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]([NH2+]Cc1cc(Cl)ccc1O)c1nc(-c2cccc(F)c2)no1 ZINC000237461063 1032229892 /nfs/dbraw/zinc/22/98/92/1032229892.db2.gz GANZMLCCBSAZNN-SNVBAGLBSA-N 1 1 347.777 4.086 20 10 EICDMO Cc1ccc(-c2nnc([C@H](C)[N@H+](C)Cc3ccccc3O)o2)cc1C ZINC000120488815 1032330848 /nfs/dbraw/zinc/33/08/48/1032330848.db2.gz GBCMPSPIJKVFNX-HNNXBMFYSA-N 1 1 337.423 4.252 20 10 EICDMO Cc1ccc(-c2nnc([C@H](C)[N@@H+](C)Cc3ccccc3O)o2)cc1C ZINC000120488815 1032330860 /nfs/dbraw/zinc/33/08/60/1032330860.db2.gz GBCMPSPIJKVFNX-HNNXBMFYSA-N 1 1 337.423 4.252 20 10 EICDMO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000274577519 1018817443 /nfs/dbraw/zinc/81/74/43/1018817443.db2.gz IIRKPNXFGRCLFN-VIFPVBQESA-N 1 1 347.381 4.218 20 10 EICDMO CCc1ccc([C@H](COC)[NH2+]Cc2ccc(N(CC)CC)c(F)c2)o1 ZINC000236932766 1032839365 /nfs/dbraw/zinc/83/93/65/1032839365.db2.gz ROUMDDMZSULSDD-SFHVURJKSA-N 1 1 348.462 4.305 20 10 EICDMO Cc1cc(CN2CCC[N@@H+](CC3CCCCC3)CC2)ccc1N(C)C ZINC001167116543 1020222477 /nfs/dbraw/zinc/22/24/77/1020222477.db2.gz REBOAGLQIIVBCC-UHFFFAOYSA-N 1 1 343.559 4.149 20 10 EICDMO CCC[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)Cc1ccccc1O ZINC000728927153 1032915872 /nfs/dbraw/zinc/91/58/72/1032915872.db2.gz JITVBCQUNOSRII-UHFFFAOYSA-N 1 1 347.842 4.229 20 10 EICDMO Oc1ccccc1C[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000376168582 1021653059 /nfs/dbraw/zinc/65/30/59/1021653059.db2.gz XKRCLJBHOSJWEZ-AWEZNQCLSA-N 1 1 326.371 4.052 20 10 EICDMO CCN(C)c1ccc([C@@H](C)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000160466066 1021881244 /nfs/dbraw/zinc/88/12/44/1021881244.db2.gz MBSSXGOAINIPQT-QGZVFWFLSA-N 1 1 329.532 4.200 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCCCC[C@H]2c2ccco2)cc1OC ZINC000180271921 1022459383 /nfs/dbraw/zinc/45/93/83/1022459383.db2.gz NZVXXCXKHIAXQP-HNNXBMFYSA-N 1 1 331.412 4.120 20 10 EICDMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccc(N2CCCC2=O)cc1 ZINC000185156891 1023014997 /nfs/dbraw/zinc/01/49/97/1023014997.db2.gz VCDANDCJKCVTRJ-KBPBESRZSA-N 1 1 342.414 4.070 20 10 EICDMO COc1cc(C)cc(C[NH+](Cc2ccco2)Cc2ccco2)c1O ZINC000893902658 1033149559 /nfs/dbraw/zinc/14/95/59/1033149559.db2.gz KPHNNTOHKJGGNE-UHFFFAOYSA-N 1 1 327.380 4.098 20 10 EICDMO COc1ccc(C[N@@H+](C)[C@H](C)c2cc3ccccc3o2)c(O)c1OC ZINC000891569164 1023787287 /nfs/dbraw/zinc/78/72/87/1023787287.db2.gz QETRHJVXMRVTRL-CYBMUJFWSA-N 1 1 341.407 4.349 20 10 EICDMO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3cc(C)ccc3O)n2)cc1 ZINC000276727288 1023902403 /nfs/dbraw/zinc/90/24/03/1023902403.db2.gz GLWQDIMDJUQQGX-CQSZACIVSA-N 1 1 337.423 4.164 20 10 EICDMO CC[C@H]([NH2+][C@H](C)[C@@H](OC)c1ccc(F)cc1)c1ccc(F)cc1O ZINC000796856390 1023997187 /nfs/dbraw/zinc/99/71/87/1023997187.db2.gz MHRIIBIBKSKRBM-JLBUNGTFSA-N 1 1 335.394 4.487 20 10 EICDMO COc1ccc(C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)c(O)c1OC ZINC000892119486 1025837056 /nfs/dbraw/zinc/83/70/56/1025837056.db2.gz DGDWXAZDTFDULL-HNNXBMFYSA-N 1 1 333.815 4.010 20 10 EICDMO COc1ccc(C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)c(O)c1OC ZINC000892119486 1025837057 /nfs/dbraw/zinc/83/70/57/1025837057.db2.gz DGDWXAZDTFDULL-HNNXBMFYSA-N 1 1 333.815 4.010 20 10 EICDMO CC[N@@H+](Cc1ccc(C)c(Br)c1)Cc1ccccc1O ZINC001139731212 1026363243 /nfs/dbraw/zinc/36/32/43/1026363243.db2.gz FJIUJYCOJKVSPT-UHFFFAOYSA-N 1 1 334.257 4.485 20 10 EICDMO C[C@@H]([NH2+]Cc1cccc(Br)c1O)c1ccc(F)cc1F ZINC000048795948 1026421955 /nfs/dbraw/zinc/42/19/55/1026421955.db2.gz MDANUXLZSBHNJQ-SECBINFHSA-N 1 1 342.183 4.284 20 10 EICDMO C[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000158186542 1026556255 /nfs/dbraw/zinc/55/62/55/1026556255.db2.gz IJMADYJRUCMWKC-RBUKOAKNSA-N 1 1 329.532 4.059 20 10 EICDMO Cc1cc(O)c(C[NH2+][C@@H]2CCCc3cn(C(C)C)nc32)c(Cl)c1 ZINC000840939363 1027794866 /nfs/dbraw/zinc/79/48/66/1027794866.db2.gz LSXQGNMTQKZXSL-MRXNPFEDSA-N 1 1 333.863 4.299 20 10 EICDMO CC[C@H](c1ccccc1O)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000367317021 1029338825 /nfs/dbraw/zinc/33/88/25/1029338825.db2.gz GZEWFWDIUVFSHL-QFBILLFUSA-N 1 1 339.483 4.256 20 10 EICDMO C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000278733244 1029746709 /nfs/dbraw/zinc/74/67/09/1029746709.db2.gz MYRAFNJPOKVIJY-MNOVXSKESA-N 1 1 330.255 4.451 20 10 EICDMO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1cc(Cl)ccc1O ZINC000186105080 1030249781 /nfs/dbraw/zinc/24/97/81/1030249781.db2.gz IMAXGGIUDJSEHZ-NSHDSACASA-N 1 1 345.855 4.415 20 10 EICDMO CC[C@H]([NH2+][C@H](c1ccc(OC)nc1)C1CC1)c1ccc(F)cc1O ZINC000528043404 1031058429 /nfs/dbraw/zinc/05/84/29/1031058429.db2.gz OMJJQGUVDBAXAA-LPHOPBHVSA-N 1 1 330.403 4.127 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000179584440 1031221719 /nfs/dbraw/zinc/22/17/19/1031221719.db2.gz PPUAZBVUGHLAMG-IBGZPJMESA-N 1 1 339.460 4.190 20 10 EICDMO Oc1ccccc1C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000179583777 1031223385 /nfs/dbraw/zinc/22/33/85/1031223385.db2.gz ZBQLLBXTWMYRTH-HNNXBMFYSA-N 1 1 328.481 4.107 20 10 EICDMO CC[C@@H]([NH2+]CCCCC(=O)OC(C)(C)C)c1ccc(F)cc1O ZINC000796852686 1031241156 /nfs/dbraw/zinc/24/11/56/1031241156.db2.gz BIPPIBLXCSZICA-OAHLLOKOSA-N 1 1 325.424 4.084 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2C[C@H](C(F)(F)F)CC[C@H]2C)c1O ZINC000761217457 1036173833 /nfs/dbraw/zinc/17/38/33/1036173833.db2.gz VMHIRYSYGIBKGJ-MWLCHTKSSA-N 1 1 337.769 4.217 20 10 EICDMO CCOc1cccc(C[N@H+]2CCCCC[C@@H]2c2ccncc2)c1O ZINC000157015132 1036781783 /nfs/dbraw/zinc/78/17/83/1036781783.db2.gz VSFAJLJQYTWZGN-GOSISDBHSA-N 1 1 326.440 4.303 20 10 EICDMO C[C@H](c1ccccc1)[N@@H+](CCC1OCCCO1)Cc1ccccc1O ZINC000272055730 1037090390 /nfs/dbraw/zinc/09/03/90/1037090390.db2.gz RFKIZQMXRAXACN-QGZVFWFLSA-N 1 1 341.451 4.109 20 10 EICDMO Cc1cccc(C[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1O ZINC000273485669 1037480908 /nfs/dbraw/zinc/48/09/08/1037480908.db2.gz MHAWRXVOBKACGO-RBUKOAKNSA-N 1 1 329.415 4.192 20 10 EICDMO COc1ccc(N2CCC[N@H+]([C@H](C)c3cccc(F)c3)CC2)cc1 ZINC000108409831 1041732361 /nfs/dbraw/zinc/73/23/61/1041732361.db2.gz KNGOZXJYTVFACO-MRXNPFEDSA-N 1 1 328.431 4.108 20 10 EICDMO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C)Cc1ccccc1O ZINC000727831235 1043311671 /nfs/dbraw/zinc/31/16/71/1043311671.db2.gz PSHFHPKZCINJGA-UHFFFAOYSA-N 1 1 346.858 4.205 20 10 EICDMO COc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)ccc1SC ZINC000731752216 1043823122 /nfs/dbraw/zinc/82/31/22/1043823122.db2.gz UNKXMPVUCOVIIK-UHFFFAOYSA-N 1 1 330.497 4.115 20 10 EICDMO FC(F)Oc1cccc(Cl)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000732986968 1044062464 /nfs/dbraw/zinc/06/24/64/1044062464.db2.gz QFCYNZQEAOOMNC-UHFFFAOYSA-N 1 1 339.769 4.166 20 10 EICDMO CCc1cc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)on1 ZINC000766137234 1044322234 /nfs/dbraw/zinc/32/22/34/1044322234.db2.gz UXTHVHXXPZUNIB-CQSZACIVSA-N 1 1 331.435 4.217 20 10 EICDMO Oc1ccc2ccncc2c1C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000734476859 1044586332 /nfs/dbraw/zinc/58/63/32/1044586332.db2.gz LRCRZCCLNNAXBH-UHFFFAOYSA-N 1 1 336.410 4.492 20 10 EICDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000736596874 1044956391 /nfs/dbraw/zinc/95/63/91/1044956391.db2.gz UOIOBTPSSROIQS-PBHICJAKSA-N 1 1 336.410 4.458 20 10 EICDMO Cn1cc(C[N@@H+](C)Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cn1 ZINC000915204800 1045180094 /nfs/dbraw/zinc/18/00/94/1045180094.db2.gz YAJDAGLRSPZCTR-UHFFFAOYSA-N 1 1 343.515 4.353 20 10 EICDMO Cc1cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)n1-c1cccc(C)c1 ZINC000915683212 1045448007 /nfs/dbraw/zinc/44/80/07/1045448007.db2.gz PDZIYIFKXAZKBO-SFTDATJTSA-N 1 1 337.511 4.119 20 10 EICDMO Cc1cc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)n1-c1cccc(C)c1 ZINC000915683212 1045448010 /nfs/dbraw/zinc/44/80/10/1045448010.db2.gz PDZIYIFKXAZKBO-SFTDATJTSA-N 1 1 337.511 4.119 20 10 EICDMO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cc(C)c(C)cc1O ZINC000915814780 1045474895 /nfs/dbraw/zinc/47/48/95/1045474895.db2.gz OQEBBZJZUKBZFX-UHFFFAOYSA-N 1 1 340.467 4.168 20 10 EICDMO COc1cc(C[N@@H+](C)Cc2ccc(F)cc2)c(O)c(C(C)(C)C)c1 ZINC000915826199 1045498117 /nfs/dbraw/zinc/49/81/17/1045498117.db2.gz VDLWHBSAIBWUTE-UHFFFAOYSA-N 1 1 331.431 4.469 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCCCOCc1ccccc1 ZINC000790955502 1045635283 /nfs/dbraw/zinc/63/52/83/1045635283.db2.gz QZCQTWTUWLXOQD-UHFFFAOYSA-N 1 1 337.822 4.271 20 10 EICDMO C[N@H+](Cc1cc(Br)ccc1O)Cc1ccc(F)cc1F ZINC000768233731 1045760964 /nfs/dbraw/zinc/76/09/64/1045760964.db2.gz QPGXFYOTXRMVPL-UHFFFAOYSA-N 1 1 342.183 4.065 20 10 EICDMO c1ccc([C@@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)CCO2)cc1 ZINC000768235653 1045764184 /nfs/dbraw/zinc/76/41/84/1045764184.db2.gz CJUPZNCXZCKXAJ-QFIPXVFZSA-N 1 1 336.479 4.250 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2cnc3ccccc3c2)C2CC2)cc1 ZINC000768256301 1045769413 /nfs/dbraw/zinc/76/94/13/1045769413.db2.gz BGJOZNAUDDMNBQ-UHFFFAOYSA-N 1 1 331.463 4.465 20 10 EICDMO CCCn1nc(C)c(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)c1C ZINC000768353474 1045796208 /nfs/dbraw/zinc/79/62/08/1045796208.db2.gz VIGKJHQBKHMJOR-UHFFFAOYSA-N 1 1 342.531 4.387 20 10 EICDMO COc1cc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)c(O)cc1C ZINC000768440578 1045807220 /nfs/dbraw/zinc/80/72/20/1045807220.db2.gz ACOWUDCJTZKGOK-UHFFFAOYSA-N 1 1 327.399 4.138 20 10 EICDMO CC[C@@H](C)[N@@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1O ZINC000768438662 1045807585 /nfs/dbraw/zinc/80/75/85/1045807585.db2.gz DIXRVBVSTNTDSL-OAHLLOKOSA-N 1 1 329.440 4.210 20 10 EICDMO CC[C@@H]([NH2+][C@H]1CCCc2cn(C(C)C)nc21)c1ccc(F)cc1O ZINC000796940259 1045822297 /nfs/dbraw/zinc/82/22/97/1045822297.db2.gz GCTHQRZWBJXJED-SJORKVTESA-N 1 1 331.435 4.427 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2CCc3[nH]c4ccc(C)cc4c3C2)c1 ZINC000768765784 1045834338 /nfs/dbraw/zinc/83/43/38/1045834338.db2.gz HBNUZRLPUIFJAV-UHFFFAOYSA-N 1 1 336.435 4.139 20 10 EICDMO CCOc1ccc(O)c(C[N@@H+]2CCc3[nH]c4ccc(C)cc4c3C2)c1 ZINC000768765784 1045834336 /nfs/dbraw/zinc/83/43/36/1045834336.db2.gz HBNUZRLPUIFJAV-UHFFFAOYSA-N 1 1 336.435 4.139 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1ccsc1Cl)C[C@H]1CCCO1 ZINC000792156444 1045868088 /nfs/dbraw/zinc/86/80/88/1045868088.db2.gz FPTLDARRFBEEOG-OAHLLOKOSA-N 1 1 337.872 4.288 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1ccsc1Cl)C[C@H]1CCCO1 ZINC000792156444 1045868090 /nfs/dbraw/zinc/86/80/90/1045868090.db2.gz FPTLDARRFBEEOG-OAHLLOKOSA-N 1 1 337.872 4.288 20 10 EICDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2c(O)cccc2Cl)C1 ZINC000769149001 1045884944 /nfs/dbraw/zinc/88/49/44/1045884944.db2.gz WQJYCVKUNHZAFJ-HZPDHXFCSA-N 1 1 336.907 4.132 20 10 EICDMO Cc1ccc(O)c(C[N@@H+](C)CCCc2cc(-c3ccccc3)no2)c1 ZINC000769192344 1045885032 /nfs/dbraw/zinc/88/50/32/1045885032.db2.gz OAWGEWHBYPJLFG-UHFFFAOYSA-N 1 1 336.435 4.420 20 10 EICDMO CCC[N@@H+](Cc1c(Cl)nc2ccccn21)Cc1ccccc1O ZINC000769201611 1045893904 /nfs/dbraw/zinc/89/39/04/1045893904.db2.gz XZXLKGFGUWTDKD-UHFFFAOYSA-N 1 1 329.831 4.106 20 10 EICDMO CCC[N@@H+](Cc1ccc(OC)c(COCC)c1)Cc1ccccc1O ZINC000769201397 1045894386 /nfs/dbraw/zinc/89/43/86/1045894386.db2.gz SZYIVNGOIAPBLV-UHFFFAOYSA-N 1 1 343.467 4.350 20 10 EICDMO Cc1ccc(O)c(C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000769211784 1045895333 /nfs/dbraw/zinc/89/53/33/1045895333.db2.gz MHOCLXLBEWKOQN-WIYYLYMNSA-N 1 1 325.452 4.300 20 10 EICDMO Cc1ccc(O)c(C[N@@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000769211777 1045895588 /nfs/dbraw/zinc/89/55/88/1045895588.db2.gz MHOCLXLBEWKOQN-NQIIRXRSSA-N 1 1 325.452 4.300 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000769487404 1045970006 /nfs/dbraw/zinc/97/00/06/1045970006.db2.gz WRPOCLMMVWQWPB-JOCHJYFZSA-N 1 1 337.463 4.452 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2ccc(C(F)(F)F)cn2)C2CC2)cc1 ZINC000769710256 1046049875 /nfs/dbraw/zinc/04/98/75/1046049875.db2.gz SZUVVDDJNVZEJZ-UHFFFAOYSA-N 1 1 349.400 4.331 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1O ZINC000769867063 1046086433 /nfs/dbraw/zinc/08/64/33/1046086433.db2.gz XAUPMIPLCAKZMY-JTQLQIEISA-N 1 1 335.753 4.023 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cc1F ZINC000770293932 1046174103 /nfs/dbraw/zinc/17/41/03/1046174103.db2.gz ZTJNSLLOBPSKEQ-MAUKXSAKSA-N 1 1 348.487 4.041 20 10 EICDMO Oc1ccccc1C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000770504560 1046209771 /nfs/dbraw/zinc/20/97/71/1046209771.db2.gz JFRFJOKRALWWEK-FPOVZHCZSA-N 1 1 325.452 4.261 20 10 EICDMO C[C@]12CC[N@@H+](Cc3c4c(ccc3O)oc3c4CCCC3)C[C@H]1C2(F)F ZINC000793522580 1046262779 /nfs/dbraw/zinc/26/27/79/1046262779.db2.gz DSCFEHPAZBYVFS-MJGOQNOKSA-N 1 1 347.405 4.494 20 10 EICDMO C[N@H+](Cc1ccccc1O)Cc1c(F)cccc1OC(F)(F)F ZINC000793583524 1046302230 /nfs/dbraw/zinc/30/22/30/1046302230.db2.gz FAMWMDKGBYUDQN-UHFFFAOYSA-N 1 1 329.293 4.062 20 10 EICDMO C[N@@H+](Cc1ccccc1O)Cc1c(F)cccc1OC(F)(F)F ZINC000793583524 1046302247 /nfs/dbraw/zinc/30/22/47/1046302247.db2.gz FAMWMDKGBYUDQN-UHFFFAOYSA-N 1 1 329.293 4.062 20 10 EICDMO Cc1cc(C[NH2+]Cc2csc(C)n2)c(C)n1-c1cccc(C)c1 ZINC000916838681 1046382611 /nfs/dbraw/zinc/38/26/11/1046382611.db2.gz QQCRFLVOUUUWJD-UHFFFAOYSA-N 1 1 325.481 4.457 20 10 EICDMO Cc1cccc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)[nH+]1 ZINC000771753374 1046484185 /nfs/dbraw/zinc/48/41/85/1046484185.db2.gz JUPXVXWSUVKPTB-UHFFFAOYSA-N 1 1 333.382 4.072 20 10 EICDMO CCOc1cccc(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)c1O ZINC000771926685 1046518573 /nfs/dbraw/zinc/51/85/73/1046518573.db2.gz GXXIMQXPKGDNQZ-UHFFFAOYSA-N 1 1 339.357 4.442 20 10 EICDMO C[N@@H+](Cc1[nH]nc2ccccc21)Cc1ccc(N2CCCCC2)cc1 ZINC000771935146 1046529387 /nfs/dbraw/zinc/52/93/87/1046529387.db2.gz KRRGXVARQZFQHS-UHFFFAOYSA-N 1 1 334.467 4.185 20 10 EICDMO C[N@H+](Cc1n[nH]c2ccccc21)Cc1ccc(N2CCCCC2)cc1 ZINC000771935146 1046529407 /nfs/dbraw/zinc/52/94/07/1046529407.db2.gz KRRGXVARQZFQHS-UHFFFAOYSA-N 1 1 334.467 4.185 20 10 EICDMO C[N@@H+](Cc1n[nH]c2ccccc21)Cc1ccc(N2CCCCC2)cc1 ZINC000771935146 1046529425 /nfs/dbraw/zinc/52/94/25/1046529425.db2.gz KRRGXVARQZFQHS-UHFFFAOYSA-N 1 1 334.467 4.185 20 10 EICDMO COc1ccccc1OCC[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000917076218 1046641145 /nfs/dbraw/zinc/64/11/45/1046641145.db2.gz HOJDGPDUTKBSPF-UHFFFAOYSA-N 1 1 342.483 4.051 20 10 EICDMO CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132366 1047127328 /nfs/dbraw/zinc/12/73/28/1047127328.db2.gz VOAWEJVQGPMBKV-HNNXBMFYSA-N 1 1 342.270 4.335 20 10 EICDMO CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139452 1047133011 /nfs/dbraw/zinc/13/30/11/1047133011.db2.gz ASUKPLXDARAOGE-GMXABZIVSA-N 1 1 331.287 4.222 20 10 EICDMO CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139452 1047133019 /nfs/dbraw/zinc/13/30/19/1047133019.db2.gz ASUKPLXDARAOGE-GMXABZIVSA-N 1 1 331.287 4.222 20 10 EICDMO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1O ZINC000788503082 1047206812 /nfs/dbraw/zinc/20/68/12/1047206812.db2.gz LVYBYDDMYURUCW-LBPRGKRZSA-N 1 1 338.373 4.328 20 10 EICDMO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1O ZINC000788646243 1047248374 /nfs/dbraw/zinc/24/83/74/1047248374.db2.gz BNUSJETVQSPRAT-SNVBAGLBSA-N 1 1 340.301 4.170 20 10 EICDMO C[C@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1O ZINC000788615164 1047249852 /nfs/dbraw/zinc/24/98/52/1047249852.db2.gz WBIVWGWWPFGKKD-HOTGVXAUSA-N 1 1 328.431 4.099 20 10 EICDMO COc1ccc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)cc1F ZINC000788652572 1047258099 /nfs/dbraw/zinc/25/80/99/1047258099.db2.gz RNRSDHVXAAKMDP-SNVBAGLBSA-N 1 1 343.320 4.410 20 10 EICDMO Cc1cccc([C@H](O)C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)c1 ZINC000788670119 1047266936 /nfs/dbraw/zinc/26/69/36/1047266936.db2.gz RQUCEJCZFOGYES-MLGOLLRUSA-N 1 1 339.357 4.104 20 10 EICDMO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788668660 1047267786 /nfs/dbraw/zinc/26/77/86/1047267786.db2.gz XMSGUCVQMUIEFJ-GWCFXTLKSA-N 1 1 345.386 4.165 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1)oc1ccccc12 ZINC000789513248 1047436005 /nfs/dbraw/zinc/43/60/05/1047436005.db2.gz KMSZMSBIVNRUOS-FXAWDEMLSA-N 1 1 337.419 4.435 20 10 EICDMO Cc1cccn2c(C[N@H+](Cc3ccco3)Cc3ccccc3O)cnc12 ZINC000154727918 1047438337 /nfs/dbraw/zinc/43/83/37/1047438337.db2.gz YVHOHSWDVDSRMS-UHFFFAOYSA-N 1 1 347.418 4.144 20 10 EICDMO Cc1cccn2c(C[N@@H+](Cc3ccco3)Cc3ccccc3O)cnc12 ZINC000154727918 1047438360 /nfs/dbraw/zinc/43/83/60/1047438360.db2.gz YVHOHSWDVDSRMS-UHFFFAOYSA-N 1 1 347.418 4.144 20 10 EICDMO Oc1cc(F)c(F)cc1C[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC001142527278 1047528259 /nfs/dbraw/zinc/52/82/59/1047528259.db2.gz RBZAKCDVHIOBLK-UHFFFAOYSA-N 1 1 345.389 4.030 20 10 EICDMO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H]2CCn3ccnc32)cc1 ZINC000824522360 1047880732 /nfs/dbraw/zinc/88/07/32/1047880732.db2.gz VKCUZYWJRSJXSC-OAQYLSRUSA-N 1 1 346.478 4.144 20 10 EICDMO CC[N@@H+](Cc1c[nH]c2cccc(F)c12)Cc1ccc(N(C)C)cc1 ZINC001136987338 1048031942 /nfs/dbraw/zinc/03/19/42/1048031942.db2.gz UTRPCLYNYPCHTL-UHFFFAOYSA-N 1 1 325.431 4.395 20 10 EICDMO C[N@@H+](Cc1ccccc1O)Cc1ccc(OC(F)(F)F)cc1F ZINC001143791656 1048207037 /nfs/dbraw/zinc/20/70/37/1048207037.db2.gz YGDLQDVNJDKQKS-UHFFFAOYSA-N 1 1 329.293 4.062 20 10 EICDMO Cc1cc(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)ccc1N1CCCCC1 ZINC001170574100 1048284086 /nfs/dbraw/zinc/28/40/86/1048284086.db2.gz WVAMPBWYKMJFIH-QFIPXVFZSA-N 1 1 344.543 4.216 20 10 EICDMO Cc1cc(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)ccc1N1CCCCC1 ZINC001170574097 1048284488 /nfs/dbraw/zinc/28/44/88/1048284488.db2.gz WVAMPBWYKMJFIH-JOCHJYFZSA-N 1 1 344.543 4.216 20 10 EICDMO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)ccc1N(C)C ZINC000815061230 1048315066 /nfs/dbraw/zinc/31/50/66/1048315066.db2.gz NEFQNXLJXRNXIZ-DNVCBOLYSA-N 1 1 330.497 4.085 20 10 EICDMO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)ccc1N(C)C ZINC000815061230 1048315084 /nfs/dbraw/zinc/31/50/84/1048315084.db2.gz NEFQNXLJXRNXIZ-DNVCBOLYSA-N 1 1 330.497 4.085 20 10 EICDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H](O)c1cc2ccccc2o1 ZINC000815112588 1048327678 /nfs/dbraw/zinc/32/76/78/1048327678.db2.gz VGKXFMOXAVNOOH-LJQANCHMSA-N 1 1 339.435 4.474 20 10 EICDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000809700962 1048464270 /nfs/dbraw/zinc/46/42/70/1048464270.db2.gz RVFZPAHFHHJQTC-WIYYLYMNSA-N 1 1 330.516 4.192 20 10 EICDMO Oc1cccc(Cl)c1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000809700117 1048466376 /nfs/dbraw/zinc/46/63/76/1048466376.db2.gz XVHORLSDDCIBNJ-SUMDDJOVSA-N 1 1 343.854 4.050 20 10 EICDMO Oc1ccc(Cl)cc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000809699992 1048466622 /nfs/dbraw/zinc/46/66/22/1048466622.db2.gz VPEBRQGUGGHARZ-CEXWTWQISA-N 1 1 343.854 4.050 20 10 EICDMO COc1ccc(CC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)cc1 ZINC000815552898 1048505683 /nfs/dbraw/zinc/50/56/83/1048505683.db2.gz NDJFJWHRZNDRJS-GFCCVEGCSA-N 1 1 339.357 4.313 20 10 EICDMO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1cccc(C(F)(F)F)c1O ZINC000815583620 1048522542 /nfs/dbraw/zinc/52/25/42/1048522542.db2.gz KJNDNNIGDYGCIE-PBXWNFIWSA-N 1 1 343.389 4.265 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+](Cc2ccccn2)C2CC2)c1 ZINC000809764723 1048524441 /nfs/dbraw/zinc/52/44/41/1048524441.db2.gz YTPPKGHZOCRNLO-UHFFFAOYSA-N 1 1 347.256 4.023 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@@H+](Cc2ccccn2)C2CC2)c1 ZINC000809764723 1048524443 /nfs/dbraw/zinc/52/44/43/1048524443.db2.gz YTPPKGHZOCRNLO-UHFFFAOYSA-N 1 1 347.256 4.023 20 10 EICDMO COCCC1(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CCC1 ZINC000815588875 1048527543 /nfs/dbraw/zinc/52/75/43/1048527543.db2.gz BJSICPHWGWBCFC-LBPRGKRZSA-N 1 1 331.378 4.268 20 10 EICDMO C[C@@H]([NH2+][C@H](CO)C1CCCCC1)c1cccc(C(F)(F)F)c1O ZINC000815595143 1048531072 /nfs/dbraw/zinc/53/10/72/1048531072.db2.gz ISESEQYCKJZLPF-IAQYHMDHSA-N 1 1 331.378 4.003 20 10 EICDMO CC[N@@H+](Cc1ccccc1O)Cc1ccc(O)cc1C(F)(F)F ZINC001144391528 1048626942 /nfs/dbraw/zinc/62/69/42/1048626942.db2.gz ONAYZMGIEYHEEB-UHFFFAOYSA-N 1 1 325.330 4.139 20 10 EICDMO CC[C@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)c1ccc(C(F)(F)F)cc1O ZINC000810227771 1048695519 /nfs/dbraw/zinc/69/55/19/1048695519.db2.gz JBFVQMRVQIDGMG-BMIGLBTASA-N 1 1 341.377 4.114 20 10 EICDMO CC[N@@H+](Cc1ccc(Cl)cc1Cl)Cc1c(O)cc(O)cc1O ZINC001144515523 1048711045 /nfs/dbraw/zinc/71/10/45/1048711045.db2.gz ABQACPKNTBAFQU-UHFFFAOYSA-N 1 1 342.222 4.132 20 10 EICDMO CSC1(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CC[NH+](C)CC1 ZINC000810252957 1048729393 /nfs/dbraw/zinc/72/93/93/1048729393.db2.gz XKYSTRQFHZYWMI-HNNXBMFYSA-N 1 1 344.524 4.023 20 10 EICDMO Oc1ccc(C2=CC[N@H+](Cc3cc(Cl)c(F)cc3O)CC2)cc1 ZINC000816483522 1048812509 /nfs/dbraw/zinc/81/25/09/1048812509.db2.gz VLDDPCKGHBJTES-UHFFFAOYSA-N 1 1 333.790 4.180 20 10 EICDMO Oc1ccc(C2=CC[N@@H+](Cc3cc(Cl)c(F)cc3O)CC2)cc1 ZINC000816483522 1048812513 /nfs/dbraw/zinc/81/25/13/1048812513.db2.gz VLDDPCKGHBJTES-UHFFFAOYSA-N 1 1 333.790 4.180 20 10 EICDMO Oc1ccc(C2CC[NH+](Cc3cc(Cl)c(F)cc3O)CC2)cc1 ZINC000816483645 1048812650 /nfs/dbraw/zinc/81/26/50/1048812650.db2.gz ZMLFVUKDGWKTIV-UHFFFAOYSA-N 1 1 335.806 4.270 20 10 EICDMO CC(C)CCOC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816493495 1048814887 /nfs/dbraw/zinc/81/48/87/1048814887.db2.gz DMCPCIISMDKBFW-UHFFFAOYSA-N 1 1 329.843 4.212 20 10 EICDMO C[N@H+](Cc1ccc2ccccc2c1O)C[C@@H]1OCCc2ccccc21 ZINC000816495846 1048815555 /nfs/dbraw/zinc/81/55/55/1048815555.db2.gz LMVYHNNJPKOZEE-NRFANRHFSA-N 1 1 333.431 4.291 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c(C(F)(F)F)c1 ZINC000846117446 1048815637 /nfs/dbraw/zinc/81/56/37/1048815637.db2.gz PZGJMQGTMMXTBZ-AWEZNQCLSA-N 1 1 334.332 4.003 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000816499695 1048820699 /nfs/dbraw/zinc/82/06/99/1048820699.db2.gz YCCNDAYGASHRRZ-UHFFFAOYSA-N 1 1 341.854 4.498 20 10 EICDMO Oc1c(C[N@H+]2CCO[C@@H](c3ccccc3F)C2)ccc2ccccc21 ZINC000816502231 1048821368 /nfs/dbraw/zinc/82/13/68/1048821368.db2.gz SHQBRSAHWSRSPK-HXUWFJFHSA-N 1 1 337.394 4.258 20 10 EICDMO OCCC[N@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCc2ccccc21 ZINC000816510970 1048822576 /nfs/dbraw/zinc/82/25/76/1048822576.db2.gz KXRQMPIFGPMAOA-SFHVURJKSA-N 1 1 349.833 4.057 20 10 EICDMO OCCC[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCc2ccccc21 ZINC000816510970 1048822578 /nfs/dbraw/zinc/82/25/78/1048822578.db2.gz KXRQMPIFGPMAOA-SFHVURJKSA-N 1 1 349.833 4.057 20 10 EICDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c1O ZINC000846105633 1048822647 /nfs/dbraw/zinc/82/26/47/1048822647.db2.gz XHAKVFJUEXCVOP-AWEZNQCLSA-N 1 1 346.215 4.084 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000816538611 1048827168 /nfs/dbraw/zinc/82/71/68/1048827168.db2.gz YFAFLXIFMXWASU-CQSZACIVSA-N 1 1 342.197 4.452 20 10 EICDMO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816548423 1048827871 /nfs/dbraw/zinc/82/78/71/1048827871.db2.gz HFKPCIHCEIKYBA-XJKSGUPXSA-N 1 1 348.849 4.110 20 10 EICDMO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816548421 1048828909 /nfs/dbraw/zinc/82/89/09/1048828909.db2.gz HFKPCIHCEIKYBA-CJNGLKHVSA-N 1 1 348.849 4.110 20 10 EICDMO CC(C)[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H](O)c1ccccc1 ZINC000816594388 1048832565 /nfs/dbraw/zinc/83/25/65/1048832565.db2.gz BJYAGMFJEQNKKT-ZWKOTPCHSA-N 1 1 337.822 4.033 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000816560083 1048835735 /nfs/dbraw/zinc/83/57/35/1048835735.db2.gz DBTJOWJKMXDPEB-OAHLLOKOSA-N 1 1 339.769 4.327 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000816560665 1048836112 /nfs/dbraw/zinc/83/61/12/1048836112.db2.gz WWTRRULYWAWHGS-FZKQIMNGSA-N 1 1 335.806 4.052 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000816569386 1048837264 /nfs/dbraw/zinc/83/72/64/1048837264.db2.gz JOTZWCDIAAIEAJ-UHFFFAOYSA-N 1 1 342.197 4.063 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000816593685 1048840523 /nfs/dbraw/zinc/84/05/23/1048840523.db2.gz AJBXCXJCQLYXIB-UHFFFAOYSA-N 1 1 336.140 4.406 20 10 EICDMO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2ccccc2c1O ZINC000816600951 1048842045 /nfs/dbraw/zinc/84/20/45/1048842045.db2.gz LZGPRLLDQOKCJJ-MOPGFXCFSA-N 1 1 345.446 4.099 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000816665933 1048851714 /nfs/dbraw/zinc/85/17/14/1048851714.db2.gz AJSCIFGLXYCICL-FGZHOGPDSA-N 1 1 335.447 4.203 20 10 EICDMO C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])cc1 ZINC000817963794 1049069647 /nfs/dbraw/zinc/06/96/47/1049069647.db2.gz VBFLNWYQQPGFPL-VXGBXAGGSA-N 1 1 349.272 4.025 20 10 EICDMO C[C@@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000817985016 1049080259 /nfs/dbraw/zinc/08/02/59/1049080259.db2.gz FNJJSHTVNGUJOF-IEBWSBKVSA-N 1 1 327.516 4.002 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1C(C)C ZINC000811800750 1049271440 /nfs/dbraw/zinc/27/14/40/1049271440.db2.gz BHYFBKJDMXMNPL-INIZCTEOSA-N 1 1 333.863 4.121 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccc(O)c(F)c1 ZINC000813334613 1049754433 /nfs/dbraw/zinc/75/44/33/1049754433.db2.gz RNDXXOYECOFQEE-UHFFFAOYSA-N 1 1 328.431 4.154 20 10 EICDMO C[NH+]1C(C)(C)CC(NCc2ccc(N3CCCCC3)cc2)CC1(C)C ZINC001171620187 1049767126 /nfs/dbraw/zinc/76/71/26/1049767126.db2.gz XWCAFACYHLVGAO-UHFFFAOYSA-N 1 1 343.559 4.418 20 10 EICDMO CN(C)c1ccc(/C=C\C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cc1 ZINC000822529794 1049768618 /nfs/dbraw/zinc/76/86/18/1049768618.db2.gz JGNHKDVSERMQPB-OMUFJYGLSA-N 1 1 340.511 4.047 20 10 EICDMO C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)c1ccc(F)cc1O ZINC000324803631 1049779676 /nfs/dbraw/zinc/77/96/76/1049779676.db2.gz QCUNWLBALQFPRC-KXBFYZLASA-N 1 1 328.431 4.019 20 10 EICDMO C[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)c1ccc(F)cc1O ZINC000324803628 1049779794 /nfs/dbraw/zinc/77/97/94/1049779794.db2.gz QCUNWLBALQFPRC-BEFAXECRSA-N 1 1 328.431 4.019 20 10 EICDMO COc1ccc(O)c(CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c1 ZINC000823871288 1049883197 /nfs/dbraw/zinc/88/31/97/1049883197.db2.gz FZOBCOXBKKODQU-UHFFFAOYSA-N 1 1 348.531 4.170 20 10 EICDMO Cc1cccc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c1O ZINC000180649674 1049921601 /nfs/dbraw/zinc/92/16/01/1049921601.db2.gz YGTYMCWBAGUXAK-LJQANCHMSA-N 1 1 337.419 4.029 20 10 EICDMO Oc1c(F)cc(F)cc1C[NH2+]CCOc1cccc(Cl)c1Cl ZINC001177449354 1050211066 /nfs/dbraw/zinc/21/10/66/1050211066.db2.gz CKWNHWYWCPXQMR-UHFFFAOYSA-N 1 1 348.176 4.146 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1ccco1)Cc1cccc2c[nH]nc21 ZINC000154707208 1050265588 /nfs/dbraw/zinc/26/55/88/1050265588.db2.gz LKTRFMBWIAHBHZ-UHFFFAOYSA-N 1 1 333.391 4.064 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2c(C)cccc2C)c1 ZINC001178280704 1050426616 /nfs/dbraw/zinc/42/66/16/1050426616.db2.gz PLXGHZPJUXEJSN-UHFFFAOYSA-N 1 1 334.257 4.370 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCc1ccccc1OC(F)F ZINC001178510127 1050484789 /nfs/dbraw/zinc/48/47/89/1050484789.db2.gz UPTSZHHHGFIJQV-UHFFFAOYSA-N 1 1 345.748 4.118 20 10 EICDMO CC1(C)C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)c2cc(F)ccc2O1 ZINC001179085870 1050629586 /nfs/dbraw/zinc/62/95/86/1050629586.db2.gz HVXKDIMYQSTTFD-OAHLLOKOSA-N 1 1 337.341 4.202 20 10 EICDMO CN(C)c1ccc(/C=C/CNC[C@H]2CC[N@@H+]2C2CCCCCC2)cc1 ZINC001179386100 1050686537 /nfs/dbraw/zinc/68/65/37/1050686537.db2.gz HJWMHLHTIQSRMQ-VQKOGROQSA-N 1 1 341.543 4.153 20 10 EICDMO CN(C)c1ccc(/C=C/CNC[C@H]2CC[N@H+]2C2CCCCCC2)cc1 ZINC001179386100 1050686542 /nfs/dbraw/zinc/68/65/42/1050686542.db2.gz HJWMHLHTIQSRMQ-VQKOGROQSA-N 1 1 341.543 4.153 20 10 EICDMO CCOC(=O)CC(C)(C)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC001179845051 1050796745 /nfs/dbraw/zinc/79/67/45/1050796745.db2.gz IJEZLONEKWOPHJ-UHFFFAOYSA-N 1 1 346.515 4.088 20 10 EICDMO COc1nc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)ccc1C ZINC001179845342 1050797944 /nfs/dbraw/zinc/79/79/44/1050797944.db2.gz PJTDZVXWOKMQEX-UHFFFAOYSA-N 1 1 339.483 4.021 20 10 EICDMO CCc1nc(C)c(C[N@H+](Cc2ccco2)Cc2ccccc2O)o1 ZINC000794413225 1050833708 /nfs/dbraw/zinc/83/37/08/1050833708.db2.gz UJOSTCHBCMIRPF-UHFFFAOYSA-N 1 1 326.396 4.046 20 10 EICDMO CCc1nc(C)c(C[N@@H+](Cc2ccco2)Cc2ccccc2O)o1 ZINC000794413225 1050833714 /nfs/dbraw/zinc/83/37/14/1050833714.db2.gz UJOSTCHBCMIRPF-UHFFFAOYSA-N 1 1 326.396 4.046 20 10 EICDMO Cc1cc(O)c(C[N@@H+](C)CCCOc2ccc(F)cc2)cc1Cl ZINC001179988163 1050842677 /nfs/dbraw/zinc/84/26/77/1050842677.db2.gz AXZAFLSMDPMZFL-UHFFFAOYSA-N 1 1 337.822 4.394 20 10 EICDMO COc1ccc2ccc(O)c(C[N@@H+](C)C[C@H](C)c3nccs3)c2c1 ZINC000182855563 1050853722 /nfs/dbraw/zinc/85/37/22/1050853722.db2.gz YCKBSAXHLJYFLJ-ZDUSSCGKSA-N 1 1 342.464 4.246 20 10 EICDMO CCc1cccc(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1O ZINC001180030975 1050859825 /nfs/dbraw/zinc/85/98/25/1050859825.db2.gz RTOCFUXICHEURV-MSOLQXFVSA-N 1 1 330.516 4.041 20 10 EICDMO CCc1cccc(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1O ZINC001180030975 1050859831 /nfs/dbraw/zinc/85/98/31/1050859831.db2.gz RTOCFUXICHEURV-MSOLQXFVSA-N 1 1 330.516 4.041 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCSC2(CCCCC2)C1 ZINC001180058499 1050871143 /nfs/dbraw/zinc/87/11/43/1050871143.db2.gz SLNWCPJBUCMOJL-UHFFFAOYSA-N 1 1 329.868 4.436 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCSC2(CCCCC2)C1 ZINC001180058499 1050871150 /nfs/dbraw/zinc/87/11/50/1050871150.db2.gz SLNWCPJBUCMOJL-UHFFFAOYSA-N 1 1 329.868 4.436 20 10 EICDMO Cc1cc(O)c(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)c(Cl)c1 ZINC001180077236 1050875598 /nfs/dbraw/zinc/87/55/98/1050875598.db2.gz OCNPRRCWLXYCCY-YVEFUNNKSA-N 1 1 337.872 4.378 20 10 EICDMO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1cc(F)c(F)cc1O ZINC001205418144 1050878232 /nfs/dbraw/zinc/87/82/32/1050878232.db2.gz RSFQTZOJOZXUNY-UHFFFAOYSA-N 1 1 331.284 4.287 20 10 EICDMO COC(=O)c1c(C[N@H+]2CCC[C@@H]2CC(C)C)c2cc(F)ccc2n1C ZINC001180128943 1050881863 /nfs/dbraw/zinc/88/18/63/1050881863.db2.gz DPHIRPJGMJEJIL-OAHLLOKOSA-N 1 1 346.446 4.115 20 10 EICDMO COc1ccc(C[C@H]2CC[N@H+]2C/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001180115666 1050889970 /nfs/dbraw/zinc/88/99/70/1050889970.db2.gz BMQLVOIZPJCJBF-KTBYTZPXSA-N 1 1 336.479 4.091 20 10 EICDMO CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCS1 ZINC001180198673 1050926052 /nfs/dbraw/zinc/92/60/52/1050926052.db2.gz HCVAQZIHFUGFRS-CQSZACIVSA-N 1 1 332.435 4.099 20 10 EICDMO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1c(O)ccc(Cl)c1F ZINC001180479752 1051000543 /nfs/dbraw/zinc/00/05/43/1051000543.db2.gz RSXPZFXOYXROLX-UHFFFAOYSA-N 1 1 336.838 4.273 20 10 EICDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1c(O)ccc(Cl)c1F ZINC001180479752 1051000560 /nfs/dbraw/zinc/00/05/60/1051000560.db2.gz RSXPZFXOYXROLX-UHFFFAOYSA-N 1 1 336.838 4.273 20 10 EICDMO C[C@H](C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1)c1nccs1 ZINC000183250829 1051039382 /nfs/dbraw/zinc/03/93/82/1051039382.db2.gz IDOVBNOYXRFTSH-MRXNPFEDSA-N 1 1 329.513 4.369 20 10 EICDMO COc1ccc(-c2ccncc2)cc1CNc1ccc2c(c1)[nH+]cn2C ZINC000775313585 1051064844 /nfs/dbraw/zinc/06/48/44/1051064844.db2.gz GINNQWOILWQRGW-UHFFFAOYSA-N 1 1 344.418 4.256 20 10 EICDMO CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(N(C)C)cc1C ZINC001180961690 1051120759 /nfs/dbraw/zinc/12/07/59/1051120759.db2.gz GDNUTUIPHUHWLU-QFIPXVFZSA-N 1 1 340.511 4.224 20 10 EICDMO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(Cl)cc1O ZINC001180962003 1051121944 /nfs/dbraw/zinc/12/19/44/1051121944.db2.gz IZLMMFCSBSVBPM-LJQANCHMSA-N 1 1 333.859 4.209 20 10 EICDMO COc1cccc(OCC[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC001190436419 1051186188 /nfs/dbraw/zinc/18/61/88/1051186188.db2.gz FAMHDDBMWRWRAZ-UHFFFAOYSA-N 1 1 342.483 4.051 20 10 EICDMO Oc1c(F)cc(F)cc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC001181600541 1051258550 /nfs/dbraw/zinc/25/85/50/1051258550.db2.gz MPPIPIJMNYYQQC-LMMKCTJWSA-N 1 1 329.390 4.439 20 10 EICDMO Oc1c(F)cc(F)cc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC001181600541 1051258565 /nfs/dbraw/zinc/25/85/65/1051258565.db2.gz MPPIPIJMNYYQQC-LMMKCTJWSA-N 1 1 329.390 4.439 20 10 EICDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCCO1 ZINC001182097932 1051399115 /nfs/dbraw/zinc/39/91/15/1051399115.db2.gz BFWQJUIVRHJJPT-QGZVFWFLSA-N 1 1 344.421 4.018 20 10 EICDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000183801388 1051441725 /nfs/dbraw/zinc/44/17/25/1051441725.db2.gz LNHRJEYYNYQIKK-INIZCTEOSA-N 1 1 341.451 4.099 20 10 EICDMO C[C@@H]([NH2+]CCc1ccccc1O)c1cc(Cl)c(Cl)cc1O ZINC000774164756 1051488472 /nfs/dbraw/zinc/48/84/72/1051488472.db2.gz XKOQAZLFMRBGBF-SNVBAGLBSA-N 1 1 326.223 4.298 20 10 EICDMO C[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1cc(Cl)c(Cl)cc1O ZINC000774204545 1051498922 /nfs/dbraw/zinc/49/89/22/1051498922.db2.gz IPEOCSAAKOJFKC-VIFPVBQESA-N 1 1 334.243 4.081 20 10 EICDMO C[N@@H+](Cc1ccccc1O)Cc1cccc(Br)c1Cl ZINC001191682318 1051507763 /nfs/dbraw/zinc/50/77/63/1051507763.db2.gz PMVISXMWEPYYRB-UHFFFAOYSA-N 1 1 340.648 4.440 20 10 EICDMO COc1cc(C)c(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2C)c(O)c1 ZINC001182345829 1051513110 /nfs/dbraw/zinc/51/31/10/1051513110.db2.gz RYLLZOAXOCOUMM-LJQANCHMSA-N 1 1 329.415 4.494 20 10 EICDMO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cc(Cl)c(Cl)cc1O ZINC000774271291 1051540814 /nfs/dbraw/zinc/54/08/14/1051540814.db2.gz IOLAIGPHQILJRY-KTCLOZQLSA-N 1 1 342.266 4.307 20 10 EICDMO CO[C@@H](CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)C(F)(F)F ZINC000774376052 1051566114 /nfs/dbraw/zinc/56/61/14/1051566114.db2.gz XAHFNWOJLPUKEE-MADCSZMMSA-N 1 1 346.176 4.317 20 10 EICDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)[C@H]1C ZINC001182452509 1051579668 /nfs/dbraw/zinc/57/96/68/1051579668.db2.gz OFYYEMKTNZJHGQ-ZACQAIPSSA-N 1 1 325.452 4.448 20 10 EICDMO CCOC(=O)CCC[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC001192316288 1051689908 /nfs/dbraw/zinc/68/99/08/1051689908.db2.gz YCQLUPDFJCVEBH-KRWDZBQOSA-N 1 1 341.451 4.299 20 10 EICDMO Oc1cccc2c1C[N@H+](Cc1cnc(CCc3ccccc3)s1)C2 ZINC001183454808 1051847175 /nfs/dbraw/zinc/84/71/75/1051847175.db2.gz OPEVTQSYCVRFDX-UHFFFAOYSA-N 1 1 336.460 4.150 20 10 EICDMO Oc1cccc2c1C[N@@H+](Cc1cnc(CCc3ccccc3)s1)C2 ZINC001183454808 1051847180 /nfs/dbraw/zinc/84/71/80/1051847180.db2.gz OPEVTQSYCVRFDX-UHFFFAOYSA-N 1 1 336.460 4.150 20 10 EICDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1ccccc1 ZINC001176036456 1051881893 /nfs/dbraw/zinc/88/18/93/1051881893.db2.gz MPUDCRIJWJXYSS-AVRDEDQJSA-N 1 1 336.479 4.106 20 10 EICDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC001183787439 1051897745 /nfs/dbraw/zinc/89/77/45/1051897745.db2.gz AAVQFQMTBKFEMW-INIZCTEOSA-N 1 1 330.422 4.329 20 10 EICDMO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC001183865181 1051917792 /nfs/dbraw/zinc/91/77/92/1051917792.db2.gz QBFUETWXQILOFC-CYBMUJFWSA-N 1 1 348.899 4.370 20 10 EICDMO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC001183865182 1051918220 /nfs/dbraw/zinc/91/82/20/1051918220.db2.gz QBFUETWXQILOFC-ZDUSSCGKSA-N 1 1 348.899 4.370 20 10 EICDMO Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)ccc1N1CCCCC1 ZINC001194306893 1052125474 /nfs/dbraw/zinc/12/54/74/1052125474.db2.gz MXRLJKBIUUXHPJ-RTWAWAEBSA-N 1 1 328.500 4.129 20 10 EICDMO CC[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC001194335855 1052133738 /nfs/dbraw/zinc/13/37/38/1052133738.db2.gz GCVCENGEKLPKTB-ZWKOTPCHSA-N 1 1 330.516 4.312 20 10 EICDMO C[C@@H](CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000774821140 1052170570 /nfs/dbraw/zinc/17/05/70/1052170570.db2.gz NMXHSXJMNPQFPU-IBGZPJMESA-N 1 1 338.495 4.149 20 10 EICDMO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1ccc(F)cc1O)O[C@@H](C)C2 ZINC000184897938 1052297955 /nfs/dbraw/zinc/29/79/55/1052297955.db2.gz STXPLNFDPSDEHP-STQMWFEESA-N 1 1 345.414 4.104 20 10 EICDMO C[C@H]([NH2+]CCCCOCCc1ccccc1)c1ccc(F)cc1O ZINC000185072810 1052392271 /nfs/dbraw/zinc/39/22/71/1052392271.db2.gz TYJYBWSCEYIVEW-INIZCTEOSA-N 1 1 331.431 4.221 20 10 EICDMO C[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1ccc(F)cc1O ZINC000185318440 1052580419 /nfs/dbraw/zinc/58/04/19/1052580419.db2.gz WGTWPTCMKCFWEI-LBPRGKRZSA-N 1 1 334.460 4.150 20 10 EICDMO COc1ccc(O)c([C@H](C)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1 ZINC000185447460 1052606676 /nfs/dbraw/zinc/60/66/76/1052606676.db2.gz GLUCMBUGCNUGJD-HOTGVXAUSA-N 1 1 342.483 4.181 20 10 EICDMO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](C)c2nccn2C)cc1 ZINC000850410553 1053181105 /nfs/dbraw/zinc/18/11/05/1053181105.db2.gz PWNYCGOHPWYAGB-GOSISDBHSA-N 1 1 348.494 4.297 20 10 EICDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000794654901 1053249572 /nfs/dbraw/zinc/24/95/72/1053249572.db2.gz JMZSDWHOQPOQLM-FQEVSTJZSA-N 1 1 325.408 4.293 20 10 EICDMO C[C@H](COc1c(F)cccc1F)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000850522441 1053281762 /nfs/dbraw/zinc/28/17/62/1053281762.db2.gz DTDNJNKZBRUJER-NXEZZACHSA-N 1 1 343.320 4.067 20 10 EICDMO C[C@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000764742646 1053284490 /nfs/dbraw/zinc/28/44/90/1053284490.db2.gz AIVBUHYRRVVSPR-PGRDOPGGSA-N 1 1 337.511 4.240 20 10 EICDMO CC[C@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000764809141 1053322678 /nfs/dbraw/zinc/32/26/78/1053322678.db2.gz ICRWARHISJJFAD-LEWJYISDSA-N 1 1 348.494 4.316 20 10 EICDMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2cc(OC)ccc2O)cc1 ZINC000775646256 1053324797 /nfs/dbraw/zinc/32/47/97/1053324797.db2.gz GEIFZLOGZPEVNP-IBGZPJMESA-N 1 1 327.424 4.137 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccc3c(c2)ncn3C)cc1 ZINC000775647637 1053369015 /nfs/dbraw/zinc/36/90/15/1053369015.db2.gz WJHXKQQCKMPXLM-UHFFFAOYSA-N 1 1 336.483 4.052 20 10 EICDMO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1O ZINC000775649558 1053377878 /nfs/dbraw/zinc/37/78/78/1053377878.db2.gz LGDMFELDSCRJIS-QGZVFWFLSA-N 1 1 335.806 4.067 20 10 EICDMO Cc1cc(Cl)cc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1O ZINC000775649558 1053377890 /nfs/dbraw/zinc/37/78/90/1053377890.db2.gz LGDMFELDSCRJIS-QGZVFWFLSA-N 1 1 335.806 4.067 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CCC[C@@]2(C)Cc2ccccc2F)cc1 ZINC001195463973 1053408420 /nfs/dbraw/zinc/40/84/20/1053408420.db2.gz QKIUYTDRZSFAKI-NRFANRHFSA-N 1 1 326.459 4.489 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000775667582 1053460410 /nfs/dbraw/zinc/46/04/10/1053460410.db2.gz LPSKBRNIWYLYDA-INIZCTEOSA-N 1 1 326.440 4.022 20 10 EICDMO CN(c1ccc(C[NH2+]Cc2cn(C3CC3)cn2)cc1)C1CCCCC1 ZINC000865435431 1053505425 /nfs/dbraw/zinc/50/54/25/1053505425.db2.gz IJEMIEGZWDRWJE-UHFFFAOYSA-N 1 1 338.499 4.277 20 10 EICDMO CC[C@@H](CC(F)F)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000851841917 1053524414 /nfs/dbraw/zinc/52/44/14/1053524414.db2.gz ZUMARYQPOJIVDK-HOCLYGCPSA-N 1 1 327.415 4.055 20 10 EICDMO Cn1cnc2cc(C[N@@H+](Cc3ccccc3O)C3CCCC3)ccc21 ZINC000775692570 1053612536 /nfs/dbraw/zinc/61/25/36/1053612536.db2.gz YKPNITHSTGNDIR-UHFFFAOYSA-N 1 1 335.451 4.224 20 10 EICDMO C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc2ccccc2c1[O-] ZINC000853240639 1053657844 /nfs/dbraw/zinc/65/78/44/1053657844.db2.gz PTGKTYFXBASQFC-FUHWJXTLSA-N 1 1 338.495 4.318 20 10 EICDMO C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2ccccc2c1[O-] ZINC000853240639 1053657846 /nfs/dbraw/zinc/65/78/46/1053657846.db2.gz PTGKTYFXBASQFC-FUHWJXTLSA-N 1 1 338.495 4.318 20 10 EICDMO CC[C@@H]1C[C@H](C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000780754943 1053668506 /nfs/dbraw/zinc/66/85/06/1053668506.db2.gz RKTKSALUYRBSST-TZIWHRDSSA-N 1 1 330.516 4.314 20 10 EICDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000775726095 1053696989 /nfs/dbraw/zinc/69/69/89/1053696989.db2.gz WHEIXEBFNJMTPM-GOSISDBHSA-N 1 1 343.467 4.171 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1cc(F)cc(F)c1O ZINC000866541682 1053776496 /nfs/dbraw/zinc/77/64/96/1053776496.db2.gz QXNDJFADJCYEPH-MRVPVSSYSA-N 1 1 347.283 4.262 20 10 EICDMO CN(C)c1ccc(/C=C/CN[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC001198900698 1054292070 /nfs/dbraw/zinc/29/20/70/1054292070.db2.gz KFPZWPXOVOHIDU-UPWIVDSGSA-N 1 1 349.522 4.193 20 10 EICDMO Cc1cccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)c1O ZINC000775992864 1054433989 /nfs/dbraw/zinc/43/39/89/1054433989.db2.gz ZJOFKPRSBJIGEA-KRWDZBQOSA-N 1 1 335.806 4.067 20 10 