1 257.736 3.415 20 10 CGCDMO CC(C)CC[C@@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000862481618 629385251 /nfs/dbraw/zinc/38/52/51/629385251.db2.gz YZMGBUYRTSTOSP-NSHDSACASA-N 1 1 289.778 3.071 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1Cl ZINC000862482554 629385952 /nfs/dbraw/zinc/38/59/52/629385952.db2.gz JNPCHUYZNUJEBX-CYBMUJFWSA-N 1 1 296.842 3.176 20 10 CGCDMO Cc1cc([O-])c(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1Cl ZINC000862482554 629385961 /nfs/dbraw/zinc/38/59/61/629385961.db2.gz JNPCHUYZNUJEBX-CYBMUJFWSA-N 1 1 296.842 3.176 20 10 CGCDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(F)ccc1O ZINC000793231036 629433180 /nfs/dbraw/zinc/43/31/80/629433180.db2.gz JMPKZKMJGYSETK-KCJUWKMLSA-N 1 1 277.261 3.304 20 10 CGCDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2cnccc2C)c1 ZINC000793339349 629445022 /nfs/dbraw/zinc/44/50/22/629445022.db2.gz IUPQOHDAFQBGNO-UHFFFAOYSA-N 1 1 286.375 3.126 20 10 CGCDMO COc1cccc(CCC[N@H+](C)c2ccc(N)cc2)c1 ZINC000863557013 629605516 /nfs/dbraw/zinc/60/55/16/629605516.db2.gz GPDPPBVJFPTGLX-UHFFFAOYSA-N 1 1 270.376 3.346 20 10 CGCDMO COc1cccc(CCC[N@@H+](C)c2ccc(N)cc2)c1 ZINC000863557013 629605527 /nfs/dbraw/zinc/60/55/27/629605527.db2.gz GPDPPBVJFPTGLX-UHFFFAOYSA-N 1 1 270.376 3.346 20 10 CGCDMO CC1=C(C)C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000796021802 629736514 /nfs/dbraw/zinc/73/65/14/629736514.db2.gz WDRDIUFMMTZKQW-UHFFFAOYSA-N 1 1 286.419 3.065 20 10 CGCDMO C[C@H]1CSC[C@@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000796482029 629788838 /nfs/dbraw/zinc/78/88/38/629788838.db2.gz JXOLVIYQZRHKIH-XVKPBYJWSA-N 1 1 275.776 3.026 20 10 CGCDMO CC[C@H]([NH2+]CCOCC(F)(F)F)c1ccc(F)cc1O ZINC000796716680 629818870 /nfs/dbraw/zinc/81/88/70/629818870.db2.gz MQXDDPMOHOTDEX-NSHDSACASA-N 1 1 295.276 3.151 20 10 CGCDMO CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCOC1)c1ccc(F)cc1O ZINC000796796740 629836246 /nfs/dbraw/zinc/83/62/46/629836246.db2.gz RBSGONUZSZFWHO-HUBLWGQQSA-N 1 1 281.371 3.387 20 10 CGCDMO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCOC1)c1ccc(F)cc1O ZINC000796931206 629860004 /nfs/dbraw/zinc/86/00/04/629860004.db2.gz ODDZVTGJFIAXLO-JMSVASOKSA-N 1 1 281.371 3.387 20 10 CGCDMO CC[C@H]([NH2+][C@H](CO)c1ccsc1)c1ccc(F)cc1O ZINC000796945350 629863538 /nfs/dbraw/zinc/86/35/38/629863538.db2.gz PMFNPCCVXLYELL-UONOGXRCSA-N 1 1 295.379 3.367 20 10 CGCDMO CCCN1CCC[C@H]1C[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000797115074 629890899 /nfs/dbraw/zinc/89/08/99/629890899.db2.gz LTROTAAQAQQYDL-GOEBONIOSA-N 1 1 294.414 3.446 20 10 CGCDMO CSCCC[N@@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000799162219 630151340 /nfs/dbraw/zinc/15/13/40/630151340.db2.gz OICBVMMSGAUCEM-UHFFFAOYSA-N 1 1 265.422 3.066 20 10 CGCDMO CC(C)COCC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000800334766 630266387 /nfs/dbraw/zinc/26/63/87/630266387.db2.gz GALPYYLONVIKIS-UHFFFAOYSA-N 1 1 290.451 3.390 20 10 CGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(C)cc(C)c2O)CC1(C)C ZINC000840123001 630604928 /nfs/dbraw/zinc/60/49/28/630604928.db2.gz GHAVZOYOYPLYMG-OAHLLOKOSA-N 1 1 277.408 3.256 20 10 CGCDMO CCOC1CC([N@@H+](C)Cc2cc(C)cc(C)c2O)C1 ZINC000808212908 630630662 /nfs/dbraw/zinc/63/06/62/630630662.db2.gz ABPJCDUSRTYYKA-UHFFFAOYSA-N 1 1 263.381 3.008 20 10 CGCDMO CC[C@@H]([NH2+]CCC1(COC)CC1)c1ccc(F)cc1O ZINC000842891316 635505226 /nfs/dbraw/zinc/50/52/26/635505226.db2.gz SYHWAKWDIQDIML-CQSZACIVSA-N 1 1 281.371 3.389 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CC(C)(C)[C@H]2C2CC2)cc1 ZINC000811513233 631080997 /nfs/dbraw/zinc/08/09/97/631080997.db2.gz DWUBGSQZDOXGEN-MRXNPFEDSA-N 1 1 258.409 3.373 20 10 CGCDMO CC[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)[C@@H]1CCOC1 ZINC000812297303 631235993 /nfs/dbraw/zinc/23/59/93/631235993.db2.gz YZVWKPKRXWAOKC-CQSZACIVSA-N 1 1 293.407 3.006 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCc2sccc2C1 ZINC000876559306 634856418 /nfs/dbraw/zinc/85/64/18/634856418.db2.gz XOVXPIYGCJIJMZ-UHFFFAOYSA-N 1 1 259.374 3.320 20 10 CGCDMO CC[C@H]1CC[N@@H+]1Cc1cccc(Br)c1O ZINC000814178825 631539671 /nfs/dbraw/zinc/53/96/71/631539671.db2.gz DWMSGCZRKLZDDR-JTQLQIEISA-N 1 1 270.170 3.139 20 10 CGCDMO CC[C@H]1CC[N@H+]1Cc1cccc(Br)c1O ZINC000814178825 631539675 /nfs/dbraw/zinc/53/96/75/631539675.db2.gz DWMSGCZRKLZDDR-JTQLQIEISA-N 1 1 270.170 3.139 20 10 CGCDMO CO[C@@H](C)C[N@@H+](Cc1ccc(N(C)C)c(C)c1)C(C)C ZINC000815052795 631708066 /nfs/dbraw/zinc/70/80/66/631708066.db2.gz APVPVRUPQKFMAD-HNNXBMFYSA-N 1 1 278.440 3.306 20 10 CGCDMO Cc1cccc(C[N@H+](C)Cc2ccc(N(C)C)c(C)c2)n1 ZINC000815071618 631711373 /nfs/dbraw/zinc/71/13/73/631711373.db2.gz NHBUAUXAHQKNIN-UHFFFAOYSA-N 1 1 283.419 3.396 20 10 CGCDMO Cc1cc(C[N@@H+]2CCc3ncsc3C2)ccc1N(C)C ZINC000815099351 631716833 /nfs/dbraw/zinc/71/68/33/631716833.db2.gz HDFXTAXBDNQMQI-UHFFFAOYSA-N 1 1 287.432 3.076 20 10 CGCDMO Cc1cc(C[N@H+]2CCc3ncsc3C2)ccc1N(C)C ZINC000815099351 631716836 /nfs/dbraw/zinc/71/68/36/631716836.db2.gz HDFXTAXBDNQMQI-UHFFFAOYSA-N 1 1 287.432 3.076 20 10 CGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](OC)C[C@@H]2C)cc1 ZINC000815107956 631719136 /nfs/dbraw/zinc/71/91/36/631719136.db2.gz PTIQVKBVZHPGNQ-YOEHRIQHSA-N 1 1 276.424 3.142 20 10 CGCDMO C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@H](C)O1 ZINC000816478007 631986838 /nfs/dbraw/zinc/98/68/38/631986838.db2.gz QXJDQYWLJOFJOP-BETUJISGSA-N 1 1 271.360 3.155 20 10 CGCDMO C[C@H]1C[C@H](C)[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816514680 632000399 /nfs/dbraw/zinc/00/03/99/632000399.db2.gz FJGZLCLVDUSYRG-IUCAKERBSA-N 1 1 257.736 3.415 20 10 CGCDMO C[C@H]1C[C@H](C)[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816514680 632000407 /nfs/dbraw/zinc/00/04/07/632000407.db2.gz FJGZLCLVDUSYRG-IUCAKERBSA-N 1 1 257.736 3.415 20 10 CGCDMO C[C@H]1C[C@H](C)[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816514680 632000416 /nfs/dbraw/zinc/00/04/16/632000416.db2.gz FJGZLCLVDUSYRG-IUCAKERBSA-N 1 1 257.736 3.415 20 10 CGCDMO CC(C)[C@@H]1CC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816528254 632004041 /nfs/dbraw/zinc/00/40/41/632004041.db2.gz SYXNRBZIWTVLJI-LBPRGKRZSA-N 1 1 257.736 3.415 20 10 CGCDMO CC(C)[C@@H]1CC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816528254 632004044 /nfs/dbraw/zinc/00/40/44/632004044.db2.gz SYXNRBZIWTVLJI-LBPRGKRZSA-N 1 1 257.736 3.415 20 10 CGCDMO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816549103 632008629 /nfs/dbraw/zinc/00/86/29/632008629.db2.gz DKVIELYNZMKFAH-LKFCYVNXSA-N 1 1 289.778 3.071 20 10 CGCDMO Oc1c(C[N@@H+]2CCO[C@H](C(F)F)C2)ccc2ccccc21 ZINC000816600329 632021101 /nfs/dbraw/zinc/02/11/01/632021101.db2.gz TVWSRSCRDXMWRA-AWEZNQCLSA-N 1 1 293.313 3.011 20 10 CGCDMO Oc1c(C[N@H+]2CCO[C@H](C(F)F)C2)ccc2ccccc21 ZINC000816600329 632021107 /nfs/dbraw/zinc/02/11/07/632021107.db2.gz TVWSRSCRDXMWRA-AWEZNQCLSA-N 1 1 293.313 3.011 20 10 CGCDMO C[C@H]1CSC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816609310 632022836 /nfs/dbraw/zinc/02/28/36/632022836.db2.gz XMBUIURXGDZJEI-CPCISQLKSA-N 1 1 275.776 3.026 20 10 CGCDMO Cc1ccc(O)c(CN2CC[N@H+](C)Cc3ccccc32)c1 ZINC000816618082 632024342 /nfs/dbraw/zinc/02/43/42/632024342.db2.gz OMSAIGOJPOSGHF-UHFFFAOYSA-N 1 1 282.387 3.153 20 10 CGCDMO COc1ccc(O)c(C[N@@H+](C)C2CC(OC(C)(C)C)C2)c1 ZINC000817415902 632147143 /nfs/dbraw/zinc/14/71/43/632147143.db2.gz AFNSTMDCLMAEKV-UHFFFAOYSA-N 1 1 293.407 3.179 20 10 CGCDMO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccc2c(c1)CCO2 ZINC000817902581 632233219 /nfs/dbraw/zinc/23/32/19/632233219.db2.gz UNHGCQGAFKBHOA-PBHICJAKSA-N 1 1 288.435 3.022 20 10 CGCDMO C[NH2+]CCCN[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817942037 632240815 /nfs/dbraw/zinc/24/08/15/632240815.db2.gz XCEDDHSENKHNSW-INIZCTEOSA-N 1 1 289.467 3.327 20 10 CGCDMO CC(C)(N)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000817960799 632256328 /nfs/dbraw/zinc/25/63/28/632256328.db2.gz QLUQGFYGFJQEDW-QGZVFWFLSA-N 1 1 298.430 3.393 20 10 CGCDMO C[C@H](N[C@@H](C[NH3+])C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000817960595 632256506 /nfs/dbraw/zinc/25/65/06/632256506.db2.gz OAPNFNNBXFGDMZ-KSSFIOAISA-N 1 1 287.451 3.065 20 10 CGCDMO C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817961491 632257962 /nfs/dbraw/zinc/25/79/62/632257962.db2.gz ZUDNWFIPRMRCLY-WRWORJQWSA-N 1 1 289.206 3.087 20 10 CGCDMO [O-]c1ccccc1C[N@H+](CC1CC[NH2+]CC1)C1CCCC1 ZINC000823602672 633125577 /nfs/dbraw/zinc/12/55/77/633125577.db2.gz QEWRFXKKWNJTBC-UHFFFAOYSA-N 1 1 288.435 3.136 20 10 CGCDMO [O-]c1ccccc1C[N@@H+](CC1CC[NH2+]CC1)C1CCCC1 ZINC000823602672 633125582 /nfs/dbraw/zinc/12/55/82/633125582.db2.gz QEWRFXKKWNJTBC-UHFFFAOYSA-N 1 1 288.435 3.136 20 10 CGCDMO CC[C@@H]([NH2+]CCC(C)(C)OC)c1ccc(F)cc1O ZINC000866505996 633165714 /nfs/dbraw/zinc/16/57/14/633165714.db2.gz YTXLEEBTWRNXIE-CYBMUJFWSA-N 1 1 269.360 3.387 20 10 CGCDMO CC[C@@H]([NH2+]Cc1cc(Br)ccc1O)C(F)F ZINC000824508176 633251681 /nfs/dbraw/zinc/25/16/81/633251681.db2.gz BGCGDNQTFQSLRJ-SECBINFHSA-N 1 1 294.139 3.288 20 10 CGCDMO Cn1ncc(C2CCC2)c1C[N@@H+](C)Cc1ccccc1O ZINC000824594119 633262139 /nfs/dbraw/zinc/26/21/39/633262139.db2.gz ZNJMGNNKZLVSML-UHFFFAOYSA-N 1 1 285.391 3.025 20 10 CGCDMO CC[C@H](C)[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)OC ZINC000824596996 633263574 /nfs/dbraw/zinc/26/35/74/633263574.db2.gz NCTGWRAACBONAG-ZANVPECISA-N 1 1 289.778 3.335 20 10 CGCDMO CO[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@H]1C ZINC000824815447 633293967 /nfs/dbraw/zinc/29/39/67/633293967.db2.gz PHADIHVQVBZQIB-RNCFNFMXSA-N 1 1 287.762 3.042 20 10 CGCDMO CO[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@H]1C ZINC000824815447 633293978 /nfs/dbraw/zinc/29/39/78/633293978.db2.gz PHADIHVQVBZQIB-RNCFNFMXSA-N 1 1 287.762 3.042 20 10 CGCDMO COc1cccc2c1C[N@H+](Cc1cccc(F)c1O)CC2 ZINC000824983318 633314805 /nfs/dbraw/zinc/31/48/05/633314805.db2.gz UIAJCOHYRSYXRC-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO COc1cccc2c1C[N@@H+](Cc1cccc(F)c1O)CC2 ZINC000824983318 633314808 /nfs/dbraw/zinc/31/48/08/633314808.db2.gz UIAJCOHYRSYXRC-UHFFFAOYSA-N 1 1 287.334 3.098 20 10 CGCDMO C[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)c2nccn21 ZINC000825017553 633318956 /nfs/dbraw/zinc/31/89/56/633318956.db2.gz ULSHAYKUZVPOCN-CABZTGNLSA-N 1 1 277.755 3.038 20 10 CGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000825215257 633335790 /nfs/dbraw/zinc/33/57/90/633335790.db2.gz JFVGHCVBELQWSU-INIZCTEOSA-N 1 1 293.432 3.120 20 10 CGCDMO Cc1cc([O-])c(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1Cl ZINC000825325530 633345700 /nfs/dbraw/zinc/34/57/00/633345700.db2.gz GZDVIARCLVAYAI-KGLIPLIRSA-N 1 1 296.842 3.316 20 10 CGCDMO CC1(C)C[N@H+](Cc2cc(Cl)c(F)cc2O)[C@@H]2COC[C@@H]21 ZINC000825331664 633347120 /nfs/dbraw/zinc/34/71/20/633347120.db2.gz KMMJKUXYDPLGHD-GXFFZTMASA-N 1 1 299.773 3.042 20 10 CGCDMO CC1(C)C[N@@H+](Cc2cc(Cl)c(F)cc2O)[C@@H]2COC[C@@H]21 ZINC000825331664 633347121 /nfs/dbraw/zinc/34/71/21/633347121.db2.gz KMMJKUXYDPLGHD-GXFFZTMASA-N 1 1 299.773 3.042 20 10 CGCDMO CCCC[N@@H+](Cc1cnc2n1CCC2)Cc1ccccc1O ZINC000825788297 633382083 /nfs/dbraw/zinc/38/20/83/633382083.db2.gz DKBIFNKYJGEAGF-UHFFFAOYSA-N 1 1 299.418 3.337 20 10 CGCDMO COCCCC[N@@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000826130064 633407155 /nfs/dbraw/zinc/40/71/55/633407155.db2.gz DNOMVMCFGHOKJE-UHFFFAOYSA-N 1 1 271.788 3.212 20 10 CGCDMO C[C@]12COC[C@H]1C[N@@H+](Cc1ccc3ccccc3c1O)C2 ZINC000827284949 633477923 /nfs/dbraw/zinc/47/79/23/633477923.db2.gz WZDFZJHZOVXGCH-QAPCUYQASA-N 1 1 283.371 3.014 20 10 CGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)cc1 ZINC000827281019 633478616 /nfs/dbraw/zinc/47/86/16/633478616.db2.gz HVOOUMKCEGOQKM-FUHWJXTLSA-N 1 1 288.435 3.001 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000827507289 633495357 /nfs/dbraw/zinc/49/53/57/633495357.db2.gz WZEPENOFYJPLDE-QWRGUYRKSA-N 1 1 296.208 3.305 20 10 CGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000827507289 633495361 /nfs/dbraw/zinc/49/53/61/633495361.db2.gz WZEPENOFYJPLDE-QWRGUYRKSA-N 1 1 296.208 3.305 20 10 CGCDMO CCC[N@@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000827583257 633500985 /nfs/dbraw/zinc/50/09/85/633500985.db2.gz GDLOYJLYYHDIJN-UHFFFAOYSA-N 1 1 276.424 3.144 20 10 CGCDMO C[N@@H+](CC1=CCSC1)Cc1cc(Cl)c(F)cc1[O-] ZINC000827812653 633520681 /nfs/dbraw/zinc/52/06/81/633520681.db2.gz SZUHYDFGKUZJQR-UHFFFAOYSA-N 1 1 287.787 3.290 20 10 CGCDMO C[N@H+](CC1=CCSC1)Cc1cc(Cl)c(F)cc1O ZINC000827812653 633520684 /nfs/dbraw/zinc/52/06/84/633520684.db2.gz SZUHYDFGKUZJQR-UHFFFAOYSA-N 1 1 287.787 3.290 20 10 CGCDMO C[N@@H+](CC1=CCSC1)Cc1cc(Cl)c(F)cc1O ZINC000827812653 633520687 /nfs/dbraw/zinc/52/06/87/633520687.db2.gz SZUHYDFGKUZJQR-UHFFFAOYSA-N 1 1 287.787 3.290 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1cc(Cl)c(Cl)cc1O ZINC000872126604 634049025 /nfs/dbraw/zinc/04/90/25/634049025.db2.gz MOWSWLYRDQRNCW-CIUDSAMLSA-N 1 1 290.190 3.121 20 10 CGCDMO Cn1nccc1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000124086471 634145888 /nfs/dbraw/zinc/14/58/88/634145888.db2.gz BIUMOPFLJFKCAR-UHFFFAOYSA-N 1 1 285.391 3.071 20 10 CGCDMO C[C@@H]([NH2+]CCN1CCCC1(C)C)c1ccc(F)cc1O ZINC000834908580 634283273 /nfs/dbraw/zinc/28/32/73/634283273.db2.gz GHEHMQZUTQQIQW-GFCCVEGCSA-N 1 1 280.387 3.056 20 10 CGCDMO C[N@@H+](CCCCCC[NH3+])Cc1cc(Cl)cc(F)c1[O-] ZINC000873231899 634294568 /nfs/dbraw/zinc/29/45/68/634294568.db2.gz YDCRDDTXNYKWGC-UHFFFAOYSA-N 1 1 288.794 3.136 20 10 CGCDMO C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Cl)ccc1[O-] ZINC000873265718 634310905 /nfs/dbraw/zinc/31/09/05/634310905.db2.gz XDHRXKAHDGLKRV-VTPLQMEGSA-N 1 1 294.826 3.227 20 10 CGCDMO CC[NH+](CC)C[C@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835038506 634328620 /nfs/dbraw/zinc/32/86/20/634328620.db2.gz SZIHWVBKTJAPLP-QWGSZXSUSA-N 1 1 289.467 3.086 20 10 CGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@](C)(O)CC2)cc1 ZINC000835055135 634339715 /nfs/dbraw/zinc/33/97/15/634339715.db2.gz VDQJXPCYMMNGHU-WLPBJKJWSA-N 1 1 288.435 3.003 20 10 CGCDMO CCC(C)(C)OCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000835085110 634349720 /nfs/dbraw/zinc/34/97/20/634349720.db2.gz LNTRVGWYRSORDH-UHFFFAOYSA-N 1 1 289.778 3.480 20 10 CGCDMO Cc1ccc(C[N@@H+](C)Cc2ccccc2O)c(O)c1 ZINC000876615291 634868811 /nfs/dbraw/zinc/86/88/11/634868811.db2.gz AGQGKHZMEVGROQ-UHFFFAOYSA-N 1 1 257.333 3.038 20 10 CGCDMO CC[N@@H+](Cc1ccccn1)Cc1ccc(C)cc1O ZINC000876725982 634886531 /nfs/dbraw/zinc/88/65/31/634886531.db2.gz SBLXLKJKEYNHNT-UHFFFAOYSA-N 1 1 256.349 3.118 20 10 CGCDMO Cc1cccc(C[N@H+](C)Cc2c(C)cccc2O)n1 ZINC000876765051 634895838 /nfs/dbraw/zinc/89/58/38/634895838.db2.gz YOBBTDIHDVLSSK-UHFFFAOYSA-N 1 1 256.349 3.036 20 10 CGCDMO CC[N@@H+](CCc1nccs1)Cc1ccc(C)cc1O ZINC000876776606 634898530 /nfs/dbraw/zinc/89/85/30/634898530.db2.gz FVBTXHFHJAFALG-UHFFFAOYSA-N 1 1 276.405 3.222 20 10 CGCDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840915121 635081444 /nfs/dbraw/zinc/08/14/44/635081444.db2.gz KLAWVKAERLKUPW-INIZCTEOSA-N 1 1 290.451 3.310 20 10 CGCDMO CC[C@H](CNCc1ccc(N(C)C)cc1C)[NH+]1CCCC1 ZINC000840929680 635084077 /nfs/dbraw/zinc/08/40/77/635084077.db2.gz VAQSHHDZOHQWGP-QGZVFWFLSA-N 1 1 289.467 3.025 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@]3(CCOC3)C2)c(Cl)c1 ZINC000840949813 635091294 /nfs/dbraw/zinc/09/12/94/635091294.db2.gz CHEYBTCRIWKQOQ-MRXNPFEDSA-N 1 1 295.810 3.357 20 10 CGCDMO CC[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@@H](O)C(C)C ZINC000840967567 635096240 /nfs/dbraw/zinc/09/62/40/635096240.db2.gz HRWZYCVZGYOPRK-FZMZJTMJSA-N 1 1 289.778 3.070 20 10 CGCDMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCSC3)C2)c(O)c1 ZINC000877575192 635099338 /nfs/dbraw/zinc/09/93/38/635099338.db2.gz JZOIFHPOXUDROO-MRXNPFEDSA-N 1 1 277.433 3.420 20 10 CGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000877603023 635107493 /nfs/dbraw/zinc/10/74/93/635107493.db2.gz CANUCXPBLFKODE-GOEBONIOSA-N 1 1 275.392 3.092 20 10 CGCDMO CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000841020558 635108595 /nfs/dbraw/zinc/10/85/95/635108595.db2.gz YRLBCTOTXTVSHA-JKSUJKDBSA-N 1 1 290.451 3.382 20 10 CGCDMO CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000841020558 635108597 /nfs/dbraw/zinc/10/85/97/635108597.db2.gz YRLBCTOTXTVSHA-JKSUJKDBSA-N 1 1 290.451 3.382 20 10 CGCDMO C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000841029305 635109226 /nfs/dbraw/zinc/10/92/26/635109226.db2.gz PDODMHFPCCHWDL-NSHDSACASA-N 1 1 290.794 3.355 20 10 CGCDMO COc1ccc(CN[C@@H](C[NH3+])C2CCCCC2)cc1C ZINC000841039666 635112262 /nfs/dbraw/zinc/11/22/62/635112262.db2.gz YMCAHHVBHBNGGE-INIZCTEOSA-N 1 1 276.424 3.001 20 10 CGCDMO CN(C)c1ccc(/C=C/CN[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000841088750 635119935 /nfs/dbraw/zinc/11/99/35/635119935.db2.gz CBDLEIABCQFALN-NJELEJDNSA-N 1 1 299.462 3.030 20 10 CGCDMO COCc1csc(C[N@H+]2Cc3cccc(O)c3C2)c1 ZINC000877702786 635153879 /nfs/dbraw/zinc/15/38/79/635153879.db2.gz HPMRGBPELSYGAP-UHFFFAOYSA-N 1 1 275.373 3.116 20 10 CGCDMO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1ccc(Cl)cc1O ZINC000841761235 635232727 /nfs/dbraw/zinc/23/27/27/635232727.db2.gz XIRPUGZUTJGZJE-ZETOZRRWSA-N 1 1 294.826 3.179 20 10 CGCDMO Cc1conc1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000877976098 635302960 /nfs/dbraw/zinc/30/29/60/635302960.db2.gz FVLZQVRVBKSWED-UHFFFAOYSA-N 1 1 287.407 3.460 20 10 CGCDMO Cc1conc1C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000877976098 635302973 /nfs/dbraw/zinc/30/29/73/635302973.db2.gz FVLZQVRVBKSWED-UHFFFAOYSA-N 1 1 287.407 3.460 20 10 CGCDMO C[NH2+]CCC1CC[NH+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000843057115 635553006 /nfs/dbraw/zinc/55/30/06/635553006.db2.gz BMIKRLZPIQLZPS-UHFFFAOYSA-N 1 1 296.842 3.176 20 10 CGCDMO Nc1ccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)cn1 ZINC000843063341 635555112 /nfs/dbraw/zinc/55/51/12/635555112.db2.gz RVTVTDPQXQXVIX-UHFFFAOYSA-N 1 1 297.402 3.314 20 10 CGCDMO Cc1cccc(C[N@@H+]2C[C@H](C)OC3(CCCC3)C2)c1O ZINC000843435666 635676181 /nfs/dbraw/zinc/67/61/81/635676181.db2.gz XCVJDLBNSNPABC-AWEZNQCLSA-N 1 1 275.392 3.234 20 10 CGCDMO Cc1cc(O)c(C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1C ZINC000844757633 635959393 /nfs/dbraw/zinc/95/93/93/635959393.db2.gz FUEOPXKTADYUAT-AWEZNQCLSA-N 1 1 267.319 3.240 20 10 CGCDMO C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc2ccccc2c1[O-] ZINC000844921518 635984354 /nfs/dbraw/zinc/98/43/54/635984354.db2.gz KMUYXUOQFLJPCE-ZDUSSCGKSA-N 1 1 284.403 3.325 20 10 CGCDMO COc1ccc(O)c(C[N@H+]2CCCC(C)(C)CC2)c1 ZINC000211495459 636091486 /nfs/dbraw/zinc/09/14/86/636091486.db2.gz ALIVCEMVFSGZCZ-UHFFFAOYSA-N 1 1 263.381 3.413 20 10 CGCDMO COC1(C[NH2+]Cc2cc(F)cc(F)c2O)CCCCC1 ZINC000883091503 636538738 /nfs/dbraw/zinc/53/87/38/636538738.db2.gz PEAWYSPPAJRBRT-UHFFFAOYSA-N 1 1 285.334 3.109 20 10 CGCDMO C[C@]1(CC[NH2+]Cc2cc(F)cc(F)c2O)CC1(F)F ZINC000883174506 636565912 /nfs/dbraw/zinc/56/59/12/636565912.db2.gz LXDIRDWKNQVRTA-LBPRGKRZSA-N 1 1 277.261 3.195 20 10 CGCDMO Cc1ccc([C@@H](C)[NH2+]C2(c3ncccn3)CCC2)c(O)c1 ZINC000883311664 636662559 /nfs/dbraw/zinc/66/25/59/636662559.db2.gz IJHHWHBBHSUGBA-CYBMUJFWSA-N 1 1 283.375 3.221 20 10 CGCDMO CCc1cccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1O ZINC000848882200 636671874 /nfs/dbraw/zinc/67/18/74/636671874.db2.gz MVUDWVXDSBOPLN-OAHLLOKOSA-N 1 1 285.391 3.057 20 10 CGCDMO CCc1cccc(CN2CCC[N@H+](C(C)(C)C)CC2)c1O ZINC000848883008 636672303 /nfs/dbraw/zinc/67/23/03/636672303.db2.gz HACQBTNFBPCYBJ-UHFFFAOYSA-N 1 1 290.451 3.261 20 10 CGCDMO CCc1cccc(C[N@@H+]2CCCN(C(C)(C)C)CC2)c1O ZINC000848883008 636672311 /nfs/dbraw/zinc/67/23/11/636672311.db2.gz HACQBTNFBPCYBJ-UHFFFAOYSA-N 1 1 290.451 3.261 20 10 CGCDMO CCc1cccc(C[N@H+]2CCCN(C(C)(C)C)CC2)c1O ZINC000848883008 636672318 /nfs/dbraw/zinc/67/23/18/636672318.db2.gz HACQBTNFBPCYBJ-UHFFFAOYSA-N 1 1 290.451 3.261 20 10 CGCDMO CCc1cccc(C[N@H+]2CCOc3ccccc3C2)c1O ZINC000848883753 636673333 /nfs/dbraw/zinc/67/33/33/636673333.db2.gz SIIYDKQBIPTQIQ-UHFFFAOYSA-N 1 1 283.371 3.349 20 10 CGCDMO CCc1cccc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1O ZINC000848889823 636677877 /nfs/dbraw/zinc/67/78/77/636677877.db2.gz MVPGTWRSCNELEL-WMLDXEAASA-N 1 1 299.418 3.234 20 10 CGCDMO CCc1cccc(C[N@@H+](C)CCc2ccncc2)c1O ZINC000848901914 636682742 /nfs/dbraw/zinc/68/27/42/636682742.db2.gz GEQKGLBHORNDHF-UHFFFAOYSA-N 1 1 270.376 3.024 20 10 CGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2CC(C)(C)C2)c1 ZINC000850576097 637130827 /nfs/dbraw/zinc/13/08/27/637130827.db2.gz GZSLCKRTQKVXPW-SNVBAGLBSA-N 1 1 277.364 3.018 20 10 CGCDMO Oc1cccc(Cl)c1C[NH2+]Cc1cc(C2CC2)no1 