EICDMO Cc1cccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)c1O ZINC000775992864 1054434002 /nfs/dbraw/zinc/43/40/02/1054434002.db2.gz ZJOFKPRSBJIGEA-KRWDZBQOSA-N 1 1 335.806 4.067 20 10 EICDMO Cc1cccc(OCC[N@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)c1 ZINC000105154290 1054435217 /nfs/dbraw/zinc/43/52/17/1054435217.db2.gz HFUXSQCGGVDVFK-UHFFFAOYSA-N 1 1 343.467 4.215 20 10 EICDMO COC(=O)/C(C)=C/C[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000776012068 1054445273 /nfs/dbraw/zinc/44/52/73/1054445273.db2.gz XUPRCAOSUFBHGT-HJUDDPQBSA-N 1 1 339.435 4.075 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]2CCC[C@@H](C)C2)c1 ZINC001199761215 1054463413 /nfs/dbraw/zinc/46/34/13/1054463413.db2.gz VFZIPILSOVIAPU-DGCLKSJQSA-N 1 1 326.278 4.379 20 10 EICDMO C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc2ccccc2c1[O-] ZINC000873235812 1054511379 /nfs/dbraw/zinc/51/13/79/1054511379.db2.gz RFQXVIPXZSVVQC-HNNXBMFYSA-N 1 1 332.447 4.042 20 10 EICDMO Cc1cc([C@H](C)[NH2+]Cc2cc(C)n(-c3cccc(C)c3)c2C)nn1C ZINC000858543995 1054512289 /nfs/dbraw/zinc/51/22/89/1054512289.db2.gz XKCHUCWBULSDQF-KRWDZBQOSA-N 1 1 336.483 4.295 20 10 EICDMO Cc1cc([C@@H](C)[NH2+]Cc2cc(C)n(-c3cccc(C)c3)c2C)nn1C ZINC000858543997 1054512747 /nfs/dbraw/zinc/51/27/47/1054512747.db2.gz XKCHUCWBULSDQF-QGZVFWFLSA-N 1 1 336.483 4.295 20 10 EICDMO Cc1[nH+]ccn1CCCCSc1ncc(-c2ccccc2)n1C ZINC000124639024 1054584910 /nfs/dbraw/zinc/58/49/10/1054584910.db2.gz CZKIVCPOWTWLDZ-UHFFFAOYSA-N 1 1 326.469 4.165 20 10 EICDMO CC(=O)c1cc(F)cc(C[NH2+]C2(c3c(F)cccc3F)CCC2)c1O ZINC000860201639 1054787035 /nfs/dbraw/zinc/78/70/35/1054787035.db2.gz KVPWLTYIFVFJJR-UHFFFAOYSA-N 1 1 349.352 4.181 20 10 EICDMO OC1CCN(c2ccc(C[N@H+]3CCC[C@H]3c3ccsc3)cc2)CC1 ZINC000876579807 1054933360 /nfs/dbraw/zinc/93/33/60/1054933360.db2.gz LZTJPKKGTMWIDO-FQEVSTJZSA-N 1 1 342.508 4.046 20 10 EICDMO CC1CCN(c2ccc(C[NH2+]Cc3nc4ccccc4o3)cc2)CC1 ZINC000877024371 1055002755 /nfs/dbraw/zinc/00/27/55/1055002755.db2.gz BOXGDPXEHIDEQF-UHFFFAOYSA-N 1 1 335.451 4.354 20 10 EICDMO COc1cc(C[N@@H+](Cc2ccccn2)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000825934064 1055019097 /nfs/dbraw/zinc/01/90/97/1055019097.db2.gz GAKHHOLQXKBHLG-UHFFFAOYSA-N 1 1 340.467 4.258 20 10 EICDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862326515 1055050175 /nfs/dbraw/zinc/05/01/75/1055050175.db2.gz PHNJHGWHDYWCGU-WBMJQRKESA-N 1 1 347.256 4.133 20 10 EICDMO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1cc(C)ccc1C ZINC000862528751 1055078618 /nfs/dbraw/zinc/07/86/18/1055078618.db2.gz IAQNHYLGVRJZNN-MRXNPFEDSA-N 1 1 344.411 4.167 20 10 EICDMO C[N@H+](Cc1nc2ccccc2o1)Cc1ccc(N2CCCCC2)cc1 ZINC000741711421 1058346108 /nfs/dbraw/zinc/34/61/08/1058346108.db2.gz MDSACIBSLBBASO-UHFFFAOYSA-N 1 1 335.451 4.450 20 10 EICDMO C[N@@H+](Cc1nc2ccccc2o1)Cc1ccc(N2CCCCC2)cc1 ZINC000741711421 1058346133 /nfs/dbraw/zinc/34/61/33/1058346133.db2.gz MDSACIBSLBBASO-UHFFFAOYSA-N 1 1 335.451 4.450 20 10 EICDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)c1 ZINC000742164139 1058525597 /nfs/dbraw/zinc/52/55/97/1058525597.db2.gz CTWFQSRYUHGKSH-GOSISDBHSA-N 1 1 347.499 4.319 20 10 EICDMO CC[NH+](CC)C[C@H]1CCN(Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000743388163 1058970020 /nfs/dbraw/zinc/97/00/20/1058970020.db2.gz NSXMOQRYDACZBX-QGZVFWFLSA-N 1 1 332.532 4.162 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CCOC[C@H]2c2ccccc2)cc1C(C)C ZINC000743402472 1058983263 /nfs/dbraw/zinc/98/32/63/1058983263.db2.gz JRIZDICHAKLPBH-FQEVSTJZSA-N 1 1 325.452 4.398 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCOC[C@H]2c2ccccc2)cc1C(C)C ZINC000743402472 1058983287 /nfs/dbraw/zinc/98/32/87/1058983287.db2.gz JRIZDICHAKLPBH-FQEVSTJZSA-N 1 1 325.452 4.398 20 10 EICDMO Cc1cc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000746382963 1060263311 /nfs/dbraw/zinc/26/33/11/1060263311.db2.gz QELJXBZNGHAELT-GOSISDBHSA-N 1 1 344.543 4.162 20 10 EICDMO Cc1cc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000746382963 1060263331 /nfs/dbraw/zinc/26/33/31/1060263331.db2.gz QELJXBZNGHAELT-GOSISDBHSA-N 1 1 344.543 4.162 20 10 EICDMO CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000367490463 522756031 /nfs/dbraw/zinc/75/60/31/522756031.db2.gz OPWBUPHLMFLMAJ-ZENOOKHLSA-N 1 1 343.298 4.367 20 10 EICDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000179917107 1032576780 /nfs/dbraw/zinc/57/67/80/1032576780.db2.gz HSTLIODMDSEFLR-CYBMUJFWSA-N 1 1 326.371 4.052 20 10 EICDMO Cc1cc(F)ccc1[C@H](O)C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC001167108824 1020186468 /nfs/dbraw/zinc/18/64/68/1020186468.db2.gz UUWYIISIPBSHJV-OAQYLSRUSA-N 1 1 344.474 4.144 20 10 EICDMO CN(C)c1ccc(C[N@@H+](CCCc2cccc(F)c2)C2CC2)cc1 ZINC001167108922 1020187595 /nfs/dbraw/zinc/18/75/95/1020187595.db2.gz WAEMHLDTCBXAHA-UHFFFAOYSA-N 1 1 326.459 4.489 20 10 EICDMO CC(C)CC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001167906595 1032984205 /nfs/dbraw/zinc/98/42/05/1032984205.db2.gz YBYBOPWBUVILKV-FQEVSTJZSA-N 1 1 330.516 4.314 20 10 EICDMO C[N@H+](Cc1nc(-c2c(F)cccc2F)cs1)Cc1ccccc1O ZINC000160540024 1022171376 /nfs/dbraw/zinc/17/13/76/1022171376.db2.gz KAMBIMGPORIYOX-UHFFFAOYSA-N 1 1 346.402 4.426 20 10 EICDMO C[N@@H+](Cc1nc(-c2c(F)cccc2F)cs1)Cc1ccccc1O ZINC000160540024 1022171386 /nfs/dbraw/zinc/17/13/86/1022171386.db2.gz KAMBIMGPORIYOX-UHFFFAOYSA-N 1 1 346.402 4.426 20 10 EICDMO C[N@H+]1CCCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000588383340 1022269704 /nfs/dbraw/zinc/26/97/04/1022269704.db2.gz GKBKKXJVFJKWJC-UHFFFAOYSA-N 1 1 337.427 4.271 20 10 EICDMO COc1ccc(O)c(C[N@@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)c1 ZINC000180617780 1022521616 /nfs/dbraw/zinc/52/16/16/1022521616.db2.gz PXORQHGAPIDWID-ZDUSSCGKSA-N 1 1 334.485 4.482 20 10 EICDMO C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000311208055 1023002358 /nfs/dbraw/zinc/00/23/58/1023002358.db2.gz NSJWNWNQGQRNPL-AEFFLSMTSA-N 1 1 342.458 4.094 20 10 EICDMO C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000311222991 1023005858 /nfs/dbraw/zinc/00/58/58/1023005858.db2.gz VSSLZPKTRBHDSV-AEFFLSMTSA-N 1 1 342.458 4.094 20 10 EICDMO C[C@@H]([NH2+]Cc1c(O)cccc1Cl)c1nccn1-c1ccccc1 ZINC000377395458 1023507842 /nfs/dbraw/zinc/50/78/42/1023507842.db2.gz CCCCRSJAUJREKY-CYBMUJFWSA-N 1 1 327.815 4.082 20 10 EICDMO COc1cccc(C[N@@H+](CCC(F)(F)F)Cc2ccccc2)c1O ZINC000191782222 1023575487 /nfs/dbraw/zinc/57/54/87/1023575487.db2.gz UIDFXQUMCQFCSS-UHFFFAOYSA-N 1 1 339.357 4.355 20 10 EICDMO COc1ccc(C[N@@H+]([C@@H](C)c2ccccc2)C2CC2)c(O)c1OC ZINC000891591793 1023804293 /nfs/dbraw/zinc/80/42/93/1023804293.db2.gz FTRQWGNWKBKGIS-AWEZNQCLSA-N 1 1 327.424 4.135 20 10 EICDMO CCOc1cccc(C[N@H+]2CCC[C@@H]2CC(=O)c2ccccc2)c1O ZINC000093667854 1024714704 /nfs/dbraw/zinc/71/47/04/1024714704.db2.gz RYTKNVUWRYUGDH-GOSISDBHSA-N 1 1 339.435 4.028 20 10 EICDMO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H](C)c2ccc(N(C)CC)cc2)[nH]1 ZINC000277256328 1025405849 /nfs/dbraw/zinc/40/58/49/1025405849.db2.gz OLMXYEPXSBKCCE-ZNMIVQPWSA-N 1 1 329.492 4.186 20 10 EICDMO C[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)Cc1ccccc1O ZINC000091974461 1025544996 /nfs/dbraw/zinc/54/49/96/1025544996.db2.gz LJCIOSDDWPXVKW-UHFFFAOYSA-N 1 1 327.815 4.068 20 10 EICDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1c(O)ccc2ccncc21 ZINC000728897713 1026198939 /nfs/dbraw/zinc/19/89/39/1026198939.db2.gz AOIZZBNLWYKUJA-UHFFFAOYSA-N 1 1 349.478 4.417 20 10 EICDMO C[N@H+](Cc1cc2oc3ccccc3c2cc1[O-])CC1CC[NH+](C)CC1 ZINC000728906961 1026611017 /nfs/dbraw/zinc/61/10/17/1026611017.db2.gz OIMBRDQITVLTHA-UHFFFAOYSA-N 1 1 338.451 4.065 20 10 EICDMO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000185675660 1030212320 /nfs/dbraw/zinc/21/23/20/1030212320.db2.gz RDEWMZHONOBWQK-UONOGXRCSA-N 1 1 339.414 4.437 20 10 EICDMO CC(C)c1ncc2c(n1)CC[N@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000527614275 1030778955 /nfs/dbraw/zinc/77/89/55/1030778955.db2.gz WSLJFLJAGHOKKM-UHFFFAOYSA-N 1 1 333.435 4.017 20 10 EICDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)[C@@H](C)C1 ZINC001167686136 1030995922 /nfs/dbraw/zinc/99/59/22/1030995922.db2.gz NUIJLGBUICNMJA-PZJWPPBQSA-N 1 1 343.559 4.147 20 10 EICDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)[C@@H](C)C1 ZINC001167686136 1030995947 /nfs/dbraw/zinc/99/59/47/1030995947.db2.gz NUIJLGBUICNMJA-PZJWPPBQSA-N 1 1 343.559 4.147 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cccc(NC(C)=O)c2)cc1 ZINC000726067009 1034269197 /nfs/dbraw/zinc/26/91/97/1034269197.db2.gz IMYBAYCRUUGYMJ-UHFFFAOYSA-N 1 1 339.483 4.123 20 10 EICDMO COc1ccc(C[N@@H+](Cc2cc(Cl)cc(OC)c2O)C2CC2)cc1 ZINC000761184107 1035901854 /nfs/dbraw/zinc/90/18/54/1035901854.db2.gz QAXVGVZGQHTHQW-UHFFFAOYSA-N 1 1 347.842 4.227 20 10 EICDMO CCOc1cccc(C[N@H+]2CCCCC[C@H]2c2ccncc2)c1O ZINC000157015271 1036780368 /nfs/dbraw/zinc/78/03/68/1036780368.db2.gz VSFAJLJQYTWZGN-SFHVURJKSA-N 1 1 326.440 4.303 20 10 EICDMO Cc1ccc([C@@H](C)[NH2+][C@H](c2nccn2C)c2ccc(F)cc2)c(O)c1 ZINC000273401627 1037453006 /nfs/dbraw/zinc/45/30/06/1037453006.db2.gz NEKCRMYIEVBKTA-KUHUBIRLSA-N 1 1 339.414 4.013 20 10 EICDMO CO[C@H](C)c1nc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)cs1 ZINC000273621525 1037530087 /nfs/dbraw/zinc/53/00/87/1037530087.db2.gz ZEXXIFADJGSZBV-VHSXEESVSA-N 1 1 326.849 4.060 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H](C)CC(C)(C)C2)c1 ZINC001204960547 1037738561 /nfs/dbraw/zinc/73/85/61/1037738561.db2.gz CLBHTUZOJTWANR-LBPRGKRZSA-N 1 1 326.278 4.331 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H](C)CC(C)(C)C2)c1 ZINC001204960547 1037738580 /nfs/dbraw/zinc/73/85/80/1037738580.db2.gz CLBHTUZOJTWANR-LBPRGKRZSA-N 1 1 326.278 4.331 20 10 EICDMO CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000151094744 1038667254 /nfs/dbraw/zinc/66/72/54/1038667254.db2.gz MVVNZLXQXFFABM-RBUKOAKNSA-N 1 1 329.532 4.059 20 10 EICDMO CCC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC001167961121 1041465561 /nfs/dbraw/zinc/46/55/61/1041465561.db2.gz ZMJYJVZRHQFQJZ-GOSISDBHSA-N 1 1 330.516 4.314 20 10 EICDMO COc1ccc(N2CCC[N@H+]([C@H](C)c3cc(F)ccc3F)CC2)cc1 ZINC000108409827 1041732629 /nfs/dbraw/zinc/73/26/29/1041732629.db2.gz PHYIWGQFLJHUFQ-OAHLLOKOSA-N 1 1 346.421 4.247 20 10 EICDMO CC(C)COC[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1ccco1 ZINC000152579313 1042905146 /nfs/dbraw/zinc/90/51/46/1042905146.db2.gz ZOLAFSLHXSXZMZ-APWZRJJASA-N 1 1 330.472 4.410 20 10 EICDMO Oc1c(Br)cccc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000152855408 1043001264 /nfs/dbraw/zinc/00/12/64/1043001264.db2.gz ZAPHEJALMFJTIT-UHFFFAOYSA-N 1 1 336.204 4.073 20 10 EICDMO COc1ccc(C[NH2+][C@H](CN2CCCCC2)c2ccccc2)cc1C ZINC000727837919 1043310904 /nfs/dbraw/zinc/31/09/04/1043310904.db2.gz YLMIBQBMCWCZPT-OAQYLSRUSA-N 1 1 338.495 4.320 20 10 EICDMO CCC[N@@H+](Cc1nc2cc(Cl)ccc2n1C)Cc1ccccc1O ZINC000727830845 1043311398 /nfs/dbraw/zinc/31/13/98/1043311398.db2.gz QQUKWBMROAOOPQ-UHFFFAOYSA-N 1 1 343.858 4.345 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1nc(C(F)(F)F)cs1 ZINC000922073230 1043415035 /nfs/dbraw/zinc/41/50/35/1043415035.db2.gz PQYYNVOXZRWAFQ-SNVBAGLBSA-N 1 1 342.386 4.338 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1cccc2c1OCCO2)C1CCCC1 ZINC000731845585 1043834270 /nfs/dbraw/zinc/83/42/70/1043834270.db2.gz FARHMRVTEUUXKM-UHFFFAOYSA-N 1 1 339.435 4.108 20 10 EICDMO COc1c(C)cnc(C[N@@H+](Cc2ccccc2O)C2CCCC2)c1C ZINC000731889351 1043838559 /nfs/dbraw/zinc/83/85/59/1043838559.db2.gz GMWUFWGKRCZKBR-UHFFFAOYSA-N 1 1 340.467 4.357 20 10 EICDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000731871366 1043842630 /nfs/dbraw/zinc/84/26/30/1043842630.db2.gz DIWYYHVSHPWYSL-ZDUSSCGKSA-N 1 1 330.453 4.080 20 10 EICDMO Oc1ccccc1C[N@H+](C[C@H](O)c1ccc(F)c(F)c1)C1CCCC1 ZINC000732204757 1043887063 /nfs/dbraw/zinc/88/70/63/1043887063.db2.gz CLWNUWJXYCPQQD-FQEVSTJZSA-N 1 1 347.405 4.149 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1nc(-c2ccccc2)no1)C1CCCC1 ZINC000732205025 1043887522 /nfs/dbraw/zinc/88/75/22/1043887522.db2.gz XJZOVMBDKJQNBY-UHFFFAOYSA-N 1 1 349.434 4.387 20 10 EICDMO Oc1ccccc1C[N@H+](C[C@@H](O)c1ccccc1F)C1CCCC1 ZINC000732204745 1043887899 /nfs/dbraw/zinc/88/78/99/1043887899.db2.gz RCNFZXQZNPWNQS-HXUWFJFHSA-N 1 1 329.415 4.010 20 10 EICDMO COC[C@H]1CCC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000733183800 1044127159 /nfs/dbraw/zinc/12/71/59/1044127159.db2.gz MHWFVBRUESMSOF-AWEZNQCLSA-N 1 1 325.408 4.150 20 10 EICDMO CCCCC[C@@H](C)NC(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000733613469 1044268120 /nfs/dbraw/zinc/26/81/20/1044268120.db2.gz XPIPFJADLKIJEJ-QGZVFWFLSA-N 1 1 346.515 4.222 20 10 EICDMO C[C@@H]([NH2+]Cc1nc(C(F)(F)F)cs1)c1ccc(N(C)C)cc1 ZINC000766122280 1044270167 /nfs/dbraw/zinc/27/01/67/1044270167.db2.gz WJTGXKLSHCOLDG-SNVBAGLBSA-N 1 1 329.391 4.079 20 10 EICDMO CN(C)CC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(C)(C)C ZINC000734849866 1044701607 /nfs/dbraw/zinc/70/16/07/1044701607.db2.gz QMGYPXDJVAPWGI-HXUWFJFHSA-N 1 1 331.548 4.133 20 10 EICDMO Oc1ccc2ccncc2c1C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000735074103 1044738689 /nfs/dbraw/zinc/73/86/89/1044738689.db2.gz XCOYNOIRWPQVEL-UHFFFAOYSA-N 1 1 336.410 4.287 20 10 EICDMO CC1(C)C[N@@H+](Cc2cc3oc4ccccc4c3cc2O)CCCO1 ZINC000735298079 1044786650 /nfs/dbraw/zinc/78/66/50/1044786650.db2.gz OVVYPVXGJLOONN-UHFFFAOYSA-N 1 1 325.408 4.293 20 10 EICDMO CC1(C)C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCCO1 ZINC000735297995 1044786859 /nfs/dbraw/zinc/78/68/59/1044786859.db2.gz KZRJWFJOYBCWKW-UHFFFAOYSA-N 1 1 329.440 4.018 20 10 EICDMO CCc1ccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000735309221 1044797932 /nfs/dbraw/zinc/79/79/32/1044797932.db2.gz JLPHZQZOWHLAOQ-HXUWFJFHSA-N 1 1 325.452 4.136 20 10 EICDMO Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)c1O ZINC001168031170 1044812688 /nfs/dbraw/zinc/81/26/88/1044812688.db2.gz YAWIAGUTFPNEBL-RMFSNUHRSA-N 1 1 338.495 4.232 20 10 EICDMO CCCN(CCC)c1ccc(C[NH2+][C@@H](c2ncccn2)C2CC2)cc1 ZINC000922582929 1044827358 /nfs/dbraw/zinc/82/73/58/1044827358.db2.gz PKLVJXSAKOTYAZ-HXUWFJFHSA-N 1 1 338.499 4.344 20 10 EICDMO Oc1c(Br)cccc1C[NH2+][C@@H]1CSc2ccccc21 ZINC000735508541 1044830738 /nfs/dbraw/zinc/83/07/38/1044830738.db2.gz DBWBNNRHDGVYSL-CYBMUJFWSA-N 1 1 336.254 4.091 20 10 EICDMO CC(C)(C)OC(=O)Nc1ccsc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000895784711 1044891594 /nfs/dbraw/zinc/89/15/94/1044891594.db2.gz MBWASEQXPWTXEH-UHFFFAOYSA-N 1 1 346.452 4.317 20 10 EICDMO CC(C)(C)OC(=O)Nc1ccsc1C[N@H+]1Cc2cccc(O)c2C1 ZINC000895784711 1044891598 /nfs/dbraw/zinc/89/15/98/1044891598.db2.gz MBWASEQXPWTXEH-UHFFFAOYSA-N 1 1 346.452 4.317 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CCSC[C@H]1c1ccccc1)CCC2 ZINC000738070325 1045033610 /nfs/dbraw/zinc/03/36/10/1045033610.db2.gz PLCCCYLANNORDO-IBGZPJMESA-N 1 1 325.477 4.171 20 10 EICDMO CCN(CC)c1ccc(C[N@H+](C)Cc2nc3ccccc3n2C)cc1 ZINC000738298224 1045057208 /nfs/dbraw/zinc/05/72/08/1045057208.db2.gz FHZDUIVXMSYRFK-UHFFFAOYSA-N 1 1 336.483 4.052 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2nc3ccccc3n2C)cc1 ZINC000738298224 1045057219 /nfs/dbraw/zinc/05/72/19/1045057219.db2.gz FHZDUIVXMSYRFK-UHFFFAOYSA-N 1 1 336.483 4.052 20 10 EICDMO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)CCO2 ZINC000186699458 1045138285 /nfs/dbraw/zinc/13/82/85/1045138285.db2.gz FVRKTMFRACKSFH-SJCJKPOMSA-N 1 1 331.387 4.104 20 10 EICDMO CC(C)OCCC[N@@H+](C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000740856400 1045229245 /nfs/dbraw/zinc/22/92/45/1045229245.db2.gz FFQMJOKVCSZONC-UHFFFAOYSA-N 1 1 331.456 4.264 20 10 EICDMO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@H](c3cccc(Cl)c3)C2)c1 ZINC000767501940 1045546538 /nfs/dbraw/zinc/54/65/38/1045546538.db2.gz IUVPKHOYEPIWES-SFHVURJKSA-N 1 1 331.843 4.236 20 10 EICDMO Cc1cc(C)c(O)c(C[N@H+]2CCO[C@H](c3cccc(Cl)c3)C2)c1 ZINC000767501940 1045546554 /nfs/dbraw/zinc/54/65/54/1045546554.db2.gz IUVPKHOYEPIWES-SFHVURJKSA-N 1 1 331.843 4.236 20 10 EICDMO CCN(CC)c1ccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)cc1 ZINC000790948868 1045634915 /nfs/dbraw/zinc/63/49/15/1045634915.db2.gz NBWMXYFNPFPWLD-UHFFFAOYSA-N 1 1 336.838 4.321 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccccc1OC1CCC1 ZINC000790968174 1045640255 /nfs/dbraw/zinc/64/02/55/1045640255.db2.gz QWMAVAGMIATEKJ-UHFFFAOYSA-N 1 1 335.806 4.406 20 10 EICDMO CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790991338 1045647110 /nfs/dbraw/zinc/64/71/10/1045647110.db2.gz VBFRFXMUQJFNPQ-DYZYQPBXSA-N 1 1 341.785 4.190 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CCCCC[C@H]2c2ccncc2)cc1F ZINC000768138865 1045726788 /nfs/dbraw/zinc/72/67/88/1045726788.db2.gz VODYXNQBLCLLCC-IBGZPJMESA-N 1 1 327.447 4.404 20 10 EICDMO Oc1ccccc1C[N@@H+](C/C=C\c1ccc(F)cc1)C[C@H]1CCCO1 ZINC000768163419 1045729558 /nfs/dbraw/zinc/72/95/58/1045729558.db2.gz YVCCUROCCAYJEO-MNKBLEIRSA-N 1 1 341.426 4.226 20 10 EICDMO Cc1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1F ZINC000768162094 1045730391 /nfs/dbraw/zinc/73/03/91/1045730391.db2.gz LCBKYZXKGCIOJV-SFHVURJKSA-N 1 1 329.415 4.021 20 10 EICDMO Cc1cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)ccc1F ZINC000768161606 1045730988 /nfs/dbraw/zinc/73/09/88/1045730988.db2.gz IBFRECQBVDDPAF-GOSISDBHSA-N 1 1 329.415 4.021 20 10 EICDMO CC[C@H](C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000768208597 1045744072 /nfs/dbraw/zinc/74/40/72/1045744072.db2.gz VBWYBOWHDUBIOM-HXUWFJFHSA-N 1 1 338.495 4.149 20 10 EICDMO CN(C)c1ccc(C[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C2CC2)cc1 ZINC000768258127 1045767521 /nfs/dbraw/zinc/76/75/21/1045767521.db2.gz PLUPNNLBNOIGIR-UHFFFAOYSA-N 1 1 346.478 4.307 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C2CC2)cc1 ZINC000768258127 1045767542 /nfs/dbraw/zinc/76/75/42/1045767542.db2.gz PLUPNNLBNOIGIR-UHFFFAOYSA-N 1 1 346.478 4.307 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C2CC2)cc1 ZINC000768258127 1045767482 /nfs/dbraw/zinc/76/74/82/1045767482.db2.gz PLUPNNLBNOIGIR-UHFFFAOYSA-N 1 1 346.478 4.307 20 10 EICDMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](Cc2cc3c(cc2O)OCO3)C2CC2)o1 ZINC000768258144 1045768253 /nfs/dbraw/zinc/76/82/53/1045768253.db2.gz QQPLYMUIUSWUSV-MLGOLLRUSA-N 1 1 341.407 4.002 20 10 EICDMO CCc1nn(C)c(CC)c1C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000768358672 1045797849 /nfs/dbraw/zinc/79/78/49/1045797849.db2.gz YHCFDAKCLNSJSY-UHFFFAOYSA-N 1 1 342.531 4.022 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2c2ccc(C)cc2)cc1OC ZINC000768441373 1045807366 /nfs/dbraw/zinc/80/73/66/1045807366.db2.gz KHDIYPGDTIQKPB-KRWDZBQOSA-N 1 1 327.424 4.055 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1CCC1CCCCC1)[C@H](O)CO2 ZINC000768463732 1045811186 /nfs/dbraw/zinc/81/11/86/1045811186.db2.gz WAZMELVIQHVVOK-YLJYHZDGSA-N 1 1 345.483 4.143 20 10 EICDMO COc1cc(O)c(C[N@H+]2CC[C@H](C)[C@H]2c2cccc(F)c2)cc1OC ZINC000768464953 1045811385 /nfs/dbraw/zinc/81/13/85/1045811385.db2.gz CXQKZMFBWCWAPX-RBZFPXEDSA-N 1 1 345.414 4.132 20 10 EICDMO COc1cc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)c(O)cc1C ZINC000768464793 1045811461 /nfs/dbraw/zinc/81/14/61/1045811461.db2.gz AFPGSCWDABKHSH-MRXNPFEDSA-N 1 1 343.492 4.323 20 10 EICDMO COc1cccc(C[N@H+](Cc2cccc(OC)c2O)CC(C)C)c1 ZINC000768650045 1045828408 /nfs/dbraw/zinc/82/84/08/1045828408.db2.gz CEXBBZKKDLXVFA-UHFFFAOYSA-N 1 1 329.440 4.068 20 10 EICDMO Cc1occc1C[N@@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769058842 1045879248 /nfs/dbraw/zinc/87/92/48/1045879248.db2.gz MRIWMRROVRGLEE-UHFFFAOYSA-N 1 1 343.427 4.119 20 10 EICDMO Cc1occc1C[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769058842 1045879252 /nfs/dbraw/zinc/87/92/52/1045879252.db2.gz MRIWMRROVRGLEE-UHFFFAOYSA-N 1 1 343.427 4.119 20 10 EICDMO CCC[N@@H+](Cc1cc(Cl)c(OC)c(OC)c1)Cc1ccccc1O ZINC000769201515 1045894236 /nfs/dbraw/zinc/89/42/36/1045894236.db2.gz VWWKROKUWJHLFO-UHFFFAOYSA-N 1 1 349.858 4.475 20 10 EICDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1 ZINC000769307305 1045914546 /nfs/dbraw/zinc/91/45/46/1045914546.db2.gz GRRMPFCUMFSACT-GOSISDBHSA-N 1 1 349.434 4.478 20 10 EICDMO COc1cccc(C[N@H+]2CCc3c(ccc(Cl)c3Cl)C2)c1O ZINC000769310837 1045915962 /nfs/dbraw/zinc/91/59/62/1045915962.db2.gz JLRSPEQGMJILDS-UHFFFAOYSA-N 1 1 338.234 4.266 20 10 EICDMO COc1cccc(C[N@@H+]2CCc3c(ccc(Cl)c3Cl)C2)c1O ZINC000769310837 1045915946 /nfs/dbraw/zinc/91/59/46/1045915946.db2.gz JLRSPEQGMJILDS-UHFFFAOYSA-N 1 1 338.234 4.266 20 10 EICDMO COc1cccc(O)c1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000769384051 1045941815 /nfs/dbraw/zinc/94/18/15/1045941815.db2.gz KQPXMNGJLSMGPD-UHFFFAOYSA-N 1 1 327.424 4.051 20 10 EICDMO CCN(Cc1ccccc1)c1ccc(C[N@H+](C)Cc2cc[nH]n2)cc1 ZINC000769384956 1045945129 /nfs/dbraw/zinc/94/51/29/1045945129.db2.gz RFNICZUMAPYAJM-UHFFFAOYSA-N 1 1 334.467 4.068 20 10 EICDMO CCN(Cc1ccccc1)c1ccc(C[N@@H+](C)Cc2cc[nH]n2)cc1 ZINC000769384956 1045945138 /nfs/dbraw/zinc/94/51/38/1045945138.db2.gz RFNICZUMAPYAJM-UHFFFAOYSA-N 1 1 334.467 4.068 20 10 EICDMO Oc1cccc(Cl)c1C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000769398920 1045948903 /nfs/dbraw/zinc/94/89/03/1045948903.db2.gz NPSUDNWASYFXAS-UHFFFAOYSA-N 1 1 345.870 4.474 20 10 EICDMO CCN(Cc1ccccc1)c1ccc(C[N@H+]2CC[C@H](COC)C2)cc1 ZINC000769403673 1045952184 /nfs/dbraw/zinc/95/21/84/1045952184.db2.gz UQGKUJZPJHKRAG-NRFANRHFSA-N 1 1 338.495 4.181 20 10 EICDMO C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769483150 1045966289 /nfs/dbraw/zinc/96/62/89/1045966289.db2.gz MXNHMVBTSDZGEL-AWEZNQCLSA-N 1 1 331.287 4.005 20 10 EICDMO C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769483150 1045966319 /nfs/dbraw/zinc/96/63/19/1045966319.db2.gz MXNHMVBTSDZGEL-AWEZNQCLSA-N 1 1 331.287 4.005 20 10 EICDMO C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769483150 1045966305 /nfs/dbraw/zinc/96/63/05/1045966305.db2.gz MXNHMVBTSDZGEL-AWEZNQCLSA-N 1 1 331.287 4.005 20 10 EICDMO CCN1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccccc3)ccc2O)[C@H](C)C1 ZINC000769482760 1045970153 /nfs/dbraw/zinc/97/01/53/1045970153.db2.gz DYWYWNIQRSLXSU-DYESRHJHSA-N 1 1 338.495 4.221 20 10 EICDMO CCN1CC[C@@H]([N@H+](C)Cc2cc(-c3ccccc3)ccc2O)[C@H](C)C1 ZINC000769482760 1045970142 /nfs/dbraw/zinc/97/01/42/1045970142.db2.gz DYWYWNIQRSLXSU-DYESRHJHSA-N 1 1 338.495 4.221 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000769446716 1045974222 /nfs/dbraw/zinc/97/42/22/1045974222.db2.gz SECMTPFINDIOSE-UHFFFAOYSA-N 1 1 337.463 4.452 20 10 EICDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000769534887 1046010682 /nfs/dbraw/zinc/01/06/82/1046010682.db2.gz ZYKOWSHUFXSQBD-HXUWFJFHSA-N 1 1 348.494 4.075 20 10 EICDMO CCOc1ccc(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)c(O)c1 ZINC000769532013 1046010822 /nfs/dbraw/zinc/01/08/22/1046010822.db2.gz GVLDRURVULNLMI-INIZCTEOSA-N 1 1 347.842 4.098 20 10 EICDMO Cc1ccc(O)c(C[N@H+]2CCc3sc(Br)cc3C2)c1 ZINC000769542358 1046012678 /nfs/dbraw/zinc/01/26/78/1046012678.db2.gz HCHLZODHFHPITA-UHFFFAOYSA-N 1 1 338.270 4.083 20 10 EICDMO Cc1ccc(O)c(C[N@@H+]2CCc3sc(Br)cc3C2)c1 ZINC000769542358 1046012658 /nfs/dbraw/zinc/01/26/58/1046012658.db2.gz HCHLZODHFHPITA-UHFFFAOYSA-N 1 1 338.270 4.083 20 10 EICDMO C[C@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1ccc(F)cc1O ZINC000769984799 1046121802 /nfs/dbraw/zinc/12/18/02/1046121802.db2.gz DTLIGEUMFCRNGL-LBPRGKRZSA-N 1 1 330.378 4.055 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1C(C)C ZINC000772828681 1046163163 /nfs/dbraw/zinc/16/31/63/1046163163.db2.gz PFAGSLWRNNNNGB-DYESRHJHSA-N 1 1 342.527 4.273 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1C(C)C ZINC000772828681 1046163169 /nfs/dbraw/zinc/16/31/69/1046163169.db2.gz PFAGSLWRNNNNGB-DYESRHJHSA-N 1 1 342.527 4.273 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1C ZINC000770326718 1046181623 /nfs/dbraw/zinc/18/16/23/1046181623.db2.gz QVNPADLIXGJWKC-ICSRJNTNSA-N 1 1 343.467 4.470 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000770372677 1046186327 /nfs/dbraw/zinc/18/63/27/1046186327.db2.gz FCANCUDTVJDELP-WOJBJXKFSA-N 1 1 337.463 4.308 20 10 EICDMO CCC[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@H](O)c1ccccc1 ZINC000793245142 1046189838 /nfs/dbraw/zinc/18/98/38/1046189838.db2.gz XKXRPEDHAAMSPO-MAUKXSAKSA-N 1 1 337.822 4.177 20 10 EICDMO Cc1cccc2ncc(C[N@@H+](Cc3ccco3)Cc3ccccc3O)n21 ZINC000771925023 1046519837 /nfs/dbraw/zinc/51/98/37/1046519837.db2.gz UDLONLMRTHZSBO-UHFFFAOYSA-N 1 1 347.418 4.144 20 10 EICDMO Cc1cccc2ncc(C[N@H+](Cc3ccco3)Cc3ccccc3O)n21 ZINC000771925023 1046519819 /nfs/dbraw/zinc/51/98/19/1046519819.db2.gz UDLONLMRTHZSBO-UHFFFAOYSA-N 1 1 347.418 4.144 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc(-c3cccnc3)c2)cc1 ZINC000771933096 1046526400 /nfs/dbraw/zinc/52/64/00/1046526400.db2.gz DANCPPWPULBNKG-UHFFFAOYSA-N 1 1 331.463 4.447 20 10 EICDMO CCc1ncc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)s1 ZINC000771935568 1046528941 /nfs/dbraw/zinc/52/89/41/1046528941.db2.gz XOKOTBXRKULQSS-UHFFFAOYSA-N 1 1 329.513 4.328 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2cccc3cc[nH]c32)c1 ZINC000786160274 1046813354 /nfs/dbraw/zinc/81/33/54/1046813354.db2.gz HMZQWHSOWBWMCN-UHFFFAOYSA-N 1 1 345.240 4.234 20 10 EICDMO C[N@@H+](Cc1ccc(Br)c(Cl)c1)Cc1ccccc1O ZINC000787264587 1046976011 /nfs/dbraw/zinc/97/60/11/1046976011.db2.gz MRXIFGGZLMZUFQ-UHFFFAOYSA-N 1 1 340.648 4.440 20 10 EICDMO CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132754 1047125817 /nfs/dbraw/zinc/12/58/17/1047125817.db2.gz ZXBABCOVZKLNQH-MEDUHNTESA-N 1 1 343.298 4.224 20 10 EICDMO CC[C@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1ccc(F)cc1O ZINC000806173711 1047160429 /nfs/dbraw/zinc/16/04/29/1047160429.db2.gz ZTYKURIYXXTSBV-ROUUACIJSA-N 1 1 334.410 4.014 20 10 EICDMO COC[C@@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)c1ccc(C)o1 ZINC000788607742 1047244854 /nfs/dbraw/zinc/24/48/54/1047244854.db2.gz CGYKRLVOLWOJJV-BXUZGUMPSA-N 1 1 343.345 4.351 20 10 EICDMO C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000788604231 1047245952 /nfs/dbraw/zinc/24/59/52/1047245952.db2.gz IXVZKCCKZXRJPB-NSHDSACASA-N 1 1 344.282 4.292 20 10 EICDMO C[C@@H]([NH2+]CC1([C@H](C)CCO)CCC1)c1cccc(C(F)(F)F)c1O ZINC000788693375 1047266302 /nfs/dbraw/zinc/26/63/02/1047266302.db2.gz SQWNKNICBLUZOF-CHWSQXEVSA-N 1 1 345.405 4.250 20 10 EICDMO C[C@@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)c1nccs1 ZINC000788735449 1047295813 /nfs/dbraw/zinc/29/58/13/1047295813.db2.gz AYDSZYXUNBCDAI-UWVGGRQHSA-N 1 1 330.375 4.322 20 10 EICDMO CCOc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc(Cl)c1O ZINC000788840547 1047321922 /nfs/dbraw/zinc/32/19/22/1047321922.db2.gz NLXLZNOCDLVQRD-UHFFFAOYSA-N 1 1 348.874 4.142 20 10 EICDMO Cc1ccc(O[C@H]2CCC[N@H+](Cc3cc(F)c(F)cc3O)C2)cc1 ZINC001142520619 1047490276 /nfs/dbraw/zinc/49/02/76/1047490276.db2.gz MGLVNETYBRLQGC-INIZCTEOSA-N 1 1 333.378 4.022 20 10 EICDMO Cc1ccc(O[C@H]2CCC[N@@H+](Cc3cc(F)c(F)cc3O)C2)cc1 ZINC001142520619 1047490282 /nfs/dbraw/zinc/49/02/82/1047490282.db2.gz MGLVNETYBRLQGC-INIZCTEOSA-N 1 1 333.378 4.022 20 10 EICDMO COc1cc(C[NH2+]Cc2nc(C(C)(C)C)co2)c(O)c(C(C)(C)C)c1 ZINC000897942638 1047513658 /nfs/dbraw/zinc/51/36/58/1047513658.db2.gz PUAYOPGMVXKYKE-UHFFFAOYSA-N 1 1 346.471 4.274 20 10 EICDMO COc1cccc(CC2CC[NH+](Cc3cc(F)c(F)cc3O)CC2)c1 ZINC001142527097 1047523657 /nfs/dbraw/zinc/52/36/57/1047523657.db2.gz KNDXSYFUWOWRKS-UHFFFAOYSA-N 1 1 347.405 4.134 20 10 EICDMO Oc1cc(F)c(F)cc1C[NH+]1CCC(c2ccc(F)cc2F)CC1 ZINC001142534481 1047556141 /nfs/dbraw/zinc/55/61/41/1047556141.db2.gz LDVWZDZXXXQJET-UHFFFAOYSA-N 1 1 339.332 4.328 20 10 EICDMO COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c(O)cc1C ZINC000790462695 1047588725 /nfs/dbraw/zinc/58/87/25/1047588725.db2.gz YMEHANZBNHNQHN-HNNXBMFYSA-N 1 1 331.378 4.120 20 10 EICDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(Br)cc2O)n1 ZINC000824820018 1047963605 /nfs/dbraw/zinc/96/36/05/1047963605.db2.gz XKNQKKNAIKBWHY-MRXNPFEDSA-N 1 1 347.256 4.195 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1Cl ZINC000824926827 1047999029 /nfs/dbraw/zinc/99/90/29/1047999029.db2.gz HXENCMZUIBHOPM-RHSMWYFYSA-N 1 1 335.831 4.035 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000825085711 1048033733 /nfs/dbraw/zinc/03/37/33/1048033733.db2.gz MJEPBOBMWPJFES-QMTHXVAHSA-N 1 1 341.835 4.256 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)[C@@H](O)c1ccccc1 ZINC000808721931 1048069923 /nfs/dbraw/zinc/06/99/23/1048069923.db2.gz VRLUNZNCZYSFCT-WVQJBOLRSA-N 1 1 340.250 4.472 20 10 EICDMO Cc1ccncc1C[N@@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000809731068 1048480674 /nfs/dbraw/zinc/48/06/74/1048480674.db2.gz BEFLULDCJXJOQA-UHFFFAOYSA-N 1 1 335.451 4.251 20 10 EICDMO Cc1ccncc1C[N@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000809731068 1048480687 /nfs/dbraw/zinc/48/06/87/1048480687.db2.gz BEFLULDCJXJOQA-UHFFFAOYSA-N 1 1 335.451 4.251 20 10 EICDMO Cc1ncccc1C[N@@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000809731271 1048480998 /nfs/dbraw/zinc/48/09/98/1048480998.db2.gz FIOVJEXILJXMAG-UHFFFAOYSA-N 1 1 335.451 4.251 20 10 EICDMO Cc1ncccc1C[N@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000809731271 1048481010 /nfs/dbraw/zinc/48/10/10/1048481010.db2.gz FIOVJEXILJXMAG-UHFFFAOYSA-N 1 1 335.451 4.251 20 10 EICDMO COc1cccc(O)c1C[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000809735391 1048483871 /nfs/dbraw/zinc/48/38/71/1048483871.db2.gz FCXQEAAVBQLCHO-UHFFFAOYSA-N 1 1 348.446 4.041 20 10 EICDMO COCC[N@@H+](Cc1ccccn1)Cc1cc(-c2ccccc2)ccc1O ZINC000809735127 1048483986 /nfs/dbraw/zinc/48/39/86/1048483986.db2.gz XTJYNHQFHBIFJS-UHFFFAOYSA-N 1 1 348.446 4.103 20 10 EICDMO Oc1ccc(F)cc1C[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000809735549 1048485026 /nfs/dbraw/zinc/48/50/26/1048485026.db2.gz KIRQFULZBFNNHL-UHFFFAOYSA-N 1 1 336.410 4.171 20 10 EICDMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@]4(CC4(F)F)C3)c2c1 ZINC000844745757 1048486040 /nfs/dbraw/zinc/48/60/40/1048486040.db2.gz GIBUWMDHEDTVEC-GOSISDBHSA-N 1 1 333.378 4.175 20 10 EICDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000809767780 1048504299 /nfs/dbraw/zinc/50/42/99/1048504299.db2.gz SYBMUMOXYSCENX-INIZCTEOSA-N 1 1 341.842 4.060 20 10 EICDMO COc1cccc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)c1 ZINC000815554434 1048505877 /nfs/dbraw/zinc/50/58/77/1048505877.db2.gz ZHNVWAFLLXABID-NSHDSACASA-N 1 1 325.330 4.270 20 10 EICDMO COc1ccc(CC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)cc1 ZINC000815552899 1048506267 /nfs/dbraw/zinc/50/62/67/1048506267.db2.gz NDJFJWHRZNDRJS-LBPRGKRZSA-N 1 1 339.357 4.313 20 10 EICDMO Cc1ccc(O)c(C[N@@H+](CCc2ccccc2)Cc2ccncc2)c1 ZINC000809737467 1048507862 /nfs/dbraw/zinc/50/78/62/1048507862.db2.gz SVFWJTGVVSLYBV-UHFFFAOYSA-N 1 1 332.447 4.341 20 10 EICDMO Cc1ccn2cc(C[NH2+][C@@H](C)c3cccc(C(F)(F)F)c3O)nc2c1 ZINC000815576690 1048518448 /nfs/dbraw/zinc/51/84/48/1048518448.db2.gz WKUUISIDLJQHQD-LBPRGKRZSA-N 1 1 349.356 4.218 20 10 EICDMO CC[N@H+](Cc1cc(C)cc(Br)c1O)[C@@H](C)c1cccnc1 ZINC000809764375 1048525471 /nfs/dbraw/zinc/52/54/71/1048525471.db2.gz FCDMYIDXNGSTEB-ZDUSSCGKSA-N 1 1 349.272 4.441 20 10 EICDMO CC[N@@H+](Cc1cc(C)cc(Br)c1O)[C@@H](C)c1cccnc1 ZINC000809764375 1048525484 /nfs/dbraw/zinc/52/54/84/1048525484.db2.gz FCDMYIDXNGSTEB-ZDUSSCGKSA-N 1 1 349.272 4.441 20 10 EICDMO C[C@H]([NH2+][C@@H](CO)C1CCCCC1)c1cccc(C(F)(F)F)c1O ZINC000815595144 1048530938 /nfs/dbraw/zinc/53/09/38/1048530938.db2.gz ISESEQYCKJZLPF-NHYWBVRUSA-N 1 1 331.378 4.003 20 10 EICDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000809784009 1048531829 /nfs/dbraw/zinc/53/18/29/1048531829.db2.gz OZQYCNKKDYUCLY-QGZVFWFLSA-N 1 1 345.439 4.001 20 10 EICDMO C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1cccc(C(F)(F)F)c1O ZINC000815617547 1048543589 /nfs/dbraw/zinc/54/35/89/1048543589.db2.gz PPUOETXKUKVWJE-WBIUFABUSA-N 1 1 329.362 4.019 20 10 EICDMO C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1cccc(C(F)(F)F)c1O ZINC000815626864 1048550499 /nfs/dbraw/zinc/55/04/99/1048550499.db2.gz NTGAOYWEVPNBSO-MKBNYLNASA-N 1 1 339.357 4.184 20 10 EICDMO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1cccc(C(F)(F)F)c1O ZINC000815626865 1048552057 /nfs/dbraw/zinc/55/20/57/1048552057.db2.gz NTGAOYWEVPNBSO-MQIPJXDCSA-N 1 1 339.357 4.184 20 10 EICDMO Oc1cc(F)c(Br)cc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001144306936 1048585685 /nfs/dbraw/zinc/58/56/85/1048585685.db2.gz XCEYDZSGAFZEEV-YGRLFVJLSA-N 1 1 328.225 4.058 20 10 EICDMO Oc1cc(F)c(Br)cc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001144306936 1048585703 /nfs/dbraw/zinc/58/57/03/1048585703.db2.gz XCEYDZSGAFZEEV-YGRLFVJLSA-N 1 1 328.225 4.058 20 10 EICDMO C[C@@H](Nc1cc(C2CC2)cc[nH+]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000810258908 1048708824 /nfs/dbraw/zinc/70/88/24/1048708824.db2.gz YTQOWXCAORRIDZ-CQSZACIVSA-N 1 1 341.430 4.108 20 10 EICDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3sccc3c2)c1 ZINC000810242662 1048725016 /nfs/dbraw/zinc/72/50/16/1048725016.db2.gz GMBUJVYFXUXRFW-GFCCVEGCSA-N 1 1 341.432 4.244 20 10 EICDMO C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000920811433 1048790718 /nfs/dbraw/zinc/79/07/18/1048790718.db2.gz IEHDFZLUVSZEIK-GOSISDBHSA-N 1 1 337.427 4.318 20 10 EICDMO C[N@H+](Cc1ccc2ccccc2c1O)C[C@H]1OCCc2ccccc21 ZINC000816495847 1048816040 /nfs/dbraw/zinc/81/60/40/1048816040.db2.gz LMVYHNNJPKOZEE-OAQYLSRUSA-N 1 1 333.431 4.291 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000846105231 1048822626 /nfs/dbraw/zinc/82/26/26/1048822626.db2.gz RNUGCKOYQJLRSC-CQSZACIVSA-N 1 1 346.215 4.084 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000846105231 1048822624 /nfs/dbraw/zinc/82/26/24/1048822624.db2.gz RNUGCKOYQJLRSC-CQSZACIVSA-N 1 1 346.215 4.084 20 10 EICDMO COc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)cc1F ZINC000816530686 1048825414 /nfs/dbraw/zinc/82/54/14/1048825414.db2.gz QUBZQZFYMRJKDN-SECBINFHSA-N 1 1 327.758 4.183 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000816541292 1048827561 /nfs/dbraw/zinc/82/75/61/1048827561.db2.gz IOWSZSYVNAUYNI-ROUUACIJSA-N 1 1 335.806 4.195 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H](c1ccccc1)c1cccnc1 ZINC000816546770 1048828005 /nfs/dbraw/zinc/82/80/05/1048828005.db2.gz VWQLNKYLXGQDTR-IBGZPJMESA-N 1 1 342.801 4.459 20 10 EICDMO OC[C@]1(c2ccccc2)CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816601371 1048842733 /nfs/dbraw/zinc/84/27/33/1048842733.db2.gz ZIHAYBPINWLOBG-QHCPKHFHSA-N 1 1 347.458 4.072 20 10 EICDMO C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])cc1 ZINC000817963791 1049068904 /nfs/dbraw/zinc/06/89/04/1049068904.db2.gz VBFLNWYQQPGFPL-NEPJUHHUSA-N 1 1 349.272 4.025 20 10 EICDMO C[C@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817985276 1049080019 /nfs/dbraw/zinc/08/00/19/1049080019.db2.gz IURIMUAOTWEWTC-FUHWJXTLSA-N 1 1 345.506 4.141 20 10 EICDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3cc(-c4ccccc4)ccc3O)C2)c1 ZINC000811518903 1049107453 /nfs/dbraw/zinc/10/74/53/1049107453.db2.gz RBGZTRFDXQZQMY-HXUWFJFHSA-N 1 1 333.435 4.011 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000811513989 1049127982 /nfs/dbraw/zinc/12/79/82/1049127982.db2.gz YVGYIKPEVCFOGL-MRXNPFEDSA-N 1 1 336.273 4.228 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000811513989 1049127990 /nfs/dbraw/zinc/12/79/90/1049127990.db2.gz YVGYIKPEVCFOGL-MRXNPFEDSA-N 1 1 336.273 4.228 20 10 EICDMO Cc1cc(C[N@H+](C)[C@H]2CCCc3c2cnn3C)c(O)c(C(C)(C)C)c1 ZINC000747816869 1049575360 /nfs/dbraw/zinc/57/53/60/1049575360.db2.gz KKSIAGPSSLIPTA-SFHVURJKSA-N 1 1 341.499 4.241 20 10 EICDMO CCOc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)c(O)c1 ZINC000812781001 1049576065 /nfs/dbraw/zinc/57/60/65/1049576065.db2.gz DSBGYRJPJFOABL-CABCVRRESA-N 1 1 331.378 4.344 20 10 EICDMO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1)c1ccccc1O ZINC001171975666 1049837733 /nfs/dbraw/zinc/83/77/33/1049837733.db2.gz NPJNSUDQKJFVNZ-MJGOQNOKSA-N 1 1 338.495 4.486 20 10 EICDMO CC(C)COCC[C@H](C)[NH2+]Cc1cc(Cl)c2cccnc2c1O ZINC001172462517 1049917081 /nfs/dbraw/zinc/91/70/81/1049917081.db2.gz QOWJIHORDWQYIQ-ZDUSSCGKSA-N 1 1 336.863 4.135 20 10 EICDMO C[C@H](NC(C)(C)C[NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000733900814 1050234663 /nfs/dbraw/zinc/23/46/63/1050234663.db2.gz KINUCLGOCLANJI-INIZCTEOSA-N 1 1 343.490 4.111 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C1CCC2(CCOCC2)CC1 ZINC001173049810 1050273093 /nfs/dbraw/zinc/27/30/93/1050273093.db2.gz HWZXMRGPKHBGAN-UHFFFAOYSA-N 1 1 342.527 4.458 20 10 EICDMO CC[NH+](CC)C1CCC([NH2+]Cc2cc3ccccc3cc2[O-])CC1 ZINC001173107665 1050307055 /nfs/dbraw/zinc/30/70/55/1050307055.db2.gz IKNIYPGGVHXHSH-UHFFFAOYSA-N 1 1 326.484 4.288 20 10 EICDMO CC(C)(CC[NH+]1CCCCCC1)NCc1ccc(N2CCCC2)cc1 ZINC001178528063 1050490901 /nfs/dbraw/zinc/49/09/01/1050490901.db2.gz IGTKLYXWNNXRIN-UHFFFAOYSA-N 1 1 343.559 4.421 20 10 EICDMO Cc1ccc([C@]2(C)C[N@H+](Cc3cc(Cl)ccc3O)CCO2)cc1 ZINC001203664227 1050569942 /nfs/dbraw/zinc/56/99/42/1050569942.db2.gz RNUMJQOOUGIOFP-IBGZPJMESA-N 1 1 331.843 4.102 20 10 EICDMO Cc1ccc([C@]2(C)C[N@@H+](Cc3cc(Cl)ccc3O)CCO2)cc1 ZINC001203664227 1050569956 /nfs/dbraw/zinc/56/99/56/1050569956.db2.gz RNUMJQOOUGIOFP-IBGZPJMESA-N 1 1 331.843 4.102 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H](C)C2CCC(F)CC2)c1 ZINC001179257536 1050663001 /nfs/dbraw/zinc/66/30/01/1050663001.db2.gz DCVQCSQVNGTZLE-DCBWTQNWSA-N 1 1 344.268 4.470 20 10 EICDMO CN(C)c1ccc(/C=C\CNC[C@H]2CC[N@@H+]2C2CCCCCC2)cc1 ZINC001179386098 1050687474 /nfs/dbraw/zinc/68/74/74/1050687474.db2.gz HJWMHLHTIQSRMQ-KOIKXXGWSA-N 1 1 341.543 4.153 20 10 EICDMO CN(C)c1ccc(/C=C\CNC[C@H]2CC[N@H+]2C2CCCCCC2)cc1 ZINC001179386098 1050687486 /nfs/dbraw/zinc/68/74/86/1050687486.db2.gz HJWMHLHTIQSRMQ-KOIKXXGWSA-N 1 1 341.543 4.153 20 10 EICDMO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2cc(C)cc(OC)c2O)s1 ZINC001179906290 1050830771 /nfs/dbraw/zinc/83/07/71/1050830771.db2.gz WRYAEEPCYAKAFX-ZDUSSCGKSA-N 1 1 334.485 4.230 20 10 EICDMO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(OC)c(OC)c1O ZINC001179914511 1050833229 /nfs/dbraw/zinc/83/32/29/1050833229.db2.gz YKBQTYCLSWPTQN-UHFFFAOYSA-N 1 1 335.831 4.085 20 10 EICDMO CC[NH+](CC)CCN(Cc1ccccc1)Cc1cc(F)cc(F)c1O ZINC001180023667 1050856643 /nfs/dbraw/zinc/85/66/43/1050856643.db2.gz DNMNOYNDNOZFNX-UHFFFAOYSA-N 1 1 348.437 4.014 20 10 EICDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(Cl)cc2O)C1 ZINC001180029645 1050857353 /nfs/dbraw/zinc/85/73/53/1050857353.db2.gz DLXYZLCNKWAMSQ-CVEARBPZSA-N 1 1 336.907 4.132 20 10 EICDMO C[C@H](C[N@@H+](C)Cc1c(O)cccc1Br)c1ccccc1 ZINC001180072302 1050872644 /nfs/dbraw/zinc/87/26/44/1050872644.db2.gz QHKSORODCDCGOW-CYBMUJFWSA-N 1 1 334.257 4.390 20 10 EICDMO COc1ccc(F)c(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC001180078069 1050877041 /nfs/dbraw/zinc/87/70/41/1050877041.db2.gz YJAHBNXNYVEXAF-UHFFFAOYSA-N 1 1 330.447 4.311 20 10 EICDMO COc1cc(C)c(C[N@H+]2CCC[C@](C)(c3ccccc3)C2)c(O)c1 ZINC001180133347 1050883881 /nfs/dbraw/zinc/88/38/81/1050883881.db2.gz UVEZCLPALLBRMM-NRFANRHFSA-N 1 1 325.452 4.263 20 10 EICDMO CN(C)c1ccc(/C=C/C[N@H+](Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC001180174957 1050895290 /nfs/dbraw/zinc/89/52/90/1050895290.db2.gz PQHVDBIKRPUPSA-YIEJHSOVSA-N 1 1 340.467 4.040 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H](Cc2ccccc2)OC)cc1 ZINC001180359447 1050968185 /nfs/dbraw/zinc/96/81/85/1050968185.db2.gz MPDNXEWPPSSVKT-JOCHJYFZSA-N 1 1 340.511 4.222 20 10 EICDMO COc1cc(C)cc(C[N@H+]2CCC[C@@]2(C)Cc2ccccc2)c1O ZINC001180593033 1051047990 /nfs/dbraw/zinc/04/79/90/1051047990.db2.gz JAOJTLSNXRPRQZ-NRFANRHFSA-N 1 1 325.452 4.306 20 10 EICDMO CN(C)c1cc(F)c(C[N@H+](C)Cc2ccc(F)c(Cl)c2)cc1F ZINC001180874182 1051099785 /nfs/dbraw/zinc/09/97/85/1051099785.db2.gz YQURYUWKYASIGE-UHFFFAOYSA-N 1 1 342.792 4.455 20 10 EICDMO CN(C)c1cc(F)c(C[N@@H+](C)Cc2ccc(F)c(Cl)c2)cc1F ZINC001180874182 1051099799 /nfs/dbraw/zinc/09/97/99/1051099799.db2.gz YQURYUWKYASIGE-UHFFFAOYSA-N 1 1 342.792 4.455 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)C2CCC(F)CC2)c1O ZINC001174932448 1051258276 /nfs/dbraw/zinc/25/82/76/1051258276.db2.gz BSMMHJBUMYGKEO-VLRKGOCCSA-N 1 1 327.827 4.255 20 10 EICDMO CCOC[C@H]1CCCC[N@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001182286812 1051468433 /nfs/dbraw/zinc/46/84/33/1051468433.db2.gz YOCXZESDBFGZED-MRXNPFEDSA-N 1 1 335.488 4.089 20 10 EICDMO Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774207348 1051501918 /nfs/dbraw/zinc/50/19/18/1051501918.db2.gz JIONZLBDKKCLJC-BDJLRTHQSA-N 1 1 340.250 4.392 20 10 EICDMO