ZINC000886272701 637477626 /nfs/dbraw/zinc/47/76/26/637477626.db2.gz ZGIKFMXBAJTALU-UHFFFAOYSA-N 1 1 278.739 3.201 20 10 CGCDMO CCC[N@@H+](CCO[C@@H]1CC1(F)F)Cc1ccccc1O ZINC000851792090 637505379 /nfs/dbraw/zinc/50/53/79/637505379.db2.gz KJOOCJMOUFKUDT-CQSZACIVSA-N 1 1 285.334 3.028 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1c(O)cccc1F ZINC000886522736 637550728 /nfs/dbraw/zinc/55/07/28/637550728.db2.gz PZXWGYKLXMXBRG-IAQYHMDHSA-N 1 1 281.371 3.123 20 10 CGCDMO C[C@@H]([NH2+]Cc1cccc(N(C)C)c1)c1c(O)cccc1F ZINC000886523248 637551654 /nfs/dbraw/zinc/55/16/54/637551654.db2.gz ZHDJQDVZMFCELJ-GFCCVEGCSA-N 1 1 288.366 3.448 20 10 CGCDMO COc1ccc(C[NH2+][C@@H](C)c2c(O)cccc2F)cc1O ZINC000886520739 637551818 /nfs/dbraw/zinc/55/18/18/637551818.db2.gz LTRQPFJAHRIVCN-JTQLQIEISA-N 1 1 291.322 3.096 20 10 CGCDMO Cc1ncsc1C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886524219 637553115 /nfs/dbraw/zinc/55/31/15/637553115.db2.gz GJPDMHDRIKROIA-SECBINFHSA-N 1 1 266.341 3.147 20 10 CGCDMO CCC(O)(CC)CC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886599374 637598239 /nfs/dbraw/zinc/59/82/39/637598239.db2.gz XNDBWLQFEBVFDK-NSHDSACASA-N 1 1 269.360 3.123 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCS[C@H]1C)c1c(O)cccc1F ZINC000886631324 637617917 /nfs/dbraw/zinc/61/79/17/637617917.db2.gz KDTGAVXEYVLJCV-QXEWZRGKSA-N 1 1 255.358 3.076 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1c(O)cccc1F ZINC000886631323 637618072 /nfs/dbraw/zinc/61/80/72/637618072.db2.gz KDTGAVXEYVLJCV-NGZCFLSTSA-N 1 1 255.358 3.076 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCCN2CCCC[C@@H]12)c1c(O)cccc1F ZINC000886634904 637621255 /nfs/dbraw/zinc/62/12/55/637621255.db2.gz QAJPAAIWMNXXOC-QEJZJMRPSA-N 1 1 292.398 3.199 20 10 CGCDMO C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1c(O)cccc1F ZINC000886636137 637621422 /nfs/dbraw/zinc/62/14/22/637621422.db2.gz GPZDJSXNBABEQF-NEPJUHHUSA-N 1 1 280.387 3.055 20 10 CGCDMO C[C@H]([NH2+][C@@H]1CC(C)(C)CC[C@H]1O)c1c(O)cccc1F ZINC000886645431 637626267 /nfs/dbraw/zinc/62/62/67/637626267.db2.gz ZDKMQRAIKHXEKY-CYZMBNFOSA-N 1 1 281.371 3.122 20 10 CGCDMO C[C@@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1ccc(F)cc1O ZINC000886701483 637663758 /nfs/dbraw/zinc/66/37/58/637663758.db2.gz QDRVCEAIDJYPJO-YPMHNXCESA-N 1 1 279.355 3.141 20 10 CGCDMO CS[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2O)C1 ZINC000300419422 637838689 /nfs/dbraw/zinc/83/86/89/637838689.db2.gz VZXWLUPHWUHEAU-ADEWGFFLSA-N 1 1 269.385 3.466 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)c1 ZINC000853630091 637877286 /nfs/dbraw/zinc/87/72/86/637877286.db2.gz NJVFMHBQHZFDAY-LRDDRELGSA-N 1 1 299.361 3.254 20 10 CGCDMO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cccc(C)c3O)C2)nc1 ZINC000858013613 638618824 /nfs/dbraw/zinc/61/88/24/638618824.db2.gz USWYQJOUBFKODF-MRXNPFEDSA-N 1 1 298.386 3.057 20 10 CGCDMO C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc2ccccc2c1[O-] ZINC000925882512 638642675 /nfs/dbraw/zinc/64/26/75/638642675.db2.gz NSPNYAZYEPRGPR-GUTXKFCHSA-N 1 1 284.403 3.323 20 10 CGCDMO CC(C)[C@@H]([NH2+][C@H](C)c1c(O)cccc1F)c1cnn(C)c1 ZINC000927066963 638837174 /nfs/dbraw/zinc/83/71/74/638837174.db2.gz PLUDLPCVKUXTMK-BDJLRTHQSA-N 1 1 291.370 3.313 20 10 CGCDMO C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccc(F)cc1O ZINC000187868135 640103221 /nfs/dbraw/zinc/10/32/21/640103221.db2.gz NVKPHNQTXYUWQK-ZYHUDNBSSA-N 1 1 267.344 3.140 20 10 CGCDMO C[C@H]1CSCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000192181599 640355794 /nfs/dbraw/zinc/35/57/94/640355794.db2.gz XWKUHHFGPGBTND-GFCCVEGCSA-N 1 1 277.433 3.066 20 10 CGCDMO C[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1cc(Cl)c(Cl)cc1O ZINC000193003972 640423712 /nfs/dbraw/zinc/42/37/12/640423712.db2.gz YQFCVUYPKHCJLI-QILRFPOHSA-N 1 1 290.190 3.263 20 10 CGCDMO CC[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C1CC1 ZINC000192992514 640423792 /nfs/dbraw/zinc/42/37/92/640423792.db2.gz MTCCCGBIJLSNOR-UHFFFAOYSA-N 1 1 263.381 3.380 20 10 CGCDMO CCOc1cccc(CNc2ccc(C)c[nH+]2)c1O ZINC000083430432 640596536 /nfs/dbraw/zinc/59/65/36/640596536.db2.gz VNFVPWFOEZIYQP-UHFFFAOYSA-N 1 1 258.321 3.106 20 10 CGCDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000093102887 640756462 /nfs/dbraw/zinc/75/64/62/640756462.db2.gz QKJPOONYIPKWLI-IYBDPMFKSA-N 1 1 288.435 3.286 20 10 CGCDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(OC)c2O)C1(C)C ZINC000093605311 640776610 /nfs/dbraw/zinc/77/66/10/640776610.db2.gz WKSMNGWKOIUBRE-LSDHHAIUSA-N 1 1 293.407 3.036 20 10 CGCDMO COc1cc(C[N@@H+](C)[C@H]2CC[C@H](SC)C2)c(O)cc1C ZINC001253980996 806324963 /nfs/dbraw/zinc/32/49/63/806324963.db2.gz KOMUHQGLYCEWLH-KBPBESRZSA-N 1 1 295.448 3.425 20 10 CGCDMO CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC001254720984 806487234 /nfs/dbraw/zinc/48/72/34/806487234.db2.gz FGJVCEOTZTWQGH-NEPJUHHUSA-N 1 1 298.377 3.053 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCOC(C)(C)C2)cc1 ZINC001255553609 806672103 /nfs/dbraw/zinc/67/21/03/806672103.db2.gz MZGJHSRAPVQORX-MRXNPFEDSA-N 1 1 276.424 3.142 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H](C)C(C)C)c1O ZINC000037328738 798866567 /nfs/dbraw/zinc/86/65/67/798866567.db2.gz ZXSGDBIVDCJGSR-JTQLQIEISA-N 1 1 267.344 3.210 20 10 CGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H](C)C(C)C)c1O ZINC000037328738 798866569 /nfs/dbraw/zinc/86/65/69/798866569.db2.gz ZXSGDBIVDCJGSR-JTQLQIEISA-N 1 1 267.344 3.210 20 10 CGCDMO CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)CC(C)C ZINC000037323216 798866887 /nfs/dbraw/zinc/86/68/87/798866887.db2.gz YJIZKWBRLPOQDF-UHFFFAOYSA-N 1 1 267.344 3.212 20 10 CGCDMO CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)CC(C)C ZINC000037323216 798866891 /nfs/dbraw/zinc/86/68/91/798866891.db2.gz YJIZKWBRLPOQDF-UHFFFAOYSA-N 1 1 267.344 3.212 20 10 CGCDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000161294499 799079683 /nfs/dbraw/zinc/07/96/83/799079683.db2.gz GGCFNNMQLJZFCB-NXEZZACHSA-N 1 1 284.197 3.385 20 10 CGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000246733587 799153157 /nfs/dbraw/zinc/15/31/57/799153157.db2.gz NZUBLPJRDSCGQA-HOCLYGCPSA-N 1 1 275.392 3.010 20 10 CGCDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000384314620 799415623 /nfs/dbraw/zinc/41/56/23/799415623.db2.gz RVNPQZGFRNDZOB-BMIGLBTASA-N 1 1 279.355 3.354 20 10 CGCDMO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000687212157 799737094 /nfs/dbraw/zinc/73/70/94/799737094.db2.gz HLLSNRHARVFIOD-ZWNOBZJWSA-N 1 1 269.772 3.045 20 10 CGCDMO CC(C)(C)[N@@H+]1CC[C@H](NCc2c(O)cccc2Cl)C1 ZINC000693867899 799816729 /nfs/dbraw/zinc/81/67/29/799816729.db2.gz PQAVWJCTSRCLPD-NSHDSACASA-N 1 1 282.815 3.008 20 10 CGCDMO CC(C)(C)[N@H+]1CC[C@H](NCc2c(O)cccc2Cl)C1 ZINC000693867899 799816735 /nfs/dbraw/zinc/81/67/35/799816735.db2.gz PQAVWJCTSRCLPD-NSHDSACASA-N 1 1 282.815 3.008 20 10 CGCDMO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2O)C1 ZINC000903128889 800594488 /nfs/dbraw/zinc/59/44/88/800594488.db2.gz NARHVRRCGXLPDX-UMNHJUIQSA-N 1 1 297.782 3.038 20 10 CGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@](CO)(C(C)C)C2)cc1Cl ZINC001118577353 802586461 /nfs/dbraw/zinc/58/64/61/802586461.db2.gz DJSBMVGOEOTQKT-MRXNPFEDSA-N 1 1 297.826 3.194 20 10 CGCDMO C[C@@]1([NH3+])CCC[N@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC001205280955 812929337 /nfs/dbraw/zinc/92/93/37/812929337.db2.gz MYSNCDSMIGDWIE-GOSISDBHSA-N 1 1 284.403 3.249 20 10 CGCDMO C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC001205280955 812929342 /nfs/dbraw/zinc/92/93/42/812929342.db2.gz MYSNCDSMIGDWIE-GOSISDBHSA-N 1 1 284.403 3.249 20 10 CGCDMO Oc1cccc(F)c1C[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001137837329 803779138 /nfs/dbraw/zinc/77/91/38/803779138.db2.gz BLINJMUMIKSZTN-AWEZNQCLSA-N 1 1 286.350 3.133 20 10 CGCDMO Oc1cccc(F)c1C[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001137837329 803779144 /nfs/dbraw/zinc/77/91/44/803779144.db2.gz BLINJMUMIKSZTN-AWEZNQCLSA-N 1 1 286.350 3.133 20 10 CGCDMO CCC[N@@H+](CCc1ccccn1)Cc1c([O-])cccc1F ZINC001137839185 803781219 /nfs/dbraw/zinc/78/12/19/803781219.db2.gz VMCQAGKFQUCOIH-UHFFFAOYSA-N 1 1 288.366 3.381 20 10 CGCDMO CCC[N@H+](CCc1ccccn1)Cc1c(O)cccc1F ZINC001137839185 803781225 /nfs/dbraw/zinc/78/12/25/803781225.db2.gz VMCQAGKFQUCOIH-UHFFFAOYSA-N 1 1 288.366 3.381 20 10 CGCDMO CCC[N@@H+](CCc1ccccn1)Cc1c(O)cccc1F ZINC001137839185 803781231 /nfs/dbraw/zinc/78/12/31/803781231.db2.gz VMCQAGKFQUCOIH-UHFFFAOYSA-N 1 1 288.366 3.381 20 10 CGCDMO COCC[N@@H+](C)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137853985 803783859 /nfs/dbraw/zinc/78/38/59/803783859.db2.gz CWCAKCKURNHGDU-UHFFFAOYSA-N 1 1 272.392 3.172 20 10 CGCDMO Cc1cc(C[N@H+]2CCC[C@](C)(O)C2)c(C)n1-c1ccccc1 ZINC001137857198 803785850 /nfs/dbraw/zinc/78/58/50/803785850.db2.gz BWHRNTUKJUVIDD-IBGZPJMESA-N 1 1 298.430 3.441 20 10 CGCDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001138127443 803864008 /nfs/dbraw/zinc/86/40/08/803864008.db2.gz BRBLIIVKSSBINP-OAHLLOKOSA-N 1 1 286.350 3.133 20 10 CGCDMO Oc1c(F)cccc1C[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001138127443 803864016 /nfs/dbraw/zinc/86/40/16/803864016.db2.gz BRBLIIVKSSBINP-OAHLLOKOSA-N 1 1 286.350 3.133 20 10 CGCDMO CCO[C@@H]1CCC[N@@H+](Cc2c(C)n(C)c3ccccc32)C1 ZINC001138256798 803882667 /nfs/dbraw/zinc/88/26/67/803882667.db2.gz LCTWCCQFZQQAJE-OAHLLOKOSA-N 1 1 286.419 3.488 20 10 CGCDMO CN1CCCc2cc(C[N@H+]3CCC[C@H](F)CC3)ccc21 ZINC001138354219 803900918 /nfs/dbraw/zinc/90/09/18/803900918.db2.gz BGSLRHOYWMRJMZ-INIZCTEOSA-N 1 1 276.399 3.393 20 10 CGCDMO COc1cc(C[N@H+]2CCc3cccc(O)c3C2)ccc1C ZINC001140160025 804391545 /nfs/dbraw/zinc/39/15/45/804391545.db2.gz IMELXLMHEHVFGV-UHFFFAOYSA-N 1 1 283.371 3.268 20 10 CGCDMO Cc1ccc(C)c(C[N@H+]2CCCOC(C)(C)C2)c1O ZINC001140182229 804395674 /nfs/dbraw/zinc/39/56/74/804395674.db2.gz LJXSLJBRPHLWLS-UHFFFAOYSA-N 1 1 263.381 3.010 20 10 CGCDMO Cc1ccc(C)c(C[NH+]2CCN(C3CCCC3)CC2)c1O ZINC001140180141 804396561 /nfs/dbraw/zinc/39/65/61/804396561.db2.gz SXLJZYYGANOHFP-UHFFFAOYSA-N 1 1 288.435 3.069 20 10 CGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC001140338994 804419402 /nfs/dbraw/zinc/41/94/02/804419402.db2.gz QLMADDPWGBTWMY-HNNXBMFYSA-N 1 1 281.783 3.048 20 10 CGCDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(O)cccc1Cl ZINC001140341703 804420427 /nfs/dbraw/zinc/42/04/27/804420427.db2.gz DDUQYFQKGYYESE-FOSCPWQOSA-N 1 1 281.783 3.187 20 10 CGCDMO C[C@]1(CF)CC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140463279 804440981 /nfs/dbraw/zinc/44/09/81/804440981.db2.gz YNTNTRCCYLDRGW-CYBMUJFWSA-N 1 1 257.736 3.227 20 10 CGCDMO Oc1cc(Cl)ccc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC001140464890 804442508 /nfs/dbraw/zinc/44/25/08/804442508.db2.gz FDZDLWGMZSLXFI-OAHLLOKOSA-N 1 1 281.783 3.048 20 10 CGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](OCc3ccccc3)C2)c1 ZINC001140621349 804476962 /nfs/dbraw/zinc/47/69/62/804476962.db2.gz YLBQJUYKEOBGBC-SFHVURJKSA-N 1 1 297.398 3.492 20 10 CGCDMO Cc1c(O)ccc(C[N@H+](C)Cc2cnc(Cl)s2)c1O ZINC001140742021 804502978 /nfs/dbraw/zinc/50/29/78/804502978.db2.gz HLNAKWXRTZFEHX-UHFFFAOYSA-N 1 1 298.795 3.148 20 10 CGCDMO Cc1c(O)ccc(C[N@@H+](C)Cc2cnc(Cl)s2)c1O ZINC001140742021 804502983 /nfs/dbraw/zinc/50/29/83/804502983.db2.gz HLNAKWXRTZFEHX-UHFFFAOYSA-N 1 1 298.795 3.148 20 10 CGCDMO CC[N@@H+](Cc1[nH]cc(C)c1C)Cc1ccccc1O ZINC001140861262 804536767 /nfs/dbraw/zinc/53/67/67/804536767.db2.gz DPKPAMLXSLCFPU-UHFFFAOYSA-N 1 1 258.365 3.359 20 10 CGCDMO CN(C)c1ccc(C[N@H+](C)Cc2ccncc2)c(Cl)c1 ZINC001140921632 804549431 /nfs/dbraw/zinc/54/94/31/804549431.db2.gz LFSODUKFTFYDCQ-UHFFFAOYSA-N 1 1 289.810 3.433 20 10 CGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccncc2)c(Cl)c1 ZINC001140921632 804549436 /nfs/dbraw/zinc/54/94/36/804549436.db2.gz LFSODUKFTFYDCQ-UHFFFAOYSA-N 1 1 289.810 3.433 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](C)C[C@H]2C)c(OC)c1 ZINC001141028068 804575599 /nfs/dbraw/zinc/57/55/99/804575599.db2.gz AACJKJZHJPCNIQ-VXGBXAGGSA-N 1 1 279.380 3.030 20 10 CGCDMO CC[N@@H+](Cc1cc2c3c(c1)CCCN3CCC2)C1CC1 ZINC001141074346 804585204 /nfs/dbraw/zinc/58/52/04/804585204.db2.gz FXPYAGQQEFRMPN-UHFFFAOYSA-N 1 1 270.420 3.370 20 10 CGCDMO CN1CCOc2cc(C[N@@H+](C)CC3CCCC3)ccc21 ZINC001141143572 804596822 /nfs/dbraw/zinc/59/68/22/804596822.db2.gz DSRIWCKILGGZTE-UHFFFAOYSA-N 1 1 274.408 3.137 20 10 CGCDMO CN1CCOc2cc(C[N@H+]3CCC[C@](C)(F)CC3)ccc21 ZINC001141139815 804597180 /nfs/dbraw/zinc/59/71/80/804597180.db2.gz CMFFFSCASCAYOW-KRWDZBQOSA-N 1 1 292.398 3.229 20 10 CGCDMO CN1CCOc2cc(C[N@H+]3CCCC[C@](C)(F)C3)ccc21 ZINC001141140845 804597423 /nfs/dbraw/zinc/59/74/23/804597423.db2.gz PSNJSLKIKXFNHD-KRWDZBQOSA-N 1 1 292.398 3.229 20 10 CGCDMO C[N@@H+](CCc1cccc(Cl)c1)Cc1cc(O)ccc1O ZINC001141159481 804600504 /nfs/dbraw/zinc/60/05/04/804600504.db2.gz HFXJONVOXYPVEX-UHFFFAOYSA-N 1 1 291.778 3.426 20 10 CGCDMO CCc1ccc(C[N@@H+](C)Cc2cc(O)ccc2O)cc1 ZINC001141161501 804601598 /nfs/dbraw/zinc/60/15/98/804601598.db2.gz SDLSQRALULCKCQ-UHFFFAOYSA-N 1 1 271.360 3.292 20 10 CGCDMO CC1(C)CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142520990 804731180 /nfs/dbraw/zinc/73/11/80/804731180.db2.gz SWYOBCVXZAWORH-UHFFFAOYSA-N 1 1 255.308 3.292 20 10 CGCDMO C[N@H+](Cc1ccccc1O)Cc1cc(F)c(F)cc1O ZINC001142527017 804731396 /nfs/dbraw/zinc/73/13/96/804731396.db2.gz GTIYYJFVLINRBI-UHFFFAOYSA-N 1 1 279.286 3.008 20 10 CGCDMO C[N@@H+](Cc1ccccc1O)Cc1cc(F)c(F)cc1O ZINC001142527017 804731402 /nfs/dbraw/zinc/73/14/02/804731402.db2.gz GTIYYJFVLINRBI-UHFFFAOYSA-N 1 1 279.286 3.008 20 10 CGCDMO C[C@H]1C[N@H+](Cc2cc(F)c(F)cc2O)C2(CC2)C1 ZINC001142526975 804731476 /nfs/dbraw/zinc/73/14/76/804731476.db2.gz DOKZHXQOBOBSAQ-SECBINFHSA-N 1 1 253.292 3.045 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)C2(CC2)C1 