C[C@H]([NH2+]C[C@@H]1CSCCS1)c1cc(Cl)c(Cl)cc1O ZINC000774220326 1051514782 /nfs/dbraw/zinc/51/47/82/1051514782.db2.gz WGJMXVCCUBECBO-DTWKUNHWSA-N 1 1 338.325 4.198 20 10 EICDMO C[C@H]([NH2+]CCNc1ccccc1)c1cc(Cl)c(Cl)cc1O ZINC000774216537 1051516220 /nfs/dbraw/zinc/51/62/20/1051516220.db2.gz HWRIVNOCVOZDPX-NSHDSACASA-N 1 1 325.239 4.462 20 10 EICDMO C[C@@H]([NH2+]C[C@H]1CSCCS1)c1cc(Cl)c(Cl)cc1O ZINC000774220324 1051516539 /nfs/dbraw/zinc/51/65/39/1051516539.db2.gz WGJMXVCCUBECBO-BDAKNGLRSA-N 1 1 338.325 4.198 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1nnc(-c2ccccc2)o1 ZINC000774482080 1051609698 /nfs/dbraw/zinc/60/96/98/1051609698.db2.gz FKBFTMBLECYUAQ-LSDHHAIUSA-N 1 1 336.439 4.214 20 10 EICDMO CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC001182555422 1051629247 /nfs/dbraw/zinc/62/92/47/1051629247.db2.gz PUXAOTGPHFDRDB-LJQANCHMSA-N 1 1 344.524 4.384 20 10 EICDMO CC[C@H]([NH2+]Cc1nc2ccc(C)cc2[nH]1)c1cc(Cl)ccc1O ZINC000775511658 1051660167 /nfs/dbraw/zinc/66/01/67/1051660167.db2.gz GSOASYGWDDPEKH-AWEZNQCLSA-N 1 1 329.831 4.471 20 10 EICDMO CC[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1cc(Cl)ccc1O ZINC000775523758 1051701100 /nfs/dbraw/zinc/70/11/00/1051701100.db2.gz MBIXKPRKMCEUJR-HUUCEWRRSA-N 1 1 341.785 4.098 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)c1O ZINC001194536030 1052166001 /nfs/dbraw/zinc/16/60/01/1052166001.db2.gz XSFYGBWRXCBPGP-MRXNPFEDSA-N 1 1 327.399 4.114 20 10 EICDMO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001194551844 1052167917 /nfs/dbraw/zinc/16/79/17/1052167917.db2.gz NAGMZQBEJVBNEG-MRXNPFEDSA-N 1 1 343.902 4.117 20 10 EICDMO CCOc1cccc(C[N@H+]2CC[C@H](c3ccccc3Cl)C2)c1O ZINC001203609028 1052180787 /nfs/dbraw/zinc/18/07/87/1052180787.db2.gz GSFIMUCIKGUUTI-AWEZNQCLSA-N 1 1 331.843 4.434 20 10 EICDMO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1ccc(F)cc1O ZINC000184835828 1052247013 /nfs/dbraw/zinc/24/70/13/1052247013.db2.gz OKKGSMMGGXKLOJ-XJKSGUPXSA-N 1 1 334.460 4.081 20 10 EICDMO CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccc2c(c1)OCCO2 ZINC000185107089 1052434366 /nfs/dbraw/zinc/43/43/66/1052434366.db2.gz GMBHUDPCKYHHQI-LRDDRELGSA-N 1 1 331.387 4.104 20 10 EICDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@@H](C(F)(F)F)[C@@H]3C)c2c1 ZINC000794654577 1053250008 /nfs/dbraw/zinc/25/00/08/1053250008.db2.gz DHGQHVFIPKOXPZ-MEDUHNTESA-N 1 1 339.357 4.327 20 10 EICDMO C[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1ccc(N2CCCCCC2)cc1 ZINC000850499420 1053259432 /nfs/dbraw/zinc/25/94/32/1053259432.db2.gz PFVSEIWAZKGTDK-BXWFABGCSA-N 1 1 339.487 4.015 20 10 EICDMO Cc1ccncc1CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000850505819 1053263008 /nfs/dbraw/zinc/26/30/08/1053263008.db2.gz YWWYQLBQPGQVOJ-NSHDSACASA-N 1 1 325.239 4.296 20 10 EICDMO C[C@@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1cccc(C(F)(F)F)c1O ZINC000850542201 1053304482 /nfs/dbraw/zinc/30/44/82/1053304482.db2.gz JDJANUHXAWGTPL-HWPZZCPQSA-N 1 1 337.341 4.455 20 10 EICDMO CC(C)[C@@H](O)[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ccccc1 ZINC000850554446 1053308364 /nfs/dbraw/zinc/30/83/64/1053308364.db2.gz JPLJQOKXVPAHOG-UYHISHBKSA-N 1 1 335.394 4.079 20 10 EICDMO C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)c1ccccc1 ZINC000850584751 1053336003 /nfs/dbraw/zinc/33/60/03/1053336003.db2.gz SVMXJCXNPCPUPY-RVPKQNPDSA-N 1 1 340.250 4.472 20 10 EICDMO CC(C)([NH2+]Cc1cccc(Br)c1O)c1cccs1 ZINC000735087417 1053352469 /nfs/dbraw/zinc/35/24/69/1053352469.db2.gz ZSDQLGYSFFCXMY-UHFFFAOYSA-N 1 1 326.259 4.241 20 10 EICDMO Oc1ccccc1C[N@@H+](CCCCCn1cccn1)Cc1ccco1 ZINC000109761306 1053420134 /nfs/dbraw/zinc/42/01/34/1053420134.db2.gz VDIRIYMRIDPHDW-UHFFFAOYSA-N 1 1 339.439 4.054 20 10 EICDMO C[N@@H+](CCC(=O)Nc1cccc2ccccc21)Cc1ccccc1O ZINC000109771410 1053423044 /nfs/dbraw/zinc/42/30/44/1053423044.db2.gz INDULCPMABAOIL-UHFFFAOYSA-N 1 1 334.419 4.006 20 10 EICDMO Cc1cccc(CC[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)n1 ZINC000794827191 1053439381 /nfs/dbraw/zinc/43/93/81/1053439381.db2.gz IYTMZLIYVKVXNY-LLVKDONJSA-N 1 1 325.239 4.296 20 10 EICDMO COc1ccc(O)c(C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000775667497 1053458125 /nfs/dbraw/zinc/45/81/25/1053458125.db2.gz JTCWKSFRBAHWHI-LAUBAEHRSA-N 1 1 341.451 4.001 20 10 EICDMO Cc1cc(C[NH2+][C@@H]2CCCc3c[nH]nc32)c(C)n1-c1cccc(C)c1 ZINC000765279808 1053490987 /nfs/dbraw/zinc/49/09/87/1053490987.db2.gz IRLXSFHESFKBRE-HXUWFJFHSA-N 1 1 334.467 4.293 20 10 EICDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCCc3ccc(F)cc32)c1 ZINC000794837817 1053494555 /nfs/dbraw/zinc/49/45/55/1053494555.db2.gz ZTACVEHEGYQQMP-SGTLLEGYSA-N 1 1 343.398 4.046 20 10 EICDMO C[C@@H]([NH2+]C1CC(N2CCCCC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000794839051 1053514394 /nfs/dbraw/zinc/51/43/94/1053514394.db2.gz YHXOIAOSQGPFLH-HOHBBMLPSA-N 1 1 341.543 4.344 20 10 EICDMO COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2c2ccccc2OC)c1 ZINC000775682499 1053557487 /nfs/dbraw/zinc/55/74/87/1053557487.db2.gz ZHLNGLOTJCOAAE-GOSISDBHSA-N 1 1 327.424 4.137 20 10 EICDMO CC1(C)CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC(C)(C)C1 ZINC001195995450 1053565027 /nfs/dbraw/zinc/56/50/27/1053565027.db2.gz PQMDASDCKAMAAE-UHFFFAOYSA-N 1 1 330.516 4.171 20 10 EICDMO CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1[O-] ZINC000853240308 1053655884 /nfs/dbraw/zinc/65/58/84/1053655884.db2.gz OSPZUWUCLMNJKX-YJBOKZPZSA-N 1 1 336.907 4.208 20 10 EICDMO C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc2ccccc2c1[O-] ZINC000853240641 1053657600 /nfs/dbraw/zinc/65/76/00/1053657600.db2.gz PTGKTYFXBASQFC-WMZOPIPTSA-N 1 1 338.495 4.318 20 10 EICDMO C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2ccccc2c1[O-] ZINC000853240641 1053657604 /nfs/dbraw/zinc/65/76/04/1053657604.db2.gz PTGKTYFXBASQFC-WMZOPIPTSA-N 1 1 338.495 4.318 20 10 EICDMO C[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)C[C@H](CC(F)(F)F)O1 ZINC000853614423 1053688279 /nfs/dbraw/zinc/68/82/79/1053688279.db2.gz LLAJGAAIPRCODQ-JSGCOSHPSA-N 1 1 339.357 4.087 20 10 EICDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c1O ZINC000775720573 1053693892 /nfs/dbraw/zinc/69/38/92/1053693892.db2.gz MHUJGFMPHFESHV-QGZVFWFLSA-N 1 1 345.870 4.393 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1ccc(F)cc1O ZINC000866541570 1053775593 /nfs/dbraw/zinc/77/55/93/1053775593.db2.gz OUABFIJEOBEMHJ-SECBINFHSA-N 1 1 329.293 4.123 20 10 EICDMO C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1cc(F)ccc1[O-] ZINC000186165190 1054057020 /nfs/dbraw/zinc/05/70/20/1054057020.db2.gz XOTCZYJDSMAUHC-ZLPCBKJTSA-N 1 1 334.479 4.225 20 10 EICDMO C[C@@H]([NH2+]Cc1ncc(-c2cccs2)o1)c1ccc(N(C)C)cc1 ZINC000775831330 1054112576 /nfs/dbraw/zinc/11/25/76/1054112576.db2.gz QNPQXEOPBUEEOJ-CYBMUJFWSA-N 1 1 327.453 4.320 20 10 EICDMO CCO[C@@H](C)c1nc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000775834776 1054116299 /nfs/dbraw/zinc/11/62/99/1054116299.db2.gz CXKFQGAZLUAWSE-KGLIPLIRSA-N 1 1 333.501 4.157 20 10 EICDMO C[C@@H]([NH2+]Cc1cc(-c2cccs2)on1)c1ccc(N(C)C)cc1 ZINC000775837406 1054118818 /nfs/dbraw/zinc/11/88/18/1054118818.db2.gz SGXCHNGGWFLWPF-CYBMUJFWSA-N 1 1 327.453 4.320 20 10 EICDMO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000872132578 1054407675 /nfs/dbraw/zinc/40/76/75/1054407675.db2.gz GPSBUARKOPCCDL-WPRPVWTQSA-N 1 1 326.227 4.209 20 10 EICDMO Cc1cnn(CC[N@@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)c1 ZINC000776004667 1054439327 /nfs/dbraw/zinc/43/93/27/1054439327.db2.gz UNXRDJCBHONPQN-GOSISDBHSA-N 1 1 335.451 4.161 20 10 EICDMO C[C@H](c1ccccc1)[N@@H+](CCOCC1CC1)Cc1ccccc1O ZINC000776008532 1054442602 /nfs/dbraw/zinc/44/26/02/1054442602.db2.gz HIOQKKXUNSUGJN-QGZVFWFLSA-N 1 1 325.452 4.382 20 10 EICDMO Cc1cnc(C[N@@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)cn1 ZINC000776009349 1054442738 /nfs/dbraw/zinc/44/27/38/1054442738.db2.gz JDKPBBHOWBOWOD-QGZVFWFLSA-N 1 1 333.435 4.254 20 10 EICDMO CCN(CC)c1ccc(C[NH2+][C@H]2CCCc3scnc32)cc1F ZINC000858364082 1054474926 /nfs/dbraw/zinc/47/49/26/1054474926.db2.gz RGWOQXOIHCEBGI-HNNXBMFYSA-N 1 1 333.476 4.296 20 10 EICDMO C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000858490529 1054499419 /nfs/dbraw/zinc/49/94/19/1054499419.db2.gz JUZDEMCKRHVVGQ-RYUDHWBXSA-N 1 1 331.287 4.082 20 10 EICDMO COc1cccc(C[N@@H+](C)Cc2ccccc2C(F)(F)F)c1O ZINC000125449636 1054797618 /nfs/dbraw/zinc/79/76/18/1054797618.db2.gz VWBRQPGOHHOCDU-UHFFFAOYSA-N 1 1 325.330 4.052 20 10 EICDMO CN(C)c1ccc(CNc2cccc(CC[N@@H+](C)C3CC3)c2)cc1F ZINC001201735955 1054906574 /nfs/dbraw/zinc/90/65/74/1054906574.db2.gz ZGJBNFVXBRGEDS-UHFFFAOYSA-N 1 1 341.474 4.141 20 10 EICDMO Cc1nc(C)c(C[NH2+]Cc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)o1 ZINC000862354261 1055052297 /nfs/dbraw/zinc/05/22/97/1055052297.db2.gz QCVAMBXPCFHHAK-ZDUSSCGKSA-N 1 1 347.890 4.471 20 10 EICDMO [O-]c1c(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)ccc(F)c1F ZINC000877589259 1055086105 /nfs/dbraw/zinc/08/61/05/1055086105.db2.gz KQDNQYGZKJWWEA-IBGZPJMESA-N 1 1 345.389 4.024 20 10 EICDMO CO[C@H]1C[C@@H](C[N@@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)C1 ZINC000878326272 1055247187 /nfs/dbraw/zinc/24/71/87/1055247187.db2.gz QQIVTVOIZSJJMB-HLIPFELVSA-N 1 1 325.452 4.380 20 10 EICDMO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2cc3c(cc2O)OCO3)cc1 ZINC000742157617 1058536975 /nfs/dbraw/zinc/53/69/75/1058536975.db2.gz UFKNJICGJOLBKX-KRWDZBQOSA-N 1 1 325.408 4.157 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1C ZINC000742162877 1058537157 /nfs/dbraw/zinc/53/71/57/1058537157.db2.gz ODKZCDPDQCJIDQ-MGPUTAFESA-N 1 1 329.415 4.110 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1C ZINC000742162876 1058538738 /nfs/dbraw/zinc/53/87/38/1058538738.db2.gz ODKZCDPDQCJIDQ-FOIQADDNSA-N 1 1 329.415 4.110 20 10 EICDMO Cc1cnc(C[NH2+]Cc2cc(C)n(-c3cccc(C)c3)c2C)s1 ZINC000742378434 1058603999 /nfs/dbraw/zinc/60/39/99/1058603999.db2.gz IJSKAPIEYCLBLL-UHFFFAOYSA-N 1 1 325.481 4.457 20 10 EICDMO COc1ccc2ccc(O)c(C[N@H+]3CCS[C@H](C(C)C)C3)c2c1 ZINC000743396355 1058974881 /nfs/dbraw/zinc/97/48/81/1058974881.db2.gz RCWWJDWAZRFICQ-IBGZPJMESA-N 1 1 331.481 4.127 20 10 EICDMO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@H](C)N(C)Cc2ccccc2)c1 ZINC000379616839 1059607746 /nfs/dbraw/zinc/60/77/46/1059607746.db2.gz CZNJSIYIEVTEOP-ZWKOTPCHSA-N 1 1 326.484 4.262 20 10 EICDMO Cc1ccc([C@H](C)[NH2+]CC[C@@H](C)N(C)Cc2ccccc2)c(O)c1 ZINC000379627296 1059648762 /nfs/dbraw/zinc/64/87/62/1059648762.db2.gz HUAXTOVWLJUSJH-MSOLQXFVSA-N 1 1 326.484 4.262 20 10 EICDMO Oc1cc2c(cc1C[N@@H+](Cc1cccc(F)c1)C1CCCC1)OCO2 ZINC000746065468 1060009993 /nfs/dbraw/zinc/00/99/93/1060009993.db2.gz WNFCQUHGDYXZOR-UHFFFAOYSA-N 1 1 343.398 4.205 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000274577516 1018817719 /nfs/dbraw/zinc/81/77/19/1018817719.db2.gz IIRKPNXFGRCLFN-SECBINFHSA-N 1 1 347.381 4.218 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1cccc2[nH]ccc21)C[C@@H]1CCCO1 ZINC000160206251 1018848112 /nfs/dbraw/zinc/84/81/12/1018848112.db2.gz HUQCRTFPDYIIKV-SFHVURJKSA-N 1 1 336.435 4.055 20 10 EICDMO CC[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1Cl)c1ccc(F)cc1O ZINC000796817970 1019506314 /nfs/dbraw/zinc/50/63/14/1019506314.db2.gz OPUNWNJJPPHTEB-GDBMZVCRSA-N 1 1 341.785 4.098 20 10 EICDMO CC[C@@H]([NH2+][C@@H](c1nccn1C)c1ccc(F)cc1)c1ccccc1O ZINC000155044753 1020205639 /nfs/dbraw/zinc/20/56/39/1020205639.db2.gz OUIDWRALMPNBMX-IEBWSBKVSA-N 1 1 339.414 4.095 20 10 EICDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000376167853 1021649693 /nfs/dbraw/zinc/64/96/93/1021649693.db2.gz TUYVDISAZZWWKG-CYBMUJFWSA-N 1 1 344.361 4.191 20 10 EICDMO Oc1c(F)cccc1C[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000376167853 1021649709 /nfs/dbraw/zinc/64/97/09/1021649709.db2.gz TUYVDISAZZWWKG-CYBMUJFWSA-N 1 1 344.361 4.191 20 10 EICDMO Cc1cc(C[N@H+]2CCc3cccc(O)c3C2)cc(OC(F)(F)F)c1 ZINC001143471580 1022631211 /nfs/dbraw/zinc/63/12/11/1022631211.db2.gz JOWBHVLHIZMBPR-UHFFFAOYSA-N 1 1 337.341 4.158 20 10 EICDMO CC(C)N1CCC([NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000180403683 1022636720 /nfs/dbraw/zinc/63/67/20/1022636720.db2.gz RJANWXPUFFNJLK-GOSISDBHSA-N 1 1 329.532 4.200 20 10 EICDMO c1ccc2c(c1)CO[C@@]21CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000186454649 1023130570 /nfs/dbraw/zinc/13/05/70/1023130570.db2.gz ORISGFZUPIEHBI-HSZRJFAPSA-N 1 1 348.490 4.308 20 10 EICDMO Oc1cccc(Br)c1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000707143487 1023491491 /nfs/dbraw/zinc/49/14/91/1023491491.db2.gz UDFMZISQOCFWIN-CQSZACIVSA-N 1 1 332.241 4.144 20 10 EICDMO CC[C@H]([NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2)c1ccc(F)cc1O ZINC000796684125 1023951286 /nfs/dbraw/zinc/95/12/86/1023951286.db2.gz PLTLDAFPAUYVER-PXAZEXFGSA-N 1 1 345.414 4.104 20 10 EICDMO C[N@@H+](Cc1ccccc1O)Cc1cc(OC(F)(F)F)ccc1F ZINC001143544572 1033174636 /nfs/dbraw/zinc/17/46/36/1033174636.db2.gz GLHXBBRSWODRNL-UHFFFAOYSA-N 1 1 329.293 4.062 20 10 EICDMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c(O)c1OC ZINC000892045537 1025492559 /nfs/dbraw/zinc/49/25/59/1025492559.db2.gz GJYQGKBVINYSKJ-INIZCTEOSA-N 1 1 349.377 4.025 20 10 EICDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cc(F)cc(F)c1OC ZINC001143568207 1025970425 /nfs/dbraw/zinc/97/04/25/1025970425.db2.gz OWWNHYVRKXDEAI-UHFFFAOYSA-N 1 1 334.410 4.062 20 10 EICDMO C[C@H]([NH2+]Cc1cc(Br)ccc1F)c1ccc(F)cc1O ZINC000062748110 1026421876 /nfs/dbraw/zinc/42/18/76/1026421876.db2.gz XURGAYWOBQXKJQ-VIFPVBQESA-N 1 1 342.183 4.284 20 10 EICDMO COc1ccc([C@H]2CCC[N@H+]2Cc2c(O)ccc3ccncc32)cc1 ZINC000021968737 1029027553 /nfs/dbraw/zinc/02/75/53/1029027553.db2.gz QCYGVQTZWBKBTA-HXUWFJFHSA-N 1 1 334.419 4.286 20 10 EICDMO Oc1ccc2ccccc2c1C[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000184880724 1030102573 /nfs/dbraw/zinc/10/25/73/1030102573.db2.gz OLIRTQSDVVECLP-MRXNPFEDSA-N 1 1 342.489 4.292 20 10 EICDMO Oc1ccc2ccccc2c1C[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000184880724 1030102590 /nfs/dbraw/zinc/10/25/90/1030102590.db2.gz OLIRTQSDVVECLP-MRXNPFEDSA-N 1 1 342.489 4.292 20 10 EICDMO C[C@H]([NH2+][C@@H](c1nccs1)c1ccccc1)c1cc(F)ccc1O ZINC000185235841 1030134982 /nfs/dbraw/zinc/13/49/82/1030134982.db2.gz CFWQIUQJOBVHJH-YVEFUNNKSA-N 1 1 328.412 4.428 20 10 EICDMO C[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1cc(Cl)ccc1O ZINC000186060922 1030245031 /nfs/dbraw/zinc/24/50/31/1030245031.db2.gz APFKHZQSRRIYQG-ZDUSSCGKSA-N 1 1 339.826 4.353 20 10 EICDMO C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)c1cn(-c2ccccc2)nn1 ZINC000186112741 1030253615 /nfs/dbraw/zinc/25/36/15/1030253615.db2.gz DDEOGOBMXACRMW-CHWSQXEVSA-N 1 1 342.830 4.038 20 10 EICDMO COc1ccc(-c2ccncc2)cc1C[N@@H+](C)Cc1ccccc1O ZINC000186907980 1030311244 /nfs/dbraw/zinc/31/12/44/1030311244.db2.gz KUOWRGFBGLPYIG-UHFFFAOYSA-N 1 1 334.419 4.095 20 10 EICDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)[C@H](C)C1 ZINC001167686137 1030998495 /nfs/dbraw/zinc/99/84/95/1030998495.db2.gz NUIJLGBUICNMJA-TZIWHRDSSA-N 1 1 343.559 4.147 20 10 EICDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)[C@H](C)C1 ZINC001167686137 1030998508 /nfs/dbraw/zinc/99/85/08/1030998508.db2.gz NUIJLGBUICNMJA-TZIWHRDSSA-N 1 1 343.559 4.147 20 10 EICDMO COc1cccc([C@@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)CCO2)c1 ZINC000166110282 1037065912 /nfs/dbraw/zinc/06/59/12/1037065912.db2.gz VIYPCEKOKIVBRU-QFIPXVFZSA-N 1 1 349.430 4.128 20 10 EICDMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2noc(-c3ccccc3)n2)c(O)c1C ZINC000273370075 1037439306 /nfs/dbraw/zinc/43/93/06/1037439306.db2.gz CGPZMZXNHHZREC-CABCVRRESA-N 1 1 337.423 4.471 20 10 EICDMO C[C@H]1CCCC[N@@H+]1CCCNCc1ccc(N2CCCCC2)cc1 ZINC000324057971 1041819262 /nfs/dbraw/zinc/81/92/62/1041819262.db2.gz WDJGBBAVDOLAJW-IBGZPJMESA-N 1 1 329.532 4.031 20 10 EICDMO C[C@H]1CCCC[N@H+]1CCCNCc1ccc(N2CCCCC2)cc1 ZINC000324057971 1041819265 /nfs/dbraw/zinc/81/92/65/1041819265.db2.gz WDJGBBAVDOLAJW-IBGZPJMESA-N 1 1 329.532 4.031 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+][C@H](C)c2ccsc2)c1 ZINC000800889185 1042841261 /nfs/dbraw/zinc/84/12/61/1042841261.db2.gz KNOKXYXMUXPSKH-SNVBAGLBSA-N 1 1 326.259 4.375 20 10 EICDMO CCCC[N@@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccccc1O ZINC000282476216 1043205779 /nfs/dbraw/zinc/20/57/79/1043205779.db2.gz OHVLBGSPWVDWJR-UHFFFAOYSA-N 1 1 337.423 4.245 20 10 EICDMO CCCN(CCC)c1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000727644356 1043255384 /nfs/dbraw/zinc/25/53/84/1043255384.db2.gz BNCAKIOERRKCTC-NHCUHLMSSA-N 1 1 329.532 4.029 20 10 EICDMO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CCN3CCCC[C@H]23)cc1 ZINC000727644356 1043255407 /nfs/dbraw/zinc/25/54/07/1043255407.db2.gz BNCAKIOERRKCTC-NHCUHLMSSA-N 1 1 329.532 4.029 20 10 EICDMO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1nc(C(F)(F)F)cs1 ZINC000922073228 1043413920 /nfs/dbraw/zinc/41/39/20/1043413920.db2.gz PQYYNVOXZRWAFQ-JTQLQIEISA-N 1 1 342.386 4.338 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1ccco1)Cc1ccnc(Cl)c1 ZINC000731844427 1043833710 /nfs/dbraw/zinc/83/37/10/1043833710.db2.gz HGBIVDBQONLRDQ-UHFFFAOYSA-N 1 1 328.799 4.236 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1ccco1)Cc1ccnc(Cl)c1 ZINC000731844427 1043833713 /nfs/dbraw/zinc/83/37/13/1043833713.db2.gz HGBIVDBQONLRDQ-UHFFFAOYSA-N 1 1 328.799 4.236 20 10 EICDMO Cc1ccccc1NC(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000731847154 1043834391 /nfs/dbraw/zinc/83/43/91/1043834391.db2.gz FRNWFYAMWWGDHF-UHFFFAOYSA-N 1 1 338.451 4.084 20 10 EICDMO CC(C)(C)c1noc(C[N@@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000731847305 1043834937 /nfs/dbraw/zinc/83/49/37/1043834937.db2.gz IMBZSJIIWPYREU-UHFFFAOYSA-N 1 1 329.444 4.018 20 10 EICDMO C[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)Cc1ccccc1O ZINC000731843406 1043835814 /nfs/dbraw/zinc/83/58/14/1043835814.db2.gz CYMXAEKXMDQQIL-UHFFFAOYSA-N 1 1 343.430 4.339 20 10 EICDMO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+](C)Cc1ccccc1O ZINC000731842832 1043835852 /nfs/dbraw/zinc/83/58/52/1043835852.db2.gz IOGHSLNPRADREP-OAHLLOKOSA-N 1 1 340.467 4.149 20 10 EICDMO Oc1ccc2ccccc2c1C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000732202030 1043886239 /nfs/dbraw/zinc/88/62/39/1043886239.db2.gz DYNHJIOAUIXPNH-GOSISDBHSA-N 1 1 325.452 4.469 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1ccc2c(c1)OCCO2)C1CCCC1 ZINC000732204318 1043888105 /nfs/dbraw/zinc/88/81/05/1043888105.db2.gz INWMPPVWPOIQSZ-UHFFFAOYSA-N 1 1 339.435 4.108 20 10 EICDMO Oc1ccccc1C[N@H+](C[C@@H](O)c1c(F)cccc1F)C1CCCC1 ZINC000732205722 1043888215 /nfs/dbraw/zinc/88/82/15/1043888215.db2.gz YFWOAWOPDILJAP-LJQANCHMSA-N 1 1 347.405 4.149 20 10 EICDMO Cc1cnn(CCCCC[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000732408587 1043919842 /nfs/dbraw/zinc/91/98/42/1043919842.db2.gz PXWZJCWALPEYCI-UHFFFAOYSA-N 1 1 342.531 4.338 20 10 EICDMO CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000733325572 1044188942 /nfs/dbraw/zinc/18/89/42/1044188942.db2.gz KGRPDYDDWJSXMS-UHFFFAOYSA-N 1 1 332.875 4.176 20 10 EICDMO CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000733325572 1044188962 /nfs/dbraw/zinc/18/89/62/1044188962.db2.gz KGRPDYDDWJSXMS-UHFFFAOYSA-N 1 1 332.875 4.176 20 10 EICDMO C[C@@H]([NH2+]CCCCC(=O)OCc1ccccc1)c1ccc(F)cc1O ZINC000186520525 1044248609 /nfs/dbraw/zinc/24/86/09/1044248609.db2.gz LUQLAGYMXQJLSI-OAHLLOKOSA-N 1 1 345.414 4.096 20 10 EICDMO C[C@H]([NH2+]C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1)c1ccccc1O ZINC001168023387 1044579883 /nfs/dbraw/zinc/57/98/83/1044579883.db2.gz VXOVCLHXSKLGSP-KURKYZTESA-N 1 1 338.495 4.484 20 10 EICDMO CC(C)n1ccc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000735167863 1044755900 /nfs/dbraw/zinc/75/59/00/1044755900.db2.gz ASBBUOPKKIWDOG-UHFFFAOYSA-N 1 1 326.488 4.086 20 10 EICDMO CC(C)n1ccc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000735167863 1044755911 /nfs/dbraw/zinc/75/59/11/1044755911.db2.gz ASBBUOPKKIWDOG-UHFFFAOYSA-N 1 1 326.488 4.086 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](Cc3ccc(F)cc3)C1)CCC2 ZINC000736590444 1044955893 /nfs/dbraw/zinc/95/58/93/1044955893.db2.gz VIZKMWPCVYQFLR-INIZCTEOSA-N 1 1 325.427 4.085 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](Cc3ccc(F)cc3)C1)CCC2 ZINC000736590447 1044956978 /nfs/dbraw/zinc/95/69/78/1044956978.db2.gz VIZKMWPCVYQFLR-MRXNPFEDSA-N 1 1 325.427 4.085 20 10 EICDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)C1(C)C ZINC000740862193 1045231916 /nfs/dbraw/zinc/23/19/16/1045231916.db2.gz AJAHNISCUBTEMX-IRXDYDNUSA-N 1 1 335.488 4.031 20 10 EICDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2c(O)ccc3ccc(OC)cc32)C1(C)C ZINC000740863693 1045232773 /nfs/dbraw/zinc/23/27/73/1045232773.db2.gz WSNNADLWYMOWKA-VQTJNVASSA-N 1 1 343.467 4.189 20 10 EICDMO Cc1cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)n1-c1cccc(C)c1 ZINC000915683209 1045448123 /nfs/dbraw/zinc/44/81/23/1045448123.db2.gz PDZIYIFKXAZKBO-LEWJYISDSA-N 1 1 337.511 4.119 20 10 EICDMO Cc1cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)n1-c1cccc(C)c1 ZINC000915683209 1045448125 /nfs/dbraw/zinc/44/81/25/1045448125.db2.gz PDZIYIFKXAZKBO-LEWJYISDSA-N 1 1 337.511 4.119 20 10 EICDMO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000790960021 1045637938 /nfs/dbraw/zinc/63/79/38/1045637938.db2.gz RQWUUPUAXKNKEF-HIFRSBDPSA-N 1 1 348.849 4.110 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000790977791 1045664226 /nfs/dbraw/zinc/66/42/26/1045664226.db2.gz UBQLMBRPPNDPKS-GFCCVEGCSA-N 1 1 327.827 4.156 20 10 EICDMO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790982076 1045668995 /nfs/dbraw/zinc/66/89/95/1045668995.db2.gz PZWACOKTIDEQDX-BTDLBPIBSA-N 1 1 341.785 4.190 20 10 EICDMO CC[N@@H+](Cc1c[nH]nc1-c1ccc(C)o1)Cc1ccc(N(C)C)cc1 ZINC000768134741 1045724959 /nfs/dbraw/zinc/72/49/59/1045724959.db2.gz UBQCQCFKENKAEG-UHFFFAOYSA-N 1 1 338.455 4.066 20 10 EICDMO C[N@@H+](Cc1cccs1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768159356 1045726024 /nfs/dbraw/zinc/72/60/24/1045726024.db2.gz BQKZLQPUBLYWSC-UHFFFAOYSA-N 1 1 345.468 4.279 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1cccc2cc[nH]c21)C[C@@H]1CCCO1 ZINC000768162144 1045728610 /nfs/dbraw/zinc/72/86/10/1045728610.db2.gz MGSGNCHSCMNYLH-IBGZPJMESA-N 1 1 336.435 4.055 20 10 EICDMO CCOc1ccc(C[N@@H+](C)Cc2nc3ccccc3s2)c(O)c1 ZINC000768199155 1045739706 /nfs/dbraw/zinc/73/97/06/1045739706.db2.gz CMVNMNKYPJDMJT-UHFFFAOYSA-N 1 1 328.437 4.033 20 10 EICDMO CCOc1ccc(C[N@H+](C)Cc2nc3ccccc3s2)c(O)c1 ZINC000768199155 1045739690 /nfs/dbraw/zinc/73/96/90/1045739690.db2.gz CMVNMNKYPJDMJT-UHFFFAOYSA-N 1 1 328.437 4.033 20 10 EICDMO C[N@@H+](Cc1ccccc1N1CCCC1)Cc1c(O)cccc1Cl ZINC000768207030 1045742618 /nfs/dbraw/zinc/74/26/18/1045742618.db2.gz ODBFTXGDALSRRP-UHFFFAOYSA-N 1 1 330.859 4.278 20 10 EICDMO COc1cc(C[N@@H+](C)Cc2cc(-c3ccccc3)ccc2O)ccc1O ZINC000768239078 1045752152 /nfs/dbraw/zinc/75/21/52/1045752152.db2.gz CEZYHKNHWNAAMJ-UHFFFAOYSA-N 1 1 349.430 4.405 20 10 EICDMO Oc1c(Br)cccc1C[N@H+](Cc1ccccc1)C1CC1 ZINC000768231682 1045759081 /nfs/dbraw/zinc/75/90/81/1045759081.db2.gz VXOCIYHTKBHYSF-UHFFFAOYSA-N 1 1 332.241 4.319 20 10 EICDMO Oc1c(Br)cccc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000768231682 1045759090 /nfs/dbraw/zinc/75/90/90/1045759090.db2.gz VXOCIYHTKBHYSF-UHFFFAOYSA-N 1 1 332.241 4.319 20 10 EICDMO Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000768237901 1045762217 /nfs/dbraw/zinc/76/22/17/1045762217.db2.gz SJVNEUIYMLVZKD-QFIPXVFZSA-N 1 1 336.479 4.169 20 10 EICDMO Cc1ccc(C[N@H+](Cc2cccc(Br)c2O)C2CC2)o1 ZINC000768257554 1045768469 /nfs/dbraw/zinc/76/84/69/1045768469.db2.gz MJFIZXLZGNTBDA-UHFFFAOYSA-N 1 1 336.229 4.221 20 10 EICDMO Cc1ccc(C[N@@H+](Cc2cccc(Br)c2O)C2CC2)o1 ZINC000768257554 1045768485 /nfs/dbraw/zinc/76/84/85/1045768485.db2.gz MJFIZXLZGNTBDA-UHFFFAOYSA-N 1 1 336.229 4.221 20 10 EICDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000768330189 1045789366 /nfs/dbraw/zinc/78/93/66/1045789366.db2.gz PGQHYSAUTAXTHK-QFIPXVFZSA-N 1 1 336.479 4.169 20 10 EICDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(OC)c(C)cc2O)cc1 ZINC000768440824 1045807810 /nfs/dbraw/zinc/80/78/10/1045807810.db2.gz FITFDDFVLRPNLD-SFHVURJKSA-N 1 1 327.424 4.055 20 10 EICDMO COc1cc(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c(O)cc1C ZINC000768449720 1045809128 /nfs/dbraw/zinc/80/91/28/1045809128.db2.gz ZKOIMMZEBAGRRP-KRWDZBQOSA-N 1 1 333.378 4.325 20 10 EICDMO COc1cc(C[N@@H+](C)Cc2cccc(OC(C)C)c2)c(O)cc1C ZINC000768465889 1045810932 /nfs/dbraw/zinc/81/09/32/1045810932.db2.gz RUWQJOQSBDUIGV-UHFFFAOYSA-N 1 1 329.440 4.128 20 10 EICDMO Oc1ccc2ccncc2c1C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000768908133 1045858491 /nfs/dbraw/zinc/85/84/91/1045858491.db2.gz CHXOFYPAFLDDFI-CQSZACIVSA-N 1 1 340.373 4.208 20 10 EICDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000769147174 1045879967 /nfs/dbraw/zinc/87/99/67/1045879967.db2.gz BSSXLLWHQBXTEW-CVEARBPZSA-N 1 1 336.907 4.132 20 10 EICDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000769147183 1045880119 /nfs/dbraw/zinc/88/01/19/1045880119.db2.gz BSSXLLWHQBXTEW-JKSUJKDBSA-N 1 1 336.907 4.132 20 10 EICDMO COc1cc(C[N@@H+](C)Cc2ccc(N(C)C)c(F)c2)ccc1SC ZINC000769192800 1045885778 /nfs/dbraw/zinc/88/57/78/1045885778.db2.gz PGCZJRMQUPPYOJ-UHFFFAOYSA-N 1 1 348.487 4.254 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)Cc1ccc(OC)c(OC)c1Cl ZINC000769201071 1045893817 /nfs/dbraw/zinc/89/38/17/1045893817.db2.gz PWSVJTWCVQGXSI-UHFFFAOYSA-N 1 1 349.858 4.475 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1cn2cccc(F)c2n1)C1CCCC1 ZINC000769385328 1045944242 /nfs/dbraw/zinc/94/42/42/1045944242.db2.gz VXKUPRLFAUROQG-UHFFFAOYSA-N 1 1 339.414 4.124 20 10 EICDMO CC(C)(C)c1n[nH]cc1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000769384466 1045944426 /nfs/dbraw/zinc/94/44/26/1045944426.db2.gz OYHYDYGHKKQXOJ-UHFFFAOYSA-N 1 1 327.472 4.358 20 10 EICDMO CCOc1cccc(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c1O ZINC000769428158 1045958263 /nfs/dbraw/zinc/95/82/63/1045958263.db2.gz MSLSTGRKGMHNPT-QGZVFWFLSA-N 1 1 333.378 4.406 20 10 EICDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000769445440 1045973653 /nfs/dbraw/zinc/97/36/53/1045973653.db2.gz IIHICODUUIGSTK-UHFFFAOYSA-N 1 1 328.500 4.070 20 10 EICDMO COCC[N@@H+](Cc1ccc(C)o1)Cc1ccc(N2CCCCC2)cc1 ZINC000769501760 1045996184 /nfs/dbraw/zinc/99/61/84/1045996184.db2.gz QCGPFJOYBQZGJK-UHFFFAOYSA-N 1 1 342.483 4.227 20 10 EICDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000769532351 1046010439 /nfs/dbraw/zinc/01/04/39/1046010439.db2.gz JGCFFQSSUVKTLD-OAHLLOKOSA-N 1 1 342.508 4.416 20 10 EICDMO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cc(Br)ccc1O ZINC000769537544 1046012902 /nfs/dbraw/zinc/01/29/02/1046012902.db2.gz LVYRZOJIAFBWGT-MRXNPFEDSA-N 1 1 349.272 4.220 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000770320650 1046178231 /nfs/dbraw/zinc/17/82/31/1046178231.db2.gz DVLJVJIUOIELQN-PMACEKPBSA-N 1 1 342.483 4.214 20 10 EICDMO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000770325635 1046180533 /nfs/dbraw/zinc/18/05/33/1046180533.db2.gz JNLJGMYJXSWGLE-IEBWSBKVSA-N 1 1 349.833 4.273 20 10 EICDMO CCOc1cccc(C[N@@H+]2CCc3c(F)cc(F)cc3[C@H]2C)c1O ZINC000770326459 1046181379 /nfs/dbraw/zinc/18/13/79/1046181379.db2.gz PNZZYVJLFJECFJ-GFCCVEGCSA-N 1 1 333.378 4.188 20 10 EICDMO CCOc1cccc(C[N@H+]2CCc3c(F)cc(F)cc3[C@H]2C)c1O ZINC000770326459 1046181382 /nfs/dbraw/zinc/18/13/82/1046181382.db2.gz PNZZYVJLFJECFJ-GFCCVEGCSA-N 1 1 333.378 4.188 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)cc1C ZINC000770326720 1046181557 /nfs/dbraw/zinc/18/15/57/1046181557.db2.gz QVNPADLIXGJWKC-QUCCMNQESA-N 1 1 343.467 4.470 20 10 EICDMO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000770325639 1046181652 /nfs/dbraw/zinc/18/16/52/1046181652.db2.gz JNLJGMYJXSWGLE-MJGOQNOKSA-N 1 1 349.833 4.273 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000770509998 1046211264 /nfs/dbraw/zinc/21/12/64/1046211264.db2.gz GAIJCJIPSNTYFH-UHFFFAOYSA-N 1 1 332.241 4.319 20 10 EICDMO CCOc1cccc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000771934902 1046528499 /nfs/dbraw/zinc/52/84/99/1046528499.db2.gz GVYFHHSJNIPEFN-UHFFFAOYSA-N 1 1 339.483 4.103 20 10 EICDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(-n2cccn2)cc1 ZINC000917074569 1046638442 /nfs/dbraw/zinc/63/84/42/1046638442.db2.gz AKMOVEKBPYWUIV-UHFFFAOYSA-N 1 1 348.494 4.349 20 10 EICDMO COC[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ccc(Cl)cc1 ZINC000786955809 1046884076 /nfs/dbraw/zinc/88/40/76/1046884076.db2.gz DPVRXYZYRPGWJZ-MGPLVRAMSA-N 1 1 341.785 4.362 20 10 EICDMO Oc1ccccc1C[N@@H+](CCOCC(F)(F)C(F)F)C1CCCC1 ZINC000787247063 1046957495 /nfs/dbraw/zinc/95/74/95/1046957495.db2.gz RCMIJIFIXIBUSM-UHFFFAOYSA-N 1 1 349.368 4.054 20 10 EICDMO CCC[N@@H+](Cc1cc(C)ccc1O)[C@H](C)C(=O)Nc1ccccc1C ZINC000787331805 1046982120 /nfs/dbraw/zinc/98/21/20/1046982120.db2.gz GTHIJRZEWUENRP-QGZVFWFLSA-N 1 1 340.467 4.248 20 10 EICDMO CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132532 1047128168 /nfs/dbraw/zinc/12/81/68/1047128168.db2.gz XKKHOKBQFBXWGY-JYJNAYRXSA-N 1 1 343.298 4.367 20 10 EICDMO CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132532 1047128182 /nfs/dbraw/zinc/12/81/82/1047128182.db2.gz XKKHOKBQFBXWGY-JYJNAYRXSA-N 1 1 343.298 4.367 20 10 EICDMO CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139952 1047135942 /nfs/dbraw/zinc/13/59/42/1047135942.db2.gz STOOYISFODZOOW-IAQYHMDHSA-N 1 1 331.287 4.082 20 10 EICDMO CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806129695 1047150578 /nfs/dbraw/zinc/15/05/78/1047150578.db2.gz ICQWWNUOVJJFQP-MRXNPFEDSA-N 1 1 343.298 4.367 20 10 EICDMO CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806131123 1047155684 /nfs/dbraw/zinc/15/56/84/1047155684.db2.gz GOGRYKFUGFLXFD-XHDPSFHLSA-N 1 1 331.287 4.082 20 10 EICDMO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](Cc2ccc(C)s2)C1 ZINC001204033433 1047187705 /nfs/dbraw/zinc/18/77/05/1047187705.db2.gz YYCITZQLAVSDCV-UHFFFAOYSA-N 1 1 326.465 4.115 20 10 EICDMO COc1ccc2c(c1)c1c(n2C)CC[N@H+](Cc2ccc(C)s2)C1 ZINC001204033433 1047187710 /nfs/dbraw/zinc/18/77/10/1047187710.db2.gz YYCITZQLAVSDCV-UHFFFAOYSA-N 1 1 326.465 4.115 20 10 EICDMO CC[C@@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1ccc(F)cc1O ZINC000806181006 1047203137 /nfs/dbraw/zinc/20/31/37/1047203137.db2.gz VAFJMQRBPGNCGI-SUMWQHHRSA-N 1 1 337.822 4.002 20 10 EICDMO C[C@@H]([NH2+]CCn1cnc2ccccc21)c1cccc(C(F)(F)F)c1O ZINC000788575442 1047237169 /nfs/dbraw/zinc/23/71/69/1047237169.db2.gz WQWYJYPYLNFVFD-GFCCVEGCSA-N 1 1 349.356 4.112 20 10 EICDMO C[C@@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1O ZINC000788615161 1047251089 /nfs/dbraw/zinc/25/10/89/1047251089.db2.gz WBIVWGWWPFGKKD-CVEARBPZSA-N 1 1 328.431 4.099 20 10 EICDMO C[C@H]([NH2+]CCc1ccc(Cl)nc1)c1cccc(C(F)(F)F)c1O ZINC000788632297 1047255218 /nfs/dbraw/zinc/25/52/18/1047255218.db2.gz PNJDZARJSTZCOB-JTQLQIEISA-N 1 1 344.764 4.353 20 10 EICDMO C[C@@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1cccc(C(F)(F)F)c1O ZINC000788741788 1047302074 /nfs/dbraw/zinc/30/20/74/1047302074.db2.gz VDZDXYBRKUOZGH-JHJVBQTASA-N 1 1 331.378 4.267 20 10 EICDMO COc1ccc(N2CCC([NH2+]CC(F)(F)c3ccccc3)CC2)cc1 ZINC000788980006 1047350149 /nfs/dbraw/zinc/35/01/49/1047350149.db2.gz JVVYMMKKUQSKLM-UHFFFAOYSA-N 1 1 346.421 4.046 20 10 EICDMO Oc1ccc2oc3c(c2c1C[N@H+]1CC[C@]2(C1)CCCOC2)CCCC3 ZINC000789564501 1047441548 /nfs/dbraw/zinc/44/15/48/1047441548.db2.gz HAZUQBSNBSIASG-NRFANRHFSA-N 1 1 341.451 4.020 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1cc2ccccc2[nH]1)C[C@@H]1CCCO1 ZINC000789722571 1047468908 /nfs/dbraw/zinc/46/89/08/1047468908.db2.gz MLXUKJZPQZXXEE-IBGZPJMESA-N 1 1 336.435 4.055 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](c3ccccc3F)C2)c1O ZINC001170535129 1047519706 /nfs/dbraw/zinc/51/97/06/1047519706.db2.gz FXPVNAGKQCKZBX-ZDUSSCGKSA-N 1 1 347.817 4.377 20 10 EICDMO COc1cc(O)c(C[N@H+]2CC(C)(C)[C@H]2c2cccs2)cc1OC ZINC000808223420 1047629822 /nfs/dbraw/zinc/62/98/22/1047629822.db2.gz MCSRVFGTRUJFNX-QGZVFWFLSA-N 1 1 333.453 4.054 20 10 EICDMO COc1cccc(CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c1O ZINC000824383497 1047864844 /nfs/dbraw/zinc/86/48/44/1047864844.db2.gz ODZOTQZYHWEKMH-UHFFFAOYSA-N 1 1 348.531 4.170 20 10 EICDMO CCCN(CCC)c1ccc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)cc1 ZINC000825017718 1048020372 /nfs/dbraw/zinc/02/03/72/1048020372.db2.gz YCEFWUSIRFPUIA-QFBILLFUSA-N 1 1 326.488 4.305 20 10 EICDMO CCCN(CCC)c1ccc(C[NH2+]Cc2ncccc2OC)cc1 ZINC000825249400 1048057341 /nfs/dbraw/zinc/05/73/41/1048057341.db2.gz GEMSZKQFPCILKT-UHFFFAOYSA-N 1 1 327.472 4.006 20 10 EICDMO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2COc3cc(F)cc(F)c32)c1O ZINC000808715500 1048061118 /nfs/dbraw/zinc/06/11/18/1048061118.db2.gz USYGNDZKOGTCGU-OTYXRUKQSA-N 1 1 339.769 4.417 20 10 EICDMO CO[C@H](C)c1nc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)cs1 ZINC000808701394 1048080286 /nfs/dbraw/zinc/08/02/86/1048080286.db2.gz WPSKAVZKPHCCFF-WDEREUQCSA-N 1 1 340.876 4.369 20 10 EICDMO COC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1cccc(Cl)c1 ZINC000808731787 1048094817 /nfs/dbraw/zinc/09/48/17/1048094817.db2.gz ALGBVUMYAFBDLY-QFYYESIMSA-N 1 1 341.785 4.362 20 10 EICDMO CC[N@@H+](Cc1ccccc1O)Cc1ccc(OC(F)(F)F)cc1F ZINC001143791602 1048205260 /nfs/dbraw/zinc/20/52/60/1048205260.db2.gz WLEFKCJIOGXBSQ-UHFFFAOYSA-N 1 1 343.320 4.452 20 10 EICDMO Cc1nnsc1C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000844315447 1048293420 /nfs/dbraw/zinc/29/34/20/1048293420.db2.gz ZQEYIMLFENEPMN-OAHLLOKOSA-N 1 1 339.464 4.316 20 10 EICDMO Cc1nnsc1C[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000844315447 1048293436 /nfs/dbraw/zinc/29/34/36/1048293436.db2.gz ZQEYIMLFENEPMN-OAHLLOKOSA-N 1 1 339.464 4.316 20 10 EICDMO Oc1cccc(Cl)c1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000809700118 1048465325 /nfs/dbraw/zinc/46/53/25/1048465325.db2.gz XVHORLSDDCIBNJ-SZVBFZGTSA-N 1 1 343.854 4.050 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC=C(c3ccco3)C2)c1 ZINC000809688164 1048478884 /nfs/dbraw/zinc/47/88/84/1048478884.db2.gz CRCDBMREQVJLQC-UHFFFAOYSA-N 1 1 348.240 4.345 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC=C(c3ccco3)C2)c1 ZINC000809688164 1048478894 /nfs/dbraw/zinc/47/88/94/1048478894.db2.gz CRCDBMREQVJLQC-UHFFFAOYSA-N 1 1 348.240 4.345 20 10 EICDMO CN(C)c1ccc(C[N@H+](Cc2ccco2)C[C@@H]2CCC=CO2)cc1 ZINC000809731926 1048485521 /nfs/dbraw/zinc/48/55/21/1048485521.db2.gz XJTAMTCCZKXQPK-IBGZPJMESA-N 1 1 326.440 4.041 20 10 EICDMO CCOC1CC2(C1)CC[N@@H+](Cc1cc(-c3ccccc3)ccc1O)C2 ZINC000809707676 1048488970 /nfs/dbraw/zinc/48/89/70/1048488970.db2.gz LIBLNMCNDHXYTE-UHFFFAOYSA-N 1 1 337.463 4.450 20 10 EICDMO COc1ccc(O)c(C[N@@H+](Cc2cccnc2)Cc2ccccc2C)c1 ZINC000809736020 1048507977 /nfs/dbraw/zinc/50/79/77/1048507977.db2.gz ZEZRYZXBJMGELE-UHFFFAOYSA-N 1 1 348.446 4.307 20 10 EICDMO Cc1cccc2nc(C[NH2+][C@H](C)c3cccc(C(F)(F)F)c3O)cn21 ZINC000815578253 1048518882 /nfs/dbraw/zinc/51/88/82/1048518882.db2.gz KOOIXMTUYQTTGU-GFCCVEGCSA-N 1 1 349.356 4.218 20 10 EICDMO C[C@H]([NH2+]CC1(O)CCCCCC1)c1cccc(C(F)(F)F)c1O ZINC000815581963 1048520587 /nfs/dbraw/zinc/52/05/87/1048520587.db2.gz UIUFFTDGQGJHKS-LBPRGKRZSA-N 1 1 331.378 4.147 20 10 EICDMO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000809757681 1048522287 /nfs/dbraw/zinc/52/22/87/1048522287.db2.gz QXGDSGWSZAHPBL-GOSISDBHSA-N 1 1 327.472 4.466 20 10 EICDMO COC1CCC(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000815586219 1048525092 /nfs/dbraw/zinc/52/50/92/1048525092.db2.gz BTHWGKAWTBRWPL-PNESKVBLSA-N 1 1 331.378 4.267 20 10 EICDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000809784007 1048532009 /nfs/dbraw/zinc/53/20/09/1048532009.db2.gz OZQYCNKKDYUCLY-KRWDZBQOSA-N 1 1 345.439 4.001 20 10 EICDMO Cc1cccc(CCC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)n1 ZINC000815625011 1048549280 /nfs/dbraw/zinc/54/92/80/1048549280.db2.gz QAXXYUDVTGTFKD-CYBMUJFWSA-N 1 1 338.373 4.398 20 10 EICDMO CSc1ccc([C@H](C[NH2+][C@H](C)c2ccc(F)cc2O)N(C)C)cc1 ZINC000815659462 1048561859 /nfs/dbraw/zinc/56/18/59/1048561859.db2.gz CFYMENPBALFVQC-ACJLOTCBSA-N 1 1 348.487 4.207 20 10 EICDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)cc(C(C)=O)c2O)cc1 ZINC000748046911 1048702378 /nfs/dbraw/zinc/70/23/78/1048702378.db2.gz WVCUGGIDRHAOEL-LJQANCHMSA-N 1 1 343.398 4.080 20 10 EICDMO CC[C@@]1(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)OCCc2ccccc21 ZINC000810242372 1048724184 /nfs/dbraw/zinc/72/41/84/1048724184.db2.gz AJKPCIUJVMBOSK-XCLFUZPHSA-N 1 1 347.405 4.199 20 10 EICDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816521116 1048819710 /nfs/dbraw/zinc/81/97/10/1048819710.db2.gz HPECPAMAGAUALW-INIZCTEOSA-N 1 1 341.451 4.101 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000816502689 1048821878 /nfs/dbraw/zinc/82/18/78/1048821878.db2.gz LUELLWNNUWJANY-GOSISDBHSA-N 1 1 335.806 4.148 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000816502689 1048821882 /nfs/dbraw/zinc/82/18/82/1048821882.db2.gz LUELLWNNUWJANY-GOSISDBHSA-N 1 1 335.806 4.148 20 10 EICDMO COc1ccccc1[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816514821 1048822686 /nfs/dbraw/zinc/82/26/86/1048822686.db2.gz IFQZPNOCUXHVFL-GFCCVEGCSA-N 1 1 335.806 4.183 20 10 EICDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816514821 1048822691 /nfs/dbraw/zinc/82/26/91/1048822691.db2.gz IFQZPNOCUXHVFL-GFCCVEGCSA-N 1 1 335.806 4.183 20 10 EICDMO C[C@@]1(c2ccccc2)C[N@@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816509229 1048822821 /nfs/dbraw/zinc/82/28/21/1048822821.db2.gz IRSOUASYKWGITH-QFIPXVFZSA-N 1 1 333.431 4.293 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000816541290 1048826492 /nfs/dbraw/zinc/82/64/92/1048826492.db2.gz IOWSZSYVNAUYNI-MSOLQXFVSA-N 1 1 335.806 4.195 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000816548994 1048828359 /nfs/dbraw/zinc/82/83/59/1048828359.db2.gz ZSSPDHNMECNFTQ-UHFFFAOYSA-N 1 1 345.748 4.118 20 10 EICDMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1cccc(-n2cccn2)c1 ZINC000816553969 1048833424 /nfs/dbraw/zinc/83/34/24/1048833424.db2.gz LMCDFBSOPWJXGG-GFCCVEGCSA-N 1 1 345.805 4.221 20 10 EICDMO Cc1ccc([C@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)cc1[N+](=O)[O-] ZINC000816554675 1048833924 /nfs/dbraw/zinc/83/39/24/1048833924.db2.gz GDYDCGWODUXRQW-JTQLQIEISA-N 1 1 338.766 4.252 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000816556815 1048834610 /nfs/dbraw/zinc/83/46/10/1048834610.db2.gz UVRPDWRLGSFDBB-ZDUSSCGKSA-N 1 1 327.827 4.156 20 10 EICDMO COc1cc2c(cc1F)C[N@@H+](Cc1ccc3ccccc3c1O)CC2 ZINC000816560564 1048835115 /nfs/dbraw/zinc/83/51/15/1048835115.db2.gz SOXNJLBDIBXFKQ-UHFFFAOYSA-N 1 1 337.394 4.251 20 10 EICDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816570342 1048837344 /nfs/dbraw/zinc/83/73/44/1048837344.db2.gz QVIFFKOGQAYMJV-INIZCTEOSA-N 1 1 341.451 4.099 20 10 EICDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816571061 1048839132 /nfs/dbraw/zinc/83/91/32/1048839132.db2.gz QTFMNJRDUVMTEZ-JTQLQIEISA-N 1 1 339.842 4.295 20 10 EICDMO C[N@@H+](CCNCc1ccc(N2CCCCC2)cc1)C1CCCCC1 ZINC000921065695 1048841353 /nfs/dbraw/zinc/84/13/53/1048841353.db2.gz FVFIRRAALRHYMP-UHFFFAOYSA-N 1 1 329.532 4.031 20 10 EICDMO CN(CC[NH2+]Cc1ccc(N2CCCCC2)cc1)C1CCCCC1 ZINC000921065695 1048841355 /nfs/dbraw/zinc/84/13/55/1048841355.db2.gz FVFIRRAALRHYMP-UHFFFAOYSA-N 1 1 329.532 4.031 20 10 EICDMO CSc1cccc(F)c1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816608006 1048843689 /nfs/dbraw/zinc/84/36/89/1048843689.db2.gz MEDZVANJDVPAHW-UHFFFAOYSA-N 1 1 329.799 4.336 20 10 EICDMO Oc1c(Br)cccc1C[NH2+]Cc1cccc(C2CC2)c1 ZINC000817411013 1048962537 /nfs/dbraw/zinc/96/25/37/1048962537.db2.gz XTCJSHOFKSPTAM-UHFFFAOYSA-N 1 1 332.241 4.322 20 10 EICDMO OCC[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000817419819 1048966937 /nfs/dbraw/zinc/96/69/37/1048966937.db2.gz YOGNEULTVPXCQR-KRWDZBQOSA-N 1 1 325.452 4.044 20 10 EICDMO C[C@@H](NC[C@@H]([NH3+])c1ccccc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817955399 1049067692 /nfs/dbraw/zinc/06/76/92/1049067692.db2.gz XPGUEBPHUVNLTB-OXQOHEQNSA-N 1 1 341.474 4.167 20 10 EICDMO C[C@H]([NH2+][C@@H](CN)c1ccc2ccccc2c1)c1ccc(N(C)C)cc1 ZINC000817970664 1049072424 /nfs/dbraw/zinc/07/24/24/1049072424.db2.gz BRCXHIJMGVLIHG-AOMKIAJQSA-N 1 1 333.479 4.256 20 10 EICDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000811518411 1049102184 /nfs/dbraw/zinc/10/21/84/1049102184.db2.gz JPAHZSBVCAAWGC-NHCUHLMSSA-N 1 1 340.511 4.210 20 10 EICDMO