ZINC001142526975 804731480 /nfs/dbraw/zinc/73/14/80/804731480.db2.gz DOKZHXQOBOBSAQ-SECBINFHSA-N 1 1 253.292 3.045 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2[O-])[C@@H](C)C1 ZINC001142525040 804731749 /nfs/dbraw/zinc/73/17/49/804731749.db2.gz UUIQQOWVSYCHHC-UWVGGRQHSA-N 1 1 255.308 3.291 20 10 CGCDMO C[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)[C@@H](C)C1 ZINC001142525040 804731751 /nfs/dbraw/zinc/73/17/51/804731751.db2.gz UUIQQOWVSYCHHC-UWVGGRQHSA-N 1 1 255.308 3.291 20 10 CGCDMO C[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)[C@@H](C)C1 ZINC001142525040 804731752 /nfs/dbraw/zinc/73/17/52/804731752.db2.gz UUIQQOWVSYCHHC-UWVGGRQHSA-N 1 1 255.308 3.291 20 10 CGCDMO C[N@H+](Cc1cc(F)c(F)cc1[O-])CC1CC(F)(F)C1 ZINC001142525018 804731839 /nfs/dbraw/zinc/73/18/39/804731839.db2.gz UAQORPRPXLVTBM-UHFFFAOYSA-N 1 1 277.261 3.148 20 10 CGCDMO C[N@@H+](Cc1cc(F)c(F)cc1O)CC1CC(F)(F)C1 ZINC001142525018 804731841 /nfs/dbraw/zinc/73/18/41/804731841.db2.gz UAQORPRPXLVTBM-UHFFFAOYSA-N 1 1 277.261 3.148 20 10 CGCDMO C[N@H+](Cc1cc(F)c(F)cc1O)CC1CC(F)(F)C1 ZINC001142525018 804731844 /nfs/dbraw/zinc/73/18/44/804731844.db2.gz UAQORPRPXLVTBM-UHFFFAOYSA-N 1 1 277.261 3.148 20 10 CGCDMO C[C@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)CCC[C@H]1O ZINC001143104065 804801121 /nfs/dbraw/zinc/80/11/21/804801121.db2.gz OVCCFRXUKPIBHZ-XJKSGUPXSA-N 1 1 291.435 3.283 20 10 CGCDMO C[C@H]1CC[C@@H](CO)[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143104744 804802577 /nfs/dbraw/zinc/80/25/77/804802577.db2.gz ZAICPMDMDZCPDG-JSGCOSHPSA-N 1 1 277.408 3.035 20 10 CGCDMO Cc1c(O)cccc1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001144122228 804939660 /nfs/dbraw/zinc/93/96/60/804939660.db2.gz YUPZTTDNFKFWGL-UHFFFAOYSA-N 1 1 299.370 3.060 20 10 CGCDMO C[N@@H+](Cc1cccc(Cl)c1)Cc1c(O)cc(O)cc1O ZINC001144509406 804997879 /nfs/dbraw/zinc/99/78/79/804997879.db2.gz VYMXFHXIYXJHFK-UHFFFAOYSA-N 1 1 293.750 3.089 20 10 CGCDMO CC(C)[N@@H+](C)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249223589 805115382 /nfs/dbraw/zinc/11/53/82/805115382.db2.gz IOMIWAQARLGYEW-UHFFFAOYSA-N 1 1 261.365 3.417 20 10 CGCDMO Cc1cc(C[N@@H+](C)CC2CC2)c(O)cc1Br ZINC001250120462 805427627 /nfs/dbraw/zinc/42/76/27/805427627.db2.gz FCZNLNXFDVNHGV-UHFFFAOYSA-N 1 1 284.197 3.305 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)[C@H](C)CCSC ZINC001258223481 807373157 /nfs/dbraw/zinc/37/31/57/807373157.db2.gz DIJONSQFLYBBIM-GFCCVEGCSA-N 1 1 253.411 3.356 20 10 CGCDMO C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(Cl)ccc3[O-])(C1)CCC2 ZINC001275277236 808925057 /nfs/dbraw/zinc/92/50/57/808925057.db2.gz WZSPVDTWEJNWAC-JKSUJKDBSA-N 1 1 294.826 3.200 20 10 CGCDMO Oc1cccc2c1C[C@H]([NH2+]Cc1ccc(Cl)cc1O)C2 ZINC001180872739 810025084 /nfs/dbraw/zinc/02/50/84/810025084.db2.gz FXBNITVGZXJXCF-CYBMUJFWSA-N 1 1 289.762 3.008 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC001181870252 810077550 /nfs/dbraw/zinc/07/75/50/810077550.db2.gz MQXNLMSCICHNNG-WBMJQRKESA-N 1 1 279.330 3.291 20 10 CGCDMO Oc1cc(F)c(F)cc1C[N@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC001181870252 810077554 /nfs/dbraw/zinc/07/75/54/810077554.db2.gz MQXNLMSCICHNNG-WBMJQRKESA-N 1 1 279.330 3.291 20 10 CGCDMO Cc1cc(O)c(C[N@H+](C)[C@@H]2CCCC[C@H]2O)cc1Cl ZINC001183227537 810141539 /nfs/dbraw/zinc/14/15/39/810141539.db2.gz SHRLACMROCJPAR-ZIAGYGMSSA-N 1 1 283.799 3.089 20 10 CGCDMO Oc1cc(F)c(F)cc1C[NH+]1CCC(F)(C2CC2)CC1 ZINC001184125310 810178079 /nfs/dbraw/zinc/17/80/79/810178079.db2.gz QFIUYZMVGIKJNG-UHFFFAOYSA-N 1 1 285.309 3.385 20 10 CGCDMO Oc1cc2c(cc1O)C[N@@H+](CCCc1ccccc1)CCC2 ZINC001201672785 811934471 /nfs/dbraw/zinc/93/44/71/811934471.db2.gz XYLKVDUZSKBOED-UHFFFAOYSA-N 1 1 297.398 3.479 20 10 CGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)CC1(CC)COC1 ZINC001202965673 812211584 /nfs/dbraw/zinc/21/15/84/812211584.db2.gz KYQQPPVHRBWHBN-UHFFFAOYSA-N 1 1 276.424 3.001 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1cccc(OC)c1O ZINC001203600185 812405351 /nfs/dbraw/zinc/40/53/51/812405351.db2.gz WAWPICDUMGXKRV-UHFFFAOYSA-N 1 1 287.359 3.129 20 10 CGCDMO CCOc1cccc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c1O ZINC001203603953 812405507 /nfs/dbraw/zinc/40/55/07/812405507.db2.gz XUPQGHNVTOGWHN-KBPBESRZSA-N 1 1 275.392 3.413 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2Cc2ccccn2)cc1 ZINC001203934297 812495834 /nfs/dbraw/zinc/49/58/34/812495834.db2.gz PHRZBTWRCJAMSF-IBGZPJMESA-N 1 1 295.430 3.355 20 10 CGCDMO CC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204240061 812581625 /nfs/dbraw/zinc/58/16/25/812581625.db2.gz HAMUZWIPKIZPRV-OAHLLOKOSA-N 1 1 296.414 3.317 20 10 CGCDMO CN(C)c1ccc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)c2ccccc21 ZINC001204240556 812583650 /nfs/dbraw/zinc/58/36/50/812583650.db2.gz YKRBOKJXRPXSRZ-HNAYVOBHSA-N 1 1 296.414 3.127 20 10 CGCDMO CC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204328298 812614527 /nfs/dbraw/zinc/61/45/27/812614527.db2.gz GHGVJMNNYCIMKT-SFHVURJKSA-N 1 1 286.419 3.230 20 10 CGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCSC(C)(C)C1 ZINC001204768338 812730821 /nfs/dbraw/zinc/73/08/21/812730821.db2.gz IEYHYKOVYKQLPO-UHFFFAOYSA-N 1 1 278.465 3.388 20 10 CGCDMO CN(C)c1ccc(CN2CCC[C@](C)([NH3+])CC2)c(Cl)c1 ZINC001205273870 812925618 /nfs/dbraw/zinc/92/56/18/812925618.db2.gz QOGDJAYYVGQRCH-INIZCTEOSA-N 1 1 295.858 3.109 20 10 CGCDMO C[C@@H]1CC[C@H](CN)[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001205840883 813104514 /nfs/dbraw/zinc/10/45/14/813104514.db2.gz INJTUKCXMNTNPO-CZUORRHYSA-N 1 1 290.451 3.249 20 10 CGCDMO C[C@@H]1CC[C@H](CN)[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001205840883 813104515 /nfs/dbraw/zinc/10/45/15/813104515.db2.gz INJTUKCXMNTNPO-CZUORRHYSA-N 1 1 290.451 3.249 20 10 CGCDMO CCOC1CC([N@@H+](C)Cc2cc(Cl)c(C)cc2O)C1 ZINC001206055475 813184147 /nfs/dbraw/zinc/18/41/47/813184147.db2.gz LESVOUWXTDHRNB-UHFFFAOYSA-N 1 1 283.799 3.353 20 10 CGCDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001206239355 813251043 /nfs/dbraw/zinc/25/10/43/813251043.db2.gz FEHZFTRSZMDDFI-CQSZACIVSA-N 1 1 283.799 3.437 20 10 CGCDMO CC[N@H+](Cc1ccccc1O)C[C@@H]1CCOC(C)(C)C1 ZINC001207359818 813549916 /nfs/dbraw/zinc/54/99/16/813549916.db2.gz AXOSFUZNUIKZRJ-CQSZACIVSA-N 1 1 277.408 3.419 20 10 CGCDMO Oc1cc2c(cc1O)C[N@@H+](C[C@H]1C[C@H]3C=C[C@@H]1C3)CCC2 ZINC001207632941 813622346 /nfs/dbraw/zinc/62/23/46/813622346.db2.gz WEMCWTUQPGHSEF-NWANDNLSSA-N 1 1 285.387 3.058 20 10 CGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@@](C)(CO)C2)cc1 ZINC001209516809 814070774 /nfs/dbraw/zinc/07/07/74/814070774.db2.gz PLGWDDLUCPARMH-LJQANCHMSA-N 1 1 298.430 3.298 20 10 CGCDMO CCC[C@@H]([NH3+])c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217722908 815949113 /nfs/dbraw/zinc/94/91/13/815949113.db2.gz INGHPXGDPLTMEM-CQSZACIVSA-N 1 1 282.347 3.327 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C[C@@]1(C)O ZINC001231586613 818130220 /nfs/dbraw/zinc/13/02/20/818130220.db2.gz JQPZREALAYQFTB-FZKQIMNGSA-N 1 1 285.387 3.138 20 10 CGCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001231586991 818130254 /nfs/dbraw/zinc/13/02/54/818130254.db2.gz OURXJRQUNGYEAX-KDOFPFPSSA-N 1 1 283.371 3.156 20 10 CGCDMO Cc1cccc(C[N@@H+](C)Cc2cccc3c2OCO3)c1O ZINC001231594373 818131799 /nfs/dbraw/zinc/13/17/99/818131799.db2.gz CITFOLLVULLOFL-UHFFFAOYSA-N 1 1 285.343 3.061 20 10 CGCDMO Cc1cccc(C[N@H+]2CCCC(F)(F)[C@@H](F)C2)c1O ZINC001231590855 818132142 /nfs/dbraw/zinc/13/21/42/818132142.db2.gz ISHRAILOSCNYJN-LBPRGKRZSA-N 1 1 273.298 3.270 20 10 CGCDMO Cc1cccc(O[C@@H]2CC[N@@H+](Cc3cccc(C)c3O)C2)n1 ZINC001231594441 818133174 /nfs/dbraw/zinc/13/31/74/818133174.db2.gz FDPGXZRKPBHZFG-MRXNPFEDSA-N 1 1 298.386 3.057 20 10 CGCDMO COc1cc(C[N@H+]2CCCc3ccccc3C2)c(O)cc1O ZINC001231635744 818143403 /nfs/dbraw/zinc/14/34/03/818143403.db2.gz JMKLAKZVBAXJIQ-UHFFFAOYSA-N 1 1 299.370 3.055 20 10 CGCDMO Cc1cc(C)c(C[N@H+]2CCC[C@H]2c2cnccn2)c(O)c1 ZINC001231846722 818187558 /nfs/dbraw/zinc/18/75/58/818187558.db2.gz OFJANPBCHOOLTC-INIZCTEOSA-N 1 1 283.375 3.136 20 10 CGCDMO Cc1cc(C)c(C[N@@H+](C)Cc2cccc3c2OCO3)c(O)c1 ZINC001231847620 818187641 /nfs/dbraw/zinc/18/76/41/818187641.db2.gz BWNICYGMLZTQGA-UHFFFAOYSA-N 1 1 299.370 3.370 20 10 CGCDMO CC[N@@H+](Cc1cccnc1)Cc1c(C)cc(C)cc1O ZINC001231846528 818187852 /nfs/dbraw/zinc/18/78/52/818187852.db2.gz NQOBPGZBIRNTDT-UHFFFAOYSA-N 1 1 270.376 3.426 20 10 CGCDMO COc1cc(N(C)C)ccc1C[N@@H+](C)CC(C)(C)C ZINC001231853110 818188768 /nfs/dbraw/zinc/18/87/68/818188768.db2.gz FCGBGYFTVVRDTM-UHFFFAOYSA-N 1 1 264.413 3.239 20 10 CGCDMO O=C1CCC[N@H+](Cc2ccc3ccccc3c2O)CC1 ZINC001231879105 818197139 /nfs/dbraw/zinc/19/71/39/818197139.db2.gz WBBUWRXATWAGRH-UHFFFAOYSA-N 1 1 269.344 3.100 20 10 CGCDMO Oc1c(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)ccc2ccccc21 ZINC001231879869 818199286 /nfs/dbraw/zinc/19/92/86/818199286.db2.gz SYQKWPOLFBWQLX-CWRNSKLLSA-N 1 1 271.335 3.335 20 10 CGCDMO CN1CCC[C@H]2C[N@@H+](Cc3ccc4ccccc4c3O)C[C@@H]21 ZINC001231883556 818202420 /nfs/dbraw/zinc/20/24/20/818202420.db2.gz OXLSRUDHLFYCNR-YJBOKZPZSA-N 1 1 296.414 3.071 20 10 CGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CCCC[C@@H](F)C1 ZINC001231909613 818208823 /nfs/dbraw/zinc/20/88/23/818208823.db2.gz GMBAZRPBTMSROD-LLVKDONJSA-N 1 1 257.736 3.370 20 10 CGCDMO CC(=O)Nc1ccc(C[N@H+](C)Cc2ccccc2O)c(C)c1 ZINC001232187736 818273023 /nfs/dbraw/zinc/27/30/23/818273023.db2.gz SNNFZKWXJDNUGR-UHFFFAOYSA-N 1 1 298.386 3.291 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](F)CC2)cc1Cl ZINC001232267139 818298418 /nfs/dbraw/zinc/29/84/18/818298418.db2.gz XMEJYSLWXJSKMJ-NSHDSACASA-N 1 1 287.762 3.378 20 10 CGCDMO Oc1cc(O)c(C[N@H+]2CC3CCC2CC3)cc1Cl ZINC001232268724 818300977 /nfs/dbraw/zinc/30/09/77/818300977.db2.gz QHIIBHXWKGTLLH-UHFFFAOYSA-N 1 1 267.756 3.126 20 10 CGCDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(N(C)C)cc1O ZINC001232839451 818453321 /nfs/dbraw/zinc/45/33/21/818453321.db2.gz OEWOYENZWYEHSA-QWHCGFSZSA-N 1 1 262.397 3.079 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001233284540 818567138 /nfs/dbraw/zinc/56/71/38/818567138.db2.gz YZYPYBBPAKFATB-CQDKDKBSSA-N 1 1 277.383 3.480 20 10 CGCDMO CC(=O)[C@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286045 818567767 /nfs/dbraw/zinc/56/77/67/818567767.db2.gz CGLFQHCNCLKYNX-AWEZNQCLSA-N 1 1 289.419 3.491 20 10 CGCDMO C[C@H]1C[C@H](O)CC[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233286422 818567880 /nfs/dbraw/zinc/56/78/80/818567880.db2.gz TYBNGNJNABMRIC-SWLSCSKDSA-N 1 1 277.408 3.035 20 10 CGCDMO C[N@H+](CCc1ccccc1)Cc1c(O)ccc(F)c1F ZINC001233331690 818582772 /nfs/dbraw/zinc/58/27/72/818582772.db2.gz HBDCIEUNRVEULF-UHFFFAOYSA-N 1 1 277.314 3.345 20 10 CGCDMO C[N@@H+](CCc1ccccc1)Cc1c(O)ccc(F)c1F ZINC001233331690 818582780 /nfs/dbraw/zinc/58/27/80/818582780.db2.gz HBDCIEUNRVEULF-UHFFFAOYSA-N 1 1 277.314 3.345 20 10 CGCDMO C[C@@H]1CCC[N@H+](Cc2c(O)ccc(F)c2F)[C@@H]1C ZINC001233334677 818584287 /nfs/dbraw/zinc/58/42/87/818584287.db2.gz PPRQYWIKMZFKTL-NXEZZACHSA-N 1 1 255.308 3.291 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2F)[C@@H]1C ZINC001233334677 818584294 /nfs/dbraw/zinc/58/42/94/818584294.db2.gz PPRQYWIKMZFKTL-NXEZZACHSA-N 1 1 255.308 3.291 20 10 CGCDMO [O-]c1ccc(F)c(F)c1C[N@H+]1CCCCC12CC2 ZINC001233335311 818586466 /nfs/dbraw/zinc/58/64/66/818586466.db2.gz QCHWOUSQBKQURC-UHFFFAOYSA-N 1 1 253.292 3.189 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@@H+]1CCCCC12CC2 ZINC001233335311 818586476 /nfs/dbraw/zinc/58/64/76/818586476.db2.gz QCHWOUSQBKQURC-UHFFFAOYSA-N 1 1 253.292 3.189 20 10 CGCDMO Oc1ccc(F)c(F)c1C[N@H+]1CCCCC12CC2 ZINC001233335311 818586485 /nfs/dbraw/zinc/58/64/85/818586485.db2.gz QCHWOUSQBKQURC-UHFFFAOYSA-N 1 1 253.292 3.189 20 10 CGCDMO C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CCCO1 ZINC001233452145 818623942 /nfs/dbraw/zinc/62/39/42/818623942.db2.gz MDIHIPDXHKDPGN-SNVBAGLBSA-N 1 1 289.297 3.022 20 10 CGCDMO Oc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001233455783 818625255 /nfs/dbraw/zinc/62/52/55/818625255.db2.gz YKGFPDUMUFMITP-SKDRFNHKSA-N 1 1 271.282 3.395 20 10 CGCDMO Oc1c(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cccc1-c1ccccc1 ZINC001234992405 818969544 /nfs/dbraw/zinc/96/95/44/818969544.db2.gz OTYVRDVNJZSRGG-CALCHBBNSA-N 1 1 295.382 3.422 20 10 CGCDMO CC[N@@H+](Cc1ccccc1O)Cc1cncc(OC)c1C ZINC001235469581 819106226 /nfs/dbraw/zinc/10/62/26/819106226.db2.gz DVVDXJPPHPOBLO-UHFFFAOYSA-N 1 1 286.375 3.126 20 10 CGCDMO Cc1cc(CN(C)C2CC[NH2+]CC2)c(C)n1-c1ccccc1 ZINC001235474718 819108670 /nfs/dbraw/zinc/10/86/70/819108670.db2.gz TZYZSPUHMAMGGV-UHFFFAOYSA-N 1 1 297.446 3.278 20 10 CGCDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)[C@H]1CO ZINC001235674998 819135352 /nfs/dbraw/zinc/13/53/52/819135352.db2.gz LLMMRPKIXIPHHK-CJNGLKHVSA-N 1 1 291.435 3.283 20 10 CGCDMO CC(C)(C)c1ccc(C[N@H+]2CCOC(C)(C)C2)c(O)c1 ZINC001235676919 819136707 /nfs/dbraw/zinc/13/67/07/819136707.db2.gz XEPODIJCCCKERX-UHFFFAOYSA-N 1 1 277.408 3.301 20 10 CGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)CC[C@H]1O ZINC001235675889 819137502 /nfs/dbraw/zinc/13/75/02/819137502.db2.gz LOIAZIKAQPBSJI-CZUORRHYSA-N 1 1 291.435 3.283 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2C[C@H]3CCC[C@@H](C2)N3)c1 ZINC001236093080 819311971 /nfs/dbraw/zinc/31/19/71/819311971.db2.gz NVCQQFZMCLTAGB-IYBDPMFKSA-N 1 1 288.435 3.016 20 10 CGCDMO CC(C)(C)c1ccc(O)c(C[N@@H+]2C[C@H]3CCC[C@@H](C2)N3)c1 ZINC001236093080 819311977 /nfs/dbraw/zinc/31/19/77/819311977.db2.gz NVCQQFZMCLTAGB-IYBDPMFKSA-N 1 1 288.435 3.016 20 10 CGCDMO Nc1ccc2c(c1)CC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001236104864 819321613 /nfs/dbraw/zinc/32/16/13/819321613.db2.gz GDWPDKVFTYFPEN-UHFFFAOYSA-N 1 1 288.778 3.186 20 10 CGCDMO Nc1ccc(C[N@H+]2CCSc3ccccc3C2)cc1 