CC[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCOC(C)(C)C1 ZINC000811511564 1049124033 /nfs/dbraw/zinc/12/40/33/1049124033.db2.gz NLXUSKBVIWFPAP-FQEVSTJZSA-N 1 1 330.516 4.456 20 10 EICDMO CC[N@@H+](Cc1ccc(Br)s1)Cc1ccccc1O ZINC001137647127 1049276228 /nfs/dbraw/zinc/27/62/28/1049276228.db2.gz FTUBHTXAGKTSQI-UHFFFAOYSA-N 1 1 326.259 4.238 20 10 EICDMO CCN(CC)c1ccc(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC001203180764 1049759575 /nfs/dbraw/zinc/75/95/75/1049759575.db2.gz BLNTXZHLKFOLLD-LJQANCHMSA-N 1 1 329.532 4.029 20 10 EICDMO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2)cc1 ZINC001203180764 1049759584 /nfs/dbraw/zinc/75/95/84/1049759584.db2.gz BLNTXZHLKFOLLD-LJQANCHMSA-N 1 1 329.532 4.029 20 10 EICDMO Oc1c(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)ccc2ccccc21 ZINC000822530267 1049767910 /nfs/dbraw/zinc/76/79/10/1049767910.db2.gz WAQDRHNIKIUFAN-NRFANRHFSA-N 1 1 337.463 4.327 20 10 EICDMO CCOC[C@H]1CC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000823477185 1049851058 /nfs/dbraw/zinc/85/10/58/1049851058.db2.gz MCULLQCBCTWUDM-SFHVURJKSA-N 1 1 344.524 4.243 20 10 EICDMO CCN(CC)c1ccc(C[NH2+]Cc2ccnc(Cl)c2F)cc1F ZINC000823841693 1049880528 /nfs/dbraw/zinc/88/05/28/1049880528.db2.gz IPCBDEDKOLRLIL-UHFFFAOYSA-N 1 1 339.817 4.149 20 10 EICDMO Cc1cc(CNc2ccc3c(c2)[nH+]cn3C)ccc1Br ZINC001178037496 1050372837 /nfs/dbraw/zinc/37/28/37/1050372837.db2.gz MXIFQVLFGQVMMO-UHFFFAOYSA-N 1 1 330.229 4.256 20 10 EICDMO Cc1cc(C)c(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)c(C)c1 ZINC001178317569 1050445738 /nfs/dbraw/zinc/44/57/38/1050445738.db2.gz LRLNUVWNTNZXKE-UHFFFAOYSA-N 1 1 341.474 4.115 20 10 EICDMO CCN(CC)c1ccc(CNc2[nH+]c3ccccc3n2C)cc1F ZINC001179442155 1050693920 /nfs/dbraw/zinc/69/39/20/1050693920.db2.gz AIOGCLMJXGZRLW-UHFFFAOYSA-N 1 1 326.419 4.171 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)c1nccn1C ZINC000182676584 1050789337 /nfs/dbraw/zinc/78/93/37/1050789337.db2.gz SFOYBWFIJUPUPB-MRXNPFEDSA-N 1 1 326.488 4.040 20 10 EICDMO COc1cc(C)cc(C[N@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)c1O ZINC001179878250 1050815223 /nfs/dbraw/zinc/81/52/23/1050815223.db2.gz NQAMFEXPNHZZAE-LPHOPBHVSA-N 1 1 325.452 4.335 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H]2CC(C)C)c1 ZINC001180129503 1050882414 /nfs/dbraw/zinc/88/24/14/1050882414.db2.gz UTOCAMRLEUDRDH-CQSZACIVSA-N 1 1 326.278 4.474 20 10 EICDMO COc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2c2ccc(C)o2)c(O)c1OC ZINC001179962788 1050849140 /nfs/dbraw/zinc/84/91/40/1050849140.db2.gz SJSRDQWUIDMKPD-BBRMVZONSA-N 1 1 345.439 4.284 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H]2CC(C)C)c1 ZINC001180129503 1050882408 /nfs/dbraw/zinc/88/24/08/1050882408.db2.gz UTOCAMRLEUDRDH-CQSZACIVSA-N 1 1 326.278 4.474 20 10 EICDMO CN(Cc1cccs1)c1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1 ZINC001180098022 1050885932 /nfs/dbraw/zinc/88/59/32/1050885932.db2.gz JEFIIDMERMVKJI-KDURUIRLSA-N 1 1 326.509 4.472 20 10 EICDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)c(F)cc2[O-])C12CCCCC2 ZINC001180098849 1050886679 /nfs/dbraw/zinc/88/66/79/1050886679.db2.gz PUNVREBDPLIWKT-MSOLQXFVSA-N 1 1 339.426 4.230 20 10 EICDMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2O)C12CCCCC2 ZINC001180098849 1050886685 /nfs/dbraw/zinc/88/66/85/1050886685.db2.gz PUNVREBDPLIWKT-MSOLQXFVSA-N 1 1 339.426 4.230 20 10 EICDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)c(F)cc2O)C12CCCCC2 ZINC001180098849 1050886694 /nfs/dbraw/zinc/88/66/94/1050886694.db2.gz PUNVREBDPLIWKT-MSOLQXFVSA-N 1 1 339.426 4.230 20 10 EICDMO CCC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC1CCCCC1 ZINC001180173391 1050895050 /nfs/dbraw/zinc/89/50/50/1050895050.db2.gz FPMYJDJGPPZEJD-UHFFFAOYSA-N 1 1 344.543 4.440 20 10 EICDMO COc1cc(C)cc(C[N@H+]2CCCC[C@H]2Cc2ccc(F)cc2)c1O ZINC001180183805 1050898024 /nfs/dbraw/zinc/89/80/24/1050898024.db2.gz HQKPEWKGRZUGJB-IBGZPJMESA-N 1 1 343.442 4.446 20 10 EICDMO C[N@H+](CCCOc1cccc(Cl)c1)Cc1cc(F)cc(F)c1O ZINC001180164877 1050910052 /nfs/dbraw/zinc/91/00/52/1050910052.db2.gz CWATUUULAWLJNQ-UHFFFAOYSA-N 1 1 341.785 4.225 20 10 EICDMO C[N@@H+](CCCOc1cccc(Cl)c1)Cc1cc(F)cc(F)c1O ZINC001180164877 1050910063 /nfs/dbraw/zinc/91/00/63/1050910063.db2.gz CWATUUULAWLJNQ-UHFFFAOYSA-N 1 1 341.785 4.225 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)c1 ZINC001180317979 1050948928 /nfs/dbraw/zinc/94/89/28/1050948928.db2.gz TYUXTSJGUOIBKW-CYBMUJFWSA-N 1 1 326.278 4.331 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](C(C)(C)C)C2)c1 ZINC001180317979 1050948939 /nfs/dbraw/zinc/94/89/39/1050948939.db2.gz TYUXTSJGUOIBKW-CYBMUJFWSA-N 1 1 326.278 4.331 20 10 EICDMO Cc1ccc([C@@H](C)C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC001180429502 1050985458 /nfs/dbraw/zinc/98/54/58/1050985458.db2.gz BOGQKDNCHNBDFC-GHTZIAJQSA-N 1 1 339.479 4.485 20 10 EICDMO COc1cccc([C@H]2CCC[N@H+]2Cc2cc(C)cc(OC)c2O)c1 ZINC001180513713 1051013376 /nfs/dbraw/zinc/01/33/76/1051013376.db2.gz KORUGHOLQJAZLN-GOSISDBHSA-N 1 1 327.424 4.055 20 10 EICDMO C[C@H]([NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C)c1ccccc1O ZINC000183563085 1051168520 /nfs/dbraw/zinc/16/85/20/1051168520.db2.gz LGPHDRHNUYFWMY-BZSNNMDCSA-N 1 1 338.495 4.199 20 10 EICDMO CN(C)c1ccc(C[N@@H+](CCCOCc2ccccc2)C2CC2)cc1 ZINC001190446864 1051187706 /nfs/dbraw/zinc/18/77/06/1051187706.db2.gz PTSQJEUVVYYZBH-UHFFFAOYSA-N 1 1 338.495 4.324 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c1O ZINC001191048685 1051346735 /nfs/dbraw/zinc/34/67/35/1051346735.db2.gz RCLXKVQMMOPAAD-AWEZNQCLSA-N 1 1 347.817 4.377 20 10 EICDMO COc1cc(CC[NH2+]Cc2ccc(Cl)cc2O)ccc1Cl ZINC001181970935 1051373084 /nfs/dbraw/zinc/37/30/84/1051373084.db2.gz FYKSIMDGIZFLCB-UHFFFAOYSA-N 1 1 326.223 4.040 20 10 EICDMO C[C@@H]([NH2+]CCCCn1ccnc1)c1cc(Cl)c(Cl)cc1O ZINC000774134473 1051478111 /nfs/dbraw/zinc/47/81/11/1051478111.db2.gz NGJRWOXPXDGPFF-LLVKDONJSA-N 1 1 328.243 4.027 20 10 EICDMO C[C@H]([NH2+]CCc1ccc(O)cc1)c1cc(Cl)c(Cl)cc1O ZINC000774145682 1051479735 /nfs/dbraw/zinc/47/97/35/1051479735.db2.gz AFFHMNYBJLEAJA-JTQLQIEISA-N 1 1 326.223 4.298 20 10 EICDMO CC[N@H+](Cc1cc(C)cc(Br)c1O)C1CC(C)(C)C1 ZINC001182325714 1051500237 /nfs/dbraw/zinc/50/02/37/1051500237.db2.gz CNBWRUDUWGNKAT-UHFFFAOYSA-N 1 1 326.278 4.474 20 10 EICDMO CC[N@@H+](Cc1cc(C)cc(Br)c1O)C1CC(C)(C)C1 ZINC001182325714 1051500253 /nfs/dbraw/zinc/50/02/53/1051500253.db2.gz CNBWRUDUWGNKAT-UHFFFAOYSA-N 1 1 326.278 4.474 20 10 EICDMO C[C@H]([NH2+]CCCNc1ccccn1)c1cc(Cl)c(Cl)cc1O ZINC000774217223 1051515332 /nfs/dbraw/zinc/51/53/32/1051515332.db2.gz LDOREBFYANTDPA-NSHDSACASA-N 1 1 340.254 4.247 20 10 EICDMO C[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1cc(Cl)c(Cl)cc1O ZINC000774245983 1051520126 /nfs/dbraw/zinc/52/01/26/1051520126.db2.gz WSKSMWYGTBAVCB-RFAUZJTJSA-N 1 1 344.213 4.222 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)c(Cl)c1[O-] ZINC000775489110 1051566851 /nfs/dbraw/zinc/56/68/51/1051566851.db2.gz SIXMRJQQZIKBBV-RRFJBIMHSA-N 1 1 343.298 4.367 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(Cl)c(Cl)c1[O-] ZINC000775489110 1051566863 /nfs/dbraw/zinc/56/68/63/1051566863.db2.gz SIXMRJQQZIKBBV-RRFJBIMHSA-N 1 1 343.298 4.367 20 10 EICDMO CC[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cc(Cl)ccc1[O-] ZINC000775488403 1051577472 /nfs/dbraw/zinc/57/74/72/1051577472.db2.gz SQWNWOPDYYEKLN-SFHVURJKSA-N 1 1 332.875 4.348 20 10 EICDMO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1nc(-c2ccccc2)no1 ZINC000774482532 1051612019 /nfs/dbraw/zinc/61/20/19/1051612019.db2.gz GUTGHBKAPYSBEU-GJZGRUSLSA-N 1 1 336.439 4.214 20 10 EICDMO Cc1nc([C@H]2CCC[N@H+]2Cc2c(O)ccc3ccncc32)cs1 ZINC000774589507 1051792470 /nfs/dbraw/zinc/79/24/70/1051792470.db2.gz QHYQTOQOBOYBJR-QGZVFWFLSA-N 1 1 325.437 4.042 20 10 EICDMO Cc1cc(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)ccc1N(C)C ZINC001176021405 1051878016 /nfs/dbraw/zinc/87/80/16/1051878016.db2.gz PFLLKYUUNMUVCQ-MRXNPFEDSA-N 1 1 330.422 4.329 20 10 EICDMO Oc1c(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)ccc2ccccc21 ZINC001183886711 1051914091 /nfs/dbraw/zinc/91/40/91/1051914091.db2.gz UQDYPLYJOPXEAF-HNNXBMFYSA-N 1 1 338.476 4.457 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCc3c2cccc3F)c1O ZINC001176243908 1051973255 /nfs/dbraw/zinc/97/32/55/1051973255.db2.gz SDNRBNGUHYHSRF-QGZVFWFLSA-N 1 1 333.790 4.164 20 10 EICDMO C[C@@H]([NH2+]C[C@H](O)c1ccc2ccccc2c1)c1ccc(F)cc1O ZINC000185406680 1052595743 /nfs/dbraw/zinc/59/57/43/1052595743.db2.gz VJLIGHQFSDLCSF-XCLFUZPHSA-N 1 1 325.383 4.069 20 10 EICDMO C[C@@H]([NH2+]C[C@H](O)c1cc2ccccc2s1)c1ccc(F)cc1O ZINC000185720700 1052685215 /nfs/dbraw/zinc/68/52/15/1052685215.db2.gz GFCLKIXKVPINPX-BZNIZROVSA-N 1 1 331.412 4.130 20 10 EICDMO CC[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000764140152 1053034368 /nfs/dbraw/zinc/03/43/68/1053034368.db2.gz AIRIAQYWVPNITH-OAQYLSRUSA-N 1 1 342.458 4.245 20 10 EICDMO CCC[N@H+](Cc1ccccc1O)C[C@H](O)c1ccc(F)cc1Cl ZINC000775610309 1053090488 /nfs/dbraw/zinc/09/04/88/1053090488.db2.gz NPMYDRPZODHJIV-SFHVURJKSA-N 1 1 337.822 4.130 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)cc1 ZINC001194884075 1053144142 /nfs/dbraw/zinc/14/41/42/1053144142.db2.gz XFYBJOVWMXREGU-RTWAWAEBSA-N 1 1 338.495 4.431 20 10 EICDMO C[C@H](NCCC[NH+]1CCCC1)c1ccc(N2CCCCCC2)cc1 ZINC000764667090 1053259647 /nfs/dbraw/zinc/25/96/47/1053259647.db2.gz OWWKPIAKFXXLEO-IBGZPJMESA-N 1 1 329.532 4.204 20 10 EICDMO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1O ZINC000850555538 1053313041 /nfs/dbraw/zinc/31/30/41/1053313041.db2.gz HRVRXPKFYRTNOJ-XXFAHNHDSA-N 1 1 344.213 4.222 20 10 EICDMO CC[C@@H]([NH2+][C@H](c1nccn1C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000764809143 1053322073 /nfs/dbraw/zinc/32/20/73/1053322073.db2.gz ICRWARHISJJFAD-RTWAWAEBSA-N 1 1 348.494 4.316 20 10 EICDMO C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N2CCCCCC2)cc1 ZINC000764967898 1053403118 /nfs/dbraw/zinc/40/31/18/1053403118.db2.gz YXCRQTJVCARWFX-NYVOZVTQSA-N 1 1 341.543 4.344 20 10 EICDMO C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccc(N2CCCCCC2)cc1 ZINC000764967898 1053403128 /nfs/dbraw/zinc/40/31/28/1053403128.db2.gz YXCRQTJVCARWFX-NYVOZVTQSA-N 1 1 341.543 4.344 20 10 EICDMO CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001195423027 1053412110 /nfs/dbraw/zinc/41/21/10/1053412110.db2.gz BTGBCVRMOVOBTP-TZIWHRDSSA-N 1 1 342.527 4.171 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1cccc2cccnc21)C[C@H]1CCCO1 ZINC000109761568 1053420746 /nfs/dbraw/zinc/42/07/46/1053420746.db2.gz OPZIITWXJBFKSE-HXUWFJFHSA-N 1 1 348.446 4.122 20 10 EICDMO C[N@H+](Cc1ccccc1O)[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000109771332 1053422211 /nfs/dbraw/zinc/42/22/11/1053422211.db2.gz LWOYRFRQVAZEDH-NRFANRHFSA-N 1 1 346.430 4.204 20 10 EICDMO C[N@@H+](Cc1ccccc1O)[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000109771332 1053422216 /nfs/dbraw/zinc/42/22/16/1053422216.db2.gz LWOYRFRQVAZEDH-NRFANRHFSA-N 1 1 346.430 4.204 20 10 EICDMO COCCC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000794824125 1053438502 /nfs/dbraw/zinc/43/85/02/1053438502.db2.gz IFOTZQIDEKMJHY-CRAIPNDOSA-N 1 1 331.431 4.220 20 10 EICDMO Cc1cccc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c1O ZINC000775665913 1053440893 /nfs/dbraw/zinc/44/08/93/1053440893.db2.gz NKYPFFMWLPFECP-LJQANCHMSA-N 1 1 329.415 4.021 20 10 EICDMO CCOc1cccc(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c1O ZINC000120532667 1053492844 /nfs/dbraw/zinc/49/28/44/1053492844.db2.gz BWXGIKVELSAQNT-MRXNPFEDSA-N 1 1 347.480 4.034 20 10 EICDMO Cc1cc(Br)cc(C[N@H+]2CC[C@@H](c3ccco3)C2)c1O ZINC000775693211 1053612141 /nfs/dbraw/zinc/61/21/41/1053612141.db2.gz WGAVLANLGWKUFY-GFCCVEGCSA-N 1 1 336.229 4.046 20 10 EICDMO C[C@H]([NH2+][C@@H]1CCc2ccccc2-n2ccnc21)c1ccc(F)cc1O ZINC000853240831 1053657775 /nfs/dbraw/zinc/65/77/75/1053657775.db2.gz ILWWYGZRUKLSFB-SUMWQHHRSA-N 1 1 337.398 4.055 20 10 EICDMO C[N@H+](Cc1csc(-c2ccc(F)cc2)n1)Cc1ccccc1O ZINC000111235326 1053667181 /nfs/dbraw/zinc/66/71/81/1053667181.db2.gz YTFBLRPXFJXRPU-UHFFFAOYSA-N 1 1 328.412 4.287 20 10 EICDMO C[N@@H+](Cc1csc(-c2ccc(F)cc2)n1)Cc1ccccc1O ZINC000111235326 1053667187 /nfs/dbraw/zinc/66/71/87/1053667187.db2.gz YTFBLRPXFJXRPU-UHFFFAOYSA-N 1 1 328.412 4.287 20 10 EICDMO CC[C@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1ccc(C)cc1O ZINC000842922767 1053684475 /nfs/dbraw/zinc/68/44/75/1053684475.db2.gz DALZXBUCDOKJBM-GIVPXCGWSA-N 1 1 338.495 4.087 20 10 EICDMO CC[N@@H+](Cc1cccc(C)c1O)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000775727507 1053697198 /nfs/dbraw/zinc/69/71/98/1053697198.db2.gz DZWQOPSOLIXWCU-HXUWFJFHSA-N 1 1 338.495 4.045 20 10 EICDMO CC[N@H+](Cc1cccc(C)c1O)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000775727507 1053697207 /nfs/dbraw/zinc/69/72/07/1053697207.db2.gz DZWQOPSOLIXWCU-HXUWFJFHSA-N 1 1 338.495 4.045 20 10 EICDMO COc1ccc(O)c(C[N@H+]2CCCC[C@H]2c2nc3ccccc3o2)c1 ZINC000775727776 1053709394 /nfs/dbraw/zinc/70/93/94/1053709394.db2.gz KOLOICNERLELDA-KRWDZBQOSA-N 1 1 338.407 4.269 20 10 EICDMO C[C@H]([NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)c1ccc(F)cc1O ZINC000866408814 1053718098 /nfs/dbraw/zinc/71/80/98/1053718098.db2.gz FEILDDUHNWAGPD-MGPLVRAMSA-N 1 1 341.785 4.098 20 10 EICDMO CCC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(F)cc(C(C)=O)c1O ZINC001196907680 1053806493 /nfs/dbraw/zinc/80/64/93/1053806493.db2.gz MNSWLFQZSZRWHX-UHFFFAOYSA-N 1 1 345.414 4.155 20 10 EICDMO Cc1cc(Br)cc(C[N@H+](C)[C@H]2CCCC[C@@H]2C)c1O ZINC000160962210 1054323829 /nfs/dbraw/zinc/32/38/29/1054323829.db2.gz VVSQRKRRCHLKEA-NHYWBVRUSA-N 1 1 326.278 4.474 20 10 EICDMO CC(C)c1ncc2c(n1)CC[N@H+](Cc1ccc3ccccc3c1O)C2 ZINC000857878208 1054378069 /nfs/dbraw/zinc/37/80/69/1054378069.db2.gz UTYAYTKLNVWTHM-UHFFFAOYSA-N 1 1 333.435 4.017 20 10 EICDMO COC(=O)/C(C)=C\C[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000776012070 1054445820 /nfs/dbraw/zinc/44/58/20/1054445820.db2.gz XUPRCAOSUFBHGT-NOCRFKNCSA-N 1 1 339.435 4.075 20 10 EICDMO COc1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2O)c(OC)c1 ZINC000858501371 1054504605 /nfs/dbraw/zinc/50/46/05/1054504605.db2.gz LYDIIMRRYZJUSP-WDEREUQCSA-N 1 1 337.366 4.099 20 10 EICDMO C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc2ccccc2c1[O-] ZINC000873235813 1054512786 /nfs/dbraw/zinc/51/27/86/1054512786.db2.gz RFQXVIPXZSVVQC-OAHLLOKOSA-N 1 1 332.447 4.042 20 10 EICDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3ccc(Cl)cc32)c1 ZINC000858582241 1054528570 /nfs/dbraw/zinc/52/85/70/1054528570.db2.gz OKUXPCQYZLTVCD-GTNSWQLSSA-N 1 1 345.826 4.170 20 10 EICDMO Cc1ccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c(O)c1 ZINC000876752596 1054956752 /nfs/dbraw/zinc/95/67/52/1054956752.db2.gz UFQQIEBBXQKHMG-UHFFFAOYSA-N 1 1 327.268 4.017 20 10 EICDMO C[C@@H](NCc1ccc(N2CCCC2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001201946484 1054962066 /nfs/dbraw/zinc/96/20/66/1054962066.db2.gz FESZYIKSGKQCQJ-QUCCMNQESA-N 1 1 341.543 4.029 20 10 EICDMO C[C@@H](NCc1ccc(N2CCCC2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001201946484 1054962076 /nfs/dbraw/zinc/96/20/76/1054962076.db2.gz FESZYIKSGKQCQJ-QUCCMNQESA-N 1 1 341.543 4.029 20 10 EICDMO Cc1cnn(-c2cc[nH+]cc2NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000776253211 1055061371 /nfs/dbraw/zinc/06/13/71/1055061371.db2.gz TXFQNLHPOJYVSE-UHFFFAOYSA-N 1 1 349.221 4.200 20 10 EICDMO COc1ccc(O)c(C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)c1 ZINC000776249069 1055076741 /nfs/dbraw/zinc/07/67/41/1055076741.db2.gz SBTTWDAVSJBNGY-UHFFFAOYSA-N 1 1 338.234 4.487 20 10 EICDMO Oc1c(F)cc(F)cc1C[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC001202258887 1055102485 /nfs/dbraw/zinc/10/24/85/1055102485.db2.gz JYVFGBUCWDTCDG-UHFFFAOYSA-N 1 1 333.309 4.359 20 10 EICDMO c1coc(-c2nc(C[NH2+]Cc3ccc4c(c3)CCCO4)cs2)c1 ZINC000921854768 1056763097 /nfs/dbraw/zinc/76/30/97/1056763097.db2.gz PSJVHRFSWBAQDF-UHFFFAOYSA-N 1 1 326.421 4.018 20 10 EICDMO CCN(C)c1ccc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000741753109 1058361329 /nfs/dbraw/zinc/36/13/29/1058361329.db2.gz NLJKLGIBYJMCQJ-QFIPXVFZSA-N 1 1 331.463 4.417 20 10 EICDMO CCN(CC)[C@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000743395462 1058972794 /nfs/dbraw/zinc/97/27/94/1058972794.db2.gz SFARAKQLKAYTOB-INIZCTEOSA-N 1 1 338.451 4.208 20 10 EICDMO CCN(CC)[C@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000743395462 1058972824 /nfs/dbraw/zinc/97/28/24/1058972824.db2.gz SFARAKQLKAYTOB-INIZCTEOSA-N 1 1 338.451 4.208 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)N(CC)C1CCCCC1 ZINC000743869808 1059187839 /nfs/dbraw/zinc/18/78/39/1059187839.db2.gz AUBIASUQPSJPGK-KRWDZBQOSA-N 1 1 346.515 4.174 20 10 EICDMO CC[N@@H+](Cc1ccccc1F)Cc1cc(Br)ccc1O ZINC000743870793 1059190932 /nfs/dbraw/zinc/19/09/32/1059190932.db2.gz BHERMFWLBXWIJY-UHFFFAOYSA-N 1 1 338.220 4.316 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)N(CC)c1ccccc1 ZINC000743870392 1059193521 /nfs/dbraw/zinc/19/35/21/1059193521.db2.gz QCTJUMHXEGYGIU-KRWDZBQOSA-N 1 1 340.467 4.046 20 10 EICDMO Cc1cc(O)c(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1C(C)C ZINC000744440592 1059513214 /nfs/dbraw/zinc/51/32/14/1059513214.db2.gz PXAPGSLERMVDTD-MOPGFXCFSA-N 1 1 330.516 4.271 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(C)C)cc1C(C)C ZINC000744440592 1059513247 /nfs/dbraw/zinc/51/32/47/1059513247.db2.gz PXAPGSLERMVDTD-MOPGFXCFSA-N 1 1 330.516 4.271 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(C)C)cc1C(C)C ZINC000744440592 1059513282 /nfs/dbraw/zinc/51/32/82/1059513282.db2.gz PXAPGSLERMVDTD-MOPGFXCFSA-N 1 1 330.516 4.271 20 10 EICDMO C[N@H+](Cc1ccc(Cl)cc1Cl)Cc1cc2c(cc1O)OCO2 ZINC000016355488 211898402 /nfs/dbraw/zinc/89/84/02/211898402.db2.gz SHAFMZOERINUPF-UHFFFAOYSA-N 1 1 340.206 4.060 20 10 EICDMO C[N@@H+](Cc1ccc(Cl)cc1Cl)Cc1cc2c(cc1O)OCO2 ZINC000016355488 211898407 /nfs/dbraw/zinc/89/84/07/211898407.db2.gz SHAFMZOERINUPF-UHFFFAOYSA-N 1 1 340.206 4.060 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1ccc2cc[nH]c2c1)C[C@@H]1CCCO1 ZINC000529516338 1032414458 /nfs/dbraw/zinc/41/44/58/1032414458.db2.gz IRQVCEVDBZBSRZ-IBGZPJMESA-N 1 1 336.435 4.055 20 10 EICDMO C[C@@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1ccc(Cl)cc1O ZINC000841757673 1032516344 /nfs/dbraw/zinc/51/63/44/1032516344.db2.gz OQXHFTYXMUYHJM-YPMHNXCESA-N 1 1 340.250 4.126 20 10 EICDMO Cc1cc(CN2CCC[N@H+](C(C)(C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000748081669 1019643706 /nfs/dbraw/zinc/64/37/06/1019643706.db2.gz BWQGHCAGWALOGV-UHFFFAOYSA-N 1 1 332.532 4.304 20 10 EICDMO Cc1cc(C[N@@H+]2CCCN(C(C)(C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000748081669 1019643711 /nfs/dbraw/zinc/64/37/11/1019643711.db2.gz BWQGHCAGWALOGV-UHFFFAOYSA-N 1 1 332.532 4.304 20 10 EICDMO Cc1cc(C[N@H+]2CCCN(C(C)(C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000748081669 1019643718 /nfs/dbraw/zinc/64/37/18/1019643718.db2.gz BWQGHCAGWALOGV-UHFFFAOYSA-N 1 1 332.532 4.304 20 10 EICDMO [O-]c1cccc(Cl)c1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397511996 1020890684 /nfs/dbraw/zinc/89/06/84/1020890684.db2.gz ORWMQEKWCWQHIN-UHFFFAOYSA-N 1 1 344.886 4.047 20 10 EICDMO Cc1cc(C[N@H+](C)Cc2ccccc2O)cc(OC(F)(F)F)c1 ZINC001143468925 1022384149 /nfs/dbraw/zinc/38/41/49/1022384149.db2.gz NNWBEDOPRQQOEL-UHFFFAOYSA-N 1 1 325.330 4.231 20 10 EICDMO CCOc1cccc(C[NH+](Cc2ccco2)Cc2ccco2)c1O ZINC000162563773 1023503542 /nfs/dbraw/zinc/50/35/42/1023503542.db2.gz DDHSNTPHZRLMDT-UHFFFAOYSA-N 1 1 327.380 4.179 20 10 EICDMO CC[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccc(F)cc1O ZINC000796666742 1024021598 /nfs/dbraw/zinc/02/15/98/1024021598.db2.gz QOLRTVYCDLVILI-SJORKVTESA-N 1 1 332.419 4.002 20 10 EICDMO C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1cc(Cl)c(Cl)cc1O ZINC000278844207 1024058481 /nfs/dbraw/zinc/05/84/81/1024058481.db2.gz VAPMBMMVDUDWOJ-PSLIRLAXSA-N 1 1 344.213 4.222 20 10 EICDMO C[C@@H]([NH2+]Cc1nccn1CCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000164263426 1024072228 /nfs/dbraw/zinc/07/22/28/1024072228.db2.gz BIXYNWANOKQHJN-GOSISDBHSA-N 1 1 348.494 4.043 20 10 EICDMO Cc1cc(O)c(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)cc1C(C)C ZINC000176118559 1024425669 /nfs/dbraw/zinc/42/56/69/1024425669.db2.gz ODXMLCFOYLLHOS-DEOSSOPVSA-N 1 1 345.508 4.193 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000128524644 1025000918 /nfs/dbraw/zinc/00/09/18/1025000918.db2.gz OLFFKGKBFQRUIQ-QGZVFWFLSA-N 1 1 335.451 4.273 20 10 EICDMO CC[C@@H](N[C@@H](c1n[nH]c(C)n1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000162555262 1025153456 /nfs/dbraw/zinc/15/34/56/1025153456.db2.gz UPOOMXAJBVAZPG-WOJBJXKFSA-N 1 1 349.482 4.009 20 10 EICDMO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000277170811 1025213179 /nfs/dbraw/zinc/21/31/79/1025213179.db2.gz HUEYUOLMJMBICV-HZPDHXFCSA-N 1 1 341.503 4.159 20 10 EICDMO CC[C@@H]([NH2+][C@@H](C)c1nnc([C@@H](C)CC)[nH]1)c1ccc(N(C)C)cc1 ZINC000277358375 1025801666 /nfs/dbraw/zinc/80/16/66/1025801666.db2.gz WFKGMQPGKQODRC-GRDNDAEWSA-N 1 1 329.492 4.186 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1cccc(F)c1Cl)C[C@@H]1CCCO1 ZINC001167982935 1026419437 /nfs/dbraw/zinc/41/94/37/1026419437.db2.gz HMMDTUURTUUZDJ-INIZCTEOSA-N 1 1 349.833 4.366 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1cccc(F)c1Cl)C[C@@H]1CCCO1 ZINC001167982935 1026419448 /nfs/dbraw/zinc/41/94/48/1026419448.db2.gz HMMDTUURTUUZDJ-INIZCTEOSA-N 1 1 349.833 4.366 20 10 EICDMO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cc(C)c(C)cc2O)c(C)c1 ZINC000119936199 1027415568 /nfs/dbraw/zinc/41/55/68/1027415568.db2.gz HKHZAZZZWIINJQ-UHFFFAOYSA-N 1 1 340.467 4.005 20 10 EICDMO Oc1c(F)cc(F)cc1C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000894993555 1027686683 /nfs/dbraw/zinc/68/66/83/1027686683.db2.gz JYLJLTUUYMLEPS-IBGZPJMESA-N 1 1 345.389 4.024 20 10 EICDMO Oc1c(F)cc(F)cc1C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000894993555 1027686688 /nfs/dbraw/zinc/68/66/88/1027686688.db2.gz JYLJLTUUYMLEPS-IBGZPJMESA-N 1 1 345.389 4.024 20 10 EICDMO CN(c1ccc(C[NH2+]Cc2ncc(Cl)n2C)cc1)C1CCCCC1 ZINC000281665532 1028828082 /nfs/dbraw/zinc/82/80/82/1028828082.db2.gz LDZRIMHQYRXACD-UHFFFAOYSA-N 1 1 346.906 4.132 20 10 EICDMO C[N@@H+](Cc1c(O)ccc2ccncc21)Cc1c(F)cccc1Cl ZINC000021965318 1029027298 /nfs/dbraw/zinc/02/72/98/1029027298.db2.gz ZHXXJNGMGSUGNE-UHFFFAOYSA-N 1 1 330.790 4.365 20 10 EICDMO C[N@H+](Cc1c(O)ccc2ccncc21)Cc1c(F)cccc1Cl ZINC000021965318 1029027314 /nfs/dbraw/zinc/02/73/14/1029027314.db2.gz ZHXXJNGMGSUGNE-UHFFFAOYSA-N 1 1 330.790 4.365 20 10 EICDMO CCOc1cccc(C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)c1O ZINC000278691103 1029694098 /nfs/dbraw/zinc/69/40/98/1029694098.db2.gz ITUYBQIWBDKAOI-VIFPVBQESA-N 1 1 346.374 4.117 20 10 EICDMO COc1ccccc1[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccccn1 ZINC000183631855 1030027976 /nfs/dbraw/zinc/02/79/76/1030027976.db2.gz GYFLZCDTLCKBHX-BTYIYWSLSA-N 1 1 334.419 4.236 20 10 EICDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)[C@H](C)C1 ZINC001167686134 1030999344 /nfs/dbraw/zinc/99/93/44/1030999344.db2.gz NUIJLGBUICNMJA-CTNGQTDRSA-N 1 1 343.559 4.147 20 10 EICDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)[C@H](C)C1 ZINC001167686134 1030999357 /nfs/dbraw/zinc/99/93/57/1030999357.db2.gz NUIJLGBUICNMJA-CTNGQTDRSA-N 1 1 343.559 4.147 20 10 EICDMO C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1O)C[C@@H]1CCO[C@H]1C ZINC001168243461 1031426373 /nfs/dbraw/zinc/42/63/73/1031426373.db2.gz DZVUYNSMNUHCGL-LNLFQRSKSA-N 1 1 325.452 4.380 20 10 EICDMO Oc1c(Br)cccc1C[NH2+][C@H](c1cccs1)C1CC1 ZINC000725844470 1031629685 /nfs/dbraw/zinc/62/96/85/1031629685.db2.gz YUTHKRBONWLZNB-AWEZNQCLSA-N 1 1 338.270 4.457 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)c1O ZINC000761193422 1036006067 /nfs/dbraw/zinc/00/60/67/1036006067.db2.gz BLDGATHFOQCRMZ-SFHVURJKSA-N 1 1 347.842 4.018 20 10 EICDMO COc1ccc([C@H]2CC[N@@H+](Cc3cc(Cl)cc(OC)c3O)C2)cc1 ZINC000761196029 1036022227 /nfs/dbraw/zinc/02/22/27/1036022227.db2.gz SMPPGWBWPNPEEC-AWEZNQCLSA-N 1 1 347.842 4.052 20 10 EICDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc(C(C)(C)C)cc(O)c2O)n1 ZINC000164874119 1036426614 /nfs/dbraw/zinc/42/66/14/1036426614.db2.gz MJGPESYAAKJZOS-SFHVURJKSA-N 1 1 340.467 4.436 20 10 EICDMO C[C@H]([NH2+]Cc1c(F)cccc1OC(F)F)c1ccc(F)cc1O ZINC000273351753 1037425606 /nfs/dbraw/zinc/42/56/06/1037425606.db2.gz BVTCCMQJUQASFB-VIFPVBQESA-N 1 1 329.293 4.123 20 10 EICDMO C[C@@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)c1cc(Cl)ccc1O ZINC000757656492 1039880177 /nfs/dbraw/zinc/88/01/77/1039880177.db2.gz JRZHCNNFDAHBJA-AMIZOPFISA-N 1 1 325.742 4.108 20 10 EICDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccccc1O ZINC000761504918 1042874101 /nfs/dbraw/zinc/87/41/01/1042874101.db2.gz APOPQDGELQYEBY-UHFFFAOYSA-N 1 1 334.803 4.366 20 10 EICDMO CCC[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@@H]1CCCCO1 ZINC000730256240 1043485891 /nfs/dbraw/zinc/48/58/91/1043485891.db2.gz ZELQFSPOKJHUPU-KRWDZBQOSA-N 1 1 335.488 4.176 20 10 EICDMO CC[C@@H]1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C[C@H](C)O1 ZINC000732184033 1043882280 /nfs/dbraw/zinc/88/22/80/1043882280.db2.gz DLXOFCQFJJDIPX-UONOGXRCSA-N 1 1 329.440 4.017 20 10 EICDMO Cc1cc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(C)s1 ZINC000732202641 1043887866 /nfs/dbraw/zinc/88/78/66/1043887866.db2.gz AFQIRIXNBBVGQM-SFHVURJKSA-N 1 1 331.481 4.252 20 10 EICDMO COC(=O)c1cc(C[N@@H+](Cc2ccccc2O)C2CCCC2)oc1C ZINC000732204278 1043887946 /nfs/dbraw/zinc/88/79/46/1043887946.db2.gz HOWFVJJPXHSWTH-UHFFFAOYSA-N 1 1 343.423 4.025 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H]2OCCc3ccccc32)cc1 ZINC000734639493 1044627145 /nfs/dbraw/zinc/62/71/45/1044627145.db2.gz NOZVAWAHSQDPAF-JOCHJYFZSA-N 1 1 338.495 4.279 20 10 EICDMO O=C(c1ccc(Cl)cc1)C1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137837920 1044656357 /nfs/dbraw/zinc/65/63/57/1044656357.db2.gz ZGEDBBWYEHLFBO-UHFFFAOYSA-N 1 1 347.817 4.280 20 10 EICDMO CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(F)cc1O)CCO2 ZINC000186699479 1045138004 /nfs/dbraw/zinc/13/80/04/1045138004.db2.gz FVRKTMFRACKSFH-SJKOYZFVSA-N 1 1 331.387 4.104 20 10 EICDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001168490068 1045228518 /nfs/dbraw/zinc/22/85/18/1045228518.db2.gz HEROVMOWTVRXSW-KRWDZBQOSA-N 1 1 326.459 4.489 20 10 EICDMO COc1cccc(C[N@@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)c1 ZINC000915805716 1045469790 /nfs/dbraw/zinc/46/97/90/1045469790.db2.gz WZTADQZDSZEANE-UHFFFAOYSA-N 1 1 329.440 4.036 20 10 EICDMO COc1ccc2[nH]cc(CC[NH2+]Cc3c(O)ccc(Cl)c3F)c2c1 ZINC000790958638 1045636768 /nfs/dbraw/zinc/63/67/68/1045636768.db2.gz IXDRNUGSKHMYKQ-UHFFFAOYSA-N 1 1 348.805 4.007 20 10 EICDMO CC[N@@H+](Cc1c(Cl)nc2ccccn21)Cc1ccc(N(C)C)cc1 ZINC000768132775 1045723209 /nfs/dbraw/zinc/72/32/09/1045723209.db2.gz LCGBIHDDDSDGMT-UHFFFAOYSA-N 1 1 342.874 4.076 20 10 EICDMO CC[N@H+](Cc1c(Cl)nc2ccccn21)Cc1ccc(N(C)C)cc1 ZINC000768132775 1045723197 /nfs/dbraw/zinc/72/31/97/1045723197.db2.gz LCGBIHDDDSDGMT-UHFFFAOYSA-N 1 1 342.874 4.076 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1nccc2ccccc21)C[C@H]1CCCO1 ZINC000768161575 1045730065 /nfs/dbraw/zinc/73/00/65/1045730065.db2.gz HEKITJQOXPPKIR-LJQANCHMSA-N 1 1 348.446 4.122 20 10 EICDMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2c(O)cccc2OC)cc1 ZINC000768199113 1045738733 /nfs/dbraw/zinc/73/87/33/1045738733.db2.gz AMGWDHKBURHQSF-SFHVURJKSA-N 1 1 327.424 4.137 20 10 EICDMO COc1ccc(C[N@@H+](Cc2cccc(OC)c2O)[C@@H](C)C2CC2)cc1 ZINC000768200630 1045738803 /nfs/dbraw/zinc/73/88/03/1045738803.db2.gz PJZWQXADQBQWQU-HNNXBMFYSA-N 1 1 341.451 4.210 20 10 EICDMO CCOc1ccc(C[N@H+]2CCSC[C@@H]2c2ccccc2)c(O)c1 ZINC000768249653 1045762297 /nfs/dbraw/zinc/76/22/97/1045762297.db2.gz YEBHHZYKYMWAGL-GOSISDBHSA-N 1 1 329.465 4.081 20 10 EICDMO CCOc1cccc(C[N@@H+](CC)[C@@H](C)Cc2ccc(OC)cc2)c1O ZINC000768249287 1045762461 /nfs/dbraw/zinc/76/24/61/1045762461.db2.gz QJWDPNLUGDSZLG-INIZCTEOSA-N 1 1 343.467 4.253 20 10 EICDMO Oc1cccc(Cl)c1C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000768235074 1045764486 /nfs/dbraw/zinc/76/44/86/1045764486.db2.gz WRMDUDUXYLGGFV-UHFFFAOYSA-N 1 1 339.826 4.211 20 10 EICDMO Cc1ccc([C@H](C)[N@@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000768263435 1045772940 /nfs/dbraw/zinc/77/29/40/1045772940.db2.gz PKKPIIXXSZCCCC-KRWDZBQOSA-N 1 1 342.458 4.164 20 10 EICDMO CCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c(O)c1 ZINC000768372676 1045800803 /nfs/dbraw/zinc/80/08/03/1045800803.db2.gz CAFDFWDORWBBGR-LJQANCHMSA-N 1 1 347.842 4.018 20 10 EICDMO CCOc1ccc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c(O)c1 ZINC000768372676 1045800805 /nfs/dbraw/zinc/80/08/05/1045800805.db2.gz CAFDFWDORWBBGR-LJQANCHMSA-N 1 1 347.842 4.018 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2c2cccc(C)c2C)cc1OC ZINC000768447012 1045809147 /nfs/dbraw/zinc/80/91/47/1045809147.db2.gz QHEWDCQNGNUPDE-GOSISDBHSA-N 1 1 341.451 4.363 20 10 EICDMO COc1cc(O)c(C[N@H+]2C[C@H](C)C[C@H]2c2ccccc2F)cc1OC ZINC000768464832 1045810652 /nfs/dbraw/zinc/81/06/52/1045810652.db2.gz BCLSYIHIOJFAIW-DYVFJYSZSA-N 1 1 345.414 4.132 20 10 EICDMO COCC[C@H]1CCCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000768539798 1045818378 /nfs/dbraw/zinc/81/83/78/1045818378.db2.gz BYXXGQHLSRHMKM-LJQANCHMSA-N 1 1 330.516 4.316 20 10 EICDMO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000768824715 1045847366 /nfs/dbraw/zinc/84/73/66/1045847366.db2.gz GPRLLTMDATXYBP-LJQANCHMSA-N 1 1 342.508 4.094 20 10 EICDMO COc1cccc(C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1O ZINC000769212749 1045896430 /nfs/dbraw/zinc/89/64/30/1045896430.db2.gz RJZSRGOSDUUKMV-WIYYLYMNSA-N 1 1 341.451 4.001 20 10 EICDMO Oc1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000769245416 1045899952 /nfs/dbraw/zinc/89/99/52/1045899952.db2.gz RJICKKCUSYESAJ-IEBWSBKVSA-N 1 1 331.843 4.134 20 10 EICDMO C[N@@H+](Cc1cc(Cl)ccc1O)C1CCN(Cc2ccccc2)CC1 ZINC000769329895 1045924524 /nfs/dbraw/zinc/92/45/24/1045924524.db2.gz WDWJMJXCNNVVPL-UHFFFAOYSA-N 1 1 344.886 4.142 20 10 EICDMO CCOc1cccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)c1O ZINC000769383617 1045942801 /nfs/dbraw/zinc/94/28/01/1045942801.db2.gz FFVCCCCZBQSZHG-UHFFFAOYSA-N 1 1 341.451 4.441 20 10 EICDMO CCOc1ccc(C[N@@H+](C)[C@@H](C)c2sc(CC)nc2C)c(O)c1 ZINC000769470358 1045987198 /nfs/dbraw/zinc/98/71/98/1045987198.db2.gz LOAFLMSBPBNNRI-ZDUSSCGKSA-N 1 1 334.485 4.311 20 10 EICDMO C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@@H](c2ccc(F)cc2)O1 ZINC000769474851 1045991243 /nfs/dbraw/zinc/99/12/43/1045991243.db2.gz SKZKNWJFLGBSMJ-SGTLLEGYSA-N 1 1 335.806 4.147 20 10 EICDMO C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@@H](c2ccc(F)cc2)O1 ZINC000769474851 1045991258 /nfs/dbraw/zinc/99/12/58/1045991258.db2.gz SKZKNWJFLGBSMJ-SGTLLEGYSA-N 1 1 335.806 4.147 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)c1 ZINC000769474907 1045991439 /nfs/dbraw/zinc/99/14/39/1045991439.db2.gz SZAPBCADSGPMPO-IERDGZPVSA-N 1 1 341.451 4.061 20 10 EICDMO CCOc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)c2ccccc2)c(O)c1 ZINC000769493297 1045995238 /nfs/dbraw/zinc/99/52/38/1045995238.db2.gz SMNDVCJAVUOGJX-GOSISDBHSA-N 1 1 339.435 4.028 20 10 EICDMO CC(C)c1cc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)on1 ZINC000792976269 1046115479 /nfs/dbraw/zinc/11/54/79/1046115479.db2.gz QFMDFQZBCCPUGZ-UHFFFAOYSA-N 1 1 341.377 4.173 20 10 EICDMO CCc1nc(C)c(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000794256506 1046389529 /nfs/dbraw/zinc/38/95/29/1046389529.db2.gz GSYPEEAHMVBVFC-UHFFFAOYSA-N 1 1 327.472 4.168 20 10 EICDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000771628129 1046462450 /nfs/dbraw/zinc/46/24/50/1046462450.db2.gz DWXGECJLSNMSRD-QGZVFWFLSA-N 1 1 347.499 4.235 20 10 EICDMO CN1CCN(c2ccc(C[NH2+][C@H](CC3CC3)c3ccccc3)cc2)CC1 ZINC000771840031 1046499350 /nfs/dbraw/zinc/49/93/50/1046499350.db2.gz DBTPSFCXMLBVDI-HSZRJFAPSA-N 1 1 349.522 4.069 20 10 EICDMO CC(C)(C)c1cc(C[N@H+]2CCC[C@@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000771929347 1046517960 /nfs/dbraw/zinc/51/79/60/1046517960.db2.gz XIJOQPFQZSKYQC-OAHLLOKOSA-N 1 1 333.516 4.192 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)CCOc2ccccc2OC)cc1 ZINC000917021027 1046563853 /nfs/dbraw/zinc/56/38/53/1046563853.db2.gz ZVIQOOCPTIOBHQ-UHFFFAOYSA-N 1 1 342.483 4.052 20 10 EICDMO COc1ccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)cc1F ZINC000917074564 1046638693 /nfs/dbraw/zinc/63/86/93/1046638693.db2.gz AEMPATUFGUEUPI-UHFFFAOYSA-N 1 1 330.447 4.311 20 10 EICDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)c2cc3ccccc3o2)c1 ZINC000785571910 1046723347 /nfs/dbraw/zinc/72/33/47/1046723347.db2.gz WDVIAWKQDALXFQ-QWHCGFSZSA-N 1 1 339.391 4.337 20 10 EICDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000746714504 1047067396 /nfs/dbraw/zinc/06/73/96/1047067396.db2.gz SMGKKTWCYRTWDQ-GOSISDBHSA-N 1 1 348.446 4.156 20 10 EICDMO CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132752 1047124676 /nfs/dbraw/zinc/12/46/76/1047124676.db2.gz ZXBABCOVZKLNQH-BDJLRTHQSA-N 1 1 343.298 4.224 20 10 EICDMO CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806127841 1047146882 /nfs/dbraw/zinc/14/68/82/1047146882.db2.gz KBBSAZCMCOVDBQ-HNNXBMFYSA-N 1 1 331.287 4.224 20 10 EICDMO CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806129694 1047152545 /nfs/dbraw/zinc/15/25/45/1047152545.db2.gz ICQWWNUOVJJFQP-INIZCTEOSA-N 1 1 343.298 4.367 20 10 EICDMO CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)c1cccc(Cl)c1[O-] ZINC000806148159 1047172816 /nfs/dbraw/zinc/17/28/16/1047172816.db2.gz CVUGZYVMBIUOPE-QAPCUYQASA-N 1 1 338.923 4.454 20 10 EICDMO COc1ccccc1CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788503248 1047207632 /nfs/dbraw/zinc/20/76/32/1047207632.db2.gz MNZKJTHTIUXVPE-LBPRGKRZSA-N 1 1 339.357 4.313 20 10 EICDMO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1O ZINC000788646233 1047248164 /nfs/dbraw/zinc/24/81/64/1047248164.db2.gz BNUSJETVQSPRAT-JTQLQIEISA-N 1 1 340.301 4.170 20 10 EICDMO CC(C)C[C@H](CCO)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788615197 1047250229 /nfs/dbraw/zinc/25/02/29/1047250229.db2.gz YDHSVVCJZTUUJM-STQMWFEESA-N 1 1 333.394 4.106 20 10 EICDMO Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788671667 1047269607 /nfs/dbraw/zinc/26/96/07/1047269607.db2.gz NAVLYFOBANJNRO-VHSXEESVSA-N 1 1 342.361 4.470 20 10 EICDMO Oc1ccc2oc3c(c2c1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)CCCC3 ZINC000789510615 1047435770 /nfs/dbraw/zinc/43/57/70/1047435770.db2.gz BBSFUVRJGCWPHG-APWZRJJASA-N 1 1 341.451 4.161 20 10 EICDMO CCn1nc(C)c(C[N@H+](Cc2ccco2)Cc2ccccc2O)c1C ZINC000154728314 1047438087 /nfs/dbraw/zinc/43/80/87/1047438087.db2.gz PAMWXAXLQJMPLZ-UHFFFAOYSA-N 1 1 339.439 4.021 20 10 EICDMO CCn1nc(C)c(C[N@@H+](Cc2ccco2)Cc2ccccc2O)c1C ZINC000154728314 1047438108 /nfs/dbraw/zinc/43/81/08/1047438108.db2.gz PAMWXAXLQJMPLZ-UHFFFAOYSA-N 1 1 339.439 4.021 20 10 EICDMO CC(C)(C)n1cc(C[N@H+](Cc2ccco2)Cc2ccccc2O)cn1 ZINC000154730537 1047454426 /nfs/dbraw/zinc/45/44/26/1047454426.db2.gz AWGAHFZKFXTBLZ-UHFFFAOYSA-N 1 1 339.439 4.139 20 10 EICDMO CC(C)(C)n1cc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)cn1 ZINC000154730537 1047454433 /nfs/dbraw/zinc/45/44/33/1047454433.db2.gz AWGAHFZKFXTBLZ-UHFFFAOYSA-N 1 1 339.439 4.139 20 10 EICDMO CC[C@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1ccc(F)cc1O ZINC000796694406 1047480384 /nfs/dbraw/zinc/48/03/84/1047480384.db2.gz NAGHEAKFPVREQP-SFHVURJKSA-N 1 1 344.430 4.489 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c1O ZINC001170535127 1047518753 /nfs/dbraw/zinc/51/87/53/1047518753.db2.gz FXPVNAGKQCKZBX-CYBMUJFWSA-N 1 1 347.817 4.377 20 10 EICDMO CCc1ccc([C@@H]2C[N@@H+](Cc3c(O)ccc4ccncc43)CCO2)cc1 ZINC000790458660 1047592262 /nfs/dbraw/zinc/59/22/62/1047592262.db2.gz CWYJFGSTAJMVOL-QFIPXVFZSA-N 1 1 348.446 4.076 20 10 EICDMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000918762845 1047647571 /nfs/dbraw/zinc/64/75/71/1047647571.db2.gz BPDJLUQWBAJZKA-MRXNPFEDSA-N 1 1 344.886 4.370 20 10 EICDMO CC1(C)C[N@@H+](Cc2c(O)ccc3ccncc32)Cc2ccccc2O1 ZINC000808236907 1047853553 /nfs/dbraw/zinc/85/35/53/1047853553.db2.gz SXIKRXYYGCDACT-UHFFFAOYSA-N 1 1 334.419 4.114 20 10 EICDMO C[N@@H+](CCC=C1c2ccccc2CCc2ccccc21)Cc1cnc[nH]1 ZINC001136871741 1047872258 /nfs/dbraw/zinc/87/22/58/1047872258.db2.gz GERHYVCVTHRDBT-UHFFFAOYSA-N 1 1 343.474 4.462 20 10 EICDMO C[N@H+](CCC=C1c2ccccc2CCc2ccccc21)Cc1c[nH]cn1 ZINC001136871741 1047872260 /nfs/dbraw/zinc/87/22/60/1047872260.db2.gz GERHYVCVTHRDBT-UHFFFAOYSA-N 1 1 343.474 4.462 20 10 EICDMO C[N@@H+](CCC=C1c2ccccc2CCc2ccccc21)Cc1c[nH]cn1 ZINC001136871741 1047872261 /nfs/dbraw/zinc/87/22/61/1047872261.db2.gz GERHYVCVTHRDBT-UHFFFAOYSA-N 1 1 343.474 4.462 20 10 EICDMO COc1cc(O)c(C[N@@H+](C(C)C)[C@@H](C)c2ccccc2)cc1OC ZINC000814170245 1047873482 /nfs/dbraw/zinc/87/34/82/1047873482.db2.gz STHIRLJNCGICHS-HNNXBMFYSA-N 1 1 329.440 4.381 20 10 EICDMO Cn1ccnc1[C@@H]1[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC1(C)C ZINC000824620347 1047895343 /nfs/dbraw/zinc/89/53/43/1047895343.db2.gz LFPCLMVPWKPWIN-FQEVSTJZSA-N 1 1 347.462 4.376 20 10 EICDMO Cn1ccnc1[C@@H]1[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC1(C)C ZINC000824620347 1047895350 /nfs/dbraw/zinc/89/53/50/1047895350.db2.gz LFPCLMVPWKPWIN-FQEVSTJZSA-N 1 1 347.462 4.376 20 10 EICDMO Oc1ccc2ccccc2c1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824696075 1047906558 /nfs/dbraw/zinc/90/65/58/1047906558.db2.gz HJFIINGNNCTGIW-RLLQIKCJSA-N 1 1 325.452 4.061 20 10 EICDMO CCCN(CCC)c1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000824989040 1048016044 /nfs/dbraw/zinc/01/60/44/1048016044.db2.gz YKOSDSNZMHTKRY-VCSGRIEYSA-N 1 1 329.532 4.028 20 10 EICDMO CCCN(CCC)c1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000824989040 1048016055 /nfs/dbraw/zinc/01/60/55/1048016055.db2.gz YKOSDSNZMHTKRY-VCSGRIEYSA-N 1 1 329.532 4.028 20 10 EICDMO Cc1cc([O-])c(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc1Cl ZINC000825064163 1048028884 /nfs/dbraw/zinc/02/88/84/1048028884.db2.gz IXASTYBKKXOEHU-UHFFFAOYSA-N 1 1 344.886 4.240 20 10 EICDMO Cc1ccc2nc(C[NH2+][C@H](C)c3cc(Cl)cc(C)c3O)[nH]c2c1 ZINC000808700639 1048081067 /nfs/dbraw/zinc/08/10/67/1048081067.db2.gz NUGJJCMLDRMCEL-GFCCVEGCSA-N 1 1 329.831 4.390 20 10 EICDMO Cc1cc([O-])c(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc1Cl ZINC000825421517 1048090406 /nfs/dbraw/zinc/09/04/06/1048090406.db2.gz BRKRXYCQFWOLRU-UHFFFAOYSA-N 1 1 344.886 4.240 20 10 EICDMO Fc1cc(F)c(C[NH2+]Cc2ccc(N3CCCCC3)cc2)c(F)c1 ZINC000815152412 1048351886 /nfs/dbraw/zinc/35/18/86/1048351886.db2.gz SCNKRZREZFHGBD-UHFFFAOYSA-N 1 1 334.385 4.384 20 10 EICDMO Cc1ccncc1CCC[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000809547503 1048408855 /nfs/dbraw/zinc/40/88/55/1048408855.db2.gz OJLRNCOXXMDKCH-UHFFFAOYSA-N 1 1 325.500 4.299 20 10 EICDMO CCC[N@H+](Cc1ccccc1O)Cc1ccc(OC)c(OC)c1C ZINC000809555920 1048413210 /nfs/dbraw/zinc/41/32/10/1048413210.db2.gz BTBBTRAQGBOBRH-UHFFFAOYSA-N 1 1 329.440 4.130 20 10 EICDMO Cc1csc(CC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)n1 ZINC000815558885 1048508846 /nfs/dbraw/zinc/50/88/46/1048508846.db2.gz QWABMPQDYOAXTH-SNVBAGLBSA-N 1 1 330.375 4.069 20 10 EICDMO CC[N@@H+](Cc1cc(Br)cc(C)c1O)[C@H](C)c1cccnc1 ZINC000809766494 1048526111 /nfs/dbraw/zinc/52/61/11/1048526111.db2.gz YZTWBVGLSOCFOH-CYBMUJFWSA-N 1 1 349.272 4.441 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(C(F)(F)F)c1O ZINC000815573900 1048536332 /nfs/dbraw/zinc/53/63/32/1048536332.db2.gz XLYUYQRQGRLFEJ-LLVKDONJSA-N 1 1 337.341 4.197 20 10 EICDMO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1cccc(C(F)(F)F)c1O ZINC000815617544 1048544196 /nfs/dbraw/zinc/54/41/96/1048544196.db2.gz PPUOETXKUKVWJE-ITDIGPHOSA-N 1 1 329.362 4.019 20 10 EICDMO CC[C@@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)c1ccc(C(F)(F)F)cc1O ZINC000810227773 1048696606 /nfs/dbraw/zinc/69/66/06/1048696606.db2.gz JBFVQMRVQIDGMG-MEBBXXQBSA-N 1 1 341.377 4.114 20 10 EICDMO CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)Cc1c(O)cc(O)cc1O ZINC001144516203 1048710522 /nfs/dbraw/zinc/71/05/22/1048710522.db2.gz SYVCDJSUQHGGTP-KRWDZBQOSA-N 1 1 343.467 4.427 20 10 EICDMO CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@H](C)c1cccc(OC)c1 ZINC000748051427 1048725460 /nfs/dbraw/zinc/72/54/60/1048725460.db2.gz WAHCGASLHDVGPD-CYBMUJFWSA-N 1 1 345.414 4.326 20 10 EICDMO CC(C)[N@@H+](C)C[C@H](C)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000810244950 1048728101 /nfs/dbraw/zinc/72/81/01/1048728101.db2.gz LDDJBIHSFHTFGB-IRXDYDNUSA-N 1 1 335.511 4.195 20 10 EICDMO CC(C)[N@H+](C)C[C@H](C)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000810244950 1048728110 /nfs/dbraw/zinc/72/81/10/1048728110.db2.gz LDDJBIHSFHTFGB-IRXDYDNUSA-N 1 1 335.511 4.195 20 10 EICDMO Oc1c(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)ccc2ccccc21 ZINC000816515213 1048822706 /nfs/dbraw/zinc/82/27/06/1048822706.db2.gz SEWQMQMCSDLZII-HSZRJFAPSA-N 1 1 345.442 4.219 20 10 EICDMO COc1cccc([C@@H](C)Nc2ccc([NH+]3CCCC3)cc2C)c1O ZINC000846157232 1048825195 /nfs/dbraw/zinc/82/51/95/1048825195.db2.gz BPWQOMVDQFMDST-OAHLLOKOSA-N 1 1 326.440 4.483 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000816529303 1048831512 /nfs/dbraw/zinc/83/15/12/1048831512.db2.gz NYQSEYXRMFHHAY-UHFFFAOYSA-N 1 1 333.712 4.493 20 10 EICDMO Cc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)cc1[N+](=O)[O-] ZINC000816554676 1048833587 /nfs/dbraw/zinc/83/35/87/1048833587.db2.gz GDYDCGWODUXRQW-SNVBAGLBSA-N 1 1 338.766 4.252 20 10 EICDMO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816560698 1048836200 /nfs/dbraw/zinc/83/62/00/1048836200.db2.gz XNVAZODAQUVJLS-QGHHPUGFSA-N 1 1 341.785 4.190 20 10 EICDMO C[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000846188562 1048838265 /nfs/dbraw/zinc/83/82/65/1048838265.db2.gz QBLSZAGECLCTAD-MEDUHNTESA-N 1 1 343.389 4.267 20 10 EICDMO COc1cc(C[N@H+]2CCC(F)(F)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000811781237 1049263199 /nfs/dbraw/zinc/26/31/99/1049263199.db2.gz WHNICVSTESEVCF-GFCCVEGCSA-N 1 1 327.415 4.175 20 10 EICDMO Cc1cnn([C@H]2CC[N@@H+](Cc3cc4oc5ccccc5c4cc3O)C2)c1 ZINC000811800154 1049269739 /nfs/dbraw/zinc/26/97/39/1049269739.db2.gz KVOJZIBCFUBRJF-INIZCTEOSA-N 1 1 347.418 4.244 20 10 EICDMO Oc1ccc2ccccc2c1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000819902930 1049386914 /nfs/dbraw/zinc/38/69/14/1049386914.db2.gz ILGQMYVIBTZLSS-NRFANRHFSA-N 1 1 337.463 4.327 20 10 EICDMO Oc1ccc2ccccc2c1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000819902931 1049387834 /nfs/dbraw/zinc/38/78/34/1049387834.db2.gz ILGQMYVIBTZLSS-OAQYLSRUSA-N 1 1 337.463 4.327 20 10 EICDMO C[N@@H+](Cc1c(O)ccc2ccncc21)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812298725 1049432676 /nfs/dbraw/zinc/43/26/76/1049432676.db2.gz RLBZYJQTLCOEFL-CVEARBPZSA-N 1 1 338.373 4.493 20 10 EICDMO CN(C)c1ccc(/C=C/C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1 ZINC000822529791 1049768835 /nfs/dbraw/zinc/76/88/35/1049768835.db2.gz JGNHKDVSERMQPB-LAEWNIMASA-N 1 1 340.511 4.047 20 10 EICDMO COc1ccc(N(C)CC[N@H+](C)Cc2ccc(F)cc2Cl)cc1 ZINC001171730472 1049786277 /nfs/dbraw/zinc/78/62/77/1049786277.db2.gz VUVRRIVNIGLJHT-UHFFFAOYSA-N 1 1 336.838 4.056 20 10 EICDMO COc1ccc(N(C)CC[N@@H+](C)Cc2ccc(F)cc2Cl)cc1 ZINC001171730472 1049786287 /nfs/dbraw/zinc/78/62/87/1049786287.db2.gz VUVRRIVNIGLJHT-UHFFFAOYSA-N 1 1 336.838 4.056 20 10 EICDMO C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@@H]1OCCc2sccc21 ZINC000813792531 1049817484 /nfs/dbraw/zinc/81/74/84/1049817484.db2.gz ABJMOFWIBVBHHU-FVMDXXJSSA-N 1 1 341.835 4.038 20 10 EICDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCc3ccc(C)cc32)c1 ZINC000813882922 1049831689 /nfs/dbraw/zinc/83/16/89/1049831689.db2.gz AMJGUINOJWNBSW-AUUYWEPGSA-N 1 1 339.435 4.215 20 10 EICDMO CN(Cc1cccs1)c1ccc(C[N@@H+](CCCCO)C2CC2)cc1 ZINC000823446960 1049847694 /nfs/dbraw/zinc/84/76/94/1049847694.db2.gz AOSCZHAYKIEOOP-UHFFFAOYSA-N 1 1 344.524 4.121 20 10 EICDMO CCc1cc(C[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)on1 ZINC000823568714 1049858531 /nfs/dbraw/zinc/85/85/31/1049858531.db2.gz IWTDNLCJXGAVCA-UHFFFAOYSA-N 1 1 341.480 4.225 20 10 EICDMO Cc1nc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c(C)s1 ZINC000772875136 1049871218 /nfs/dbraw/zinc/87/12/18/1049871218.db2.gz KHXRFVYOOLIMEK-ZIAGYGMSSA-N 1 1 345.512 4.008 20 10 EICDMO CC[C@@H](C)OCC[C@H](C)[N@H+]1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001172338087 1049888176 /nfs/dbraw/zinc/88/81/76/1049888176.db2.gz ACYNOFJHYNKIIU-JKSUJKDBSA-N 1 1 344.499 4.139 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CCC2(CCCC2)CC1 ZINC001172729791 1049968928 /nfs/dbraw/zinc/96/89/28/1049968928.db2.gz LACPVPYBDVTCHU-UHFFFAOYSA-N 1 1 342.527 4.458 20 10 EICDMO Oc1cc(Cl)ccc1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC001204205318 1050310299 /nfs/dbraw/zinc/31/02/99/1050310299.db2.gz RGEILJXNEHVOGX-MRXNPFEDSA-N 1 1 331.843 4.084 20 10 EICDMO C[C@@H]1CC([N@@H+](C)Cc2ccccc2O)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173682366 1050530829 /nfs/dbraw/zinc/53/08/29/1050530829.db2.gz XNWHAXHIAYQMAH-HUUCEWRRSA-N 1 1 348.487 4.001 20 10 EICDMO CC1(C)C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)c2cc(F)ccc2O1 ZINC001179085868 1050628377 /nfs/dbraw/zinc/62/83/77/1050628377.db2.gz HVXKDIMYQSTTFD-HNNXBMFYSA-N 1 1 337.341 4.202 20 10 EICDMO C[N@H+](Cc1cccc(OC(F)(F)F)c1)Cc1cc(F)cc(F)c1O ZINC001180112479 1050888790 /nfs/dbraw/zinc/88/87/90/1050888790.db2.gz KZGKARFXWDJGSV-UHFFFAOYSA-N 1 1 347.283 4.201 20 10 EICDMO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)Cc1cc(F)cc(F)c1O ZINC001180112479 1050888793 /nfs/dbraw/zinc/88/87/93/1050888793.db2.gz KZGKARFXWDJGSV-UHFFFAOYSA-N 1 1 347.283 4.201 20 10 EICDMO CN(C)c1ccc(/C=C/C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC001180174952 1050894671 /nfs/dbraw/zinc/89/46/71/1050894671.db2.gz PQHVDBIKRPUPSA-FHOSRQNYSA-N 1 1 340.467 4.040 20 10 EICDMO CC[C@H](c1ccccc1)[N@@H+](CC)Cc1ccc(OC)c(OC)c1O ZINC001180158614 1050904882 /nfs/dbraw/zinc/90/48/82/1050904882.db2.gz YKAQKGJTWOVQQC-QGZVFWFLSA-N 1 1 329.440 4.383 20 10 EICDMO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2cc(F)cc(F)c2O)c1 ZINC001180202955 1050913412 /nfs/dbraw/zinc/91/34/12/1050913412.db2.gz FWNUZMGQFKTPHR-SFHVURJKSA-N 1 1 332.394 4.074 20 10 EICDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2cc(F)cc(F)c2O)c1 ZINC001180202955 1050913425 /nfs/dbraw/zinc/91/34/25/1050913425.db2.gz FWNUZMGQFKTPHR-SFHVURJKSA-N 1 1 332.394 4.074 20 10 EICDMO CN(C)c1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)cc1 ZINC000183308180 1051082770 /nfs/dbraw/zinc/08/27/70/1051082770.db2.gz PBJWNDNZPGJPID-NRFANRHFSA-N 1 1 335.426 4.166 20 10 EICDMO CN(C)c1ccc([N@@H+]2C(=N)C=CC(/N=N/c3ccccc3)=C2N)cc1 ZINC001174877004 1051227554 /nfs/dbraw/zinc/22/75/54/1051227554.db2.gz CMTWZKUXGWOQFJ-SMLNAYLFSA-N 1 1 332.411 4.020 20 10 EICDMO CN(C)c1ccc([N@H+]2C(=N)C=CC(/N=N/c3ccccc3)=C2N)cc1 ZINC001174877004 1051227559 /nfs/dbraw/zinc/22/75/59/1051227559.db2.gz CMTWZKUXGWOQFJ-SMLNAYLFSA-N 1 1 332.411 4.020 20 10 EICDMO COc1ccc(O)c(C[N@H+]2C[C@H](C)CC[C@@H]2c2ccccc2OC)c1 ZINC001181674869 1051276408 /nfs/dbraw/zinc/27/64/08/1051276408.db2.gz PRIPIAMOLQAAQS-DNVCBOLYSA-N 1 1 341.451 4.383 20 10 EICDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)cc1F ZINC001175053305 1051343166 /nfs/dbraw/zinc/34/31/66/1051343166.db2.gz MIDHTVSKMBSZFZ-GOSISDBHSA-N 1 1 342.458 4.198 20 10 EICDMO C[C@@H]([NH2+]Cc1cn2ccsc2n1)c1cc(Cl)c(Cl)cc1O ZINC000774149962 1051484099 /nfs/dbraw/zinc/48/40/99/1051484099.db2.gz ZMCUPNPZLIQRND-MRVPVSSYSA-N 1 1 342.251 4.259 20 10 EICDMO C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1cc(Cl)c(Cl)cc1O ZINC000774186782 1051508085 /nfs/dbraw/zinc/50/80/85/1051508085.db2.gz CWFIJZMSLJQYHX-APPDUMDISA-N 1 1 340.250 4.257 20 10 EICDMO COc1cc(C)c(C[N@H+]2CCC[C@H]2c2ccc(F)cc2C)c(O)c1 ZINC001182345827 1051512045 /nfs/dbraw/zinc/51/20/45/1051512045.db2.gz RYLLZOAXOCOUMM-IBGZPJMESA-N 1 1 329.415 4.494 20 10 EICDMO C[C@@H]([NH2+]CCCc1nccs1)c1cc(Cl)c(Cl)cc1O ZINC000774256537 1051529999 /nfs/dbraw/zinc/52/99/99/1051529999.db2.gz YUODMFFSXCSBLA-SECBINFHSA-N 1 1 331.268 4.439 20 10 EICDMO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC001182960777 1051748341 /nfs/dbraw/zinc/74/83/41/1051748341.db2.gz UVQUMVCJUUTFCN-GFCCVEGCSA-N 1 1 342.252 4.306 20 10 EICDMO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC001182960777 1051748359 /nfs/dbraw/zinc/74/83/59/1051748359.db2.gz UVQUMVCJUUTFCN-GFCCVEGCSA-N 1 1 342.252 4.306 20 10 EICDMO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)CCO2 ZINC000775574221 1051875938 /nfs/dbraw/zinc/87/59/38/1051875938.db2.gz OJSOHHMRDMNUDV-DIFFPNOSSA-N 1 1 349.377 4.244 20 10 EICDMO Oc1cc(F)c(F)cc1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC001183788683 1051899484 /nfs/dbraw/zinc/89/94/84/1051899484.db2.gz OLCMYNHKXWGKPB-INIZCTEOSA-N 1 1 331.362 4.207 20 10 EICDMO C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1cccc(Cl)c1[O-] ZINC001184238830 1051976065 /nfs/dbraw/zinc/97/60/65/1051976065.db2.gz GQYQOYXBDYOCJE-UHFFFAOYSA-N 1 1 327.815 4.068 20 10 EICDMO CCCC[N@H+](Cc1ccccc1O)[C@H](C(=O)OC)c1ccccc1C ZINC001193839996 1051996033 /nfs/dbraw/zinc/99/60/33/1051996033.db2.gz VOQWHSSSRFJLRV-FQEVSTJZSA-N 1 1 341.451 4.217 20 10 EICDMO CCCC[N@@H+](Cc1ccccc1O)[C@H](C(=O)OC)c1ccccc1C ZINC001193839996 1051996040 /nfs/dbraw/zinc/99/60/40/1051996040.db2.gz VOQWHSSSRFJLRV-FQEVSTJZSA-N 1 1 341.451 4.217 20 10 EICDMO CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccc2c(c1)OCCO2 ZINC000185107107 1052434260 /nfs/dbraw/zinc/43/42/60/1052434260.db2.gz GMBHUDPCKYHHQI-BLLLJJGKSA-N 1 1 331.387 4.104 20 10 EICDMO C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cc(F)ccc1[O-] ZINC000185241687 1052551350 /nfs/dbraw/zinc/55/13/50/1052551350.db2.gz FGORLXKWZIEOIZ-AWEZNQCLSA-N 1 1 348.487 4.156 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(F)cc1O ZINC000185592720 1052651373 /nfs/dbraw/zinc/65/13/73/1052651373.db2.gz FQZDEPAPRSSZBY-CYBMUJFWSA-N 1 1 345.414 4.337 20 10 EICDMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccc(-n2cccn2)cc1 ZINC000185611353 1052657588 /nfs/dbraw/zinc/65/75/88/1052657588.db2.gz IKHOXOFFYHGTGI-KBPBESRZSA-N 1 1 325.387 4.129 20 10 EICDMO C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc2ccccc2c1[O-] ZINC000325126355 1052984751 /nfs/dbraw/zinc/98/47/51/1052984751.db2.gz DAYPZMLTPZFYMW-DLBZAZTESA-N 1 1 326.484 4.318 20 10 EICDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1O ZINC000775630419 1053216561 /nfs/dbraw/zinc/21/65/61/1053216561.db2.gz LCHLZRVSWWBFEH-HNNXBMFYSA-N 1 1 335.245 4.128 20 10 EICDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@H](C(F)(F)F)[C@@H]3C)c2c1 ZINC000794654578 1053253823 /nfs/dbraw/zinc/25/38/23/1053253823.db2.gz DHGQHVFIPKOXPZ-ZBEGNZNMSA-N 1 1 339.357 4.327 20 10 EICDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2cccc(C)c2O)c1 ZINC000775644317 1053309723 /nfs/dbraw/zinc/30/97/23/1053309723.db2.gz HAXGWYWFDDOOHN-GOSISDBHSA-N 1 1 327.424 4.055 20 10 EICDMO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]2c2cccn2C)c1O ZINC000775644781 1053332651 /nfs/dbraw/zinc/33/26/51/1053332651.db2.gz UYWWWVDIBNWVJJ-INIZCTEOSA-N 1 1 349.272 4.139 20 10 EICDMO COc1ccc(O)c(C[N@@H+](Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)c1 ZINC000775650366 1053367763 /nfs/dbraw/zinc/36/77/63/1053367763.db2.gz YYIGCAPLNDPTMU-ACJLOTCBSA-N 1 1 327.424 4.282 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1cccc2cccnc21)C[C@@H]1CCCO1 ZINC000109761564 1053420060 /nfs/dbraw/zinc/42/00/60/1053420060.db2.gz OPZIITWXJBFKSE-FQEVSTJZSA-N 1 1 348.446 4.122 20 10 EICDMO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)c(O)c1C ZINC000794829128 1053439598 /nfs/dbraw/zinc/43/95/98/1053439598.db2.gz STQUVLSVKQMRIY-AZUAARDMSA-N 1 1 338.495 4.182 20 10 EICDMO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC000775665169 1053443581 /nfs/dbraw/zinc/44/35/81/1053443581.db2.gz ZQMMMJVXZFRXDK-CVEARBPZSA-N 1 1 336.907 4.132 20 10 EICDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC000775665169 1053443585 /nfs/dbraw/zinc/44/35/85/1053443585.db2.gz ZQMMMJVXZFRXDK-CVEARBPZSA-N 1 1 336.907 4.132 20 10 EICDMO C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000775665169 1053443588 /nfs/dbraw/zinc/44/35/88/1053443588.db2.gz ZQMMMJVXZFRXDK-CVEARBPZSA-N 1 1 336.907 4.132 20 10 EICDMO C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000775665169 1053443591 /nfs/dbraw/zinc/44/35/91/1053443591.db2.gz ZQMMMJVXZFRXDK-CVEARBPZSA-N 1 1 336.907 4.132 20 10 EICDMO Cc1cc(Br)cc(C[N@H+]2CC[C@H](c3ccco3)C2)c1O ZINC000775693213 1053611905 /nfs/dbraw/zinc/61/19/05/1053611905.db2.gz WGAVLANLGWKUFY-LBPRGKRZSA-N 1 1 336.229 4.046 20 10 EICDMO C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc2c(c1)CCCO2 ZINC000853094627 1053645074 /nfs/dbraw/zinc/64/50/74/1053645074.db2.gz HYFLOOUPIDIFMR-LLVKDONJSA-N 1 1 335.806 4.361 20 10 EICDMO C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)C[C@H](CC(F)(F)F)O1 ZINC000853614425 1053689027 /nfs/dbraw/zinc/68/90/27/1053689027.db2.gz LLAJGAAIPRCODQ-OCCSQVGLSA-N 1 1 339.357 4.087 20 10 EICDMO C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)C[C@@H](CC(F)(F)F)O1 ZINC000853614428 1053689270 /nfs/dbraw/zinc/68/92/70/1053689270.db2.gz LLAJGAAIPRCODQ-TZMCWYRMSA-N 1 1 339.357 4.087 20 10 EICDMO CC[C@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(F)cc1O ZINC000866485189 1053749813 /nfs/dbraw/zinc/74/98/13/1053749813.db2.gz GSBBIWPLDUZSBS-YGRLFVJLSA-N 1 1 330.359 4.180 20 10 EICDMO Cc1cc(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)ccc1N1CCCCC1 ZINC001197177635 1053848127 /nfs/dbraw/zinc/84/81/27/1053848127.db2.gz SMWSTECTAJXVMM-NNWRFLSQSA-N 1 1 342.527 4.111 20 10 EICDMO COc1cc(C[N@H+]2CCC[C@H]2C2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000776773285 1053866407 /nfs/dbraw/zinc/86/64/07/1053866407.db2.gz WOLIOERRYGRNAM-IBGZPJMESA-N 1 1 347.499 4.089 20 10 EICDMO C[C@H]([NH2+]Cc1ncc(-c2ccc(F)cc2)o1)c1ccc(N(C)C)cc1 ZINC000775830310 1054092813 /nfs/dbraw/zinc/09/28/13/1054092813.db2.gz HTDCHIKKBAMTPB-AWEZNQCLSA-N 1 1 339.414 4.398 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2ccc(Cl)cc2)c1 ZINC001199060400 1054335574 /nfs/dbraw/zinc/33/55/74/1054335574.db2.gz TVIUMGVMRXXXEH-UHFFFAOYSA-N 1 1 340.648 4.406 20 10 EICDMO C[C@H]([NH2+]Cc1ncc(Cl)s1)c1cc(Br)ccc1O ZINC000872115104 1054393605 /nfs/dbraw/zinc/39/36/05/1054393605.db2.gz HGLBAYYXJFIJKX-ZETCQYMHSA-N 1 1 347.665 4.115 20 10 EICDMO CN(C)c1cc(F)c(C[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)cc1F ZINC000858115107 1054418406 /nfs/dbraw/zinc/41/84/06/1054418406.db2.gz DBBCNDZHHMVKSW-VQTJNVASSA-N 1 1 346.421 4.041 20 10 EICDMO Cc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)c1O ZINC000775992865 1054433511 /nfs/dbraw/zinc/43/35/11/1054433511.db2.gz ZJOFKPRSBJIGEA-QGZVFWFLSA-N 1 1 335.806 4.067 20 10 EICDMO Cc1cccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)c1O ZINC000775992865 1054433518 /nfs/dbraw/zinc/43/35/18/1054433518.db2.gz ZJOFKPRSBJIGEA-QGZVFWFLSA-N 1 1 335.806 4.067 20 10 EICDMO CCC[N@@H+](Cc1cccc(OC)c1O)[C@H]1CCCc2cccnc21 ZINC000775998252 1054434898 /nfs/dbraw/zinc/43/48/98/1054434898.db2.gz UCAZCNSTIVOGBP-KRWDZBQOSA-N 1 1 326.440 4.085 20 10 EICDMO CCC[N@@H+](Cc1ccc(OCC)cc1O)[C@H]1CCCc2cccnc21 ZINC000775995557 1054435801 /nfs/dbraw/zinc/43/58/01/1054435801.db2.gz NQQCOFGJBAEURD-IBGZPJMESA-N 1 1 340.467 4.476 20 10 EICDMO Cc1ncc(C[N@@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)cn1 ZINC000776006760 1054441899 /nfs/dbraw/zinc/44/18/99/1054441899.db2.gz CQUFBMMRXLLLMF-MRXNPFEDSA-N 1 1 333.435 4.254 20 10 EICDMO Cc1ncc(C[N@@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)cn1 ZINC000776006289 1054443014 /nfs/dbraw/zinc/44/30/14/1054443014.db2.gz CQUFBMMRXLLLMF-INIZCTEOSA-N 1 1 333.435 4.254 20 10 EICDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000776013843 1054443794 /nfs/dbraw/zinc/44/37/94/1054443794.db2.gz JEIYHHNXNUPCRC-IBGZPJMESA-N 1 1 329.827 4.067 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2Cc3ccccc3C3(CC3)C2)c1O ZINC000776015947 1054449102 /nfs/dbraw/zinc/44/91/02/1054449102.db2.gz XVVLBEJPCDWYOY-UHFFFAOYSA-N 1 1 329.827 4.102 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H]2CCC[C@H](C)C2)c1 ZINC001199761209 1054464534 /nfs/dbraw/zinc/46/45/34/1054464534.db2.gz VFZIPILSOVIAPU-AAEUAGOBSA-N 1 1 326.278 4.379 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCCC2)o1)Cc1ccc(N2CCCC2)cc1 ZINC001137068015 1054490608 /nfs/dbraw/zinc/49/06/08/1054490608.db2.gz RQDGUOJGYLHBFB-UHFFFAOYSA-N 1 1 339.483 4.112 20 10 EICDMO C[C@H]([NH2+]Cc1ccccc1CC(F)(F)F)c1ccc(F)cc1O ZINC000858590630 1054528765 /nfs/dbraw/zinc/52/87/65/1054528765.db2.gz BPIHGWLNNXRXDQ-NSHDSACASA-N 1 1 327.321 4.487 20 10 EICDMO Cc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000876571681 1054932282 /nfs/dbraw/zinc/93/22/82/1054932282.db2.gz CNQZAKZMDUXETD-GOSISDBHSA-N 1 1 338.495 4.149 20 10 EICDMO Cc1cc([NH+](C)C)cc(C)c1NCc1c(O)cccc1Br ZINC001201882773 1054935740 /nfs/dbraw/zinc/93/57/40/1054935740.db2.gz YAKIDZRADFVQJD-UHFFFAOYSA-N 1 1 349.272 4.450 20 10 EICDMO Cc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(O)c1 ZINC000876630904 1054943534 /nfs/dbraw/zinc/94/35/34/1054943534.db2.gz NJBSDOKHAFLKPR-TXEJJXNPSA-N 1 1 341.295 4.263 20 10 EICDMO Cc1cccc(O)c1C[N@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000877336611 1055045108 /nfs/dbraw/zinc/04/51/08/1055045108.db2.gz LCBOETKVNHNHCW-XLIONFOSSA-N 1 1 329.415 4.192 20 10 EICDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000776295935 1055179996 /nfs/dbraw/zinc/17/99/96/1055179996.db2.gz VIPSNQMINQTMMG-HNNXBMFYSA-N 1 1 337.427 4.175 20 10 EICDMO CCOCc1cc(C[NH2+][C@](C)(CC)c2nccs2)ccc1OC ZINC000172673018 1056630746 /nfs/dbraw/zinc/63/07/46/1056630746.db2.gz JBSDHADVOPGWKM-GOSISDBHSA-N 1 1 334.485 4.103 20 10 EICDMO CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(Br)ccc1O ZINC000743871162 1059191014 /nfs/dbraw/zinc/19/10/14/1059191014.db2.gz UIAITRGXFUBNID-UHFFFAOYSA-N 1 1 338.220 4.316 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000743869877 1059192817 /nfs/dbraw/zinc/19/28/17/1059192817.db2.gz DFZHTXNAFHSEAB-QGZVFWFLSA-N 1 1 340.467 4.248 20 10 EICDMO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@@H](C)N(C)Cc2ccccc2)c1 ZINC000379616835 1059609729 /nfs/dbraw/zinc/60/97/29/1059609729.db2.gz CZNJSIYIEVTEOP-MSOLQXFVSA-N 1 1 326.484 4.262 20 10 EICDMO C[C@@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000379640267 1059706697 /nfs/dbraw/zinc/70/66/97/1059706697.db2.gz BNPDNRQLUQFZLV-HZPDHXFCSA-N 1 1 330.447 4.093 20 10 EICDMO Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)ccc1N(C)C ZINC001169872570 1061016347 /nfs/dbraw/zinc/01/63/47/1061016347.db2.gz MBIMTQDSAJLLFA-NTSGDEEZSA-N 1 1 344.543 4.213 20 10 EICDMO Oc1c(Br)cccc1C[NH2+][C@@H]1CCCc2sccc21 ZINC000061360404 214661152 /nfs/dbraw/zinc/66/11/52/214661152.db2.gz DMYZRUDNUTXTRH-CYBMUJFWSA-N 1 1 338.270 4.383 20 10 EICDMO COc1ccccc1[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccco1 ZINC000180931457 1032632368 /nfs/dbraw/zinc/63/23/68/1032632368.db2.gz OBRLOUCQDLCHEA-IBGZPJMESA-N 1 1 327.355 4.012 20 10 EICDMO Cc1ccc([C@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)c(O)c1C ZINC000274937263 1019871797 /nfs/dbraw/zinc/87/17/97/1019871797.db2.gz AJJBGMMDELSJAD-AWEZNQCLSA-N 1 1 332.444 4.163 20 10 EICDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccccc2Cl)c1 ZINC000754100017 1020491799 /nfs/dbraw/zinc/49/17/99/1020491799.db2.gz GFQZCKNDVBXETN-NEPJUHHUSA-N 1 1 333.815 4.244 20 10 EICDMO Cc1[nH+]ccn1CCNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000748105270 1020538637 /nfs/dbraw/zinc/53/86/37/1020538637.db2.gz FWTHQUZGIUBSKV-UHFFFAOYSA-N 1 1 348.410 4.429 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@@H](C)c2ccccc2)c1O ZINC001167313587 1021054928 /nfs/dbraw/zinc/05/49/28/1021054928.db2.gz HHLBBMWIOHEKIE-CYBMUJFWSA-N 1 1 331.843 4.484 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)C[C@@H](C)c2ccccc2)c1O ZINC001167313587 1021054931 /nfs/dbraw/zinc/05/49/31/1021054931.db2.gz HHLBBMWIOHEKIE-CYBMUJFWSA-N 1 1 331.843 4.484 20 10 EICDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000376167854 1021650133 /nfs/dbraw/zinc/65/01/33/1021650133.db2.gz TUYVDISAZZWWKG-ZDUSSCGKSA-N 1 1 344.361 4.191 20 10 EICDMO Oc1c(F)cccc1C[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000376167854 1021650139 /nfs/dbraw/zinc/65/01/39/1021650139.db2.gz TUYVDISAZZWWKG-ZDUSSCGKSA-N 1 1 344.361 4.191 20 10 EICDMO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC000310890155 1022581504 /nfs/dbraw/zinc/58/15/04/1022581504.db2.gz KHWGFWWBROGWSV-GCJKJVERSA-N 1 1 338.495 4.263 20 10 EICDMO CC[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccc(C)cc1O ZINC000377094846 1023368737 /nfs/dbraw/zinc/36/87/37/1023368737.db2.gz PMRJAVLDNCFDKA-IBGZPJMESA-N 1 1 333.435 4.399 20 10 EICDMO Oc1cccc(Br)c1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000707143484 1023490993 /nfs/dbraw/zinc/49/09/93/1023490993.db2.gz UDFMZISQOCFWIN-AWEZNQCLSA-N 1 1 332.241 4.144 20 10 EICDMO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC000311073411 1023544982 /nfs/dbraw/zinc/54/49/82/1023544982.db2.gz KNNOACVXAZUYKK-BJLQDIEVSA-N 1 1 338.495 4.262 20 10 EICDMO CC[C@H](c1ccccc1O)[N@@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000377614815 1023633476 /nfs/dbraw/zinc/63/34/76/1023633476.db2.gz JUPFFAYMOVGUDX-RTBURBONSA-N 1 1 349.434 4.334 20 10 EICDMO CC[C@H](c1ccccc1O)[N@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000377614815 1023633481 /nfs/dbraw/zinc/63/34/81/1023633481.db2.gz JUPFFAYMOVGUDX-RTBURBONSA-N 1 1 349.434 4.334 20 10 EICDMO CC[C@H](c1ccccc1O)[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000377615235 1023633997 /nfs/dbraw/zinc/63/39/97/1023633997.db2.gz LHDJAQHDANKKKG-HZPDHXFCSA-N 1 1 327.428 4.331 20 10 EICDMO CC[C@H](c1ccccc1O)[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000377615235 1023634001 /nfs/dbraw/zinc/63/40/01/1023634001.db2.gz LHDJAQHDANKKKG-HZPDHXFCSA-N 1 1 327.428 4.331 20 10 EICDMO Oc1ccc2oc3c(c2c1C[N@@H+](C[C@@H]1CCOC1)C1CC1)CCCC3 ZINC000123811924 1023666274 /nfs/dbraw/zinc/66/62/74/1023666274.db2.gz RLTLESXNOFRSDG-AWEZNQCLSA-N 1 1 341.451 4.018 20 10 EICDMO COc1cccc(C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)c1O ZINC000759829186 1023674793 /nfs/dbraw/zinc/67/47/93/1023674793.db2.gz QJWRWMLBNPUNSK-UHFFFAOYSA-N 1 1 338.234 4.487 20 10 EICDMO COc1ccc(C[N@@H+]([C@H](C)c2ccccc2)C2CC2)c(O)c1OC ZINC000891591794 1023804237 /nfs/dbraw/zinc/80/42/37/1023804237.db2.gz FTRQWGNWKBKGIS-CQSZACIVSA-N 1 1 327.424 4.135 20 10 EICDMO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(N2CCCCC2)cc1 ZINC000178257133 1023876139 /nfs/dbraw/zinc/87/61/39/1023876139.db2.gz XYPMGKIULBJQKA-SFHVURJKSA-N 1 1 341.543 4.202 20 10 EICDMO C[C@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(N2CCCCC2)cc1 ZINC000178257133 1023876140 /nfs/dbraw/zinc/87/61/40/1023876140.db2.gz XYPMGKIULBJQKA-SFHVURJKSA-N 1 1 341.543 4.202 20 10 EICDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000894514736 1026108321 /nfs/dbraw/zinc/10/83/21/1026108321.db2.gz BRVRYHIZLMXXQO-INIZCTEOSA-N 1 1 345.439 4.001 20 10 EICDMO CC[C@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)c1ccc(F)cc1O ZINC000796663406 1027407800 /nfs/dbraw/zinc/40/78/00/1027407800.db2.gz MDXFNHGEDSRDCN-ZWKOTPCHSA-N 1 1 334.410 4.014 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H](C)CC(F)(F)F)c1 ZINC000840964869 1027932461 /nfs/dbraw/zinc/93/24/61/1027932461.db2.gz WJUTYFAAXPRDQU-SECBINFHSA-N 1 1 340.183 4.141 20 10 EICDMO c1cc2[nH+]ccc(NCc3ccc(N4CCSCC4)cc3)c2s1 ZINC000301340791 1029711765 /nfs/dbraw/zinc/71/17/65/1029711765.db2.gz FVLWMKQOGLFJRY-UHFFFAOYSA-N 1 1 341.505 4.462 20 10 EICDMO C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)c1ccc(F)cc1O ZINC000185741817 1030222354 /nfs/dbraw/zinc/22/23/54/1030222354.db2.gz BTBDCEQLLZDYIO-ZIAGYGMSSA-N 1 1 325.387 4.129 20 10 EICDMO CC[C@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccc(C)cc1O ZINC000279990460 1035115699 /nfs/dbraw/zinc/11/56/99/1035115699.db2.gz FHNMLVTYKGBMDV-IBGZPJMESA-N 1 1 330.447 4.142 20 10 EICDMO COc1cc(Cl)cc(C[N@@H+](C)Cc2cc3ccccc3o2)c1O ZINC000761201878 1036025979 /nfs/dbraw/zinc/02/59/79/1036025979.db2.gz HPDKCGLLZGDEOO-UHFFFAOYSA-N 1 1 331.799 4.432 20 10 EICDMO COc1cc(Cl)cc(C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)c1O ZINC000761214791 1036105388 /nfs/dbraw/zinc/10/53/88/1036105388.db2.gz FTHFWEXIZKAVSH-UHFFFAOYSA-N 1 1 345.748 4.104 20 10 EICDMO Cc1ccc(O)c([C@H](C)[NH2+][C@H](c2nccn2C)c2ccc(F)cc2)c1 ZINC000273419028 1037460859 /nfs/dbraw/zinc/46/08/59/1037460859.db2.gz ROVXDHCJJNMCSH-LIRRHRJNSA-N 1 1 339.414 4.013 20 10 EICDMO C[C@H]([NH2+]CCc1ccc(Br)s1)c1ccc(F)cc1O ZINC000230659409 1038224386 /nfs/dbraw/zinc/22/43/86/1038224386.db2.gz GKQKQMPVOQOUBQ-VIFPVBQESA-N 1 1 344.249 4.249 20 10 EICDMO C[C@H]([NH2+]Cc1ccc(Br)s1)c1ccc(F)cc1O ZINC000062747829 1038238621 /nfs/dbraw/zinc/23/86/21/1038238621.db2.gz BMGSDXIBEYWMIY-QMMMGPOBSA-N 1 1 330.222 4.206 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccc(F)cc1O ZINC000062747830 1038238741 /nfs/dbraw/zinc/23/87/41/1038238741.db2.gz BMGSDXIBEYWMIY-MRVPVSSYSA-N 1 1 330.222 4.206 20 10 EICDMO C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1cc(Cl)c2cccnc2c1O ZINC001168458925 1042891770 /nfs/dbraw/zinc/89/17/70/1042891770.db2.gz JQFBDCDDMXBRII-LBPRGKRZSA-N 1 1 344.817 4.454 20 10 EICDMO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)cc1 ZINC000186823966 1043064853 /nfs/dbraw/zinc/06/48/53/1043064853.db2.gz RHHSIQGCCLZXLT-HNNXBMFYSA-N 1 1 345.487 4.297 20 10 EICDMO CCC[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@H]1CCCCO1 ZINC000730256241 1043486341 /nfs/dbraw/zinc/48/63/41/1043486341.db2.gz ZELQFSPOKJHUPU-QGZVFWFLSA-N 1 1 335.488 4.176 20 10 EICDMO COc1ccccc1OCC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000731848521 1043833896 /nfs/dbraw/zinc/83/38/96/1043833896.db2.gz ZSEBUXRTCMHWHX-UHFFFAOYSA-N 1 1 341.451 4.224 20 10 EICDMO O=C(CC[N@H+](Cc1ccccc1O)C1CCCC1)Nc1ccccc1 ZINC000731848351 1043834442 /nfs/dbraw/zinc/83/44/42/1043834442.db2.gz XFXHTYVFSRSODH-UHFFFAOYSA-N 1 1 338.451 4.166 20 10 EICDMO CC(=O)Nc1cccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000731847147 1043834535 /nfs/dbraw/zinc/83/45/35/1043834535.db2.gz FCOBWINBHMSNET-UHFFFAOYSA-N 1 1 338.451 4.295 20 10 EICDMO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+](C)Cc1ccccc1O ZINC000731843380 1043835617 /nfs/dbraw/zinc/83/56/17/1043835617.db2.gz BPMFOPPYYMFGRN-LBPRGKRZSA-N 1 1 325.330 4.484 20 10 EICDMO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+](C)Cc1ccccc1O ZINC000731843378 1043836159 /nfs/dbraw/zinc/83/61/59/1043836159.db2.gz BPMFOPPYYMFGRN-GFCCVEGCSA-N 1 1 325.330 4.484 20 10 EICDMO CC(C)(C)c1nnc(C[N@@H+](Cc2ccccc2O)C2CCCC2)o1 ZINC000732204554 1043887197 /nfs/dbraw/zinc/88/71/97/1043887197.db2.gz MUFOYMZRHVJKCN-UHFFFAOYSA-N 1 1 329.444 4.018 20 10 EICDMO Oc1ccccc1C[N@H+](C[C@H](O)c1ccccc1F)C1CCCC1 ZINC000732204743 1043887241 /nfs/dbraw/zinc/88/72/41/1043887241.db2.gz RCNFZXQZNPWNQS-FQEVSTJZSA-N 1 1 329.415 4.010 20 10 EICDMO CC(C)n1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)n1 ZINC000766095282 1044061603 /nfs/dbraw/zinc/06/16/03/1044061603.db2.gz RTABBPCLCNWCLL-INIZCTEOSA-N 1 1 344.478 4.444 20 10 EICDMO C[C@@H]([NH2+]C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1)c1ccccc1O ZINC001168030473 1044796292 /nfs/dbraw/zinc/79/62/92/1044796292.db2.gz VXOVCLHXSKLGSP-KZNAEPCWSA-N 1 1 338.495 4.484 20 10 EICDMO C[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1c(O)ccc2ccncc21 ZINC000762106531 1044926514 /nfs/dbraw/zinc/92/65/14/1044926514.db2.gz KXRDTLYHEITSRE-UHFFFAOYSA-N 1 1 330.790 4.365 20 10 EICDMO CC[NH+](CC)CC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000738072052 1045033135 /nfs/dbraw/zinc/03/31/35/1045033135.db2.gz YQLHXUHWHSQFFR-UHFFFAOYSA-N 1 1 326.484 4.099 20 10 EICDMO CCCC[N@H+](C)CC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000738066798 1045033847 /nfs/dbraw/zinc/03/38/47/1045033847.db2.gz FPFUKXSRLIEBAI-UHFFFAOYSA-N 1 1 340.511 4.489 20 10 EICDMO CCCC[N@@H+](C)CC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000738066798 1045033850 /nfs/dbraw/zinc/03/38/50/1045033850.db2.gz FPFUKXSRLIEBAI-UHFFFAOYSA-N 1 1 340.511 4.489 20 10 EICDMO Cc1cc(C[N@H+]2CCC[C@@H]2CN2CCCC2)c(O)c(C(C)(C)C)c1 ZINC000738104609 1045039175 /nfs/dbraw/zinc/03/91/75/1045039175.db2.gz MLKSTBDLUYWGHA-GOSISDBHSA-N 1 1 330.516 4.058 20 10 EICDMO Cc1cc(CN2CCC[C@@H]2C[NH+]2CCCC2)c(O)c(C(C)(C)C)c1 ZINC000738104609 1045039191 /nfs/dbraw/zinc/03/91/91/1045039191.db2.gz MLKSTBDLUYWGHA-GOSISDBHSA-N 1 1 330.516 4.058 20 10 EICDMO Oc1ccc2ccncc2c1C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000738241119 1045051507 /nfs/dbraw/zinc/05/15/07/1045051507.db2.gz QBLOKCGOXBNUSX-HXUWFJFHSA-N 1 1 336.460 4.231 20 10 EICDMO CCc1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000739876967 1045169051 /nfs/dbraw/zinc/16/90/51/1045169051.db2.gz WZMZXTXEJBKYOV-SFHVURJKSA-N 1 1 344.543 4.170 20 10 EICDMO Cc1cccc([C@@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccccn2)c1 ZINC000153542478 1045235990 /nfs/dbraw/zinc/23/59/90/1045235990.db2.gz QMTMEZHEXXRPLB-JOCHJYFZSA-N 1 1 330.431 4.204 20 10 EICDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000790935472 1045624884 /nfs/dbraw/zinc/62/48/84/1045624884.db2.gz WTGSFNOVASLJLZ-JXFKEZNVSA-N 1 1 325.452 4.185 20 10 EICDMO C[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cccc(C(F)(F)F)c1O ZINC000798183260 1045706030 /nfs/dbraw/zinc/70/60/30/1045706030.db2.gz MPFBPNWFZBQQSX-MEBBXXQBSA-N 1 1 345.386 4.031 20 10 EICDMO CC(C)(C)[N@@H+](Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000768137462 1045723877 /nfs/dbraw/zinc/72/38/77/1045723877.db2.gz AEVVIAGCNUPKAX-UHFFFAOYSA-N 1 1 338.495 4.324 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1cncc2ccccc21)C[C@H]1CCCO1 ZINC000768162514 1045729637 /nfs/dbraw/zinc/72/96/37/1045729637.db2.gz NIKMVCWLYIPRCN-HXUWFJFHSA-N 1 1 348.446 4.122 20 10 EICDMO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000768163585 1045730178 /nfs/dbraw/zinc/73/01/78/1045730178.db2.gz ZVEQHUUYSRIBMJ-AYBZRNKSSA-N 1 1 341.451 4.290 20 10 EICDMO C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1cc(Cl)ccc1O ZINC000768159434 1045731377 /nfs/dbraw/zinc/73/13/77/1045731377.db2.gz FNWJSXZOBANZFT-UHFFFAOYSA-N 1 1 327.758 4.279 20 10 EICDMO COc1cccc(O)c1C[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000768175774 1045736747 /nfs/dbraw/zinc/73/67/47/1045736747.db2.gz VNYQBKGZUFTXJV-UHFFFAOYSA-N 1 1 326.223 4.340 20 10 EICDMO CCOc1cccc(C[N@@H+](C)Cc2ccccc2C(F)(F)F)c1O ZINC000768229489 1045760092 /nfs/dbraw/zinc/76/00/92/1045760092.db2.gz KZEGRZPIIFHBGB-UHFFFAOYSA-N 1 1 339.357 4.442 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2c2ccc(C)c(C)c2)cc1OC ZINC000768443073 1045806926 /nfs/dbraw/zinc/80/69/26/1045806926.db2.gz OQUIOWYSTXRRPY-GOSISDBHSA-N 1 1 341.451 4.363 20 10 EICDMO COc1cc(O)c(C[N@H+]2C[C@H](c3ccccc3C)C[C@H]2C)cc1OC ZINC000768444391 1045807520 /nfs/dbraw/zinc/80/75/20/1045807520.db2.gz AQXZAYXHVKNPLV-HZPDHXFCSA-N 1 1 341.451 4.096 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2CCc2ccccc2)cc1OC ZINC000768443861 1045807683 /nfs/dbraw/zinc/80/76/83/1045807683.db2.gz VIKCOFLUCICKCO-GOSISDBHSA-N 1 1 341.451 4.007 20 10 EICDMO COc1cc(O)c(C[N@@H+](C)[C@@H](c2ccccc2)C(C)C)cc1OC ZINC000768445096 1045807846 /nfs/dbraw/zinc/80/78/46/1045807846.db2.gz FKCLQNNWVIRPKY-HXUWFJFHSA-N 1 1 329.440 4.239 20 10 EICDMO COc1cc(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)c(O)cc1C ZINC000768461808 1045811104 /nfs/dbraw/zinc/81/11/04/1045811104.db2.gz FGKSTNSRZLSFKQ-HNNXBMFYSA-N 1 1 347.842 4.016 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2c2cc(C)ccc2C)cc1OC ZINC000768462088 1045811481 /nfs/dbraw/zinc/81/14/81/1045811481.db2.gz JBZUNPBDCIEUSF-GOSISDBHSA-N 1 1 341.451 4.363 20 10 EICDMO COC[C@@H]1CCCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000768541231 1045817621 /nfs/dbraw/zinc/81/76/21/1045817621.db2.gz LSTCUTABQXQFHP-QGZVFWFLSA-N 1 1 325.452 4.308 20 10 EICDMO COC[C@H]1CCCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000768541224 1045818167 /nfs/dbraw/zinc/81/81/67/1045818167.db2.gz LSTCUTABQXQFHP-KRWDZBQOSA-N 1 1 325.452 4.308 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)cc1C ZINC000763337013 1045828630 /nfs/dbraw/zinc/82/86/30/1045828630.db2.gz VCJXFMXZJKDLOT-HXUWFJFHSA-N 1 1 329.415 4.030 20 10 EICDMO CCC[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)Cc1ccccc1O ZINC000768664154 1045829029 /nfs/dbraw/zinc/82/90/29/1045829029.db2.gz MHZWFWWTAJORLR-UHFFFAOYSA-N 1 1 341.451 4.450 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000792156655 1045867452 /nfs/dbraw/zinc/86/74/52/1045867452.db2.gz JVWVMXYBAWONPZ-IBGZPJMESA-N 1 1 349.833 4.130 20 10 EICDMO C[N@@H+](Cc1cc(F)ccc1O)Cc1ccc(F)cc1Br ZINC000792193480 1045876784 /nfs/dbraw/zinc/87/67/84/1045876784.db2.gz XAQAUWNDJMMMTC-UHFFFAOYSA-N 1 1 342.183 4.065 20 10 EICDMO C[N@H+](Cc1cc(F)ccc1O)Cc1ccc(F)cc1Br ZINC000792193480 1045876791 /nfs/dbraw/zinc/87/67/91/1045876791.db2.gz XAQAUWNDJMMMTC-UHFFFAOYSA-N 1 1 342.183 4.065 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c1 ZINC000792191354 1045877209 /nfs/dbraw/zinc/87/72/09/1045877209.db2.gz YXODXOKOYHHVDM-HNNXBMFYSA-N 1 1 331.378 4.201 20 10 EICDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000769147177 1045880448 /nfs/dbraw/zinc/88/04/48/1045880448.db2.gz BSSXLLWHQBXTEW-HOTGVXAUSA-N 1 1 336.907 4.132 20 10 EICDMO CCC[N@@H+](Cc1ccc(OCC)c(OC)c1)Cc1ccccc1O ZINC000769200612 1045892059 /nfs/dbraw/zinc/89/20/59/1045892059.db2.gz CJYLUEGHWVHUQE-UHFFFAOYSA-N 1 1 329.440 4.212 20 10 EICDMO COc1cccc(C[N@@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1O ZINC000769212747 1045895840 /nfs/dbraw/zinc/89/58/40/1045895840.db2.gz RJZSRGOSDUUKMV-RXVVDRJESA-N 1 1 341.451 4.001 20 10 EICDMO CCOc1cccc(C[N@@H+](C)Cc2cc(C)c(OC)c(C)c2)c1O ZINC000769234847 1045897805 /nfs/dbraw/zinc/89/78/05/1045897805.db2.gz XMBTVESGKPTBMP-UHFFFAOYSA-N 1 1 329.440 4.048 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000769329503 1045924847 /nfs/dbraw/zinc/92/48/47/1045924847.db2.gz LYKSLFZNVMJEPZ-NRFANRHFSA-N 1 1 336.479 4.119 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000769329503 1045924838 /nfs/dbraw/zinc/92/48/38/1045924838.db2.gz LYKSLFZNVMJEPZ-NRFANRHFSA-N 1 1 336.479 4.119 20 10 EICDMO CN(C)c1ccccc1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000744398800 1045940093 /nfs/dbraw/zinc/94/00/93/1045940093.db2.gz ZXHVHMBOLQSZAY-UHFFFAOYSA-N 1 1 336.435 4.254 20 10 EICDMO CCc1nn(C)c(CC)c1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000769389624 1045946896 /nfs/dbraw/zinc/94/68/96/1045946896.db2.gz SBDJZERBQBAIDQ-UHFFFAOYSA-N 1 1 341.499 4.195 20 10 EICDMO Cc1ccc(O)c(C[N@@H+](CC(C)C)C[C@@H](O)c2ccc(F)cc2)c1 ZINC000769447560 1045974889 /nfs/dbraw/zinc/97/48/89/1045974889.db2.gz YCVCNRLIBIDXBY-HXUWFJFHSA-N 1 1 331.431 4.031 20 10 EICDMO C[N@@H+](CCC1CCOCC1)Cc1cc(-c2ccccc2)ccc1O ZINC000769468206 1045982284 /nfs/dbraw/zinc/98/22/84/1045982284.db2.gz CRNUGGUFPHKCIP-UHFFFAOYSA-N 1 1 325.452 4.308 20 10 EICDMO CCOc1cccc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)c1O ZINC000769512731 1046003660 /nfs/dbraw/zinc/00/36/60/1046003660.db2.gz PKYIFVYPYVEONB-MRXNPFEDSA-N 1 1 343.492 4.405 20 10 EICDMO COc1cccc(O)c1C[N@@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000769533876 1046008707 /nfs/dbraw/zinc/00/87/07/1046008707.db2.gz QRTYKZNMEXFYNY-CYBMUJFWSA-N 1 1 334.485 4.482 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000769531479 1046009692 /nfs/dbraw/zinc/00/96/92/1046009692.db2.gz BJSGELISPQMJGC-INIZCTEOSA-N 1 1 347.842 4.098 20 10 EICDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2cccc(OC(C)C)c2)c1 ZINC000769536743 1046012308 /nfs/dbraw/zinc/01/23/08/1046012308.db2.gz DMEMYMJVAYMGND-UHFFFAOYSA-N 1 1 329.440 4.210 20 10 EICDMO CC(C)(C)c1ncc2c(n1)CC[N@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000529641292 1046018479 /nfs/dbraw/zinc/01/84/79/1046018479.db2.gz LEZWUIVCKWXUHU-UHFFFAOYSA-N 1 1 347.462 4.191 20 10 EICDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792823176 1046073369 /nfs/dbraw/zinc/07/33/69/1046073369.db2.gz QATPDWGHFDAFCV-AWEZNQCLSA-N 1 1 344.421 4.020 20 10 EICDMO C[C@@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1ccc(F)cc1O ZINC000769984798 1046122377 /nfs/dbraw/zinc/12/23/77/1046122377.db2.gz DTLIGEUMFCRNGL-GFCCVEGCSA-N 1 1 330.378 4.055 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1C(C)C ZINC000772828683 1046163013 /nfs/dbraw/zinc/16/30/13/1046163013.db2.gz PFAGSLWRNNNNGB-LAUBAEHRSA-N 1 1 342.527 4.273 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1C(C)C ZINC000772828683 1046163019 /nfs/dbraw/zinc/16/30/19/1046163019.db2.gz PFAGSLWRNNNNGB-LAUBAEHRSA-N 1 1 342.527 4.273 20 10 EICDMO CCCN(CCC)c1ccc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000770279179 1046167391 /nfs/dbraw/zinc/16/73/91/1046167391.db2.gz GFIQKRNJDHDJJP-WOJBJXKFSA-N 1 1 348.556 4.019 20 10 EICDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000793232307 1046179892 /nfs/dbraw/zinc/17/98/92/1046179892.db2.gz VKVDNABUTOFPLE-RHSMWYFYSA-N 1 1 326.406 4.450 20 10 EICDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000793232309 1046180025 /nfs/dbraw/zinc/18/00/25/1046180025.db2.gz VKVDNABUTOFPLE-WMLDXEAASA-N 1 1 326.406 4.450 20 10 EICDMO OCCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccccc1O ZINC000770510020 1046209297 /nfs/dbraw/zinc/20/92/97/1046209297.db2.gz VPEJZVKLQCHHTC-UHFFFAOYSA-N 1 1 340.250 4.084 20 10 EICDMO Oc1ccccc1C[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000770506135 1046210699 /nfs/dbraw/zinc/21/06/99/1046210699.db2.gz UGMHGANRJBYARS-OAHLLOKOSA-N 1 1 331.843 4.337 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1csc(Br)c1)C1CC1 ZINC000770504303 1046210614 /nfs/dbraw/zinc/21/06/14/1046210614.db2.gz CSHJCADHCFMZBA-UHFFFAOYSA-N 1 1 338.270 4.381 20 10 EICDMO COc1cc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c(O)c(C(C)(C)C)c1 ZINC000793528553 1046259938 /nfs/dbraw/zinc/25/99/38/1046259938.db2.gz LCFJINIYTXSQPF-MAUKXSAKSA-N 1 1 339.426 4.175 20 10 EICDMO CCOCC[N@@H+](C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000772373777 1046628387 /nfs/dbraw/zinc/62/83/87/1046628387.db2.gz FEERAZHMXZRYGN-UHFFFAOYSA-N 1 1 340.427 4.009 20 10 EICDMO CCOCC[N@H+](C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000772373777 1046628368 /nfs/dbraw/zinc/62/83/68/1046628368.db2.gz FEERAZHMXZRYGN-UHFFFAOYSA-N 1 1 340.427 4.009 20 10 EICDMO COc1ccc(N2CCC[N@H+]([C@@H](C)c3ccccc3F)CC2)cc1 ZINC000917088510 1046674322 /nfs/dbraw/zinc/67/43/22/1046674322.db2.gz ZXLWYVDQXLLPNN-INIZCTEOSA-N 1 1 328.431 4.108 20 10 EICDMO Cc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)c1Br ZINC000786946787 1046883784 /nfs/dbraw/zinc/88/37/84/1046883784.db2.gz UVSXZSXNRXNEBO-NSHDSACASA-N 1 1 338.220 4.453 20 10 EICDMO CCOc1cccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1O ZINC000154464275 1047028473 /nfs/dbraw/zinc/02/84/73/1047028473.db2.gz PALPHQUKAYVQRI-UHFFFAOYSA-N 1 1 344.411 4.110 20 10 EICDMO CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806127842 1047147980 /nfs/dbraw/zinc/14/79/80/1047147980.db2.gz KBBSAZCMCOVDBQ-OAHLLOKOSA-N 1 1 331.287 4.224 20 10 EICDMO CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806131122 1047155376 /nfs/dbraw/zinc/15/53/76/1047155376.db2.gz GOGRYKFUGFLXFD-NHYWBVRUSA-N 1 1 331.287 4.082 20 10 EICDMO CC[C@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1ccc(F)cc1O ZINC000806177013 1047162109 /nfs/dbraw/zinc/16/21/09/1047162109.db2.gz RXHBATIXPDOBOD-DLBZAZTESA-N 1 1 337.822 4.349 20 10 EICDMO Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)c1 ZINC000788670117 1047267911 /nfs/dbraw/zinc/26/79/11/1047267911.db2.gz RQUCEJCZFOGYES-BLLLJJGKSA-N 1 1 339.357 4.104 20 10 EICDMO C[C@H]([NH2+]CCC[C@@H]1CCCC[C@@H]1O)c1cccc(C(F)(F)F)c1O ZINC000788672885 1047270044 /nfs/dbraw/zinc/27/00/44/1047270044.db2.gz SSVZDGDXWCQIEN-XEZPLFJOSA-N 1 1 345.405 4.393 20 10 EICDMO COc1cnccc1[C@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788756177 1047288486 /nfs/dbraw/zinc/28/84/86/1047288486.db2.gz HRVJYPBYDZFGAP-WDEREUQCSA-N 1 1 340.345 4.226 20 10 EICDMO COc1ccc(-n2c(C)cc(C[N@@H+](C)Cc3cccnc3)c2C)cc1 ZINC000746894164 1047560285 /nfs/dbraw/zinc/56/02/85/1047560285.db2.gz FQJVXBDYODBQKZ-UHFFFAOYSA-N 1 1 335.451 4.130 20 10 EICDMO CSC[C@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000814178897 1047869262 /nfs/dbraw/zinc/86/92/62/1047869262.db2.gz IAZQSNKYMUKXMN-LBPRGKRZSA-N 1 1 344.318 4.038 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1F ZINC000814170024 1047872232 /nfs/dbraw/zinc/87/22/32/1047872232.db2.gz QGGFVFHQKNIBCW-DLBZAZTESA-N 1 1 326.406 4.149 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)Cc1cncc(Br)c1C ZINC000824649182 1047894641 /nfs/dbraw/zinc/89/46/41/1047894641.db2.gz AYYJIAOXWFHBAC-UHFFFAOYSA-N 1 1 349.272 4.270 20 10 EICDMO CO[C@@H]1CC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C[C@@H]1C ZINC000824820432 1047956903 /nfs/dbraw/zinc/95/69/03/1047956903.db2.gz FSIJACZBIXBFSZ-OXJNMPFZSA-N 1 1 344.524 4.241 