ZINC001236241220 819400811 /nfs/dbraw/zinc/40/08/11/819400811.db2.gz RBJBJGSGUYDZMF-UHFFFAOYSA-N 1 1 270.401 3.377 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](C)[C@@H](C)C2)cc1OC ZINC001236749057 819589871 /nfs/dbraw/zinc/58/98/71/819589871.db2.gz FLCBEUFHTATAHZ-STQMWFEESA-N 1 1 293.407 3.277 20 10 CGCDMO CCc1ccc(C[N@H+]2CCc3cccc(O)c3C2)c(O)c1 ZINC001236791741 819595411 /nfs/dbraw/zinc/59/54/11/819595411.db2.gz JMNWLLFFFWTGAL-UHFFFAOYSA-N 1 1 283.371 3.219 20 10 CGCDMO CCc1ccc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)c(O)c1 ZINC001236783979 819595758 /nfs/dbraw/zinc/59/57/58/819595758.db2.gz QPDCEPOTAAEGMR-HZPDHXFCSA-N 1 1 287.403 3.288 20 10 CGCDMO COC1CC[NH+](Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001236792481 819596954 /nfs/dbraw/zinc/59/69/54/819596954.db2.gz DPFXGKAMMDMLKJ-UHFFFAOYSA-N 1 1 290.190 3.310 20 10 CGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]3C[C@@H]32)c(Cl)c1 ZINC001236807491 819601558 /nfs/dbraw/zinc/60/15/58/819601558.db2.gz HBBMNEVVKJZLFR-RNCFNFMXSA-N 1 1 267.756 3.039 20 10 CGCDMO COc1ccc(C[N@@H+]2CCCC[C@H]2C)c(O)c1Cl ZINC001236806018 819602527 /nfs/dbraw/zinc/60/25/27/819602527.db2.gz LBVLSTPARKZGNY-SNVBAGLBSA-N 1 1 269.772 3.429 20 10 CGCDMO COc1ccc(C[N@H+]2CCCC[C@H]2C)c(O)c1Cl ZINC001236806018 819602529 /nfs/dbraw/zinc/60/25/29/819602529.db2.gz LBVLSTPARKZGNY-SNVBAGLBSA-N 1 1 269.772 3.429 20 10 CGCDMO C[N@H+](Cc1cc(Cl)c(Cl)cc1O)[C@@H]1CCCOC1 ZINC001236802996 819603175 /nfs/dbraw/zinc/60/31/75/819603175.db2.gz LHYGQOIIISQEIM-SNVBAGLBSA-N 1 1 290.190 3.310 20 10 CGCDMO C[N@@H+](Cc1cc(Cl)c(Cl)cc1O)[C@@H]1CCCOC1 ZINC001236802996 819603181 /nfs/dbraw/zinc/60/31/81/819603181.db2.gz LHYGQOIIISQEIM-SNVBAGLBSA-N 1 1 290.190 3.310 20 10 CGCDMO Oc1cc2ccccc2cc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001236827396 819609468 /nfs/dbraw/zinc/60/94/68/819609468.db2.gz RHOMLBYTXPZCHO-WBVHZDCISA-N 1 1 283.371 3.014 20 10 CGCDMO Oc1cc2ccccc2cc1C[NH+]1CC(N2CCCCC2)C1 ZINC001236834510 819613390 /nfs/dbraw/zinc/61/33/90/819613390.db2.gz ZQTLYKFPYRMYLM-UHFFFAOYSA-N 1 1 296.414 3.216 20 10 CGCDMO CO[C@H]1CCC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236840976 819618579 /nfs/dbraw/zinc/61/85/79/819618579.db2.gz UZWGNDXMPSDOGK-INIZCTEOSA-N 1 1 271.360 3.156 20 10 CGCDMO CCOc1ccc(C[N@@H+]2Cc3ccc(F)cc3C2)c(O)c1 ZINC001237042799 819647882 /nfs/dbraw/zinc/64/78/82/819647882.db2.gz IPHNTLOEBXSYNL-UHFFFAOYSA-N 1 1 287.334 3.446 20 10 CGCDMO CCOc1ccc(C[N@H+]2Cc3ccc(F)cc3C2)c(O)c1 ZINC001237042799 819647885 /nfs/dbraw/zinc/64/78/85/819647885.db2.gz IPHNTLOEBXSYNL-UHFFFAOYSA-N 1 1 287.334 3.446 20 10 CGCDMO CC(C)c1ccc(C[N@H+]2CC[C@]3(CCCO3)C2)c(O)c1 ZINC001237047047 819650507 /nfs/dbraw/zinc/65/05/07/819650507.db2.gz YXNNHUFXMVWHFV-QGZVFWFLSA-N 1 1 275.392 3.271 20 10 CGCDMO CCOc1ccc(C[N@@H+](CCCCCO)C(C)C)c(O)c1 ZINC001237047454 819650952 /nfs/dbraw/zinc/65/09/52/819650952.db2.gz YKEOBKZHEYHYQJ-UHFFFAOYSA-N 1 1 295.423 3.164 20 10 CGCDMO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C(C)C)cc1O ZINC001237055467 819655442 /nfs/dbraw/zinc/65/54/42/819655442.db2.gz PFWGROATJZUSFV-INIZCTEOSA-N 1 1 275.392 3.459 20 10 CGCDMO Oc1ccc(F)c(Cl)c1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001237127221 819674202 /nfs/dbraw/zinc/67/42/02/819674202.db2.gz WWMDCFASKUZOOS-GFCCVEGCSA-N 1 1 291.700 3.416 20 10 CGCDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(O)ccc(F)c1Cl ZINC001237130356 819675347 /nfs/dbraw/zinc/67/53/47/819675347.db2.gz MPJVEYPAJLRXFR-ZACCUICWSA-N 1 1 299.773 3.327 20 10 CGCDMO Oc1ccc(C(F)(F)F)cc1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001237139784 819677025 /nfs/dbraw/zinc/67/70/25/819677025.db2.gz OQPAWPIJYQEGSY-KPXOXKRLSA-N 1 1 289.272 3.343 20 10 CGCDMO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@@H]1CF ZINC001237139685 819677213 /nfs/dbraw/zinc/67/72/13/819677213.db2.gz BTLPNFOJPYQUSW-LLVKDONJSA-N 1 1 277.261 3.345 20 10 CGCDMO Oc1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@@H]1CF ZINC001237139685 819677217 /nfs/dbraw/zinc/67/72/17/819677217.db2.gz BTLPNFOJPYQUSW-LLVKDONJSA-N 1 1 277.261 3.345 20 10 CGCDMO CC[N@@H+](CCN1CCCCC1)Cc1c(C)cccc1O ZINC001237488380 819761977 /nfs/dbraw/zinc/76/19/77/819761977.db2.gz VPNWAPLGUOGJGR-UHFFFAOYSA-N 1 1 276.424 3.008 20 10 CGCDMO CCN(CC[NH+]1CCCCC1)Cc1c(C)cccc1O ZINC001237488380 819761980 /nfs/dbraw/zinc/76/19/80/819761980.db2.gz VPNWAPLGUOGJGR-UHFFFAOYSA-N 1 1 276.424 3.008 20 10 CGCDMO Cc1cccc(O)c1C[NH+]1CCN(CC2CCCC2)CC1 ZINC001237489818 819764596 /nfs/dbraw/zinc/76/45/96/819764596.db2.gz LBAQAOFFEPYEBS-UHFFFAOYSA-N 1 1 288.435 3.008 20 10 CGCDMO CC[N@@H+](Cc1cc(Br)c(C)cc1O)C1CC1 ZINC001237675838 819804280 /nfs/dbraw/zinc/80/42/80/819804280.db2.gz BSPAWGQMQGNPKO-UHFFFAOYSA-N 1 1 284.197 3.447 20 10 CGCDMO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC001237687158 819806640 /nfs/dbraw/zinc/80/66/40/819806640.db2.gz RZALXEUKRXGATC-AWEZNQCLSA-N 1 1 281.783 3.298 20 10 CGCDMO CC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC001237687158 819806650 /nfs/dbraw/zinc/80/66/50/819806650.db2.gz RZALXEUKRXGATC-AWEZNQCLSA-N 1 1 281.783 3.298 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[NH+]1CCC2(CCCO2)CC1 ZINC001237936080 819888871 /nfs/dbraw/zinc/88/88/71/819888871.db2.gz IWOCIXCHBIGQCA-UHFFFAOYSA-N 1 1 299.773 3.330 20 10 CGCDMO CC1(C)CC[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237938218 819889003 /nfs/dbraw/zinc/88/90/03/819889003.db2.gz ZDIZAGVURIZVQV-UHFFFAOYSA-N 1 1 257.736 3.417 20 10 CGCDMO CC1(C)CC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237938218 819889014 /nfs/dbraw/zinc/88/90/14/819889014.db2.gz ZDIZAGVURIZVQV-UHFFFAOYSA-N 1 1 257.736 3.417 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001237935189 819889181 /nfs/dbraw/zinc/88/91/81/819889181.db2.gz AYTDSZGWGYKKSG-GFCCVEGCSA-N 1 1 291.700 3.416 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001237935189 819889191 /nfs/dbraw/zinc/88/91/91/819889191.db2.gz AYTDSZGWGYKKSG-GFCCVEGCSA-N 1 1 291.700 3.416 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001237945445 819891678 /nfs/dbraw/zinc/89/16/78/819891678.db2.gz FVLIECHURLGMHJ-ZUZCIYMTSA-N 1 1 299.773 3.186 20 10 CGCDMO Oc1cc(Cl)c(F)cc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001237945445 819891690 /nfs/dbraw/zinc/89/16/90/819891690.db2.gz FVLIECHURLGMHJ-ZUZCIYMTSA-N 1 1 299.773 3.186 20 10 CGCDMO COCC[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(C)c1O ZINC001238063592 819920239 /nfs/dbraw/zinc/92/02/39/819920239.db2.gz ZFNHNKUUXGKNCX-HNNXBMFYSA-N 1 1 281.371 3.231 20 10 CGCDMO Cc1cc(F)cc(C[N@H+]2CCc3ccsc3C2)c1O ZINC001238062487 819921050 /nfs/dbraw/zinc/92/10/50/819921050.db2.gz QTDYJECIOQPPAC-UHFFFAOYSA-N 1 1 277.364 3.460 20 10 CGCDMO Cc1ccc(O)cc1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001238103309 819934056 /nfs/dbraw/zinc/93/40/56/819934056.db2.gz NEHVQENEYYWNQA-UHFFFAOYSA-N 1 1 299.370 3.060 20 10 CGCDMO