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000825196560 1048054890 /nfs/dbraw/zinc/05/48/90/1048054890.db2.gz JKHVTFKCFFNQQC-UHFFFAOYSA-N 1 1 349.833 4.066 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1O ZINC000808793483 1048112913 /nfs/dbraw/zinc/11/29/13/1048112913.db2.gz HJTNWBCWPWDKJD-XBXGTLAGSA-N 1 1 347.352 4.287 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1O ZINC000808793483 1048112925 /nfs/dbraw/zinc/11/29/25/1048112925.db2.gz HJTNWBCWPWDKJD-XBXGTLAGSA-N 1 1 347.352 4.287 20 10 EICDMO CCc1cc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000919941349 1048323414 /nfs/dbraw/zinc/32/34/14/1048323414.db2.gz XWRDVQJNRWZJKA-INIZCTEOSA-N 1 1 331.500 4.253 20 10 EICDMO Cc1cc(C[NH2+][C@@H](COCC(C)C)c2ccco2)ccc1N(C)C ZINC000815089017 1048326766 /nfs/dbraw/zinc/32/67/66/1048326766.db2.gz IYNUTTOLCDOOBE-SFHVURJKSA-N 1 1 330.472 4.158 20 10 EICDMO CCOc1cccc(C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)c1O ZINC000155159331 1048382476 /nfs/dbraw/zinc/38/24/76/1048382476.db2.gz KCBUFHCUQIEHAF-GOSISDBHSA-N 1 1 327.424 4.137 20 10 EICDMO C[C@@H]1C[C@@H](N2CCCC2)C[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000809704178 1048486300 /nfs/dbraw/zinc/48/63/00/1048486300.db2.gz WMSDRLNCROIGNQ-DYESRHJHSA-N 1 1 336.479 4.118 20 10 EICDMO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(-c2ccccc2)ccc1O ZINC000809704178 1048486308 /nfs/dbraw/zinc/48/63/08/1048486308.db2.gz WMSDRLNCROIGNQ-DYESRHJHSA-N 1 1 336.479 4.118 20 10 EICDMO CCn1cc(C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C(C)C)cn1 ZINC000844737448 1048495776 /nfs/dbraw/zinc/49/57/76/1048495776.db2.gz DATMZCJFZZGDHN-UHFFFAOYSA-N 1 1 345.487 4.022 20 10 EICDMO C[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000809716004 1048497377 /nfs/dbraw/zinc/49/73/77/1048497377.db2.gz PGELWEISHJWUKH-PGRDOPGGSA-N 1 1 336.479 4.106 20 10 EICDMO COc1cccc(C[N@@H+](CCc2ccccc2)Cc2cccnc2)c1O ZINC000809735775 1048508652 /nfs/dbraw/zinc/50/86/52/1048508652.db2.gz SAYWEJBVVKBPJV-UHFFFAOYSA-N 1 1 348.446 4.041 20 10 EICDMO COc1cccc(O)c1C[N@@H+](CCc1ccccc1)Cc1ccncc1 ZINC000809736893 1048510133 /nfs/dbraw/zinc/51/01/33/1048510133.db2.gz MYDYIBZTAWRSQV-UHFFFAOYSA-N 1 1 348.446 4.041 20 10 EICDMO C[C@@H]([NH2+][C@H]1CCc2c1cccc2O)c1cccc(C(F)(F)F)c1O ZINC000815576283 1048516676 /nfs/dbraw/zinc/51/66/76/1048516676.db2.gz NNSQXEHOCZWWJY-BMIGLBTASA-N 1 1 337.341 4.455 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(O)cc2)c(C(F)(F)F)c1 ZINC000809753938 1048519929 /nfs/dbraw/zinc/51/99/29/1048519929.db2.gz WUGDWALIXITUNR-UHFFFAOYSA-N 1 1 338.373 4.109 20 10 EICDMO C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1cccc(C(F)(F)F)c1O ZINC000815585333 1048523560 /nfs/dbraw/zinc/52/35/60/1048523560.db2.gz DVKZQPOORLKATP-PJODQICGSA-N 1 1 331.378 4.003 20 10 EICDMO CC1(C)C[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1c1cccs1 ZINC000809782936 1048531538 /nfs/dbraw/zinc/53/15/38/1048531538.db2.gz LUVWKXWBDHKHNQ-IBGZPJMESA-N 1 1 342.508 4.168 20 10 EICDMO CCOc1cccc(C[N@@H+](C)[C@@H](CC)c2cccc(OC)c2)c1O ZINC000809784136 1048531857 /nfs/dbraw/zinc/53/18/57/1048531857.db2.gz RJWDCZJBXYCJOO-SFHVURJKSA-N 1 1 329.440 4.383 20 10 EICDMO C[C@H]([NH2+]CCSCC(F)(F)F)c1cccc(C(F)(F)F)c1O ZINC000815600298 1048532035 /nfs/dbraw/zinc/53/20/35/1048532035.db2.gz PPGKXFGEQMXEHG-QMMMGPOBSA-N 1 1 347.324 4.357 20 10 EICDMO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccc(C(F)(F)F)c1O ZINC000815600055 1048533111 /nfs/dbraw/zinc/53/31/11/1048533111.db2.gz KMRQSCZQXDMYIT-PBXWNFIWSA-N 1 1 341.373 4.019 20 10 EICDMO C[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1cccc(C(F)(F)F)c1O ZINC000815628007 1048551451 /nfs/dbraw/zinc/55/14/51/1048551451.db2.gz OYKQJHCPVHDWSA-NSHDSACASA-N 1 1 349.356 4.149 20 10 EICDMO COCC1(CC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)CCC1 ZINC000815641890 1048568035 /nfs/dbraw/zinc/56/80/35/1048568035.db2.gz LDOLPHBTXFHHAJ-GFCCVEGCSA-N 1 1 331.378 4.268 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)c1cc[nH]c(=O)c1 ZINC000815642826 1048568638 /nfs/dbraw/zinc/56/86/38/1048568638.db2.gz MYMXQXVHSAIUEH-BDAKNGLRSA-N 1 1 327.211 4.211 20 10 EICDMO CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](CC)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000810212445 1048682394 /nfs/dbraw/zinc/68/23/94/1048682394.db2.gz BCUAUCKZNUHZJU-CJNGLKHVSA-N 1 1 344.421 4.184 20 10 EICDMO CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000810212445 1048682397 /nfs/dbraw/zinc/68/23/97/1048682397.db2.gz BCUAUCKZNUHZJU-CJNGLKHVSA-N 1 1 344.421 4.184 20 10 EICDMO CC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810235234 1048700409 /nfs/dbraw/zinc/70/04/09/1048700409.db2.gz NCJYUFDHSHIXNT-OAHLLOKOSA-N 1 1 344.421 4.184 20 10 EICDMO CC[C@@]1(C[NH2+][C@@H](C)c2ccc(F)cc2O)OCCc2ccccc21 ZINC000810243777 1048727839 /nfs/dbraw/zinc/72/78/39/1048727839.db2.gz UEHKQEQFHLNIEK-XOBRGWDASA-N 1 1 329.415 4.060 20 10 EICDMO COc1ccccc1OCC[N@@H+](C)Cc1ccc2ccccc2c1O ZINC000816491887 1048814824 /nfs/dbraw/zinc/81/48/24/1048814824.db2.gz BICYGZBJAVFYNA-UHFFFAOYSA-N 1 1 337.419 4.065 20 10 EICDMO Oc1c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)ccc2ccccc21 ZINC000816520377 1048820423 /nfs/dbraw/zinc/82/04/23/1048820423.db2.gz NSDCZPNYXUPWNL-MJGOQNOKSA-N 1 1 337.419 4.227 20 10 EICDMO [O-]c1c(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)ccc2ccccc21 ZINC000816530330 1048824346 /nfs/dbraw/zinc/82/43/46/1048824346.db2.gz DQXUCNIKNWUILX-UHFFFAOYSA-N 1 1 346.474 4.431 20 10 EICDMO C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816534980 1048825282 /nfs/dbraw/zinc/82/52/82/1048825282.db2.gz BCTCLGYIFSTHPX-KRWDZBQOSA-N 1 1 326.484 4.290 20 10 EICDMO C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816534980 1048825291 /nfs/dbraw/zinc/82/52/91/1048825291.db2.gz BCTCLGYIFSTHPX-KRWDZBQOSA-N 1 1 326.484 4.290 20 10 EICDMO C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816534981 1048826245 /nfs/dbraw/zinc/82/62/45/1048826245.db2.gz BCTCLGYIFSTHPX-QGZVFWFLSA-N 1 1 326.484 4.290 20 10 EICDMO C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816534981 1048826248 /nfs/dbraw/zinc/82/62/48/1048826248.db2.gz BCTCLGYIFSTHPX-QGZVFWFLSA-N 1 1 326.484 4.290 20 10 EICDMO C[C@H]([NH2+]Cc1ccc2ccccc2c1O)c1nc(C(C)(C)C)no1 ZINC000816590974 1048832227 /nfs/dbraw/zinc/83/22/27/1048832227.db2.gz QETPAHUVUBKUOG-LBPRGKRZSA-N 1 1 325.412 4.077 20 10 EICDMO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccc1-n1cccn1 ZINC000816556731 1048834588 /nfs/dbraw/zinc/83/45/88/1048834588.db2.gz SNOSJXHOJUDCCY-LBPRGKRZSA-N 1 1 345.805 4.221 20 10 EICDMO CO[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816560765 1048836062 /nfs/dbraw/zinc/83/60/62/1048836062.db2.gz ZURIGXPQDNQEEH-BTDLBPIBSA-N 1 1 341.785 4.190 20 10 EICDMO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816570698 1048838509 /nfs/dbraw/zinc/83/85/09/1048838509.db2.gz DPNHNDUAHIIIEO-UHFFFAOYSA-N 1 1 347.821 4.096 20 10 EICDMO C[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000846188555 1048838521 /nfs/dbraw/zinc/83/85/21/1048838521.db2.gz QBLSZAGECLCTAD-BDJLRTHQSA-N 1 1 343.389 4.267 20 10 EICDMO OCC1([C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)c2ccccc2)CCC1 ZINC000816631617 1048851955 /nfs/dbraw/zinc/85/19/55/1048851955.db2.gz XYYJLWOUPMRMOM-GOSISDBHSA-N 1 1 349.833 4.178 20 10 EICDMO CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817414364 1048963155 /nfs/dbraw/zinc/96/31/55/1048963155.db2.gz XIRBMINPFLZUAB-XUJLQICISA-N 1 1 344.421 4.325 20 10 EICDMO CC[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)s1 ZINC000817942783 1049061358 /nfs/dbraw/zinc/06/13/58/1049061358.db2.gz QYNUEXOVBKSRNM-HUUCEWRRSA-N 1 1 337.920 4.208 20 10 EICDMO CC[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)s1 ZINC000817942785 1049062579 /nfs/dbraw/zinc/06/25/79/1049062579.db2.gz QYNUEXOVBKSRNM-LSDHHAIUSA-N 1 1 337.920 4.208 20 10 EICDMO CC1(C)C[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@H]1[C@H]1CCCO1 ZINC000811510866 1049122645 /nfs/dbraw/zinc/12/26/45/1049122645.db2.gz QJFAFQZYLUKZDF-UXHICEINSA-N 1 1 328.500 4.066 20 10 EICDMO Oc1ccc2ccccc2c1C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000811512382 1049122924 /nfs/dbraw/zinc/12/29/24/1049122924.db2.gz CJTPUNOUVIZNSD-LJQANCHMSA-N 1 1 344.458 4.182 20 10 EICDMO CC1(C)C[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H]1[C@H]1CCCO1 ZINC000811510868 1049124881 /nfs/dbraw/zinc/12/48/81/1049124881.db2.gz QJFAFQZYLUKZDF-WOJBJXKFSA-N 1 1 328.500 4.066 20 10 EICDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3cc4oc5ccccc5c4cc3O)C2)c1 ZINC000811800155 1049270853 /nfs/dbraw/zinc/27/08/53/1049270853.db2.gz KVOJZIBCFUBRJF-MRXNPFEDSA-N 1 1 347.418 4.244 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCc3c(F)cc(F)cc3C2)cc1 ZINC001171381962 1049576743 /nfs/dbraw/zinc/57/67/43/1049576743.db2.gz IIQMGBVVXDVKIQ-GOSISDBHSA-N 1 1 330.422 4.020 20 10 EICDMO Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000747831754 1049658403 /nfs/dbraw/zinc/65/84/03/1049658403.db2.gz SHNYJGVTHRTCHH-DLBZAZTESA-N 1 1 331.500 4.247 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CCC[C@@]2(C)Cc2cccc(F)c2)cc1 ZINC001171426456 1049666949 /nfs/dbraw/zinc/66/69/49/1049666949.db2.gz MJGJCHQIOUWLEC-NRFANRHFSA-N 1 1 326.459 4.489 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c(Cl)c1 ZINC000822530167 1049768337 /nfs/dbraw/zinc/76/83/37/1049768337.db2.gz SGUUABDZRXOFCG-GOSISDBHSA-N 1 1 335.875 4.135 20 10 EICDMO COc1ccc(N(C)CC[N@@H+](C)Cc2ccccc2C(C)C)cc1 ZINC001171729018 1049784722 /nfs/dbraw/zinc/78/47/22/1049784722.db2.gz DYMMVIXWGGPUQV-UHFFFAOYSA-N 1 1 326.484 4.387 20 10 EICDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cccc(Cl)c2F)cc1 ZINC001171730193 1049786175 /nfs/dbraw/zinc/78/61/75/1049786175.db2.gz RZEUCLOONKCCIV-UHFFFAOYSA-N 1 1 336.838 4.056 20 10 EICDMO CC[C@H]([NH2+][C@@H](C)[C@@H]1OCCc2sccc21)c1ccc(F)cc1O ZINC000813884505 1049831887 /nfs/dbraw/zinc/83/18/87/1049831887.db2.gz IYRKWUSRRSLJGG-GYOIFBIXSA-N 1 1 335.444 4.336 20 10 EICDMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C(C)(C)C1)c1ccccc1O ZINC001171983389 1049838696 /nfs/dbraw/zinc/83/86/96/1049838696.db2.gz NPJNSUDQKJFVNZ-PKOBYXMFSA-N 1 1 338.495 4.486 20 10 EICDMO CC[C@H](C)OCC[C@H](C)[N@H+]1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001172338083 1049888043 /nfs/dbraw/zinc/88/80/43/1049888043.db2.gz ACYNOFJHYNKIIU-HOTGVXAUSA-N 1 1 344.499 4.139 20 10 EICDMO C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001172873602 1050212331 /nfs/dbraw/zinc/21/23/31/1050212331.db2.gz VLUYWKUTOOXRDI-GFCCVEGCSA-N 1 1 349.833 4.270 20 10 EICDMO C[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)Oc1cccc(Cl)c1 ZINC001177929090 1050337646 /nfs/dbraw/zinc/33/76/46/1050337646.db2.gz RYUOWFBYZYDPDY-JTQLQIEISA-N 1 1 344.213 4.395 20 10 EICDMO CCCOc1cccc(CC[NH2+]Cc2c(O)ccc(Cl)c2F)c1 ZINC001178237262 1050422041 /nfs/dbraw/zinc/42/20/41/1050422041.db2.gz AJFFQDRWXQFMME-UHFFFAOYSA-N 1 1 337.822 4.306 20 10 EICDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2ncc(-c3ccccc3F)o2)c1 ZINC000182370370 1050628795 /nfs/dbraw/zinc/62/87/95/1050628795.db2.gz AFXWURQXZJVAMK-LBPRGKRZSA-N 1 1 342.370 4.046 20 10 EICDMO C[C@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001179877338 1050812397 /nfs/dbraw/zinc/81/23/97/1050812397.db2.gz CSAIVWREVVPJON-CQSZACIVSA-N 1 1 348.849 4.064 20 10 EICDMO COc1cc(C)cc(C[N@@H+](C)[C@@H](C)Cc2ccc(Cl)cc2)c1O ZINC001179938420 1050822903 /nfs/dbraw/zinc/82/29/03/1050822903.db2.gz URIZLWXQHIWIAR-AWEZNQCLSA-N 1 1 333.859 4.426 20 10 EICDMO CC[C@H]1CCCC[C@H]1C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC001179969929 1050835935 /nfs/dbraw/zinc/83/59/35/1050835935.db2.gz PLZCYWKSARZUHB-OALUTQOASA-N 1 1 330.516 4.424 20 10 EICDMO COCC[N@@H+](Cc1ccc(C)cc1C)Cc1ccc(N(C)C)cc1C ZINC001180011897 1050854953 /nfs/dbraw/zinc/85/49/53/1050854953.db2.gz SWWQFHLTCQVINN-UHFFFAOYSA-N 1 1 340.511 4.326 20 10 EICDMO CCc1cccc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1O ZINC001180030982 1050859607 /nfs/dbraw/zinc/85/96/07/1050859607.db2.gz RTOCFUXICHEURV-QZTJIDSGSA-N 1 1 330.516 4.041 20 10 EICDMO CCc1cccc(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1O ZINC001180030982 1050859612 /nfs/dbraw/zinc/85/96/12/1050859612.db2.gz RTOCFUXICHEURV-QZTJIDSGSA-N 1 1 330.516 4.041 20 10 EICDMO COC(=O)c1c(C[N@@H+](C)C2CCC(C)CC2)c2cc(F)ccc2n1C ZINC001180108485 1050888642 /nfs/dbraw/zinc/88/86/42/1050888642.db2.gz RRJIIPBFRSUZQF-UHFFFAOYSA-N 1 1 346.446 4.115 20 10 EICDMO COc1ccc(C[C@@H]2CC[N@H+]2C/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001180115665 1050890447 /nfs/dbraw/zinc/89/04/47/1050890447.db2.gz BMQLVOIZPJCJBF-FNEOHHHZSA-N 1 1 336.479 4.091 20 10 EICDMO CCc1cccc(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)c1O ZINC001180154802 1050902955 /nfs/dbraw/zinc/90/29/55/1050902955.db2.gz XQAVJOXADSLTKY-UZLBHIALSA-N 1 1 325.452 4.225 20 10 EICDMO C[N@@H+](Cc1ccoc1)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001180158651 1050904795 /nfs/dbraw/zinc/90/47/95/1050904795.db2.gz ZMFLIKIHZOQTLW-UHFFFAOYSA-N 1 1 332.447 4.474 20 10 EICDMO OC1CCN(c2ccc(C[N@@H+](CC3CCCCC3)C3CC3)cc2)CC1 ZINC001180161527 1050905941 /nfs/dbraw/zinc/90/59/41/1050905941.db2.gz GBRRTYJREMVMTP-UHFFFAOYSA-N 1 1 342.527 4.192 20 10 EICDMO Cc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC001180288128 1050955474 /nfs/dbraw/zinc/95/54/74/1050955474.db2.gz BPWMAQZKVNUSNK-AWEZNQCLSA-N 1 1 346.268 4.453 20 10 EICDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(OC2CC2)c1F ZINC001180479710 1051000884 /nfs/dbraw/zinc/00/08/84/1051000884.db2.gz QYGGZSHUGQVQQG-UHFFFAOYSA-N 1 1 342.458 4.455 20 10 EICDMO CCc1nn(C)cc1C[N@@H+](Cc1ccccc1O)C1CCCCC1 ZINC000183443007 1051124341 /nfs/dbraw/zinc/12/43/41/1051124341.db2.gz KURFOOXCQHIBGL-UHFFFAOYSA-N 1 1 327.472 4.023 20 10 EICDMO CC[N@@H+](CCC1CC[NH+](Cc2cccc(F)c2[O-])CC1)CC(C)C ZINC001181515039 1051238222 /nfs/dbraw/zinc/23/82/22/1051238222.db2.gz QCKIGZXDEDXKQO-UHFFFAOYSA-N 1 1 336.495 4.111 20 10 EICDMO CCC[N@@H+](Cc1ccc(N(C)CC)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC001191174127 1051373782 /nfs/dbraw/zinc/37/37/82/1051373782.db2.gz MSZDVHZEXIPMAW-ZCNNSNEGSA-N 1 1 330.516 4.168 20 10 EICDMO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(Br)ccc1O ZINC000809766023 1051442199 /nfs/dbraw/zinc/44/21/99/1051442199.db2.gz SJKLGFPAZVRBMB-HNNXBMFYSA-N 1 1 335.245 4.133 20 10 EICDMO C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1cc(Cl)c(Cl)cc1O ZINC000774186783 1051507502 /nfs/dbraw/zinc/50/75/02/1051507502.db2.gz CWFIJZMSLJQYHX-DIFFPNOSSA-N 1 1 340.250 4.257 20 10 EICDMO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cc(Cl)c(Cl)cc1O ZINC000774271298 1051541298 /nfs/dbraw/zinc/54/12/98/1051541298.db2.gz IOLAIGPHQILJRY-VCXDHIOWSA-N 1 1 342.266 4.307 20 10 EICDMO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1nc(-c2cccs2)no1 ZINC000774480486 1051610644 /nfs/dbraw/zinc/61/06/44/1051610644.db2.gz CFMRRNKYRGUGRM-STQMWFEESA-N 1 1 342.468 4.276 20 10 EICDMO Cc1ccc(C[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)c(O)c1 ZINC001183137149 1051798108 /nfs/dbraw/zinc/79/81/08/1051798108.db2.gz PABFFKIBQKWOJE-IBGZPJMESA-N 1 1 338.451 4.016 20 10 EICDMO C[C@H]1Cc2ccc(Br)cc2C[N@H+]1Cc1ccccc1O ZINC001203562312 1051816474 /nfs/dbraw/zinc/81/64/74/1051816474.db2.gz HSILNBGHSWCHEL-LBPRGKRZSA-N 1 1 332.241 4.102 20 10 EICDMO Oc1cc(Br)ccc1C[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC001183427934 1051841499 /nfs/dbraw/zinc/84/14/99/1051841499.db2.gz DJSFORAPEXROJV-AWEZNQCLSA-N 1 1 342.183 4.094 20 10 EICDMO Cc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)c(C)c1Br ZINC001183454770 1051847263 /nfs/dbraw/zinc/84/72/63/1051847263.db2.gz NNMBMUWBKAHROD-UHFFFAOYSA-N 1 1 332.241 4.287 20 10 EICDMO Cc1ccc(C[N@H+]2Cc3cccc(O)c3C2)c(C)c1Br ZINC001183454770 1051847269 /nfs/dbraw/zinc/84/72/69/1051847269.db2.gz NNMBMUWBKAHROD-UHFFFAOYSA-N 1 1 332.241 4.287 20 10 EICDMO CC(C)(C)OC(=O)Nc1cccc(C[NH2+]Cc2c(O)cccc2F)c1 ZINC001183919428 1051928387 /nfs/dbraw/zinc/92/83/87/1051928387.db2.gz JVINSBXCCPLKQN-UHFFFAOYSA-N 1 1 346.402 4.168 20 10 EICDMO Cc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)ccc1N1CCCCC1 ZINC001194306892 1052125279 /nfs/dbraw/zinc/12/52/79/1052125279.db2.gz MXRLJKBIUUXHPJ-NHCUHLMSSA-N 1 1 328.500 4.129 20 10 EICDMO COc1c(O)c(C[N@H+](Cc2ccccc2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000774821778 1052171013 /nfs/dbraw/zinc/17/10/13/1052171013.db2.gz SNSSFZLKTDZGAD-UHFFFAOYSA-N 1 1 344.411 4.110 20 10 EICDMO COc1c(O)c(C[N@@H+](Cc2ccccc2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000774821778 1052171019 /nfs/dbraw/zinc/17/10/19/1052171019.db2.gz SNSSFZLKTDZGAD-UHFFFAOYSA-N 1 1 344.411 4.110 20 10 EICDMO CC(C)[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1ccc2c(c1)OCCO2 ZINC000184896401 1052297104 /nfs/dbraw/zinc/29/71/04/1052297104.db2.gz GPQRLCBKMNZICI-ZUOKHONESA-N 1 1 345.414 4.350 20 10 EICDMO C[C@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1ccc(F)cc1O ZINC000184919571 1052309579 /nfs/dbraw/zinc/30/95/79/1052309579.db2.gz UCOCRDSCEWZQEU-KXBFYZLASA-N 1 1 328.431 4.019 20 10 EICDMO C[C@@H]([NH2+]Cc1cccnc1OC1CCCC1)c1ccc(F)cc1O ZINC000185010267 1052360939 /nfs/dbraw/zinc/36/09/39/1052360939.db2.gz UNZBLYAVLXNWAO-CYBMUJFWSA-N 1 1 330.403 4.099 20 10 EICDMO C[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C[NH+]1CCCCC1 ZINC000325126358 1052984893 /nfs/dbraw/zinc/98/48/93/1052984893.db2.gz DAYPZMLTPZFYMW-SJORKVTESA-N 1 1 326.484 4.318 20 10 EICDMO CCCC[N@@H+](Cc1cccc(Br)n1)Cc1ccccc1O ZINC000794542803 1053062876 /nfs/dbraw/zinc/06/28/76/1053062876.db2.gz AAOVHMFAAVRYGD-UHFFFAOYSA-N 1 1 349.272 4.352 20 10 EICDMO CCC[N@@H+](Cc1nc2ccc(OC)cc2s1)Cc1ccccc1O ZINC000775610559 1053115068 /nfs/dbraw/zinc/11/50/68/1053115068.db2.gz QNZRRKLOWJFGHC-UHFFFAOYSA-N 1 1 342.464 4.423 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1cscn1 ZINC000850360112 1053131354 /nfs/dbraw/zinc/13/13/54/1053131354.db2.gz ZVNSPOYVFCNUPM-SNVBAGLBSA-N 1 1 329.391 4.079 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)cc1 ZINC001194884073 1053146838 /nfs/dbraw/zinc/14/68/38/1053146838.db2.gz XFYBJOVWMXREGU-LEWJYISDSA-N 1 1 338.495 4.431 20 10 EICDMO C[C@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)c1ccc(F)cc1O ZINC000850505165 1053266719 /nfs/dbraw/zinc/26/67/19/1053266719.db2.gz NYFFSLAQKSLLKA-BONVTDFDSA-N 1 1 335.341 4.072 20 10 EICDMO CC[C@@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccc(F)cc1O ZINC000850520396 1053277374 /nfs/dbraw/zinc/27/73/74/1053277374.db2.gz AXDQGGNAACMFHR-MRXNPFEDSA-N 1 1 333.378 4.453 20 10 EICDMO COc1ccc(O)c(C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000775643022 1053306033 /nfs/dbraw/zinc/30/60/33/1053306033.db2.gz LGQALBSHHFVZRF-UHFFFAOYSA-N 1 1 326.223 4.340 20 10 EICDMO COCC[N@@H+](Cc1cccs1)Cc1cc(Cl)cc(C)c1O ZINC000775644156 1053310781 /nfs/dbraw/zinc/31/07/81/1053310781.db2.gz DVJFRAPRLPLPFR-UHFFFAOYSA-N 1 1 325.861 4.064 20 10 EICDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1cccc(C)c1O ZINC000775662672 1053437301 /nfs/dbraw/zinc/43/73/01/1053437301.db2.gz VOQJOPWGICRPIA-UHFFFAOYSA-N 1 1 349.478 4.444 20 10 EICDMO COc1cc(O)c(C[N@@H+](Cc2ccc(F)cc2)C(C)(C)C)cc1OC ZINC000775670193 1053473951 /nfs/dbraw/zinc/47/39/51/1053473951.db2.gz VYUKNZXAOFQIRT-UHFFFAOYSA-N 1 1 347.430 4.349 20 10 EICDMO CCOc1ccc(O)c(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000120547583 1053496182 /nfs/dbraw/zinc/49/61/82/1053496182.db2.gz XNCNVYIBTIFTOD-QGZVFWFLSA-N 1 1 347.480 4.034 20 10 EICDMO CC[C@H](CC(F)F)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000851841915 1053523181 /nfs/dbraw/zinc/52/31/81/1053523181.db2.gz ZUMARYQPOJIVDK-GDBMZVCRSA-N 1 1 327.415 4.055 20 10 EICDMO Cc1ccnc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1Br ZINC000865531722 1053540020 /nfs/dbraw/zinc/54/00/20/1053540020.db2.gz MHTJDSHFJDFHRJ-CYBMUJFWSA-N 1 1 348.288 4.069 20 10 EICDMO C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+](C)Cc1ccccc1O ZINC000171926003 1053585642 /nfs/dbraw/zinc/58/56/42/1053585642.db2.gz VYDOGCXRVOPHBU-GFCCVEGCSA-N 1 1 331.366 4.330 20 10 EICDMO Cc1cc(Cl)cc(C[N@H+](C)Cc2nc3c(s2)CCCC3)c1O ZINC000775689696 1053614955 /nfs/dbraw/zinc/61/49/55/1053614955.db2.gz GMEJRXAWKSUZFV-UHFFFAOYSA-N 1 1 336.888 4.321 20 10 EICDMO Cc1cc(Cl)cc(C[N@@H+](C)Cc2nc3c(s2)CCCC3)c1O ZINC000775689696 1053614964 /nfs/dbraw/zinc/61/49/64/1053614964.db2.gz GMEJRXAWKSUZFV-UHFFFAOYSA-N 1 1 336.888 4.321 20 10 EICDMO COc1cc(C)cc(C[N@H+]2CC[C@](C)(c3ccc(F)cc3)C2)c1O ZINC000794891594 1053634452 /nfs/dbraw/zinc/63/44/52/1053634452.db2.gz GYAWGLYDQLUEIP-FQEVSTJZSA-N 1 1 329.415 4.012 20 10 EICDMO CC[N@@H+](Cc1cccc(C)c1O)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000775727506 1053696757 /nfs/dbraw/zinc/69/67/57/1053696757.db2.gz DZWQOPSOLIXWCU-FQEVSTJZSA-N 1 1 338.495 4.045 20 10 EICDMO CC[N@H+](Cc1cccc(C)c1O)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000775727506 1053696766 /nfs/dbraw/zinc/69/67/66/1053696766.db2.gz DZWQOPSOLIXWCU-FQEVSTJZSA-N 1 1 338.495 4.045 20 10 EICDMO Cc1cccc(C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c1O ZINC000775727359 1053697004 /nfs/dbraw/zinc/69/70/04/1053697004.db2.gz CSBJFTAEUWPNBL-UHFFFAOYSA-N 1 1 340.250 4.002 20 10 EICDMO Cc1cccc(C[N@@H+]2CCc3sc(Br)cc3C2)c1O ZINC000775732726 1053718394 /nfs/dbraw/zinc/71/83/94/1053718394.db2.gz ADSUPOHEOJFTTK-UHFFFAOYSA-N 1 1 338.270 4.083 20 10 EICDMO Cc1cccc(C[N@H+]2CCc3sc(Br)cc3C2)c1O ZINC000775732726 1053718404 /nfs/dbraw/zinc/71/84/04/1053718404.db2.gz ADSUPOHEOJFTTK-UHFFFAOYSA-N 1 1 338.270 4.083 20 10 EICDMO COc1ccc([C@H](C)[NH2+]Cc2cccc(Br)c2O)cc1 ZINC000112017905 1053784310 /nfs/dbraw/zinc/78/43/10/1053784310.db2.gz JZKHRVKQOXHLCX-NSHDSACASA-N 1 1 336.229 4.014 20 10 EICDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2ccccc2N2CCCC2)c1 ZINC000121240745 1053827002 /nfs/dbraw/zinc/82/70/02/1053827002.db2.gz AVSMCYYGUCAZDI-UHFFFAOYSA-N 1 1 340.467 4.023 20 10 EICDMO Cc1cc(N(C)C)ccc1C[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000115629506 1054367405 /nfs/dbraw/zinc/36/74/05/1054367405.db2.gz YIOCKXPGHYAEIP-UHFFFAOYSA-N 1 1 337.492 4.474 20 10 EICDMO Cc1cc([O-])c(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(Cl)c1 ZINC001199320970 1054390579 /nfs/dbraw/zinc/39/05/79/1054390579.db2.gz SLCNHSFOWGKFEQ-HOTGVXAUSA-N 1 1 338.923 4.202 20 10 EICDMO CCN(CC)c1ccc(CNC[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001199328707 1054392609 /nfs/dbraw/zinc/39/26/09/1054392609.db2.gz FHRJAPSZOWXEMU-OAQYLSRUSA-N 1 1 331.548 4.133 20 10 EICDMO Cc1cc([O-])c(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(Cl)c1 ZINC001199320980 1054392844 /nfs/dbraw/zinc/39/28/44/1054392844.db2.gz SLCNHSFOWGKFEQ-IYBDPMFKSA-N 1 1 338.923 4.202 20 10 EICDMO Cc1cc([O-])c(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(Cl)c1 ZINC001199320980 1054392854 /nfs/dbraw/zinc/39/28/54/1054392854.db2.gz SLCNHSFOWGKFEQ-IYBDPMFKSA-N 1 1 338.923 4.202 20 10 EICDMO C[C@H](c1ccccc1)[N@H+](CC[C@@H]1CCCN1C)Cc1ccccc1O ZINC000776002537 1054437616 /nfs/dbraw/zinc/43/76/16/1054437616.db2.gz FDLVKUNDHUMBEE-NQIIRXRSSA-N 1 1 338.495 4.440 20 10 EICDMO C[C@H](c1ccccc1)[N@@H+](CC[C@@H]1CCCN1C)Cc1ccccc1O ZINC000776002537 1054437620 /nfs/dbraw/zinc/43/76/20/1054437620.db2.gz FDLVKUNDHUMBEE-NQIIRXRSSA-N 1 1 338.495 4.440 20 10 EICDMO C[C@H](c1ccccc1)N(CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1O ZINC000776002537 1054437625 /nfs/dbraw/zinc/43/76/25/1054437625.db2.gz FDLVKUNDHUMBEE-NQIIRXRSSA-N 1 1 338.495 4.440 20 10 EICDMO C[C@H](c1ccccc1)N(CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1O ZINC000776002537 1054437630 /nfs/dbraw/zinc/43/76/30/1054437630.db2.gz FDLVKUNDHUMBEE-NQIIRXRSSA-N 1 1 338.495 4.440 20 10 EICDMO Cc1cc(C[NH2+]Cc2nccn2C(C)C)c(C)n1-c1cccc(C)c1 ZINC000858292603 1054456220 /nfs/dbraw/zinc/45/62/20/1054456220.db2.gz BLMOIZBZDJBCTQ-UHFFFAOYSA-N 1 1 336.483 4.470 20 10 EICDMO CCN(CC)c1ccc(CNCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1F ZINC001199732838 1054456409 /nfs/dbraw/zinc/45/64/09/1054456409.db2.gz SLSFMAFQMUAYOV-KRWDZBQOSA-N 1 1 349.538 4.272 20 10 EICDMO CCN(CC)c1ccc(CNCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1F ZINC001199732838 1054456413 /nfs/dbraw/zinc/45/64/13/1054456413.db2.gz SLSFMAFQMUAYOV-KRWDZBQOSA-N 1 1 349.538 4.272 20 10 EICDMO COc1cccc([C@@H](C)[NH2+][C@H](CCc2ccccc2)C(F)F)c1O ZINC000858491382 1054498581 /nfs/dbraw/zinc/49/85/81/1054498581.db2.gz GMRBQTYXPJLGME-CZUORRHYSA-N 1 1 335.394 4.318 20 10 EICDMO Cn1c[nH+]c2cc(NCc3cccc(OCc4ccccn4)c3)ccc21 ZINC001201114644 1054666511 /nfs/dbraw/zinc/66/65/11/1054666511.db2.gz KVYLQIAXDHUOOW-UHFFFAOYSA-N 1 1 344.418 4.159 20 10 EICDMO CCN(CC)c1ccc(C[NH2+]Cc2nc(Cl)cs2)cc1F ZINC000877027057 1055003255 /nfs/dbraw/zinc/00/32/55/1055003255.db2.gz IVZFEWSWBIEIPB-UHFFFAOYSA-N 1 1 327.856 4.072 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1ccc2[nH]ccc2c1)C[C@H]1CCCO1 ZINC000862213664 1055029881 /nfs/dbraw/zinc/02/98/81/1055029881.db2.gz RZHSFKWYNXCGQC-LJQANCHMSA-N 1 1 336.435 4.055 20 10 EICDMO c1ccc2c(c1)CO[C@]21CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000186454666 1056367855 /nfs/dbraw/zinc/36/78/55/1056367855.db2.gz ORISGFZUPIEHBI-QHCPKHFHSA-N 1 1 348.490 4.308 20 10 EICDMO Cc1cc(C[N@H+]2CCCC3(CCOCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000742159761 1058536524 /nfs/dbraw/zinc/53/65/24/1058536524.db2.gz VUPMGMZAJXWQNX-UHFFFAOYSA-N 1 1 331.500 4.391 20 10 EICDMO CCCN(CCC)c1ccc(CNC2CC[NH+](C3CCC3)CC2)cc1 ZINC000742718222 1058754322 /nfs/dbraw/zinc/75/43/22/1058754322.db2.gz UVQQWMDLIFIVSJ-UHFFFAOYSA-N 1 1 343.559 4.420 20 10 EICDMO CCCN(CCC)c1ccc(C[NH2+]C2CCN(C3CCC3)CC2)cc1 ZINC000742718222 1058754353 /nfs/dbraw/zinc/75/43/53/1058754353.db2.gz UVQQWMDLIFIVSJ-UHFFFAOYSA-N 1 1 343.559 4.420 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000743870498 1059188819 /nfs/dbraw/zinc/18/88/19/1059188819.db2.gz ULBUCZVBMCVUFI-OAHLLOKOSA-N 1 1 344.430 4.079 20 10 EICDMO CCN(C)c1ccc(C[N@@H+](Cc2ccccc2)C[C@@](C)(O)CC)cc1 ZINC001169394945 1060805461 /nfs/dbraw/zinc/80/54/61/1060805461.db2.gz AYVOMHPFFYVJIK-QFIPXVFZSA-N 1 1 340.511 4.306 20 10 EICDMO Oc1ccccc1C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000179582607 1032563494 /nfs/dbraw/zinc/56/34/94/1032563494.db2.gz NAPYVZXWIWCHFW-GFCCVEGCSA-N 1 1 342.386 4.247 20 10 EICDMO Cc1cc(O)c(C[NH2+][C@H](C)c2nc(C3CCCCC3)no2)cc1C ZINC000237449720 1032865767 /nfs/dbraw/zinc/86/57/67/1032865767.db2.gz MOKGSEAPOAQIKO-CQSZACIVSA-N 1 1 329.444 4.291 20 10 EICDMO Cc1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)nc1Cl ZINC001167107208 1020182522 /nfs/dbraw/zinc/18/25/22/1020182522.db2.gz AJPYEVOEVCSRTH-UHFFFAOYSA-N 1 1 329.875 4.274 20 10 EICDMO C[N@@H+](Cc1c(O)cccc1Br)[C@@H]1CCc2ccccc21 ZINC000707144074 1023489881 /nfs/dbraw/zinc/48/98/81/1023489881.db2.gz YLAHNTXEMWYJSL-MRXNPFEDSA-N 1 1 332.241 4.274 20 10 EICDMO CC[C@H](c1ccccc1O)[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000377615233 1023633250 /nfs/dbraw/zinc/63/32/50/1023633250.db2.gz LHDJAQHDANKKKG-CVEARBPZSA-N 1 1 327.428 4.331 20 10 EICDMO CC[C@H](c1ccccc1O)[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000377615233 1023633257 /nfs/dbraw/zinc/63/32/57/1023633257.db2.gz LHDJAQHDANKKKG-CVEARBPZSA-N 1 1 327.428 4.331 20 10 EICDMO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)cc1C(C)C ZINC000162712237 1023741393 /nfs/dbraw/zinc/74/13/93/1023741393.db2.gz ZNTSNKBYAKHDOE-SFHVURJKSA-N 1 1 327.472 4.067 20 10 EICDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2cc3ccccc3o2)c(O)c1OC ZINC000891569171 1023787887 /nfs/dbraw/zinc/78/78/87/1023787887.db2.gz QETRHJVXMRVTRL-ZDUSSCGKSA-N 1 1 341.407 4.349 20 10 EICDMO C[C@@H]([NH2+][C@@H]1COc2c1cccc2Cl)c1cc(F)cc(F)c1O ZINC000756759802 1024439379 /nfs/dbraw/zinc/43/93/79/1024439379.db2.gz ZFIVCLYJUKJXPI-XLKFXECMSA-N 1 1 325.742 4.108 20 10 EICDMO CCOC(CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)OCC ZINC000278863298 1025051112 /nfs/dbraw/zinc/05/11/12/1025051112.db2.gz WMXUNIKIJFVLMK-JTQLQIEISA-N 1 1 336.259 4.139 20 10 EICDMO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](CC)c2ccc(N(C)C)cc2)[nH]1 ZINC000277358386 1025801031 /nfs/dbraw/zinc/80/10/31/1025801031.db2.gz WFKGMQPGKQODRC-ZQIUZPCESA-N 1 1 329.492 4.186 20 10 EICDMO CC[N@@H+](CCOCCC(C)C)Cc1cc(Br)ccc1O ZINC001167512508 1025854112 /nfs/dbraw/zinc/85/41/12/1025854112.db2.gz OQOQNBZSIFMTKJ-UHFFFAOYSA-N 1 1 344.293 4.039 20 10 EICDMO CCN(C)c1ccc(C[N@@H+](CC)C[C@@H](O)c2ccc(C)cc2)cc1 ZINC001167518048 1025902911 /nfs/dbraw/zinc/90/29/11/1025902911.db2.gz SVOJSINDDQOWPA-OAQYLSRUSA-N 1 1 326.484 4.007 20 10 EICDMO CCC[N@H+](Cc1ncc(Br)s1)Cc1ccccc1O ZINC000783443926 1026197261 /nfs/dbraw/zinc/19/72/61/1026197261.db2.gz CBIOSJBMTWJNPB-UHFFFAOYSA-N 1 1 341.274 4.023 20 10 EICDMO CCC[N@@H+](Cc1ncc(Br)s1)Cc1ccccc1O ZINC000783443926 1026197273 /nfs/dbraw/zinc/19/72/73/1026197273.db2.gz CBIOSJBMTWJNPB-UHFFFAOYSA-N 1 1 341.274 4.023 20 10 EICDMO CCC[N@@H+](Cc1ccc(OCOCC)cc1)Cc1ccccc1O ZINC000783446892 1026458025 /nfs/dbraw/zinc/45/80/25/1026458025.db2.gz WKJGZTMLUUJWTP-UHFFFAOYSA-N 1 1 329.440 4.177 20 10 EICDMO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2cc(Cl)ccc2O)c(C)c1 ZINC000158427339 1026736504 /nfs/dbraw/zinc/73/65/04/1026736504.db2.gz ZGABAAYFTXADBK-UHFFFAOYSA-N 1 1 346.858 4.041 20 10 EICDMO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cc(Cl)ccc2O)c(C)c1 ZINC000158427339 1026736514 /nfs/dbraw/zinc/73/65/14/1026736514.db2.gz ZGABAAYFTXADBK-UHFFFAOYSA-N 1 1 346.858 4.041 20 10 EICDMO CC[C@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1ccc(F)cc1O ZINC000796664377 1028710900 /nfs/dbraw/zinc/71/09/00/1028710900.db2.gz WIFIWCKSIPJXAS-DLBZAZTESA-N 1 1 348.487 4.471 20 10 EICDMO C[C@@H]1CCCN(c2ccc(C[NH2+]Cc3cscn3)cc2Cl)C1 ZINC000281871603 1028903255 /nfs/dbraw/zinc/90/32/55/1028903255.db2.gz CRPFLJNHYYDPDM-CYBMUJFWSA-N 1 1 335.904 4.323 20 10 EICDMO Cc1noc([C@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)ccc3O)C2)n1 ZINC000091832553 1029895713 /nfs/dbraw/zinc/89/57/13/1029895713.db2.gz QQUYVZWHNVQQRL-SFHVURJKSA-N 1 1 349.434 4.130 20 10 EICDMO CC[C@H]([NH2+][C@@H](c1ccc(OC)nc1)C1CC1)c1ccc(F)cc1O ZINC000528043405 1031060320 /nfs/dbraw/zinc/06/03/20/1031060320.db2.gz OMJJQGUVDBAXAA-QFBILLFUSA-N 1 1 330.403 4.127 20 10 EICDMO CCN(CC)c1ccc(CNc2cccnc2-n2cc[nH+]c2C)cc1 ZINC000236978020 1033865117 /nfs/dbraw/zinc/86/51/17/1033865117.db2.gz IZAHZIAOKVXBLG-UHFFFAOYSA-N 1 1 335.455 4.034 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2c2cccn2C)c1O ZINC000761201566 1036024733 /nfs/dbraw/zinc/02/47/33/1036024733.db2.gz BZMWKPRPKIFAOE-MRXNPFEDSA-N 1 1 334.847 4.120 20 10 EICDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(OC)c2O)C1 ZINC000761207059 1036051387 /nfs/dbraw/zinc/05/13/87/1036051387.db2.gz XIUFBHNRKACHFN-ZIAGYGMSSA-N 1 1 329.893 4.160 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000273556949 1037507166 /nfs/dbraw/zinc/50/71/66/1037507166.db2.gz ZQGIAGYVQHHOLA-SFTDATJTSA-N 1 1 342.458 4.244 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000174374840 1038923978 /nfs/dbraw/zinc/92/39/78/1038923978.db2.gz AUCYHHNCHUSEHY-HNNXBMFYSA-N 1 1 344.430 4.079 20 10 EICDMO Cc1nnsc1[C@@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000929184871 1039380002 /nfs/dbraw/zinc/38/00/02/1039380002.db2.gz MKKZWPCFGSXKFL-OAHLLOKOSA-N 1 1 330.501 4.030 20 10 EICDMO Cc1nnsc1[C@@H](C)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000929184871 1039380027 /nfs/dbraw/zinc/38/00/27/1039380027.db2.gz MKKZWPCFGSXKFL-OAHLLOKOSA-N 1 1 330.501 4.030 20 10 EICDMO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCc3oc(C)nc32)cc1F ZINC000925015505 1041590276 /nfs/dbraw/zinc/59/02/76/1041590276.db2.gz ULMCOYWREGROCQ-MRXNPFEDSA-N 1 1 331.435 4.136 20 10 EICDMO CCCN(CCC)c1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000727644357 1043254337 /nfs/dbraw/zinc/25/43/37/1043254337.db2.gz BNCAKIOERRKCTC-RTWAWAEBSA-N 1 1 329.532 4.029 20 10 EICDMO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1 ZINC000727644357 1043254363 /nfs/dbraw/zinc/25/43/63/1043254363.db2.gz BNCAKIOERRKCTC-RTWAWAEBSA-N 1 1 329.532 4.029 20 10 EICDMO COCCC[N@@H+](Cc1ccncc1)Cc1cc(C(C)C)c(C)cc1O ZINC000730253687 1043486118 /nfs/dbraw/zinc/48/61/18/1043486118.db2.gz FXKWSZZAUNJQIV-UHFFFAOYSA-N 1 1 342.483 4.258 20 10 EICDMO CCC[N@H+](Cc1c(O)ccc2ccc(OC)cc21)C[C@H]1CCCCO1 ZINC000730255941 1043486408 /nfs/dbraw/zinc/48/64/08/1043486408.db2.gz NXMCPNOMCWSMRK-GOSISDBHSA-N 1 1 343.467 4.335 20 10 EICDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1c(O)ccc3ccncc31)CCC2 ZINC000732189958 1043880925 /nfs/dbraw/zinc/88/09/25/1043880925.db2.gz WJIMFLHJRCKKHP-KRWDZBQOSA-N 1 1 339.464 4.215 20 10 EICDMO C[N@@H+](CCc1ccc(Cl)cc1)Cc1c(O)ccc2ccncc21 ZINC000733300641 1044167241 /nfs/dbraw/zinc/16/72/41/1044167241.db2.gz VEEQBVYZFJCDNK-UHFFFAOYSA-N 1 1 326.827 4.268 20 10 EICDMO Oc1ccccc1C[N@@H+](CCCOCC(F)(F)F)C1CCCC1 ZINC000733613621 1044271394 /nfs/dbraw/zinc/27/13/94/1044271394.db2.gz DVMWFYPZNLWJCH-UHFFFAOYSA-N 1 1 331.378 4.106 20 10 EICDMO c1csc([C@H]2CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)n1 ZINC000895583682 1044814797 /nfs/dbraw/zinc/81/47/97/1044814797.db2.gz NKQBNRJNPMHMBI-KRWDZBQOSA-N 1 1 327.497 4.123 20 10 EICDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2c(O)ccc3ccncc32)c1 ZINC000735484813 1044824935 /nfs/dbraw/zinc/82/49/35/1044824935.db2.gz IFLIDLCPGPHWRZ-NRFANRHFSA-N 1 1 347.462 4.344 20 10 EICDMO CC[N@@H+](Cc1cc2oc3ccccc3c2cc1O)C[C@H]1CCOC1 ZINC000738077960 1045032935 /nfs/dbraw/zinc/03/29/35/1045032935.db2.gz YRMIJIWSNPVAEW-CQSZACIVSA-N 1 1 325.408 4.150 20 10 EICDMO CC[N@H+](Cc1cc2oc3ccccc3c2cc1O)C[C@H]1CCOC1 ZINC000738077960 1045032951 /nfs/dbraw/zinc/03/29/51/1045032951.db2.gz YRMIJIWSNPVAEW-CQSZACIVSA-N 1 1 325.408 4.150 20 10 EICDMO Cc1cc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)c(O)c(C(C)(C)C)c1 ZINC000738159895 1045039529 /nfs/dbraw/zinc/03/95/29/1045039529.db2.gz UMBQIUOBEHRJCR-QGZVFWFLSA-N 1 1 327.472 4.032 20 10 EICDMO Cc1cc(O)c(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1C ZINC000738107822 1045042226 /nfs/dbraw/zinc/04/22/26/1045042226.db2.gz OQKFPQSDIKYFEG-MOPGFXCFSA-N 1 1 330.516 4.095 20 10 EICDMO Cc1cc(O)c(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1C ZINC000738107822 1045042239 /nfs/dbraw/zinc/04/22/39/1045042239.db2.gz OQKFPQSDIKYFEG-MOPGFXCFSA-N 1 1 330.516 4.095 20 10 EICDMO Cc1cc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000738273074 1045046568 /nfs/dbraw/zinc/04/65/68/1045046568.db2.gz WFWVXYIYFYCZPX-IBGZPJMESA-N 1 1 344.543 4.448 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)[C@@H](C)c2ccc(C(=O)OC)o2)cc1 ZINC000738299844 1045055959 /nfs/dbraw/zinc/05/59/59/1045055959.db2.gz RDXPNMDWVYKMNP-HNNXBMFYSA-N 1 1 344.455 4.105 20 10 EICDMO COc1ccc(C[NH2+]CC(C)(C)N[C@H](C)c2ccccc2)cc1C ZINC000740005442 1045173570 /nfs/dbraw/zinc/17/35/70/1045173570.db2.gz CHYKUSOUAQHIBN-QGZVFWFLSA-N 1 1 326.484 4.223 20 10 EICDMO COc1cccc(C[N@@H+](C)Cc2cc(OC)cc(C(C)(C)C)c2O)c1 ZINC000915803591 1045468470 /nfs/dbraw/zinc/46/84/70/1045468470.db2.gz IJXONRUYUKNGBB-UHFFFAOYSA-N 1 1 343.467 4.339 20 10 EICDMO CC[C@@H]([NH2+]C[C@H](c1ccc(C)o1)N1CCCC1)c1ccc(F)cc1O ZINC000796738137 1045522081 /nfs/dbraw/zinc/52/20/81/1045522081.db2.gz GYGZMXHXDDQRNZ-QZTJIDSGSA-N 1 1 346.446 4.311 20 10 EICDMO C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc2ccccc2c1[O-] ZINC000790749523 1045571986 /nfs/dbraw/zinc/57/19/86/1045571986.db2.gz HNEQRHKYGHRZMX-INIZCTEOSA-N 1 1 326.484 4.318 20 10 EICDMO CSCc1cc(F)ccc1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790976869 1045664114 /nfs/dbraw/zinc/66/41/14/1045664114.db2.gz OEMBGVAVEXADNQ-UHFFFAOYSA-N 1 1 343.826 4.477 20 10 EICDMO CC[N@@H+](Cc1cnc([C@@H]2CCCO2)s1)Cc1ccc(N(C)C)cc1 ZINC000768131918 1045722829 /nfs/dbraw/zinc/72/28/29/1045722829.db2.gz BIHZGOUHYIWBFN-SFHVURJKSA-N 1 1 345.512 4.083 20 10 EICDMO CCOc1ccc(C[N@H+]2CCCCC[C@@H]2c2ccncc2)c(O)c1 ZINC000768138155 1045725967 /nfs/dbraw/zinc/72/59/67/1045725967.db2.gz PIFXCWPOGHENMN-LJQANCHMSA-N 1 1 326.440 4.303 20 10 EICDMO Oc1ccccc1C[N@@H+](C/C=C\c1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000768163404 1045728384 /nfs/dbraw/zinc/72/83/84/1045728384.db2.gz YVCCUROCCAYJEO-BOYDRYHPSA-N 1 1 341.426 4.226 20 10 EICDMO CCc1ccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000768162610 1045729190 /nfs/dbraw/zinc/72/91/90/1045729190.db2.gz RXGJMFRNLQVCMB-MRXNPFEDSA-N 1 1 331.481 4.197 20 10 EICDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000768237896 1045763320 /nfs/dbraw/zinc/76/33/20/1045763320.db2.gz SJVNEUIYMLVZKD-JOCHJYFZSA-N 1 1 336.479 4.169 20 10 EICDMO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc3c(cc1O)CCC3)CCC2 ZINC000763219821 1045774037 /nfs/dbraw/zinc/77/40/37/1045774037.db2.gz MAFCMHLNGMFLDJ-QGZVFWFLSA-N 1 1 342.508 4.409 20 10 EICDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000768275188 1045775208 /nfs/dbraw/zinc/77/52/08/1045775208.db2.gz BDVHGOFMGCLPRV-MNOVXSKESA-N 1 1 337.414 4.342 20 10 EICDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000768275189 1045775942 /nfs/dbraw/zinc/77/59/42/1045775942.db2.gz BDVHGOFMGCLPRV-QWRGUYRKSA-N 1 1 337.414 4.342 20 10 EICDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2c(C)oc3ccccc32)c1 ZINC000768291261 1045781152 /nfs/dbraw/zinc/78/11/52/1045781152.db2.gz CHMRLEJDCZBJPL-LBPRGKRZSA-N 1 1 339.391 4.084 20 10 EICDMO CCOc1cccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)c1O ZINC000768353487 1045797161 /nfs/dbraw/zinc/79/71/61/1045797161.db2.gz VJVDAPILPPHCHU-UHFFFAOYSA-N 1 1 342.483 4.268 20 10 EICDMO CCOc1ccc(O)c(C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000768422784 1045805964 /nfs/dbraw/zinc/80/59/64/1045805964.db2.gz DZMLHCCBMAYYHJ-QFIPXVFZSA-N 1 1 348.446 4.198 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000768422784 1045805971 /nfs/dbraw/zinc/80/59/71/1045805971.db2.gz DZMLHCCBMAYYHJ-QFIPXVFZSA-N 1 1 348.446 4.198 20 10 EICDMO CCOc1ccc(O)c(C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)c1 ZINC000768422781 1045806179 /nfs/dbraw/zinc/80/61/79/1045806179.db2.gz DZMLHCCBMAYYHJ-JOCHJYFZSA-N 1 1 348.446 4.198 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)c1 ZINC000768422781 1045806183 /nfs/dbraw/zinc/80/61/83/1045806183.db2.gz DZMLHCCBMAYYHJ-JOCHJYFZSA-N 1 1 348.446 4.198 20 10 EICDMO CCC[N@@H+](CCc1cccc(F)c1)Cc1cc(OC)c(OC)cc1O ZINC000768446584 1045809118 /nfs/dbraw/zinc/80/91/18/1045809118.db2.gz LFPNQYJXZKYLLP-UHFFFAOYSA-N 1 1 347.430 4.003 20 10 EICDMO COc1cc(Br)cc(C[N@@H+](C)[C@@H](C)C(C)(C)C)c1O ZINC000768545152 1045823190 /nfs/dbraw/zinc/82/31/90/1045823190.db2.gz TYLBZJGJMGAZHI-JTQLQIEISA-N 1 1 330.266 4.030 20 10 EICDMO Cc1cc(C)c(O)c(C[N@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)c1 ZINC000763336145 1045828583 /nfs/dbraw/zinc/82/85/83/1045828583.db2.gz PKCNEKCXJYUBDP-IBGZPJMESA-N 1 1 329.415 4.030 20 10 EICDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(N3CCCCC3)cc2)on1 ZINC000768879823 1045853176 /nfs/dbraw/zinc/85/31/76/1045853176.db2.gz YVXSBNWXQBYKPW-IBGZPJMESA-N 1 1 325.456 4.310 20 10 EICDMO CC(C)CCOC1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792166803 1045870199 /nfs/dbraw/zinc/87/01/99/1045870199.db2.gz HISRAZLAFUQXEY-UHFFFAOYSA-N 1 1 329.843 4.212 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000792169423 1045872108 /nfs/dbraw/zinc/87/21/08/1045872108.db2.gz JTTJRGSHWUPJKQ-HNNXBMFYSA-N 1 1 349.833 4.223 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000792169423 1045872116 /nfs/dbraw/zinc/87/21/16/1045872116.db2.gz JTTJRGSHWUPJKQ-HNNXBMFYSA-N 1 1 349.833 4.223 20 10 EICDMO Cc1ccc(C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C(C)C)s1 ZINC000769103050 1045883334 /nfs/dbraw/zinc/88/33/34/1045883334.db2.gz USJXOCBQWXWBCO-UHFFFAOYSA-N 1 1 344.524 4.304 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)cc1 ZINC000769209187 1045893235 /nfs/dbraw/zinc/89/32/35/1045893235.db2.gz QPKSNLYDTGJHRP-IRLDBZIGSA-N 1 1 338.495 4.352 20 10 EICDMO COc1cccc(C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1O ZINC000769212745 1045895704 /nfs/dbraw/zinc/89/57/04/1045895704.db2.gz RJZSRGOSDUUKMV-GHTZIAJQSA-N 1 1 341.451 4.001 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170003282 1045900557 /nfs/dbraw/zinc/90/05/57/1045900557.db2.gz NKYNPVIKQHDSGZ-UHFFFAOYSA-N 1 1 345.531 4.129 20 10 EICDMO c1cc(N2CCOCC2)ccc1C[N@H+](CC1CC1)C1CCCCC1 ZINC000769307201 1045914943 /nfs/dbraw/zinc/91/49/43/1045914943.db2.gz FEWLZSZNPMVCAC-UHFFFAOYSA-N 1 1 328.500 4.068 20 10 EICDMO Cc1cccc2ncc(C[N@@H+](Cc3ccccc3O)C3CCCC3)n21 ZINC000769385042 1045944044 /nfs/dbraw/zinc/94/40/44/1045944044.db2.gz SEZWVAPOFFVBDA-UHFFFAOYSA-N 1 1 335.451 4.293 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)c1 ZINC000769474905 1045991991 /nfs/dbraw/zinc/99/19/91/1045991991.db2.gz SZAPBCADSGPMPO-HRAATJIYSA-N 1 1 341.451 4.061 20 10 EICDMO CCOc1ccc(C[N@@H+](C)[C@H]2CCCc3nc(CC)sc32)c(O)c1 ZINC000769515434 1046006297 /nfs/dbraw/zinc/00/62/97/1046006297.db2.gz SLOXUNUDWCNSRU-INIZCTEOSA-N 1 1 346.496 4.319 20 10 EICDMO COc1cccc(O)c1C[N@@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000769533878 1046009827 /nfs/dbraw/zinc/00/98/27/1046009827.db2.gz QRTYKZNMEXFYNY-ZDUSSCGKSA-N 1 1 334.485 4.482 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccccc2O)c(C(F)(F)F)c1 ZINC000792789155 1046064590 /nfs/dbraw/zinc/06/45/90/1046064590.db2.gz VRZOYJLKYRVEFG-UHFFFAOYSA-N 1 1 338.373 4.109 20 10 EICDMO Cc1ccc(CCC[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000792788398 1046065564 /nfs/dbraw/zinc/06/55/64/1046065564.db2.gz DBJGQFLOXBYOPI-UHFFFAOYSA-N 1 1 325.500 4.299 20 10 EICDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000770304392 1046176903 /nfs/dbraw/zinc/17/69/03/1046176903.db2.gz MOTXOHFRFVKEBS-NRFANRHFSA-N 1 1 338.499 4.056 20 10 EICDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000770312040 1046177031 /nfs/dbraw/zinc/17/70/31/1046177031.db2.gz HQSRMBVRRLQWFZ-OAQYLSRUSA-N 1 1 347.462 4.438 20 10 EICDMO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000770325642 1046180586 /nfs/dbraw/zinc/18/05/86/1046180586.db2.gz JNLJGMYJXSWGLE-PKOBYXMFSA-N 1 1 349.833 4.273 20 10 EICDMO CO[C@]1(C)CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000793339888 1046211509 /nfs/dbraw/zinc/21/15/09/1046211509.db2.gz NOHANUJXKDBUAA-OAQYLSRUSA-N 1 1 325.452 4.450 20 10 EICDMO CCc1ncc(C[N@H+](Cc2ccco2)Cc2ccccc2O)s1 ZINC000771924844 1046519647 /nfs/dbraw/zinc/51/96/47/1046519647.db2.gz QSIOBANROJDKCJ-UHFFFAOYSA-N 1 1 328.437 4.207 20 10 EICDMO CCc1ncc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)s1 ZINC000771924844 1046519663 /nfs/dbraw/zinc/51/96/63/1046519663.db2.gz QSIOBANROJDKCJ-UHFFFAOYSA-N 1 1 328.437 4.207 20 10 EICDMO C[N@@H+](Cc1c[nH]nc1C(C)(C)C)Cc1ccc(N2CCCCC2)cc1 ZINC000771935429 1046529963 /nfs/dbraw/zinc/52/99/63/1046529963.db2.gz SAZNQIPMELIBDD-UHFFFAOYSA-N 1 1 340.515 4.330 20 10 EICDMO CC[N@@H+](Cc1cnc(-c2ccco2)s1)Cc1ccc(N(C)C)cc1 ZINC000787050682 1046901797 /nfs/dbraw/zinc/90/17/97/1046901797.db2.gz VGBWMHRVWVJUAN-UHFFFAOYSA-N 1 1 341.480 4.491 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2scnc2C2CC2)C2CC2)cc1 ZINC000787086737 1046906347 /nfs/dbraw/zinc/90/63/47/1046906347.db2.gz LLVGVAOUKBFZCK-UHFFFAOYSA-N 1 1 327.497 4.251 20 10 EICDMO COc1ccc(N2CCC[N@@H+](Cc3sccc3Cl)CC2)cc1 ZINC000787130230 1046913957 /nfs/dbraw/zinc/91/39/57/1046913957.db2.gz YTHJAHHGRIYXTM-UHFFFAOYSA-N 1 1 336.888 4.122 20 10 EICDMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000917616514 1047027563 /nfs/dbraw/zinc/02/75/63/1047027563.db2.gz NPQMVBIRLRADOA-GOSISDBHSA-N 1 1 336.410 4.287 20 10 EICDMO CC[C@@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1ccc(F)cc1O ZINC000806173705 1047160116 /nfs/dbraw/zinc/16/01/16/1047160116.db2.gz ZTYKURIYXXTSBV-MSOLQXFVSA-N 1 1 334.410 4.014 20 10 EICDMO CC[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)c1ccc(F)cc1O ZINC000806177016 1047163758 /nfs/dbraw/zinc/16/37/58/1047163758.db2.gz RXHBATIXPDOBOD-SJORKVTESA-N 1 1 337.822 4.349 20 10 EICDMO C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788642068 1047256817 /nfs/dbraw/zinc/25/68/17/1047256817.db2.gz DDHCLEFLGGZNHR-IUCAKERBSA-N 1 1 345.283 4.029 20 10 EICDMO CCC(CC)(C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)C(=O)OC ZINC000788735468 1047295499 /nfs/dbraw/zinc/29/54/99/1047295499.db2.gz BKSSLMJKUMAVSF-NSHDSACASA-N 1 1 347.377 4.041 20 10 EICDMO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)cc1 ZINC000788778283 1047312359 /nfs/dbraw/zinc/31/23/59/1047312359.db2.gz XQRCSNOFKKKAAK-WBMJQRKESA-N 1 1 339.357 4.104 20 10 EICDMO Cc1ccc(C[N@H+](C)Cc2ccc(OCc3ccccc3)cc2O)nc1 ZINC000789595826 1047446250 /nfs/dbraw/zinc/44/62/50/1047446250.db2.gz XDULBHDNMZZZPM-UHFFFAOYSA-N 1 1 348.446 4.307 20 10 EICDMO Oc1ccc2ccncc2c1C[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000808221743 1047629108 /nfs/dbraw/zinc/62/91/08/1047629108.db2.gz IKYICXDNERLEPF-UHFFFAOYSA-N 1 1 343.430 4.301 20 10 EICDMO Cc1cc(C)c(O)c(C[N@H+]2CCCC[C@H]2c2nnc(C3CCC3)o2)c1 ZINC000808241208 1047852743 /nfs/dbraw/zinc/85/27/43/1047852743.db2.gz QREPHZZYGWZKIG-KRWDZBQOSA-N 1 1 341.455 4.387 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c(C(F)(F)F)c1 ZINC000814169017 1047872316 /nfs/dbraw/zinc/87/23/16/1047872316.db2.gz BEFIZBYIDBRSRU-LSDHHAIUSA-N 1 1 348.359 4.249 20 10 EICDMO CCN(CC)c1ccc(C[NH2+]Cc2cc(F)cnc2Cl)cc1F ZINC000824537438 1047882517 /nfs/dbraw/zinc/88/25/17/1047882517.db2.gz CFKZGZXHZGCVFI-UHFFFAOYSA-N 1 1 339.817 4.149 20 10 EICDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000825510305 1048107511 /nfs/dbraw/zinc/10/75/11/1048107511.db2.gz ZYIFQARBCIDNJZ-BLLLJJGKSA-N 1 1 347.256 4.133 20 10 EICDMO Cc1cc(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)ccc1N(C)C ZINC000815061231 1048316732 /nfs/dbraw/zinc/31/67/32/1048316732.db2.gz NEFQNXLJXRNXIZ-HNAYVOBHSA-N 1 1 330.497 4.085 20 10 EICDMO Cc1cc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)ccc1N(C)C ZINC000815061231 1048316751 /nfs/dbraw/zinc/31/67/51/1048316751.db2.gz NEFQNXLJXRNXIZ-HNAYVOBHSA-N 1 1 330.497 4.085 20 10 EICDMO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(N(C)C)c(C)c1)CCC2 ZINC000815069690 1048319859 /nfs/dbraw/zinc/31/98/59/1048319859.db2.gz FOGCYHGMTMCMJY-GOSISDBHSA-N 1 1 329.513 4.335 20 10 EICDMO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(N(C)C)c(C)c1)CCC2 ZINC000815069694 1048320156 /nfs/dbraw/zinc/32/01/56/1048320156.db2.gz FOGCYHGMTMCMJY-SFHVURJKSA-N 1 1 329.513 4.335 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1 ZINC000815114889 1048330388 /nfs/dbraw/zinc/33/03/88/1048330388.db2.gz VKIRCAIZVRZNGK-JKSUJKDBSA-N 1 1 327.299 4.158 20 10 EICDMO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815105192 1048346828 /nfs/dbraw/zinc/34/68/28/1048346828.db2.gz HFXIZZPQQZCJOQ-IBGZPJMESA-N 1 1 326.488 4.005 20 10 EICDMO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815105192 1048346845 /nfs/dbraw/zinc/34/68/45/1048346845.db2.gz HFXIZZPQQZCJOQ-IBGZPJMESA-N 1 1 326.488 4.005 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1 ZINC000815106268 1048348527 /nfs/dbraw/zinc/34/85/27/1048348527.db2.gz RMDLKFWGYOBVRN-PWRODBHTSA-N 1 1 330.516 4.048 20 10 EICDMO COCCCC[N@@H+](Cc1ccccc1)Cc1cc2c(cc1O)CCC2 ZINC000920085492 1048455568 /nfs/dbraw/zinc/45/55/68/1048455568.db2.gz DPGBPULWIGEVNP-UHFFFAOYSA-N 1 1 339.479 4.310 20 10 EICDMO Oc1c(Br)cccc1C[NH2+]Cc1ccc2occc2c1 ZINC000809654985 1048456965 /nfs/dbraw/zinc/45/69/65/1048456965.db2.gz WPLRSUKRSFSWMQ-UHFFFAOYSA-N 1 1 332.197 4.191 20 10 EICDMO C[C@@H](CO)[N@H+](Cc1cc(-c2ccccc2)ccc1O)CC1CCC1 ZINC000809664073 1048469631 /nfs/dbraw/zinc/46/96/31/1048469631.db2.gz ADLWCIRPFQSSAD-INIZCTEOSA-N 1 1 325.452 4.042 20 10 EICDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000844746903 1048486245 /nfs/dbraw/zinc/48/62/45/1048486245.db2.gz PBDWDJRCSQAWLN-QGZVFWFLSA-N 1 1 325.399 4.017 20 10 EICDMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc(N(CC)CC)c(F)c1)C2 ZINC000809708070 1048487359 /nfs/dbraw/zinc/48/73/59/1048487359.db2.gz WZFWFKSXQRZARM-UHFFFAOYSA-N 1 1 334.479 4.063 20 10 EICDMO Cc1ccc2nc(C[NH2+][C@@H](C)c3cccc(C(F)(F)F)c3O)cn2c1 ZINC000815576586 1048519222 /nfs/dbraw/zinc/51/92/22/1048519222.db2.gz UBIHVFKCPYEIGS-LBPRGKRZSA-N 1 1 349.356 4.218 20 10 EICDMO CC[C@H](c1ccncc1)[N@@H+](C)Cc1cc(Br)cc(C)c1O ZINC000809766454 1048524350 /nfs/dbraw/zinc/52/43/50/1048524350.db2.gz XVWIGUOKNGYTKU-MRXNPFEDSA-N 1 1 349.272 4.441 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2ccccn2)C2CC2)c(C(F)(F)F)c1 ZINC000809762892 1048525096 /nfs/dbraw/zinc/52/50/96/1048525096.db2.gz DANBEQYCAJMOEC-UHFFFAOYSA-N 1 1 349.400 4.331 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](Cc2cccnc2)C2CC2)cc1F ZINC000809762995 1048525143 /nfs/dbraw/zinc/52/51/43/1048525143.db2.gz GURHQUBVBIXZGB-UHFFFAOYSA-N 1 1 327.447 4.232 20 10 EICDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1O ZINC000815590753 1048527164 /nfs/dbraw/zinc/52/71/64/1048527164.db2.gz HZPCFWJOJDVKOH-JTQLQIEISA-N 1 1 340.301 4.170 20 10 EICDMO CCOc1ccc(O)c(C[N@@H+](C)[C@H](CC)c2ccccc2OC)c1 ZINC000809781150 1048530743 /nfs/dbraw/zinc/53/07/43/1048530743.db2.gz PGNWIXWYWCMDBJ-GOSISDBHSA-N 1 1 329.440 4.383 20 10 EICDMO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cccc(C(F)(F)F)c1O ZINC000815600054 1048531750 /nfs/dbraw/zinc/53/17/50/1048531750.db2.gz KMRQSCZQXDMYIT-GDJRKYJOSA-N 1 1 341.373 4.019 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1F ZINC000809789935 1048535349 /nfs/dbraw/zinc/53/53/49/1048535349.db2.gz OEXWZHAJZAVWRS-OKILXGFUSA-N 1 1 332.385 4.445 20 10 EICDMO COc1ccc(C[N@@H+](Cc2cc(OC)ccc2O)C(C)(C)C)cc1 ZINC000809792434 1048536274 /nfs/dbraw/zinc/53/62/74/1048536274.db2.gz VSWYFPOKHQLJBO-UHFFFAOYSA-N 1 1 329.440 4.210 20 10 EICDMO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(C(F)(F)F)c1O ZINC000815573901 1048537471 /nfs/dbraw/zinc/53/74/71/1048537471.db2.gz XLYUYQRQGRLFEJ-NSHDSACASA-N 1 1 337.341 4.197 20 10 EICDMO CCn1nc(C)c(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)c1C ZINC000815574608 1048537862 /nfs/dbraw/zinc/53/78/62/1048537862.db2.gz WHCVVOBXTDLNEA-SNVBAGLBSA-N 1 1 341.377 4.095 20 10 EICDMO C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1cccc(C(F)(F)F)c1O ZINC000815574725 1048538883 /nfs/dbraw/zinc/53/88/83/1048538883.db2.gz ARLVHBQTBVZEJL-IAQYHMDHSA-N 1 1 331.378 4.003 20 10 EICDMO COCCc1cc[nH+]c(N[C@H](C)c2cccc(C(F)(F)F)c2O)c1 ZINC000815625740 1048550773 /nfs/dbraw/zinc/55/07/73/1048550773.db2.gz LBFXJRCVBJFYLH-LLVKDONJSA-N 1 1 340.345 4.168 20 10 EICDMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1ccc(-n2cccn2)c(F)c1 ZINC000815644053 1048566682 /nfs/dbraw/zinc/56/66/82/1048566682.db2.gz RCUKCPPATPBQGA-CHWSQXEVSA-N 1 1 343.377 4.268 20 10 EICDMO CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CC)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000810212446 1048681924 /nfs/dbraw/zinc/68/19/24/1048681924.db2.gz BCUAUCKZNUHZJU-CZUORRHYSA-N 1 1 344.421 4.184 20 10 EICDMO CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000810212446 1048681937 /nfs/dbraw/zinc/68/19/37/1048681937.db2.gz BCUAUCKZNUHZJU-CZUORRHYSA-N 1 1 344.421 4.184 20 10 EICDMO Cc1cc(C[N@@H+](C)Cc2ccccc2O)c(F)cc1Br ZINC001144591198 1048739736 /nfs/dbraw/zinc/73/97/36/1048739736.db2.gz UUDHGERAXNLCDO-UHFFFAOYSA-N 1 1 338.220 4.234 20 10 EICDMO COc1cc(C[N@H+]2CCc3sccc3C2)c(O)c(C(C)(C)C)c1 ZINC000217961108 1048773410 /nfs/dbraw/zinc/77/34/10/1048773410.db2.gz LAOONJUISKQIEA-UHFFFAOYSA-N 1 1 331.481 4.318 20 10 EICDMO C[N@@H+](Cc1cc(Cl)cc(Br)c1)Cc1ccccc1O ZINC001144689574 1048809142 /nfs/dbraw/zinc/80/91/42/1048809142.db2.gz CMHHIRSPKBTOSA-UHFFFAOYSA-N 1 1 340.648 4.440 20 10 EICDMO Oc1c(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)ccc2ccccc21 ZINC000816495615 1048815293 /nfs/dbraw/zinc/81/52/93/1048815293.db2.gz CLAIJLONAZRNNC-IBGZPJMESA-N 1 1 337.419 4.320 20 10 EICDMO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816509228 1048823362 /nfs/dbraw/zinc/82/33/62/1048823362.db2.gz IRSOUASYKWGITH-JOCHJYFZSA-N 1 1 333.431 4.293 20 10 EICDMO C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816535407 1048825957 /nfs/dbraw/zinc/82/59/57/1048825957.db2.gz NTIVULSLXMEHGO-QGZVFWFLSA-N 1 1 326.484 4.147 20 10 EICDMO C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816535407 1048825958 /nfs/dbraw/zinc/82/59/58/1048825958.db2.gz NTIVULSLXMEHGO-QGZVFWFLSA-N 1 1 326.484 4.147 20 10 EICDMO CCC(CC)[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000816564834 1048836418 /nfs/dbraw/zinc/83/64/18/1048836418.db2.gz RVTWKSZBIQRWST-GUYCJALGSA-N 1 1 329.843 4.258 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000816665932 1048852010 /nfs/dbraw/zinc/85/20/10/1048852010.db2.gz AJSCIFGLXYCICL-FCHUYYIVSA-N 1 1 335.447 4.203 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000811519456 1049105968 /nfs/dbraw/zinc/10/59/68/1049105968.db2.gz XWTNQVGETYERRW-VQTJNVASSA-N 1 1 328.500 4.066 20 10 EICDMO COc1ccc(Cl)c2c1C[C@H]([N@@H+](C)Cc1ccccc1O)CC2 ZINC001171326845 1049288175 /nfs/dbraw/zinc/28/81/75/1049288175.db2.gz SFGOUWPBABZISO-CQSZACIVSA-N 1 1 331.843 4.044 20 10 EICDMO Oc1ccc2ccncc2c1C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000747788080 1049439907 /nfs/dbraw/zinc/43/99/07/1049439907.db2.gz AQLKJQQQADGUQU-LJQANCHMSA-N 1 1 348.446 4.122 20 10 EICDMO Oc1cc2ccccc2cc1CNc1[nH+]cccc1C1CCOCC1 ZINC001171402963 1049624128 /nfs/dbraw/zinc/62/41/28/1049624128.db2.gz VPPZOAZLYGDXOQ-UHFFFAOYSA-N 1 1 334.419 4.447 20 10 EICDMO C[NH+](C)Cc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000037141417 1049665839 /nfs/dbraw/zinc/66/58/39/1049665839.db2.gz OLMDMXAENHXGHO-UHFFFAOYSA-N 1 1 325.239 4.373 20 10 EICDMO C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1O)CC1CCOCC1 ZINC000179642956 1049701871 /nfs/dbraw/zinc/70/18/71/1049701871.db2.gz ICHPWUCNNYDRHE-KRWDZBQOSA-N 1 1 325.452 4.382 20 10 EICDMO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC001171777858 1049796843 /nfs/dbraw/zinc/79/68/43/1049796843.db2.gz HOERJOWHBGUERO-LJQANCHMSA-N 1 1 330.516 4.375 20 10 EICDMO Cc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)c1O ZINC001171976517 1049836935 /nfs/dbraw/zinc/83/69/35/1049836935.db2.gz SHAFZBIGHPOAMN-HXUWFJFHSA-N 1 1 338.495 4.233 20 10 EICDMO COc1cccc(C[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c1O ZINC000180658055 1049923563 /nfs/dbraw/zinc/92/35/63/1049923563.db2.gz DUVAFCOMMIDZMY-UHFFFAOYSA-N 1 1 334.419 4.171 20 10 EICDMO CN(C)c1ccc(CNc2ccc([NH+]3CCCCC3)cc2)cc1F ZINC001177374426 1050199000 /nfs/dbraw/zinc/19/90/00/1050199000.db2.gz IWZJGVVWZUFPHI-UHFFFAOYSA-N 1 1 327.447 4.494 20 10 EICDMO COc1c(O)c(C[NH2+][C@H](c2ccccc2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000774965131 1050222532 /nfs/dbraw/zinc/22/25/32/1050222532.db2.gz XONBVBHDJXGFAX-GOSISDBHSA-N 1 1 344.411 4.186 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+]C2(C)Cc3ccccc3C2)c1 ZINC001178218537 1050415376 /nfs/dbraw/zinc/41/53/76/1050415376.db2.gz RLFAPNXJEDFBSQ-UHFFFAOYSA-N 1 1 346.268 4.110 20 10 EICDMO CS[C@@H](C[NH2+]Cc1cc(C)cc(Br)c1O)C(C)(C)C ZINC001178472803 1050479565 /nfs/dbraw/zinc/47/95/65/1050479565.db2.gz HHSYADAIZXJRIY-ZDUSSCGKSA-N 1 1 346.334 4.330 20 10 EICDMO CCN(C)c1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000773765491 1050533670 /nfs/dbraw/zinc/53/36/70/1050533670.db2.gz LOSXWIHBHVJKCX-HNAYVOBHSA-N 1 1 330.497 4.166 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000773765491 1050533683 /nfs/dbraw/zinc/53/36/83/1050533683.db2.gz LOSXWIHBHVJKCX-HNAYVOBHSA-N 1 1 330.497 4.166 20 10 EICDMO CCCc1ccc(C[NH2+]Cc2cccc(Br)c2O)cc1 ZINC000775151013 1050644223 /nfs/dbraw/zinc/64/42/23/1050644223.db2.gz DGEXVQIJSSGZFE-UHFFFAOYSA-N 1 1 334.257 4.397 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+][C@H](C)C2CCC(F)CC2)c1 ZINC001179257537 1050661712 /nfs/dbraw/zinc/66/17/12/1050661712.db2.gz DCVQCSQVNGTZLE-LKSINWNRSA-N 1 1 344.268 4.470 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2cscc2Cl)c1 ZINC001179602984 1050728364 /nfs/dbraw/zinc/72/83/64/1050728364.db2.gz PKXPWLOHLAJYSI-UHFFFAOYSA-N 1 1 346.677 4.468 20 10 EICDMO O=C(C[C@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1O)c1ccc(F)cc1 ZINC001179925147 1050819105 /nfs/dbraw/zinc/81/91/05/1050819105.db2.gz NKIWSXDCFJLLLL-MRXNPFEDSA-N 1 1 349.352 4.047 20 10 EICDMO O=C(C[C@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1O)c1ccc(F)cc1 ZINC001179925147 1050819107 /nfs/dbraw/zinc/81/91/07/1050819107.db2.gz NKIWSXDCFJLLLL-MRXNPFEDSA-N 1 1 349.352 4.047 20 10 EICDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)c(F)cc2[O-])C1(CC)CC ZINC001179950745 1050827293 /nfs/dbraw/zinc/82/72/93/1050827293.db2.gz HFFWAKJYCLSIGH-IAGOWNOFSA-N 1 1 327.415 4.086 20 10 EICDMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2O)C1(CC)CC ZINC001179950745 1050827298 /nfs/dbraw/zinc/82/72/98/1050827298.db2.gz HFFWAKJYCLSIGH-IAGOWNOFSA-N 1 1 327.415 4.086 20 10 EICDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)c(F)cc2O)C1(CC)CC ZINC001179950745 1050827309 /nfs/dbraw/zinc/82/73/09/1050827309.db2.gz HFFWAKJYCLSIGH-IAGOWNOFSA-N 1 1 327.415 4.086 20 10 EICDMO COc1ccc(-n2c(C)cc(C[N@@H+](C)Cc3ccc(C)nc3)c2C)cc1 ZINC001179920298 1050835720 /nfs/dbraw/zinc/83/57/20/1050835720.db2.gz SPCQXIYPEWCINX-UHFFFAOYSA-N 1 1 349.478 4.438 20 10 EICDMO CCc1cccc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)c1O ZINC001180154801 1050902308 /nfs/dbraw/zinc/90/23/08/1050902308.db2.gz XQAVJOXADSLTKY-OXQOHEQNSA-N 1 1 325.452 4.225 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1cccc2cnccc21)C[C@@H]1CCCO1 ZINC000182960282 1050911506 /nfs/dbraw/zinc/91/15/06/1050911506.db2.gz FKAQSVVLWOIMGZ-FQEVSTJZSA-N 1 1 348.446 4.122 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](c3ccco3)C2)c(C(F)(F)F)c1 ZINC001180267601 1050943278 /nfs/dbraw/zinc/94/32/78/1050943278.db2.gz YQCGLFXFSRSUDV-CQSZACIVSA-N 1 1 338.373 4.354 20 10 EICDMO Oc1c(Br)cccc1C[NH2+]Cc1ccc(Cl)s1 ZINC000070937888 1050956081 /nfs/dbraw/zinc/95/60/81/1050956081.db2.gz JEZCJBNITAWWFH-UHFFFAOYSA-N 1 1 332.650 4.159 20 10 EICDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC001180557832 1051034107 /nfs/dbraw/zinc/03/41/07/1051034107.db2.gz HIRCLMFZFSBHQQ-GFCCVEGCSA-N 1 1 344.361 4.191 20 10 EICDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC001180557832 1051034119 /nfs/dbraw/zinc/03/41/19/1051034119.db2.gz HIRCLMFZFSBHQQ-GFCCVEGCSA-N 1 1 344.361 4.191 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2N)cc1 ZINC001204145952 1051129277 /nfs/dbraw/zinc/12/92/77/1051129277.db2.gz PVGLEMCQUWMUGH-UHFFFAOYSA-N 1 1 338.282 4.274 20 10 EICDMO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC001181544386 1051250884 /nfs/dbraw/zinc/25/08/84/1051250884.db2.gz OUXSCAIKTROBOH-UHFFFAOYSA-N 1 1 334.467 4.083 20 10 EICDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC001181544386 1051250892 /nfs/dbraw/zinc/25/08/92/1051250892.db2.gz OUXSCAIKTROBOH-UHFFFAOYSA-N 1 1 334.467 4.083 20 10 EICDMO Oc1ccccc1C[N@@H+](C[C@@H]1COC2(CCCCC2)O1)C1CCCC1 ZINC001190894672 1051300523 /nfs/dbraw/zinc/30/05/23/1051300523.db2.gz GYDZSCCGCSZBLW-LJQANCHMSA-N 1 1 345.483 4.213 20 10 EICDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)c1 ZINC001181988220 1051366326 /nfs/dbraw/zinc/36/63/26/1051366326.db2.gz XESRIWJUPAUIPW-QGZVFWFLSA-N 1 1 349.883 4.421 20 10 EICDMO C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1cc(Cl)c(Cl)cc1O ZINC000774108772 1051457244 /nfs/dbraw/zinc/45/72/44/1051457244.db2.gz AEAURHIXNWYIIV-SNVBAGLBSA-N 1 1 336.222 4.198 20 10 EICDMO C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1cc(Cl)c(Cl)cc1O ZINC000774186785 1051508416 /nfs/dbraw/zinc/50/84/16/1051508416.db2.gz CWFIJZMSLJQYHX-PIGZYNQJSA-N 1 1 340.250 4.257 20 10 EICDMO CC(C)[C@@H](O)C1(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)CC1 ZINC000774270409 1051537687 /nfs/dbraw/zinc/53/76/87/1051537687.db2.gz DYQINDYNKVMLMI-MEBBXXQBSA-N 1 1 332.271 4.147 20 10 EICDMO C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cc(Cl)c(Cl)cc1O ZINC000774270492 1051539300 /nfs/dbraw/zinc/53/93/00/1051539300.db2.gz FFKIWHCSSFWRFZ-GHMZBOCLSA-N 1 1 346.254 4.035 20 10 EICDMO CO[C@H](CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)C(F)(F)F ZINC000774376050 1051567299 /nfs/dbraw/zinc/56/72/99/1051567299.db2.gz XAHFNWOJLPUKEE-JVXZTZIISA-N 1 1 346.176 4.317 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1nc(-c2cccs2)no1 ZINC000774480485 1051609750 /nfs/dbraw/zinc/60/97/50/1051609750.db2.gz CFMRRNKYRGUGRM-QWHCGFSZSA-N 1 1 342.468 4.276 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1nc(-c2ccccc2)no1)c1ccc(N(C)C)cc1 ZINC000774482528 1051611391 /nfs/dbraw/zinc/61/13/91/1051611391.db2.gz GUTGHBKAPYSBEU-CABCVRRESA-N 1 1 336.439 4.214 20 10 EICDMO Cc1ccc(Br)cc1C[NH2+]Cc1cc(F)c(F)cc1O ZINC001182917745 1051744626 /nfs/dbraw/zinc/74/46/26/1051744626.db2.gz BBDOLXKNJDUHSK-UHFFFAOYSA-N 1 1 342.183 4.031 20 10 EICDMO Cc1cc([N@H+]2C(=N)C=CC(/N=N/c3ccccc3)=C2N)cc(C)c1N ZINC001175932299 1051847771 /nfs/dbraw/zinc/84/77/71/1051847771.db2.gz QCJMWXXNBJZSKA-GEQPAYBISA-N 1 1 332.411 4.153 20 10 EICDMO CC1([NH+]2CCCCC2)CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC001183684712 1051882467 /nfs/dbraw/zinc/88/24/67/1051882467.db2.gz GZEYMQVJNSXRCW-UHFFFAOYSA-N 1 1 340.870 4.025 20 10 EICDMO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1ccc(F)cc1O)O[C@H](C)C2 ZINC000184897898 1052298440 /nfs/dbraw/zinc/29/84/40/1052298440.db2.gz STXPLNFDPSDEHP-OLZOCXBDSA-N 1 1 345.414 4.104 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccc(N2CCCC2=O)cc1 ZINC000185156909 1052494217 /nfs/dbraw/zinc/49/42/17/1052494217.db2.gz VCDANDCJKCVTRJ-KGLIPLIRSA-N 1 1 342.414 4.070 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)c1ccc(F)cc1O ZINC000185611393 1052658262 /nfs/dbraw/zinc/65/82/62/1052658262.db2.gz IKHOXOFFYHGTGI-UONOGXRCSA-N 1 1 325.387 4.129 20 10 EICDMO COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000794661615 1053238550 /nfs/dbraw/zinc/23/85/50/1053238550.db2.gz PWNHRXKYRIMSSL-FZMZJTMJSA-N 1 1 345.405 4.471 20 10 EICDMO COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000794661619 1053240224 /nfs/dbraw/zinc/24/02/24/1053240224.db2.gz PWNHRXKYRIMSSL-SMDDNHRTSA-N 1 1 345.405 4.471 20 10 EICDMO C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1cc(Cl)c(Cl)cc1O ZINC000850535666 1053296613 /nfs/dbraw/zinc/29/66/13/1053296613.db2.gz ZBKASHXRRFJUGQ-SECBINFHSA-N 1 1 340.254 4.161 20 10 EICDMO COc1ccnc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)c1F ZINC000850536583 1053301193 /nfs/dbraw/zinc/30/11/93/1053301193.db2.gz HMZMPSUYCQMQLN-OAHLLOKOSA-N 1 1 343.446 4.070 20 10 EICDMO C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1cccc(Cl)c1[O-] ZINC000775642254 1053303264 /nfs/dbraw/zinc/30/32/64/1053303264.db2.gz IRXWOHGAXVQPJL-UHFFFAOYSA-N 1 1 327.758 4.279 20 10 EICDMO C[C@H](O)[C@@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)c1ccccc1 ZINC000850584749 1053334985 /nfs/dbraw/zinc/33/49/85/1053334985.db2.gz SVMXJCXNPCPUPY-PSVSLLHZSA-N 1 1 340.250 4.472 20 10 EICDMO Cc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1O ZINC000775674432 1053499184 /nfs/dbraw/zinc/49/91/84/1053499184.db2.gz AHQGFCNOUQDMNH-QGZVFWFLSA-N 1 1 335.806 4.067 20 10 EICDMO Cc1cccc(C[N@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1O ZINC000775674432 1053499191 /nfs/dbraw/zinc/49/91/91/1053499191.db2.gz AHQGFCNOUQDMNH-QGZVFWFLSA-N 1 1 335.806 4.067 20 10 EICDMO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C3CCCCC3)cc2)CCN1C ZINC000765446018 1053550739 /nfs/dbraw/zinc/55/07/39/1053550739.db2.gz PEYOMIRFWBLMGB-HKUYNNGSSA-N 1 1 329.532 4.028 20 10 EICDMO Cc1cccc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1O ZINC000775688420 1053594641 /nfs/dbraw/zinc/59/46/41/1053594641.db2.gz QZTFTBZSXDOREH-WIYYLYMNSA-N 1 1 338.495 4.186 20 10 EICDMO CC[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC001196175123 1053607198 /nfs/dbraw/zinc/60/71/98/1053607198.db2.gz GCVCENGEKLPKTB-QZTJIDSGSA-N 1 1 330.516 4.312 20 10 EICDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000775712493 1053648549 /nfs/dbraw/zinc/64/85/49/1053648549.db2.gz CQCHJTDYMGVYMW-AWEZNQCLSA-N 1 1 331.843 4.352 20 10 EICDMO C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc2ccccc2c1[O-] ZINC000853240640 1053658143 /nfs/dbraw/zinc/65/81/43/1053658143.db2.gz PTGKTYFXBASQFC-SJLPKXTDSA-N 1 1 338.495 4.318 20 10 EICDMO C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2ccccc2c1[O-] ZINC000853240640 1053658149 /nfs/dbraw/zinc/65/81/49/1053658149.db2.gz PTGKTYFXBASQFC-SJLPKXTDSA-N 1 1 338.495 4.318 20 10 EICDMO CC[C@H]1C[C@@H](C[N@@H+](Cc2ccco2)Cc2ccccc2O)CCO1 ZINC000780754119 1053662010 /nfs/dbraw/zinc/66/20/10/1053662010.db2.gz MTSHSUAXACWXNJ-WMZOPIPTSA-N 1 1 329.440 4.193 20 10 EICDMO C[N@@H+](Cc1cc(-c2ccc(Cl)cc2)no1)Cc1ccccc1O ZINC000111235483 1053666037 /nfs/dbraw/zinc/66/60/37/1053666037.db2.gz FIBLGGBPGBQBJR-UHFFFAOYSA-N 1 1 328.799 4.333 20 10 EICDMO Cc1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)c1O ZINC000775724404 1053690790 /nfs/dbraw/zinc/69/07/90/1053690790.db2.gz CKXABJRLCJYQKG-BLLLJJGKSA-N 1 1 337.872 4.378 20 10 EICDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)c1O ZINC000775724404 1053690797 /nfs/dbraw/zinc/69/07/97/1053690797.db2.gz CKXABJRLCJYQKG-BLLLJJGKSA-N 1 1 337.872 4.378 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1C(C)C ZINC000776765927 1053860349 /nfs/dbraw/zinc/86/03/49/1053860349.db2.gz FEJLNPAELBVAKH-NRFANRHFSA-N 1 1 343.442 4.057 20 10 EICDMO Cc1csc(C[C@@H]2CCC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC001197865133 1054019438 /nfs/dbraw/zinc/01/94/38/1054019438.db2.gz VXZSEPZXOGLTAV-KRWDZBQOSA-N 1 1 343.540 4.281 20 10 EICDMO CC[NH+](CC)[C@H](CNCc1c(C)c2ccccc2n1C)CC(C)C ZINC001199161124 1054354767 /nfs/dbraw/zinc/35/47/67/1054354767.db2.gz GUVZWSZSYPMHQD-SFHVURJKSA-N 1 1 329.532 4.333 20 10 EICDMO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000872132577 1054408121 /nfs/dbraw/zinc/40/81/21/1054408121.db2.gz GPSBUARKOPCCDL-WCBMZHEXSA-N 1 1 326.227 4.209 20 10 EICDMO CCC[N@@H+](Cc1cc(OC)ccc1O)[C@H]1CCCc2cccnc21 ZINC000775995225 1054435724 /nfs/dbraw/zinc/43/57/24/1054435724.db2.gz QEOUIYZYIXRPKZ-SFHVURJKSA-N 1 1 326.440 4.085 20 10 EICDMO COC(=O)/C(C)=C\C[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000776012071 1054445131 /nfs/dbraw/zinc/44/51/31/1054445131.db2.gz XUPRCAOSUFBHGT-VZVUQDNOSA-N 1 1 339.435 4.075 20 10 EICDMO Cc1cc(C[NH2+]Cc2c(C)nn(C)c2Cl)c(C)n1-c1ccccc1 ZINC000858292500 1054456250 /nfs/dbraw/zinc/45/62/50/1054456250.db2.gz AHYCIUYSXCRYSL-UHFFFAOYSA-N 1 1 342.874 4.079 20 10 EICDMO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(Br)c1O)CC2 ZINC000776174639 1054801940 /nfs/dbraw/zinc/80/19/40/1054801940.db2.gz QQYLGHIJUGBTFK-MRXNPFEDSA-N 1 1 332.241 4.240 20 10 EICDMO O=c1[nH]ccc2oc(C[N@H+](Cc3ccccc3O)C3CCCC3)cc21 ZINC000876721563 1054949609 /nfs/dbraw/zinc/94/96/09/1054949609.db2.gz JLJKHPVGMGUEDI-UHFFFAOYSA-N 1 1 338.407 4.184 20 10 EICDMO Cc1cccc(O)c1C[NH2+][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000877472612 1055057583 /nfs/dbraw/zinc/05/75/83/1055057583.db2.gz XMMAJNUGYTUILW-CYBMUJFWSA-N 1 1 341.386 4.049 20 10 EICDMO C[C@@H](N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765875246 1056039633 /nfs/dbraw/zinc/03/96/33/1056039633.db2.gz YRDKJZGUSKONEY-WIYYLYMNSA-N 1 1 341.543 4.202 20 10 EICDMO C[C@@H](N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765875246 1056039652 /nfs/dbraw/zinc/03/96/52/1056039652.db2.gz YRDKJZGUSKONEY-WIYYLYMNSA-N 1 1 341.543 4.202 20 10 EICDMO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1nc(C(F)(F)F)cs1 ZINC000744448969 1059525326 /nfs/dbraw/zinc/52/53/26/1059525326.db2.gz PJJBPKKRMOVBQS-CYBMUJFWSA-N 1 1 343.418 4.469 20 10 EICDMO Cc1ccc([C@@H](C)[NH2+]CC[C@H](C)N(C)Cc2ccccc2)c(O)c1 ZINC000379627305 1059648495 /nfs/dbraw/zinc/64/84/95/1059648495.db2.gz HUAXTOVWLJUSJH-ZWKOTPCHSA-N 1 1 326.484 4.262 20 10 EICDMO Cc1cc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)ccc1N(C)C ZINC001169506697 1060838054 /nfs/dbraw/zinc/83/80/54/1060838054.db2.gz CJTQSEADEJWJSI-QFIPXVFZSA-N 1 1 336.479 4.083 20 10 EICDMO CCCC[N@H+](Cc1ccccc1O)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001169753910 1060940982 /nfs/dbraw/zinc/94/09/82/1060940982.db2.gz DEEOVMGUYGZYSR-GDBMZVCRSA-N 1 1 331.378 4.104 20 10 EICDMO Cc1ccc([C@@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)c(O)c1C ZINC000274937265 1019872571 /nfs/dbraw/zinc/87/25/71/1019872571.db2.gz AJJBGMMDELSJAD-CQSZACIVSA-N 1 1 332.444 4.163 20 10 EICDMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000728286333 1021726313 /nfs/dbraw/zinc/72/63/13/1021726313.db2.gz SZKFPLAQKIGITQ-SFHVURJKSA-N 1 1 348.402 4.006 20 10 EICDMO C[C@@H](c1cccc(Br)c1)[N@@H+](C)Cc1cc(O)ccc1O ZINC001141163188 1023245898 /nfs/dbraw/zinc/24/58/98/1023245898.db2.gz UKWHFLCQNIFUCH-NSHDSACASA-N 1 1 336.229 4.053 20 10 EICDMO CC[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccc(C)cc1O ZINC000377094854 1023369309 /nfs/dbraw/zinc/36/93/09/1023369309.db2.gz PMRJAVLDNCFDKA-LJQANCHMSA-N 1 1 333.435 4.399 20 10 EICDMO CCC[N@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759860063 1023746238 /nfs/dbraw/zinc/74/62/38/1023746238.db2.gz XGTXNMYWYRRYQG-GOSISDBHSA-N 1 1 337.822 4.130 20 10 EICDMO C[N@@H+](Cc1cccc(Br)c1)Cc1c([O-])cc(F)cc1F ZINC001140582233 1026913683 /nfs/dbraw/zinc/91/36/83/1026913683.db2.gz FGJQEZAIYIBEGX-UHFFFAOYSA-N 1 1 342.183 4.065 20 10 EICDMO CN(Cc1cccc(Br)c1)Cc1c([O-])cc(F)cc1F ZINC001140582233 1026913687 /nfs/dbraw/zinc/91/36/87/1026913687.db2.gz FGJQEZAIYIBEGX-UHFFFAOYSA-N 1 1 342.183 4.065 20 10 EICDMO CCC[N@@H+](Cc1nnc(-c2cc(C)oc2C)o1)Cc1ccccc1O ZINC000161530157 1027996112 /nfs/dbraw/zinc/99/61/12/1027996112.db2.gz NSKHINJHCUOGGV-UHFFFAOYSA-N 1 1 341.411 4.064 20 10 EICDMO CCc1cc(N2CC=C(c3c[nH]c4ccc(OC)cc43)CC2)nc(C)[nH+]1 ZINC000301367590 1029716730 /nfs/dbraw/zinc/71/67/30/1029716730.db2.gz SUPWIXRSDHDUIT-UHFFFAOYSA-N 1 1 348.450 4.131 20 10 EICDMO C[C@@H](Nc1cc[nH+]c2ccsc21)c1ccc(N2CCOCC2)cc1 ZINC000301384441 1029721744 /nfs/dbraw/zinc/72/17/44/1029721744.db2.gz WIVBOZOLHVICHX-CQSZACIVSA-N 1 1 339.464 4.306 20 10 EICDMO Oc1ccc2ccccc2c1C[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000185871044 1030233166 /nfs/dbraw/zinc/23/31/66/1030233166.db2.gz MOHDPJCGRSTJBV-UHFFFAOYSA-N 1 1 341.414 4.292 20 10 EICDMO C[C@@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1ccc(F)cc1O ZINC000186192367 1030255830 /nfs/dbraw/zinc/25/58/30/1030255830.db2.gz GDVPMDZJIVREGU-QWHCGFSZSA-N 1 1 341.386 4.036 20 10 EICDMO Cn1cncc1C[N@@H+](Cc1c(O)ccc2ccccc21)C1CCCC1 ZINC000177064262 1031075393 /nfs/dbraw/zinc/07/53/93/1031075393.db2.gz LSUVGZNYNWUFJN-UHFFFAOYSA-N 1 1 335.451 4.224 20 10 EICDMO COc1ccc2c(c1)CCCC[N@H+]2C[C@@H]1CCCC12CCOCC2 ZINC001168244017 1031439793 /nfs/dbraw/zinc/43/97/93/1031439793.db2.gz JJEHEMCNRMIFOU-SFHVURJKSA-N 1 1 329.484 4.435 20 10 EICDMO COc1ccc2c(c1)CCCC[N@@H+]2C[C@@H]1CCCC12CCOCC2 ZINC001168244017 1031439796 /nfs/dbraw/zinc/43/97/96/1031439796.db2.gz JJEHEMCNRMIFOU-SFHVURJKSA-N 1 1 329.484 4.435 20 10 EICDMO CCc1cc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000749797619 1034747743 /nfs/dbraw/zinc/74/77/43/1034747743.db2.gz BTEZPMDUZITZSZ-IRXDYDNUSA-N 1 1 331.500 4.111 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000015571569 1035337734 /nfs/dbraw/zinc/33/77/34/1035337734.db2.gz JUGZZIYNLFBAJT-UHFFFAOYSA-N 1 1 339.439 4.217 20 10 EICDMO CCOCc1cc(C[NH2+][C@H](C)c2c(F)cccc2F)ccc1OC ZINC000905006843 1035705027 /nfs/dbraw/zinc/70/50/27/1035705027.db2.gz SBPCHPSITKPQNM-CYBMUJFWSA-N 1 1 335.394 4.361 20 10 EICDMO COc1cc(C)cc(C[N@H+](C)Cc2ccc(SC)c(OC)c2)c1O ZINC000164226559 1035999439 /nfs/dbraw/zinc/99/94/39/1035999439.db2.gz GFBBYXKCTUCELD-UHFFFAOYSA-N 1 1 347.480 4.072 20 10 EICDMO COc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(OC)c2O)cc1C ZINC000761194716 1036003990 /nfs/dbraw/zinc/00/39/90/1036003990.db2.gz GDDIGEDMNAIXKJ-UHFFFAOYSA-N 1 1 335.831 4.003 20 10 EICDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(Cl)cc(OC)c1O ZINC000761190560 1036006879 /nfs/dbraw/zinc/00/68/79/1036006879.db2.gz CYBUETGPGSDPMA-UHFFFAOYSA-N 1 1 335.831 4.085 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](c3ccccc3F)C2)c1O ZINC000761200502 1036032092 /nfs/dbraw/zinc/03/20/92/1036032092.db2.gz UTYHZLKMLVGLTI-LBPRGKRZSA-N 1 1 335.806 4.183 20 10 EICDMO Cc1ccc(O)c(C[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000273377371 1037438769 /nfs/dbraw/zinc/43/87/69/1037438769.db2.gz GDTOXGNSNBJNCH-QUCCMNQESA-N 1 1 329.415 4.192 20 10 EICDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(CN(C)C)c2)c(O)c1C ZINC000273609207 1037523974 /nfs/dbraw/zinc/52/39/74/1037523974.db2.gz VGXBECNYAMLDFC-OAHLLOKOSA-N 1 1 330.447 4.061 20 10 EICDMO C[C@H](c1cccs1)[N@H+](C)Cc1cccc(Br)c1O ZINC000157834058 1038168302 /nfs/dbraw/zinc/16/83/02/1038168302.db2.gz VTJCJMVERXMYBI-SNVBAGLBSA-N 1 1 326.259 4.409 20 10 EICDMO C[C@H](c1cccs1)[N@@H+](C)Cc1cccc(Br)c1O ZINC000157834058 1038168339 /nfs/dbraw/zinc/16/83/39/1038168339.db2.gz VTJCJMVERXMYBI-SNVBAGLBSA-N 1 1 326.259 4.409 20 10 EICDMO Oc1cccc(Cl)c1C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000128798755 1040753960 /nfs/dbraw/zinc/75/39/60/1040753960.db2.gz BKMPQUVKHFLVRF-UHFFFAOYSA-N 1 1 347.686 4.362 20 10 EICDMO Oc1cccc(Cl)c1C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000128798755 1040753968 /nfs/dbraw/zinc/75/39/68/1040753968.db2.gz BKMPQUVKHFLVRF-UHFFFAOYSA-N 1 1 347.686 4.362 20 10 EICDMO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC000311073427 1041252036 /nfs/dbraw/zinc/25/20/36/1041252036.db2.gz KNNOACVXAZUYKK-WSTZPKSXSA-N 1 1 338.495 4.262 20 10 EICDMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1C)Cc1ccccc1O ZINC000727831398 1043312804 /nfs/dbraw/zinc/31/28/04/1043312804.db2.gz ZAGSQBWMTHHBMF-UHFFFAOYSA-N 1 1 346.858 4.205 20 10 EICDMO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(C(C)C)c(C)cc1O)C2 ZINC000730254829 1043485878 /nfs/dbraw/zinc/48/58/78/1043485878.db2.gz LFKULGIWLUCWKN-UHFFFAOYSA-N 1 1 339.435 4.126 20 10 EICDMO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cc(C(C)C)c(C)cc1O)C2 ZINC000730254829 1043485882 /nfs/dbraw/zinc/48/58/82/1043485882.db2.gz LFKULGIWLUCWKN-UHFFFAOYSA-N 1 1 339.435 4.126 20 10 EICDMO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1nccn1-c1ccccc1 ZINC000922127299 1043567486 /nfs/dbraw/zinc/56/74/86/1043567486.db2.gz MBVMUNQXPLPPBP-INIZCTEOSA-N 1 1 333.435 4.048 20 10 EICDMO Oc1ccccc1C[N@H+](C[C@@H](O)c1ccc(F)cc1)C1CCCC1 ZINC000732204979 1043887220 /nfs/dbraw/zinc/88/72/20/1043887220.db2.gz WRVHAHFEHBUZPV-HXUWFJFHSA-N 1 1 329.415 4.010 20 10 EICDMO CC(C)n1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000766091536 1044034172 /nfs/dbraw/zinc/03/41/72/1044034172.db2.gz BIEQOCCIPKEIHU-KRWDZBQOSA-N 1 1 326.488 4.305 20 10 EICDMO Oc1ccc2ccncc2c1C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000733789497 1044312088 /nfs/dbraw/zinc/31/20/88/1044312088.db2.gz UNXPMBMQKBQCCW-UHFFFAOYSA-N 1 1 336.410 4.287 20 10 EICDMO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2c(O)ccc3ccncc32)c1 ZINC000735484815 1044825829 /nfs/dbraw/zinc/82/58/29/1044825829.db2.gz IFLIDLCPGPHWRZ-OAQYLSRUSA-N 1 1 347.462 4.344 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CCSC[C@@H]1c1ccccc1)CCC2 ZINC000738070327 1045031378 /nfs/dbraw/zinc/03/13/78/1045031378.db2.gz PLCCCYLANNORDO-LJQANCHMSA-N 1 1 325.477 4.171 20 10 EICDMO Cc1cc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000738273076 1045049469 /nfs/dbraw/zinc/04/94/69/1045049469.db2.gz WFWVXYIYFYCZPX-LJQANCHMSA-N 1 1 344.543 4.448 20 10 EICDMO CCc1cc(CN2CC[C@H](C[NH+]3CCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000739876963 1045169506 /nfs/dbraw/zinc/16/95/06/1045169506.db2.gz WZMZXTXEJBKYOV-GOSISDBHSA-N 1 1 344.543 4.170 20 10 EICDMO CC[C@H]([NH2+]C[C@H](c1ccc(C)o1)N1CCCC1)c1ccc(F)cc1O ZINC000796738139 1045524236 /nfs/dbraw/zinc/52/42/36/1045524236.db2.gz GYGZMXHXDDQRNZ-ZWKOTPCHSA-N 1 1 346.446 4.311 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)cc1C ZINC000767505924 1045549808 /nfs/dbraw/zinc/54/98/08/1045549808.db2.gz YUGHDDUWJWMXPX-LJQANCHMSA-N 1 1 331.843 4.236 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)cc1C ZINC000767505924 1045549825 /nfs/dbraw/zinc/54/98/25/1045549825.db2.gz YUGHDDUWJWMXPX-LJQANCHMSA-N 1 1 331.843 4.236 20 10 EICDMO CCOCCC1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CCCC1 ZINC000790976843 1045662911 /nfs/dbraw/zinc/66/29/11/1045662911.db2.gz MVGHMJUUYKQLBV-UHFFFAOYSA-N 1 1 329.843 4.261 20 10 EICDMO C[N@@H+](Cc1ccsc1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768204074 1045743733 /nfs/dbraw/zinc/74/37/33/1045743733.db2.gz QMEUXYWWOPBLPH-UHFFFAOYSA-N 1 1 345.468 4.279 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccc(NC(C)=O)cc2)cc1 ZINC000768208428 1045744301 /nfs/dbraw/zinc/74/43/01/1045744301.db2.gz OXNLVYPIIHUZMH-UHFFFAOYSA-N 1 1 339.483 4.123 20 10 EICDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(N(C)C)cc2)cc1OC ZINC000768227781 1045758390 /nfs/dbraw/zinc/75/83/90/1045758390.db2.gz IUTLAQZATDQKPW-IBGZPJMESA-N 1 1 340.467 4.107 20 10 EICDMO COc1cccc(O)c1C[N@@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000768258675 1045768814 /nfs/dbraw/zinc/76/88/14/1045768814.db2.gz VIVJIIAIIKTKCH-XJKSGUPXSA-N 1 1 327.424 4.282 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2cncc3ccccc32)C2CC2)cc1 ZINC000768258122 1045768599 /nfs/dbraw/zinc/76/85/99/1045768599.db2.gz PHMULOAKKCXTIR-UHFFFAOYSA-N 1 1 331.463 4.465 20 10 EICDMO CCOc1cccc(C[N@@H+](C)[C@@H]2CCCc3cc(OC)ccc32)c1O ZINC000768337902 1045791683 /nfs/dbraw/zinc/79/16/83/1045791683.db2.gz JBPUDEBUKFSMOJ-LJQANCHMSA-N 1 1 341.451 4.309 20 10 EICDMO CC[N@@H+](Cc1cccc(Cl)c1)Cc1cc(OC)c(OC)cc1O ZINC000768440006 1045807755 /nfs/dbraw/zinc/80/77/55/1045807755.db2.gz QUHOSEFRSOEIBS-UHFFFAOYSA-N 1 1 335.831 4.085 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)cc1OC ZINC000768453580 1045808897 /nfs/dbraw/zinc/80/88/97/1045808897.db2.gz ZAQAGQAOHYBLLI-QGZVFWFLSA-N 1 1 341.451 4.179 20 10 EICDMO CC(C)[N@@H+](CCc1nccs1)Cc1cc2c(cc1O)CCCC2 ZINC000768463461 1045810626 /nfs/dbraw/zinc/81/06/26/1045810626.db2.gz UIDUOOXTZUHCFT-UHFFFAOYSA-N 1 1 330.497 4.181 20 10 EICDMO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+](C)Cc1ccccc1O ZINC000768872790 1045851401 /nfs/dbraw/zinc/85/14/01/1045851401.db2.gz IQSYFSKAZUHKTQ-UHFFFAOYSA-N 1 1 341.842 4.172 20 10 EICDMO CCOc1cccc(C[N@H+]2CCC[C@H]2Cc2cccc(OC)c2)c1O ZINC000768937522 1045862900 /nfs/dbraw/zinc/86/29/00/1045862900.db2.gz ULLYSMYYLQRHGP-SFHVURJKSA-N 1 1 341.451 4.007 20 10 EICDMO CCN(C)c1ccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000792162074 1045863783 /nfs/dbraw/zinc/86/37/83/1045863783.db2.gz BJHNQLXKYALZDU-UHFFFAOYSA-N 1 1 340.515 4.014 20 10 EICDMO CCOc1cccc(C[N@H+]2CCC[C@@H]2Cc2ccccc2OC)c1O ZINC000769189853 1045884269 /nfs/dbraw/zinc/88/42/69/1045884269.db2.gz SJWMDLMJQHTCJK-GOSISDBHSA-N 1 1 341.451 4.007 20 10 EICDMO CCC[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)Cc1ccccc1O ZINC000769201003 1045894158 /nfs/dbraw/zinc/89/41/58/1045894158.db2.gz NOBSLKVFBGGPSW-UHFFFAOYSA-N 1 1 329.488 4.373 20 10 EICDMO Oc1ccc(Cl)cc1C[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000769245415 1045899582 /nfs/dbraw/zinc/89/95/82/1045899582.db2.gz RJICKKCUSYESAJ-HKUYNNGSSA-N 1 1 331.843 4.134 20 10 EICDMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2OC)c(O)c1 ZINC000769319683 1045919148 /nfs/dbraw/zinc/91/91/48/1045919148.db2.gz WMFYQXYRQCWHPO-SFHVURJKSA-N 1 1 327.424 4.137 20 10 EICDMO CCOc1ccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)c(O)c1 ZINC000769384859 1045945828 /nfs/dbraw/zinc/94/58/28/1045945828.db2.gz PXUOXJQGGNWYFF-UHFFFAOYSA-N 1 1 341.451 4.441 20 10 EICDMO CCOC(=O)c1ccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)o1 ZINC000769390523 1045949143 /nfs/dbraw/zinc/94/91/43/1045949143.db2.gz WNBMKWBNBUIURV-UHFFFAOYSA-N 1 1 343.423 4.107 20 10 EICDMO CCOc1cccc(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c1O ZINC000769428156 1045959297 /nfs/dbraw/zinc/95/92/97/1045959297.db2.gz MSLSTGRKGMHNPT-KRWDZBQOSA-N 1 1 333.378 4.406 20 10 EICDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000769483714 1045969576 /nfs/dbraw/zinc/96/95/76/1045969576.db2.gz ICHUZRUXOJHTDK-NRFANRHFSA-N 1 1 328.500 4.070 20 10 EICDMO COc1cccc(O)c1C[N@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000769462869 1045982024 /nfs/dbraw/zinc/98/20/24/1045982024.db2.gz LHHVMUFHBALTSW-AUUYWEPGSA-N 1 1 329.465 4.079 20 10 EICDMO CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1C ZINC000769470638 1045986120 /nfs/dbraw/zinc/98/61/20/1045986120.db2.gz MPHUSXWRLFSMHJ-BXUZGUMPSA-N 1 1 331.287 4.004 20 10 EICDMO CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1C ZINC000769470638 1045986146 /nfs/dbraw/zinc/98/61/46/1045986146.db2.gz MPHUSXWRLFSMHJ-BXUZGUMPSA-N 1 1 331.287 4.004 20 10 EICDMO CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1C ZINC000769470638 1045986136 /nfs/dbraw/zinc/98/61/36/1045986136.db2.gz MPHUSXWRLFSMHJ-BXUZGUMPSA-N 1 1 331.287 4.004 20 10 EICDMO COc1cccc(O)c1C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000769512600 1046002580 /nfs/dbraw/zinc/00/25/80/1046002580.db2.gz KSEGUGGLXOXLAW-HNNXBMFYSA-N 1 1 329.465 4.015 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000769531480 1046008425 /nfs/dbraw/zinc/00/84/25/1046008425.db2.gz BJSGELISPQMJGC-MRXNPFEDSA-N 1 1 347.842 4.098 20 10 EICDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000769534886 1046009764 /nfs/dbraw/zinc/00/97/64/1046009764.db2.gz ZYKOWSHUFXSQBD-FQEVSTJZSA-N 1 1 348.494 4.075 20 10 EICDMO CCOc1cccc(C[N@@H+](C)Cc2cccc(OC(C)C)c2)c1O ZINC000769538161 1046012491 /nfs/dbraw/zinc/01/24/91/1046012491.db2.gz UFJYHESETZZBKE-UHFFFAOYSA-N 1 1 329.440 4.210 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000769560556 1046021205 /nfs/dbraw/zinc/02/12/05/1046021205.db2.gz WAQAYVATGXLKBS-ZDUSSCGKSA-N 1 1 333.378 4.059 20 10 EICDMO Cn1c[nH+]c2cc(NCc3c(F)cccc3Br)ccc21 ZINC000793052463 1046130464 /nfs/dbraw/zinc/13/04/64/1046130464.db2.gz WMZNRZOWXNXDPN-UHFFFAOYSA-N 1 1 334.192 4.087 20 10 EICDMO C[C@H]([NH2+]CCc1ccc2cn[nH]c2c1)c1ccc(N2CCCCC2)cc1 ZINC000793576695 1046298837 /nfs/dbraw/zinc/29/88/37/1046298837.db2.gz YJTVIAPNGNCMOD-KRWDZBQOSA-N 1 1 348.494 4.447 20 10 EICDMO Cc1nc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)nc2ccccc12 ZINC000771792089 1046492092 /nfs/dbraw/zinc/49/20/92/1046492092.db2.gz VRDXWYGFCYZNLK-UHFFFAOYSA-N 1 1 348.494 4.415 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)c1 ZINC000771933981 1046528466 /nfs/dbraw/zinc/52/84/66/1046528466.db2.gz PVIJWGLNFMXPRY-IBGZPJMESA-N 1 1 327.424 4.137 20 10 EICDMO Cc1c(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)cccc1[N+](=O)[O-] ZINC000917074574 1046639229 /nfs/dbraw/zinc/63/92/29/1046639229.db2.gz ALTPQISDUTUXLL-UHFFFAOYSA-N 1 1 339.439 4.134 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1cc(Cl)cs1)C[C@H]1CCCO1 ZINC000787047597 1046899000 /nfs/dbraw/zinc/89/90/00/1046899000.db2.gz AMSNRFJUPAMMOA-OAHLLOKOSA-N 1 1 337.872 4.288 20 10 EICDMO CCC[N@@H+](Cc1cccc(C)c1O)[C@@H](C)C(=O)Nc1ccccc1C ZINC000787326218 1046993131 /nfs/dbraw/zinc/99/31/31/1046993131.db2.gz AQHTYEGPFNZPEJ-KRWDZBQOSA-N 1 1 340.467 4.248 20 10 EICDMO CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132755 1047125102 /nfs/dbraw/zinc/12/51/02/1047125102.db2.gz ZXBABCOVZKLNQH-ZBEGNZNMSA-N 1 1 343.298 4.224 20 10 EICDMO CCN(CC)c1ccc(C[NH2+]Cc2ncc(C(F)(F)F)s2)cc1 ZINC000788508383 1047210288 /nfs/dbraw/zinc/21/02/88/1047210288.db2.gz XFVCYIXLUSYODX-UHFFFAOYSA-N 1 1 343.418 4.298 20 10 EICDMO C[C@H]([NH2+]CCc1ccc(O)cc1)c1cccc(C(F)(F)F)c1O ZINC000788647934 1047248203 /nfs/dbraw/zinc/24/82/03/1047248203.db2.gz NVKJWKYRQBWRNH-NSHDSACASA-N 1 1 325.330 4.010 20 10 EICDMO Cc1nc(CC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)sc1C ZINC000788629726 1047255267 /nfs/dbraw/zinc/25/52/67/1047255267.db2.gz CZOMQPZKDGWPHO-SNVBAGLBSA-N 1 1 344.402 4.378 20 10 EICDMO C[C@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)c1cccc(C(F)(F)F)c1O ZINC000788672886 1047269642 /nfs/dbraw/zinc/26/96/42/1047269642.db2.gz SSVZDGDXWCQIEN-ZENOOKHLSA-N 1 1 345.405 4.393 20 10 EICDMO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)cc1 ZINC000788778279 1047312552 /nfs/dbraw/zinc/31/25/52/1047312552.db2.gz XQRCSNOFKKKAAK-LRDDRELGSA-N 1 1 339.357 4.104 20 10 EICDMO Cc1cc(O)c(C[N@@H+](C)Cc2cccc(Br)c2)cc1C ZINC000918182442 1047372007 /nfs/dbraw/zinc/37/20/07/1047372007.db2.gz RHDQOHARGLVWMA-UHFFFAOYSA-N 1 1 334.257 4.404 20 10 EICDMO Cc1cc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)ccc1N(C)C ZINC001170527726 1047475221 /nfs/dbraw/zinc/47/52/21/1047475221.db2.gz QNVLIOZIYSHKLR-FQEVSTJZSA-N 1 1 344.886 4.288 20 10 EICDMO Cc1cc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)ccc1N(C)C ZINC001170527726 1047475230 /nfs/dbraw/zinc/47/52/30/1047475230.db2.gz QNVLIOZIYSHKLR-FQEVSTJZSA-N 1 1 344.886 4.288 20 10 EICDMO C[N@@H+](Cc1ccccc1O)Cc1cc(Br)c(F)cc1F ZINC001136855263 1047855093 /nfs/dbraw/zinc/85/50/93/1047855093.db2.gz CRJGDGJPTIZATM-UHFFFAOYSA-N 1 1 342.183 4.065 20 10 EICDMO CO[C@H]1CC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)[C@@H](C)C1 ZINC000824339384 1047856736 /nfs/dbraw/zinc/85/67/36/1047856736.db2.gz UQJNUDMRKXSJOC-LPHOPBHVSA-N 1 1 344.524 4.384 20 10 EICDMO CSC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000814178896 1047868072 /nfs/dbraw/zinc/86/80/72/1047868072.db2.gz IAZQSNKYMUKXMN-GFCCVEGCSA-N 1 1 344.318 4.038 20 10 EICDMO CCN(CC)c1ccc(CN[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000808425509 1047889031 /nfs/dbraw/zinc/88/90/31/1047889031.db2.gz FZWPIFOIBQWDDJ-NRFANRHFSA-N 1 1 343.490 4.064 20 10 EICDMO O[C@@H]1CCC[C@@H]1[C@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000824697163 1047896962 /nfs/dbraw/zinc/89/69/62/1047896962.db2.gz ZCRSKZLXUWHEIW-YPAWHYETSA-N 1 1 342.527 4.192 20 10 EICDMO CCCN(CCC)c1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cc1 ZINC000825017719 1048019265 /nfs/dbraw/zinc/01/92/65/1048019265.db2.gz YCEFWUSIRFPUIA-VQIMIIECSA-N 1 1 326.488 4.305 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045425 1048025255 /nfs/dbraw/zinc/02/52/55/1048025255.db2.gz DDJVCWPQDVKNHS-GFCCVEGCSA-N 1 1 345.723 4.379 20 10 EICDMO CC[C@@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)c1ccc(F)cc1O ZINC000808727981 1048076214 /nfs/dbraw/zinc/07/62/14/1048076214.db2.gz NDIHIOQXEAKRQW-YVWKXTFCSA-N 1 1 329.415 4.492 20 10 EICDMO COc1cc(C[N@@H+](C)[C@@H](C)c2cccnc2)c(O)c(C(C)(C)C)c1 ZINC000825500907 1048104114 /nfs/dbraw/zinc/10/41/14/1048104114.db2.gz JVMQDULMTPMVKL-AWEZNQCLSA-N 1 1 328.456 4.286 20 10 EICDMO Cc1cc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)ccc1N(C)C ZINC000815072375 1048318841 /nfs/dbraw/zinc/31/88/41/1048318841.db2.gz KWKOJGMCPYPAGV-OAQYLSRUSA-N 1 1 348.494 4.285 20 10 EICDMO CC[N@H+](CCOC)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000920087910 1048457484 /nfs/dbraw/zinc/45/74/84/1048457484.db2.gz PNQWIADLDUZLMM-UHFFFAOYSA-N 1 1 340.427 4.009 20 10 EICDMO CC[N@@H+](CCOC)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000920087910 1048457492 /nfs/dbraw/zinc/45/74/92/1048457492.db2.gz PNQWIADLDUZLMM-UHFFFAOYSA-N 1 1 340.427 4.009 20 10 EICDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000809700959 1048465218 /nfs/dbraw/zinc/46/52/18/1048465218.db2.gz RVFZPAHFHHJQTC-GHTZIAJQSA-N 1 1 330.516 4.192 20 10 EICDMO COc1cccc(C[N@@H+](Cc2cccnc2)Cc2ccccc2C)c1O ZINC000809735689 1048483450 /nfs/dbraw/zinc/48/34/50/1048483450.db2.gz OUUMJFVPNDQVDG-UHFFFAOYSA-N 1 1 348.446 4.307 20 10 EICDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000844746902 1048484609 /nfs/dbraw/zinc/48/46/09/1048484609.db2.gz PBDWDJRCSQAWLN-KRWDZBQOSA-N 1 1 325.399 4.017 20 10 EICDMO Oc1ccc2c(c1)OCC[N@H+](Cc1cc(-c3ccccc3)ccc1O)C2 ZINC000809704654 1048487818 /nfs/dbraw/zinc/48/78/18/1048487818.db2.gz DVDRZWMOIPNDIJ-UHFFFAOYSA-N 1 1 347.414 4.159 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2CCCCC[C@@H]2c2c(C)n[nH]c2C)c1 ZINC000809757930 1048521350 /nfs/dbraw/zinc/52/13/50/1048521350.db2.gz WLBXKCQPXSIRQO-GOSISDBHSA-N 1 1 343.471 4.248 20 10 EICDMO CCOc1ccc(C[N@H+]2CCCCC[C@@H]2c2c(C)n[nH]c2C)c(O)c1 ZINC000809756338 1048522407 /nfs/dbraw/zinc/52/24/07/1048522407.db2.gz GLIPENSYBILZAR-GOSISDBHSA-N 1 1 343.471 4.248 20 10 EICDMO CCC(CC)(CCO)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815585417 1048523439 /nfs/dbraw/zinc/52/34/39/1048523439.db2.gz HNQJSHUGKIDEAN-LBPRGKRZSA-N 1 1 333.394 4.250 20 10 EICDMO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cccc(C(F)(F)F)c1O ZINC000815589288 1048524531 /nfs/dbraw/zinc/52/45/31/1048524531.db2.gz ODSXCBUDGWNSQJ-BTQDYEIMSA-N 1 1 329.362 4.019 20 10 EICDMO COc1cc(F)cc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)c1 ZINC000815599923 1048531856 /nfs/dbraw/zinc/53/18/56/1048531856.db2.gz GAKZRRJJRAAJEK-SNVBAGLBSA-N 1 1 343.320 4.410 20 10 EICDMO C[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1cccc(C(F)(F)F)c1O ZINC000815617869 1048544093 /nfs/dbraw/zinc/54/40/93/1048544093.db2.gz XBTDOHYFKIGSKZ-MZPVMMEZSA-N 1 1 343.389 4.267 20 10 EICDMO C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1cccc(C(F)(F)F)c1O ZINC000815617546 1048544442 /nfs/dbraw/zinc/54/44/42/1048544442.db2.gz PPUOETXKUKVWJE-NVBFEUDRSA-N 1 1 329.362 4.019 20 10 EICDMO C[C@@H]([NH2+]CC1(C(F)(F)F)CC1)c1cccc(C(F)(F)F)c1O ZINC000815626029 1048551810 /nfs/dbraw/zinc/55/18/10/1048551810.db2.gz SLWMRDLJBZTOPA-MRVPVSSYSA-N 1 1 327.268 4.404 20 10 EICDMO CCc1nc(C)c(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)o1 ZINC000815629038 1048554304 /nfs/dbraw/zinc/55/43/04/1048554304.db2.gz QYZUGIBVFVWJEQ-SECBINFHSA-N 1 1 328.334 4.121 20 10 EICDMO CC[C@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1ccc(F)cc1O ZINC000815637076 1048565995 /nfs/dbraw/zinc/56/59/95/1048565995.db2.gz LVUBHCYCZWXRIG-AWEZNQCLSA-N 1 1 342.336 4.229 20 10 EICDMO Oc1cc(F)c(Br)cc1C[NH+]1CCC2(CCC2)CC1 ZINC001144298415 1048574352 /nfs/dbraw/zinc/57/43/52/1048574352.db2.gz DCJWMXSDFRFQOE-UHFFFAOYSA-N 1 1 328.225 4.060 20 10 EICDMO CC[C@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1ccc(F)cc1O ZINC000810253140 1048729553 /nfs/dbraw/zinc/72/95/53/1048729553.db2.gz MQOXKNKIKRCGLJ-MAUKXSAKSA-N 1 1 335.444 4.122 20 10 EICDMO Cc1nc2sccn2c1C[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816502151 1048821464 /nfs/dbraw/zinc/82/14/64/1048821464.db2.gz PMJARIGDTUFHEC-UHFFFAOYSA-N 1 1 337.448 4.195 20 10 EICDMO COc1cccc([C@@H]2C[N@@H+](Cc3ccc4ccccc4c3O)CCO2)c1 ZINC000816503448 1048821858 /nfs/dbraw/zinc/82/18/58/1048821858.db2.gz XWIJPOKHTGCIDT-NRFANRHFSA-N 1 1 349.430 4.128 20 10 EICDMO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816585055 1048832170 /nfs/dbraw/zinc/83/21/70/1048832170.db2.gz AEFBWTMZDRNERA-QGZVFWFLSA-N 1 1 339.357 4.089 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc2ccccc2c1O)c1nc(C(C)(C)C)no1 ZINC000816590973 1048832533 /nfs/dbraw/zinc/83/25/33/1048832533.db2.gz QETPAHUVUBKUOG-GFCCVEGCSA-N 1 1 325.412 4.077 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1COc2ccc(Cl)cc21 ZINC000816556617 1048834707 /nfs/dbraw/zinc/83/47/07/1048834707.db2.gz OTWHENLZCBCKTC-CYBMUJFWSA-N 1 1 328.170 4.061 20 10 EICDMO Oc1c(C[N@@H+]2CCSC[C@H]2c2nccs2)ccc2ccccc21 ZINC000816571822 1048838641 /nfs/dbraw/zinc/83/86/41/1048838641.db2.gz RMQHYHIAOYNJTL-INIZCTEOSA-N 1 1 342.489 4.292 20 10 EICDMO Oc1c(C[N@H+]2CCSC[C@H]2c2nccs2)ccc2ccccc21 ZINC000816571822 1048838647 /nfs/dbraw/zinc/83/86/47/1048838647.db2.gz RMQHYHIAOYNJTL-INIZCTEOSA-N 1 1 342.489 4.292 20 10 EICDMO Oc1c(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)ccc2ccccc21 ZINC000816614803 1048846018 /nfs/dbraw/zinc/84/60/18/1048846018.db2.gz GCAQUHSDPSSISC-HXUWFJFHSA-N 1 1 344.458 4.182 20 10 EICDMO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@@H]1OCCc2sccc21 ZINC000816616852 1048846069 /nfs/dbraw/zinc/84/60/69/1048846069.db2.gz HUBFRNSUDZDEMP-FVMDXXJSSA-N 1 1 341.835 4.038 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1F ZINC000816657718 1048850842 /nfs/dbraw/zinc/85/08/42/1048850842.db2.gz YESUKUZHPFLDEF-FQEVSTJZSA-N 1 1 346.490 4.063 20 10 EICDMO OCC[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000817419820 1048967496 /nfs/dbraw/zinc/96/74/96/1048967496.db2.gz YOGNEULTVPXCQR-QGZVFWFLSA-N 1 1 325.452 4.044 20 10 EICDMO COc1ccc(Cl)c2c1C[C@@H]([N@@H+](C)Cc1ccccc1O)CC2 ZINC001171326843 1049289589 /nfs/dbraw/zinc/28/95/89/1049289589.db2.gz SFGOUWPBABZISO-AWEZNQCLSA-N 1 1 331.843 4.044 20 10 EICDMO Oc1cc2c(cc1C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1)CCC2 ZINC000747788713 1049458912 /nfs/dbraw/zinc/45/89/12/1049458912.db2.gz NOJQARFMSAGBKB-NRFANRHFSA-N 1 1 337.463 4.062 20 10 EICDMO CC[C@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1ccc(F)cc1O ZINC000812735672 1049554339 /nfs/dbraw/zinc/55/43/39/1049554339.db2.gz FENXGMRFENBIME-KDOFPFPSSA-N 1 1 346.421 4.238 20 10 EICDMO CC(C)([NH2+]Cc1cccc(Br)c1O)c1ccccc1F ZINC000813791438 1049817158 /nfs/dbraw/zinc/81/71/58/1049817158.db2.gz ASECISOICRZURU-UHFFFAOYSA-N 1 1 338.220 4.319 20 10 EICDMO C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@H]1OCCc2sccc21 ZINC000813792533 1049817527 /nfs/dbraw/zinc/81/75/27/1049817527.db2.gz ABJMOFWIBVBHHU-JDNHERCYSA-N 1 1 341.835 4.038 20 10 EICDMO CN(Cc1cccs1)c1ccc(C[N@@H+](C)Cc2ccc[nH]2)cc1 ZINC000823476758 1049851147 /nfs/dbraw/zinc/85/11/47/1049851147.db2.gz BIWICYRSSSCCCM-UHFFFAOYSA-N 1 1 325.481 4.345 20 10 EICDMO CN(Cc1cccs1)c1ccc(C[N@@H+](C)Cc2cccnc2)cc1 ZINC000824120175 1049898542 /nfs/dbraw/zinc/89/85/42/1049898542.db2.gz UGEPSUDAZZZIPR-UHFFFAOYSA-N 1 1 337.492 4.412 20 10 EICDMO Cc1cccc2c1CC[N@@H+](Cc1cc(Br)ccc1O)C2 ZINC001203636274 1050293755 /nfs/dbraw/zinc/29/37/55/1050293755.db2.gz RWMBNEMWYLAOBN-UHFFFAOYSA-N 1 1 332.241 4.021 20 10 EICDMO Cc1ccc(CNc2ccc3c(c2)[nH+]cn3C)cc1Br ZINC001178037487 1050373283 /nfs/dbraw/zinc/37/32/83/1050373283.db2.gz MMYKRLHURZDGJF-UHFFFAOYSA-N 1 1 330.229 4.256 20 10 EICDMO CCN(C)c1ccc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)cc1 ZINC000773767112 1050537973 /nfs/dbraw/zinc/53/79/73/1050537973.db2.gz WUVHPONMOPVENX-UHFFFAOYSA-N 1 1 346.478 4.308 20 10 EICDMO Cc1nn(-c2cccc(C)c2)cc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001179844855 1050796485 /nfs/dbraw/zinc/79/64/85/1050796485.db2.gz DVSKJUOUJPRWIR-UHFFFAOYSA-N 1 1 348.494 4.187 20 10 EICDMO Cc1cc(O)c(CN2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cc1Cl ZINC001179887935 1050802636 /nfs/dbraw/zinc/80/26/36/1050802636.db2.gz YMWHJDCQLMIBAY-GOSISDBHSA-N 1 1 344.886 4.060 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)cc1Cl ZINC001179887935 1050802643 /nfs/dbraw/zinc/80/26/43/1050802643.db2.gz YMWHJDCQLMIBAY-GOSISDBHSA-N 1 1 344.886 4.060 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)cc1Cl ZINC001179887935 1050802646 /nfs/dbraw/zinc/80/26/46/1050802646.db2.gz YMWHJDCQLMIBAY-GOSISDBHSA-N 1 1 344.886 4.060 20 10 EICDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)c(F)cc2[O-])C12CCCCC2 ZINC001180098851 1050886070 /nfs/dbraw/zinc/88/60/70/1050886070.db2.gz PUNVREBDPLIWKT-QZTJIDSGSA-N 1 1 339.426 4.230 20 10 EICDMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2O)C12CCCCC2 ZINC001180098851 1050886075 /nfs/dbraw/zinc/88/60/75/1050886075.db2.gz PUNVREBDPLIWKT-QZTJIDSGSA-N 1 1 339.426 4.230 20 10 EICDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)c(F)cc2O)C12CCCCC2 ZINC001180098851 1050886081 /nfs/dbraw/zinc/88/60/81/1050886081.db2.gz PUNVREBDPLIWKT-QZTJIDSGSA-N 1 1 339.426 4.230 20 10 EICDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1ccc(N(C)C)cc1C ZINC001180108715 1050888614 /nfs/dbraw/zinc/88/86/14/1050888614.db2.gz XGVGCFYAJSGTDD-UHFFFAOYSA-N 1 1 342.483 4.100 20 10 EICDMO CC[C@@H](c1ccccc1)[N@@H+](CC)Cc1ccc(OC)c(OC)c1O ZINC001180158613 1050905067 /nfs/dbraw/zinc/90/50/67/1050905067.db2.gz YKAQKGJTWOVQQC-KRWDZBQOSA-N 1 1 329.440 4.383 20 10 EICDMO Oc1cc(Cl)ccc1C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC001180228862 1050922692 /nfs/dbraw/zinc/92/26/92/1050922692.db2.gz CZDICFYAJNDUGK-UHFFFAOYSA-N 1 1 345.870 4.474 20 10 EICDMO COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC001180189743 1050924335 /nfs/dbraw/zinc/92/43/35/1050924335.db2.gz VRKFLFAHTRWSSR-QGZVFWFLSA-N 1 1 333.378 4.406 20 10 EICDMO COc1ccccc1[C@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC001180189743 1050924345 /nfs/dbraw/zinc/92/43/45/1050924345.db2.gz VRKFLFAHTRWSSR-QGZVFWFLSA-N 1 1 333.378 4.406 20 10 EICDMO COc1cc(Cl)cc(C[N@@H+]2CCc3cccc(F)c3[C@@H]2C)c1O ZINC001180238806 1050931684 /nfs/dbraw/zinc/93/16/84/1050931684.db2.gz BXJWMSTUGLERKN-NSHDSACASA-N 1 1 335.806 4.313 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CCc3cccc(F)c3[C@@H]2C)c1O ZINC001180238806 1050931689 /nfs/dbraw/zinc/93/16/89/1050931689.db2.gz BXJWMSTUGLERKN-NSHDSACASA-N 1 1 335.806 4.313 20 10 EICDMO Cc1ccc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c(O)c1 ZINC001180289285 1050955824 /nfs/dbraw/zinc/95/58/24/1050955824.db2.gz YSEZUMSMUVTSEQ-GHTZIAJQSA-N 1 1 338.495 4.186 20 10 EICDMO COc1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)cc1F ZINC000070975606 1050982604 /nfs/dbraw/zinc/98/26/04/1050982604.db2.gz AXEZRXFAQCFMBN-UHFFFAOYSA-N 1 1 341.382 4.335 20 10 EICDMO Oc1ccccc1C[N@@H+](CCc1cccc(Cl)c1)C[C@@H]1CCCO1 ZINC001180430048 1050987101 /nfs/dbraw/zinc/98/71/01/1050987101.db2.gz KXMRVRNCNOYNSA-IBGZPJMESA-N 1 1 345.870 4.269 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+](C)CC2CCCCC2)c1 ZINC001180539995 1051029555 /nfs/dbraw/zinc/02/95/55/1051029555.db2.gz DWLZLAUJLBQAGE-UHFFFAOYSA-N 1 1 326.278 4.475 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@@H+](C)CC2CCCCC2)c1 ZINC001180539995 1051029565 /nfs/dbraw/zinc/02/95/65/1051029565.db2.gz DWLZLAUJLBQAGE-UHFFFAOYSA-N 1 1 326.278 4.475 20 10 EICDMO C[C@H]([NH2+]Cc1cc(O)ccc1Br)c1ccc(N(C)C)cc1 ZINC000775365067 1051131015 /nfs/dbraw/zinc/13/10/15/1051131015.db2.gz RXDWOYUECSKIQA-LBPRGKRZSA-N 1 1 349.272 4.072 20 10 EICDMO COc1ccc(N2CCC[N@@H+](Cc3ccc(C)cc3Cl)CC2)cc1 ZINC001190445231 1051174556 /nfs/dbraw/zinc/17/45/56/1051174556.db2.gz FJSGPMJAQCCPAN-UHFFFAOYSA-N 1 1 344.886 4.369 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CC[C@](F)(c3ccccc3)C2)c1O ZINC001181214267 1051187855 /nfs/dbraw/zinc/18/78/55/1051187855.db2.gz UIPAFDAMGBTSMS-GOSISDBHSA-N 1 1 335.806 4.125 20 10 EICDMO CCC[C@H](C[N@@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1)OC ZINC001181566595 1051260206 /nfs/dbraw/zinc/26/02/06/1051260206.db2.gz YDBBGHKFBVDYIN-LJQANCHMSA-N 1 1 330.472 4.163 20 10 EICDMO Oc1c(F)cc(F)cc1C[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC001181741659 1051292160 /nfs/dbraw/zinc/29/21/60/1051292160.db2.gz TVYHLFVTZJMOPL-UHFFFAOYSA-N 1 1 339.332 4.328 20 10 EICDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000183801409 1051441494 /nfs/dbraw/zinc/44/14/94/1051441494.db2.gz LNHRJEYYNYQIKK-MRXNPFEDSA-N 1 1 341.451 4.099 20 10 EICDMO Cc1cc(F)ncc1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC001204153637 1051448714 /nfs/dbraw/zinc/44/87/14/1051448714.db2.gz IODGTOGNHHEGDP-UHFFFAOYSA-N 1 1 326.371 4.030 20 10 EICDMO Cc1cc(F)ncc1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC001204153637 1051448722 /nfs/dbraw/zinc/44/87/22/1051448722.db2.gz IODGTOGNHHEGDP-UHFFFAOYSA-N 1 1 326.371 4.030 20 10 EICDMO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)cc1 ZINC000774134933 1051477452 /nfs/dbraw/zinc/47/74/52/1051477452.db2.gz NTVDPVLUCVZOBV-PIGZYNQJSA-N 1 1 340.250 4.392 20 10 EICDMO CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774204312 1051499311 /nfs/dbraw/zinc/49/93/11/1051499311.db2.gz SSLHDRHPNLNNSN-VXGBXAGGSA-N 1 1 334.287 4.394 20 10 EICDMO C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774213915 1051505879 /nfs/dbraw/zinc/50/58/79/1051505879.db2.gz PNHWGIYUQCDNKL-QWRGUYRKSA-N 1 1 325.239 4.376 20 10 EICDMO Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)c1 ZINC000774256104 1051529495 /nfs/dbraw/zinc/52/94/95/1051529495.db2.gz DZYYTZMDARAPMY-GTNSWQLSSA-N 1 1 340.250 4.392 20 10 EICDMO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cc(Cl)c(Cl)cc1O ZINC000774271277 1051540511 /nfs/dbraw/zinc/54/05/11/1051540511.db2.gz IOLAIGPHQILJRY-FVSZBFQWSA-N 1 1 342.266 4.307 20 10 EICDMO CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000775490225 1051572901 /nfs/dbraw/zinc/57/29/01/1051572901.db2.gz AIRBYUJCEYQYKC-SWLSCSKDSA-N 1 1 345.314 4.472 20 10 EICDMO COc1cc(C)cc(C[N@H+]2CCC[C@]2(C)Cc2ccc(F)cc2)c1O ZINC001182452865 1051579181 /nfs/dbraw/zinc/57/91/81/1051579181.db2.gz PSKAJZAMSSOWQN-OAQYLSRUSA-N 1 1 343.442 4.446 20 10 EICDMO C[C@@]1(Cc2ccccc2F)CCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001182544537 1051636812 /nfs/dbraw/zinc/63/68/12/1051636812.db2.gz QHSTVTPGTUGVOK-IBGZPJMESA-N 1 1 335.369 4.407 20 10 EICDMO C[C@@]1(Cc2ccccc2F)CCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001182544537 1051636819 /nfs/dbraw/zinc/63/68/19/1051636819.db2.gz QHSTVTPGTUGVOK-IBGZPJMESA-N 1 1 335.369 4.407 20 10 EICDMO COc1ccc(N(C)CC[N@@H+](C)Cc2ccc(SC)s2)cc1 ZINC001182726582 1051689466 /nfs/dbraw/zinc/68/94/66/1051689466.db2.gz VUOUHRLEDMVRSP-UHFFFAOYSA-N 1 1 336.526 4.047 20 10 EICDMO Cc1cc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)ccc1N1CCCCC1 ZINC001192301570 1051696090 /nfs/dbraw/zinc/69/60/90/1051696090.db2.gz AVDUCLZCZQJCID-OAQYLSRUSA-N 1 1 342.527 4.234 20 10 EICDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1c1ccccc1 ZINC001176036459 1051881504 /nfs/dbraw/zinc/88/15/04/1051881504.db2.gz MPUDCRIJWJXYSS-XMSQKQJNSA-N 1 1 336.479 4.106 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)cc1 ZINC001176532860 1052115232 /nfs/dbraw/zinc/11/52/32/1052115232.db2.gz NPBBFYMPWUTBNM-HMFYCAOWSA-N 1 1 338.495 4.493 20 10 EICDMO C[C@H]1CN(c2cccc(Cl)c2)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001194551843 1052168051 /nfs/dbraw/zinc/16/80/51/1052168051.db2.gz NAGMZQBEJVBNEG-INIZCTEOSA-N 1 1 343.902 4.117 20 10 EICDMO CCN(CC[NH2+]Cc1c(O)ccc(Cl)c1F)c1cccc(C)c1 ZINC001177112691 1052232780 /nfs/dbraw/zinc/23/27/80/1052232780.db2.gz SDSAFDZRQOPZLZ-UHFFFAOYSA-N 1 1 336.838 4.109 20 10 EICDMO COc1ccc(N2CCC[N@@H+](Cc3ccc(C(F)F)cc3)CC2)cc1 ZINC000763820570 1052587575 /nfs/dbraw/zinc/58/75/75/1052587575.db2.gz LAUAEBIYGBWAOI-UHFFFAOYSA-N 1 1 346.421 4.345 20 10 EICDMO COc1cc(CNc2ccc3c(c2)C[N@H+](C)C3)c(O)c(C(C)(C)C)c1 ZINC000850208660 1053087746 /nfs/dbraw/zinc/08/77/46/1053087746.db2.gz XFZQTFNEEJXYNN-UHFFFAOYSA-N 1 1 340.467 4.256 20 10 EICDMO COc1ccc(C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)cc1C ZINC000850402814 1053168235 /nfs/dbraw/zinc/16/82/35/1053168235.db2.gz XSBXHPQYCQRKCN-OAHLLOKOSA-N 1 1 340.250 4.134 20 10 EICDMO Oc1c(Br)cccc1C[NH2+]C1(c2ccccc2)CCC1 ZINC000101596415 1053233837 /nfs/dbraw/zinc/23/38/37/1053233837.db2.gz WXVRBJKVUYEIHS-UHFFFAOYSA-N 1 1 332.241 4.324 20 10 EICDMO C[C@@H](NCCC[NH+]1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000764663225 1053249969 /nfs/dbraw/zinc/24/99/69/1053249969.db2.gz QTKIXKQDZWJPMQ-LJQANCHMSA-N 1 1 329.532 4.204 20 10 EICDMO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000764663225 1053249991 /nfs/dbraw/zinc/24/99/91/1053249991.db2.gz QTKIXKQDZWJPMQ-LJQANCHMSA-N 1 1 329.532 4.204 20 10 EICDMO C[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1cccc(C(F)(F)F)c1O ZINC000850525512 1053285797 /nfs/dbraw/zinc/28/57/97/1053285797.db2.gz JWAVIYZCFQSSOP-JQAFLVLXSA-N 1 1 337.341 4.240 20 10 EICDMO COCc1csc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)c1 ZINC000850532899 1053293446 /nfs/dbraw/zinc/29/34/46/1053293446.db2.gz OVTZZIQQRJMSOZ-SNVBAGLBSA-N 1 1 345.386 4.470 20 10 EICDMO CC[C@H]([NH2+][C@@H](c1ccccc1)[C@@H](O)C(C)C)c1ccc(F)cc1O ZINC000850554434 1053310083 /nfs/dbraw/zinc/31/00/83/1053310083.db2.gz JPIDWIDILVZQSC-IHPCNDPISA-N 1 1 331.431 4.330 20 10 EICDMO C[C@H](O)[C@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)c1ccccc1 ZINC000850584747 1053334124 /nfs/dbraw/zinc/33/41/24/1053334124.db2.gz SVMXJCXNPCPUPY-DINDLPBHSA-N 1 1 340.250 4.472 20 10 EICDMO COc1ccc(O)c(C[N@@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)c1 ZINC000775650370 1053368458 /nfs/dbraw/zinc/36/84/58/1053368458.db2.gz YYIGCAPLNDPTMU-SCLBCKFNSA-N 1 1 327.424 4.282 20 10 EICDMO Cc1cccc(C[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)c1O ZINC000775659011 1053420203 /nfs/dbraw/zinc/42/02/03/1053420203.db2.gz TWXNPYQGIYYUMU-UHFFFAOYSA-N 1 1 335.451 4.155 20 10 EICDMO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+](C)Cc1ccccc1O ZINC000109770874 1053422477 /nfs/dbraw/zinc/42/24/77/1053422477.db2.gz VTCZSAMGMNSTMA-HNNXBMFYSA-N 1 1 334.419 4.004 20 10 EICDMO Cc1cccc(C[N@@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1O ZINC000775667485 1053457119 /nfs/dbraw/zinc/45/71/19/1053457119.db2.gz JETCMEMDOFYQQK-FPOVZHCZSA-N 1 1 325.452 4.300 20 10 EICDMO Cc1cc(C[NH2+]Cc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)on1 ZINC000865555013 1053547272 /nfs/dbraw/zinc/54/72/72/1053547272.db2.gz PXYPURPPBWGYAS-CYBMUJFWSA-N 1 1 333.863 4.163 20 10 EICDMO COc1cc(O)c(C[N@@H+](C)[C@H](C)Cc2ccc(Cl)cc2)cc1OC ZINC000775704347 1053619064 /nfs/dbraw/zinc/61/90/64/1053619064.db2.gz BEZOSABCULWCMX-CYBMUJFWSA-N 1 1 349.858 4.126 20 10 EICDMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC000111236133 1053666001 /nfs/dbraw/zinc/66/60/01/1053666001.db2.gz JXTNOIRHUDAWFA-JKSUJKDBSA-N 1 1 340.467 4.365 20 10 EICDMO CC[C@H]1C[C@@H](C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000780754941 1053668627 /nfs/dbraw/zinc/66/86/27/1053668627.db2.gz RKTKSALUYRBSST-FPOVZHCZSA-N 1 1 330.516 4.314 20 10 EICDMO CC[C@@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1ccc(C)cc1O ZINC000842922769 1053684004 /nfs/dbraw/zinc/68/40/04/1053684004.db2.gz DALZXBUCDOKJBM-HLAWJBBLSA-N 1 1 338.495 4.087 20 10 EICDMO C[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccc(N2CCCCC2)cc1 ZINC000866563403 1053785000 /nfs/dbraw/zinc/78/50/00/1053785000.db2.gz LETVWKMMNYRBJJ-CQSZACIVSA-N 1 1 348.441 4.199 20 10 EICDMO CCN(CC)c1ccc(CNCC(C)(C)[NH+]2CCCCC2)cc1F ZINC001198942782 1054309188 /nfs/dbraw/zinc/30/91/88/1054309188.db2.gz DYVGNVJGRYHCTB-UHFFFAOYSA-N 1 1 335.511 4.026 20 10 EICDMO Cc1cccc(C[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)c1O ZINC000858010337 1054394850 /nfs/dbraw/zinc/39/48/50/1054394850.db2.gz GWBRFGSCXBEHEM-IBGZPJMESA-N 1 1 338.451 4.016 20 10 EICDMO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858100417 1054416113 /nfs/dbraw/zinc/41/61/13/1054416113.db2.gz RAPKUMNXLMZBDM-NSHDSACASA-N 1 1 338.373 4.029 20 10 EICDMO CN(C)c1cc(F)c(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)cc1F ZINC000858115105 1054418528 /nfs/dbraw/zinc/41/85/28/1054418528.db2.gz DBBCNDZHHMVKSW-PMACEKPBSA-N 1 1 346.421 4.041 20 10 EICDMO Oc1ccc2ccccc2c1C[N@@H+](Cc1cncnc1)C1CCCC1 ZINC000123983242 1054425092 /nfs/dbraw/zinc/42/50/92/1054425092.db2.gz VLMFBHYKAQHOLE-UHFFFAOYSA-N 1 1 333.435 4.280 20 10 EICDMO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCc3scnc32)cc1F ZINC000858364083 1054475545 /nfs/dbraw/zinc/47/55/45/1054475545.db2.gz RGWOQXOIHCEBGI-OAHLLOKOSA-N 1 1 333.476 4.296 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1ccns1)c1cc(Br)c(F)cc1O ZINC000858576490 1054523814 /nfs/dbraw/zinc/52/38/14/1054523814.db2.gz LGSOMSXDFUAUGS-SFYZADRCSA-N 1 1 345.237 4.162 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+]C1CC(OCc2ccccc2)C1 ZINC001201902324 1054939099 /nfs/dbraw/zinc/93/90/99/1054939099.db2.gz WXIQOKMFWWVYHV-UHFFFAOYSA-N 1 1 335.806 4.022 20 10 EICDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2c(O)cccc2Br)n1 ZINC000862245968 1055033205 /nfs/dbraw/zinc/03/32/05/1055033205.db2.gz DCMMTALASHFTRP-MRXNPFEDSA-N 1 1 347.256 4.195 20 10 EICDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2c(O)cccc2Br)n1 ZINC000862245967 1055035888 /nfs/dbraw/zinc/03/58/88/1055035888.db2.gz DCMMTALASHFTRP-INIZCTEOSA-N 1 1 347.256 4.195 20 10 EICDMO Cc1cccc(O)c1C[NH2+][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000877472613 1055058877 /nfs/dbraw/zinc/05/88/77/1055058877.db2.gz XMMAJNUGYTUILW-ZDUSSCGKSA-N 1 1 341.386 4.049 20 10 EICDMO C[C@H](C[N@@H+](Cc1ccccc1O)C1CCCC1)NC(=O)OC(C)(C)C ZINC000785453091 1056418645 /nfs/dbraw/zinc/41/86/45/1056418645.db2.gz AYIAUQHXXSZPMG-OAHLLOKOSA-N 1 1 348.487 4.050 20 10 EICDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000742164144 1058525440 /nfs/dbraw/zinc/52/54/40/1058525440.db2.gz CTWFQSRYUHGKSH-SFHVURJKSA-N 1 1 347.499 4.319 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H](O)c2cccc(Cl)c2)cc1 ZINC000743839550 1059140727 /nfs/dbraw/zinc/14/07/27/1059140727.db2.gz KFOIZBMPLGNMIL-FQEVSTJZSA-N 1 1 346.902 4.352 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000743870225 1059186627 /nfs/dbraw/zinc/18/66/27/1059186627.db2.gz MBWHMHUKGOHSHO-QGZVFWFLSA-N 1 1 340.467 4.248 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000743870094 1059187707 /nfs/dbraw/zinc/18/77/07/1059187707.db2.gz HDVBKHRZICMTFF-QGZVFWFLSA-N 1 1 340.467 4.248 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000743870154 1059192299 /nfs/dbraw/zinc/19/22/99/1059192299.db2.gz JIUGYGQTFULKRB-INIZCTEOSA-N 1 1 340.467 4.194 20 10 EICDMO CCC[N@@H+](CCC(=O)Nc1cccc(F)c1C)Cc1ccccc1O ZINC000744392562 1059444575 /nfs/dbraw/zinc/44/45/75/1059444575.db2.gz TXUOEAGUAMDZSW-UHFFFAOYSA-N 1 1 344.430 4.081 20 10 EICDMO CC[C@@H]([NH2+]CC[C@@H](C)N(C)Cc1ccccc1)c1ccccc1O ZINC000379624598 1059617341 /nfs/dbraw/zinc/61/73/41/1059617341.db2.gz DLQDSYZXABMXJC-YLJYHZDGSA-N 1 1 326.484 4.344 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1nc(C(F)(F)F)cs1 ZINC000274607484 1018830459 /nfs/dbraw/zinc/83/04/59/1018830459.db2.gz MQPJJXDQCRSSOW-SNVBAGLBSA-N 1 1 329.391 4.079 20 10 EICDMO Cc1cc(C[N@H+]2CCSC[C@@H]2c2ccccc2)ccc1N(C)C ZINC001167417915 1022192418 /nfs/dbraw/zinc/19/24/18/1022192418.db2.gz ZXGQRFRRURYLIZ-HXUWFJFHSA-N 1 1 326.509 4.351 20 10 EICDMO CC[C@H]([NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1O ZINC000310799505 1022280673 /nfs/dbraw/zinc/28/06/73/1022280673.db2.gz GKCCAZLLRIWOCX-LMNJBCLMSA-N 1 1 338.495 4.344 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1cc(-c2cccnc2)n[nH]1)C1CCCC1 ZINC000378348469 1022732417 /nfs/dbraw/zinc/73/24/17/1022732417.db2.gz YDEHGFOYSDFBIP-UHFFFAOYSA-N 1 1 348.450 4.122 20 10 EICDMO CCOc1cccc([C@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)c1 ZINC000180695433 1022796208 /nfs/dbraw/zinc/79/62/08/1022796208.db2.gz IATGRGRHLYQKRE-LBPRGKRZSA-N 1 1 347.842 4.498 20 10 EICDMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1nccn1-c1ccccc1 ZINC000376788918 1023311842 /nfs/dbraw/zinc/31/18/42/1023311842.db2.gz UFNPFQZDWCCIPS-ZIAGYGMSSA-N 1 1 325.387 4.129 20 10 EICDMO [O-]c1cc2ccccc2cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167972792 1026131804 /nfs/dbraw/zinc/13/18/04/1026131804.db2.gz BQVAQMAAJSLPGL-SEJPIABJSA-N 1 1 336.479 4.040 20 10 EICDMO [O-]c1cc2ccccc2cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167972792 1026131813 /nfs/dbraw/zinc/13/18/13/1026131813.db2.gz BQVAQMAAJSLPGL-SEJPIABJSA-N 1 1 336.479 4.040 20 10 EICDMO CC(C)(C)C[N@@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000728902039 1026337576 /nfs/dbraw/zinc/33/75/76/1026337576.db2.gz AXHZLVYKQAFQSG-UHFFFAOYSA-N 1 1 327.424 4.169 20 10 EICDMO COc1cc(C)cc(CNc2ccc(-n3c[nH+]c(C)c3C)cc2)c1O ZINC000894819579 1026472381 /nfs/dbraw/zinc/47/23/81/1026472381.db2.gz WVFWSRUTMJNFNA-UHFFFAOYSA-N 1 1 337.423 4.124 20 10 EICDMO Oc1c(Br)cccc1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000048795169 1026638176 /nfs/dbraw/zinc/63/81/76/1026638176.db2.gz FWZPIJNSHURGEC-MRXNPFEDSA-N 1 1 332.241 4.322 20 10 EICDMO Oc1c(Br)cccc1C[NH2+][C@H]1CCCc2ccccc21 ZINC000048795167 1026639047 /nfs/dbraw/zinc/63/90/47/1026639047.db2.gz FWZPIJNSHURGEC-INIZCTEOSA-N 1 1 332.241 4.322 20 10 EICDMO COc1ccc(N2CCC[N@@H+](Cc3ccccc3Cl)CC2)cc1 ZINC000108092870 1026795603 /nfs/dbraw/zinc/79/56/03/1026795603.db2.gz FMFGBCFSSKPJFF-UHFFFAOYSA-N 1 1 330.859 4.061 20 10 EICDMO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000167932764 1029626463 /nfs/dbraw/zinc/62/64/63/1029626463.db2.gz WKJOSKBXYOORTC-MAUKXSAKSA-N 1 1 341.503 4.043 20 10 EICDMO C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001168187381 1030882506 /nfs/dbraw/zinc/88/25/06/1030882506.db2.gz GCJZFNORYXUPRY-CYBMUJFWSA-N 1 1 331.843 4.131 20 10 EICDMO C[C@]1(C[NH2+]Cc2cccc(Cl)c2[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000310188943 1031050904 /nfs/dbraw/zinc/05/09/04/1031050904.db2.gz PPDUJNQGZPUWLB-HXUWFJFHSA-N 1 1 344.886 4.047 20 10 EICDMO CC[C@H]([NH2+][C@H]1CCOc2c(OC)cccc21)c1ccc(F)cc1O ZINC000375842849 1031343664 /nfs/dbraw/zinc/34/36/64/1031343664.db2.gz WXFBOCYCSOCZFL-HOTGVXAUSA-N 1 1 331.387 4.104 20 10 EICDMO CC[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccccc1)c1ccc(F)cc1O ZINC000375894736 1031449635 /nfs/dbraw/zinc/44/96/35/1031449635.db2.gz GIGKBOCRSAWERB-ICSRJNTNSA-N 1 1 339.414 4.095 20 10 EICDMO CC(C)n1cc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000178867462 1034801035 /nfs/dbraw/zinc/80/10/35/1034801035.db2.gz XCQONWDVCGNZIN-UHFFFAOYSA-N 1 1 326.488 4.086 20 10 EICDMO C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc2ccccc2c1[O-] ZINC000323861764 1035719297 /nfs/dbraw/zinc/71/92/97/1035719297.db2.gz PAMUCUUFSBLOCP-SJORKVTESA-N 1 1 326.484 4.461 20 10 EICDMO C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc2ccccc2c1[O-] ZINC000323861764 1035719315 /nfs/dbraw/zinc/71/93/15/1035719315.db2.gz PAMUCUUFSBLOCP-SJORKVTESA-N 1 1 326.484 4.461 20 10 EICDMO CCc1ccc([C@@H](COC)[NH2+][C@H](C)c2ccc(N(C)CC)cc2)o1 ZINC000165226358 1036728678 /nfs/dbraw/zinc/72/86/78/1036728678.db2.gz LAIXUIPHKCUZEB-DNVCBOLYSA-N 1 1 330.472 4.336 20 10 EICDMO CC(C)[N@@H+](CCc1nccs1)Cc1c(O)ccc2ccccc21 ZINC000151548137 1041401598 /nfs/dbraw/zinc/40/15/98/1041401598.db2.gz MCUHTMVHSZSCMY-UHFFFAOYSA-N 1 1 326.465 4.455 20 10 EICDMO C[C@@H]1CCCC[N@@H+]1CCCNCc1ccc(N2CCCCC2)cc1 ZINC000324057972 1041819056 /nfs/dbraw/zinc/81/90/56/1041819056.db2.gz WDJGBBAVDOLAJW-LJQANCHMSA-N 1 1 329.532 4.031 20 10 EICDMO C[C@@H]1CCCC[N@H+]1CCCNCc1ccc(N2CCCCC2)cc1 ZINC000324057972 1041819060 /nfs/dbraw/zinc/81/90/60/1041819060.db2.gz WDJGBBAVDOLAJW-LJQANCHMSA-N 1 1 329.532 4.031 20 10 EICDMO COc1c(C)cnc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)c1C ZINC000727585547 1043238755 /nfs/dbraw/zinc/23/87/55/1043238755.db2.gz CGXIECHOBNKMGH-UHFFFAOYSA-N 1 1 341.499 4.184 20 10 EICDMO CCC[N@@H+](Cc1nnc(-c2ccc(C)cc2)o1)Cc1ccccc1O ZINC000727830816 1043311995 /nfs/dbraw/zinc/31/19/95/1043311995.db2.gz PPZHFPXOBMJPCC-UHFFFAOYSA-N 1 1 337.423 4.163 20 10 EICDMO CC(C)N1CCC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000727823114 1043318053 /nfs/dbraw/zinc/31/80/53/1043318053.db2.gz AXZUYFIZWMVWDE-UHFFFAOYSA-N 1 1 338.451 4.208 20 10 EICDMO CC(C)[N@@H+]1CCCN(Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000727823114 1043318059 /nfs/dbraw/zinc/31/80/59/1043318059.db2.gz AXZUYFIZWMVWDE-UHFFFAOYSA-N 1 1 338.451 4.208 20 10 EICDMO CC(C)[N@H+]1CCCN(Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000727823114 1043318065 /nfs/dbraw/zinc/31/80/65/1043318065.db2.gz AXZUYFIZWMVWDE-UHFFFAOYSA-N 1 1 338.451 4.208 20 10 EICDMO CC[C@@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C[C@@H](C)O1 ZINC000732186118 1043883990 /nfs/dbraw/zinc/88/39/90/1043883990.db2.gz XUOGHSOECXXCHW-UKRRQHHQSA-N 1 1 325.408 4.291 20 10 EICDMO CC(C)n1ccc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000766091539 1044033634 /nfs/dbraw/zinc/03/36/34/1044033634.db2.gz BIEQOCCIPKEIHU-QGZVFWFLSA-N 1 1 326.488 4.305 20 10 EICDMO C[N@@H+](Cc1c(O)cccc1Br)C1CCC(F)(F)CC1 ZINC000707150436 1044811444 /nfs/dbraw/zinc/81/14/44/1044811444.db2.gz PEKUFJTXUWUBLT-UHFFFAOYSA-N 1 1 334.204 4.164 20 10 EICDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2c(O)ccc3ccc(OC)cc32)C1(C)C ZINC000740863692 1045231990 /nfs/dbraw/zinc/23/19/90/1045231990.db2.gz WSNNADLWYMOWKA-UXHICEINSA-N 1 1 343.467 4.189 20 10 EICDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)C1(C)C ZINC000740862191 1045232370 /nfs/dbraw/zinc/23/23/70/1045232370.db2.gz AJAHNISCUBTEMX-DLBZAZTESA-N 1 1 335.488 4.031 20 10 EICDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000790935473 1045625559 /nfs/dbraw/zinc/62/55/59/1045625559.db2.gz WTGSFNOVASLJLZ-OXJNMPFZSA-N 1 1 325.452 4.185 20 10 EICDMO Cc1nc2ccccc2n1CCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790947612 1045632291 /nfs/dbraw/zinc/63/22/91/1045632291.db2.gz UHUKUROYTXPTII-UHFFFAOYSA-N 1 1 347.821 4.023 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000790954743 1045635098 /nfs/dbraw/zinc/63/50/98/1045635098.db2.gz XIXMLVRMORDXOE-CQSZACIVSA-N 1 1 339.769 4.327 20 10 EICDMO CC(C)(C)OC(=O)CCCCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790971821 1045660196 /nfs/dbraw/zinc/66/01/96/1045660196.db2.gz VYZHDRUXGIYQSY-UHFFFAOYSA-N 1 1 345.842 4.176 20 10 EICDMO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790982082 1045670138 /nfs/dbraw/zinc/67/01/38/1045670138.db2.gz PZWACOKTIDEQDX-QGHHPUGFSA-N 1 1 341.785 4.190 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1cc2ccccc2o1)C[C@H]1CCCO1 ZINC000767900713 1045677202 /nfs/dbraw/zinc/67/72/02/1045677202.db2.gz UKQLAKRYFSLUMK-GOSISDBHSA-N 1 1 337.419 4.320 20 10 EICDMO Oc1ccccc1C[N@@H+](C/C=C/c1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000768163411 1045730202 /nfs/dbraw/zinc/73/02/02/1045730202.db2.gz YVCCUROCCAYJEO-GECPCNCSSA-N 1 1 341.426 4.226 20 10 EICDMO Oc1ccccc1C[N@@H+](C[C@@H]1C[C@@H]1c1ccccc1)C[C@@H]1CCCO1 ZINC000768162529 1045730919 /nfs/dbraw/zinc/73/09/19/1045730919.db2.gz NXEMXSXSBBPKFP-PCCBWWKXSA-N 1 1 337.463 4.177 20 10 EICDMO COc1cccc(O)c1C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000768173070 1045738250 /nfs/dbraw/zinc/73/82/50/1045738250.db2.gz TYEWARSCTBOWJS-UHFFFAOYSA-N 1 1 329.421 4.258 20 10 EICDMO COc1cccc(O)c1C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000768173070 1045738265 /nfs/dbraw/zinc/73/82/65/1045738265.db2.gz TYEWARSCTBOWJS-UHFFFAOYSA-N 1 1 329.421 4.258 20 10 EICDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(Cl)ccc1O ZINC000768203519 1045740564 /nfs/dbraw/zinc/74/05/64/1045740564.db2.gz KABHZYVBEZBQLQ-UHFFFAOYSA-N 1 1 335.831 4.085 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2c(C)nc3sccn23)cc1 ZINC000768208102 1045743802 /nfs/dbraw/zinc/74/38/02/1045743802.db2.gz NFBPYDMXRIUXRS-UHFFFAOYSA-N 1 1 342.512 4.182 20 10 EICDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(C)c(C)cc2O)cc1OC ZINC000768231415 1045759027 /nfs/dbraw/zinc/75/90/27/1045759027.db2.gz WOQSSKDGMPTVPL-GOSISDBHSA-N 1 1 341.451 4.363 20 10 EICDMO CCn1c2ccccc2nc1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000768257535 1045768928 /nfs/dbraw/zinc/76/89/28/1045768928.db2.gz LCWISPRDSOMIDZ-UHFFFAOYSA-N 1 1 348.494 4.287 20 10 EICDMO CCn1c2ccccc2nc1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000768257535 1045768949 /nfs/dbraw/zinc/76/89/49/1045768949.db2.gz LCWISPRDSOMIDZ-UHFFFAOYSA-N 1 1 348.494 4.287 20 10 EICDMO C[C@@H](c1ccccc1F)[N@H+](C)Cc1cccc(Br)c1O ZINC000768265246 1045771130 /nfs/dbraw/zinc/77/11/30/1045771130.db2.gz SVEMGVPUQAVMPG-NSHDSACASA-N 1 1 338.220 4.487 20 10 EICDMO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1cccc(Br)c1O ZINC000768265246 1045771152 /nfs/dbraw/zinc/77/11/52/1045771152.db2.gz SVEMGVPUQAVMPG-NSHDSACASA-N 1 1 338.220 4.487 20 10 EICDMO Cc1cc(O)c(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1C ZINC000768335962 1045790130 /nfs/dbraw/zinc/79/01/30/1045790130.db2.gz CPUGVGLTYBYBIH-UHFFFAOYSA-N 1 1 326.396 4.082 20 10 EICDMO CCOc1cccc(C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)c1O ZINC000768423510 1045805752 /nfs/dbraw/zinc/80/57/52/1045805752.db2.gz GFJNBLDTKJKYEO-OAQYLSRUSA-N 1 1 348.446 4.198 20 10 EICDMO CCOc1cccc(C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)c1O ZINC000768423510 1045805755 /nfs/dbraw/zinc/80/57/55/1045805755.db2.gz GFJNBLDTKJKYEO-OAQYLSRUSA-N 1 1 348.446 4.198 20 10 EICDMO CCC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@@H]1CCc2ccccc21 ZINC000768445042 1045806906 /nfs/dbraw/zinc/80/69/06/1045806906.db2.gz PZFBGPFCIILMQT-GOSISDBHSA-N 1 1 341.451 4.309 20 10 EICDMO COc1cc(O)c(C[N@H+](Cc2ccccc2F)CC(C)C)cc1OC ZINC000768441113 1045807278 /nfs/dbraw/zinc/80/72/78/1045807278.db2.gz VLPJMFBTTHYDII-UHFFFAOYSA-N 1 1 347.430 4.207 20 10 EICDMO COc1cc(O)c(C[N@H+]2CC[C@H](C)[C@@H]2c2cccc(F)c2)cc1OC ZINC000768464955 1045810695 /nfs/dbraw/zinc/81/06/95/1045810695.db2.gz CXQKZMFBWCWAPX-RNODOKPDSA-N 1 1 345.414 4.132 20 10 EICDMO COc1cc(O)c(C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000768466477 1045811058 /nfs/dbraw/zinc/81/10/58/1045811058.db2.gz QQGDLONEBXPFSN-OAHLLOKOSA-N 1 1 333.815 4.010 20 10 EICDMO COc1cc(O)c(C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000768466477 1045811060 /nfs/dbraw/zinc/81/10/60/1045811060.db2.gz QQGDLONEBXPFSN-OAHLLOKOSA-N 1 1 333.815 4.010 20 10 EICDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)C[C@@H](c2ccsc2)O1 ZINC000768465340 1045811242 /nfs/dbraw/zinc/81/12/42/1045811242.db2.gz ZQSKZGNSWAZESQ-XOBRGWDASA-N 1 1 343.492 4.295 20 10 EICDMO COc1cc(O)c(C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000768466473 1045811446 /nfs/dbraw/zinc/81/14/46/1045811446.db2.gz QQGDLONEBXPFSN-HNNXBMFYSA-N 1 1 333.815 4.010 20 10 EICDMO COc1cc(O)c(C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000768466473 1045811444 /nfs/dbraw/zinc/81/14/44/1045811444.db2.gz QQGDLONEBXPFSN-HNNXBMFYSA-N 1 1 333.815 4.010 20 10 EICDMO CCC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccccc1O ZINC000768542377 1045817807 /nfs/dbraw/zinc/81/78/07/1045817807.db2.gz WAQFPDOOJKKQLQ-UHFFFAOYSA-N 1 1 334.803 4.366 20 10 EICDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1O ZINC000768872101 1045849811 /nfs/dbraw/zinc/84/98/11/1045849811.db2.gz CPGSPVMAHSHQRC-UHFFFAOYSA-N 1 1 338.363 4.192 20 10 EICDMO CCCCOc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1OC ZINC000768872269 1045849919 /nfs/dbraw/zinc/84/99/19/1045849919.db2.gz GNBQXVWESLIDRI-UHFFFAOYSA-N 1 1 329.440 4.212 20 10 EICDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1c([O-])ccc(Cl)c1F)CCC2 ZINC000792166863 1045870445 /nfs/dbraw/zinc/87/04/45/1045870445.db2.gz ULJVWRYFOMBZAY-ZDUSSCGKSA-N 1 1 340.851 4.459 20 10 EICDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1c(O)ccc(Cl)c1F)CCC2 ZINC000792166863 1045870461 /nfs/dbraw/zinc/87/04/61/1045870461.db2.gz ULJVWRYFOMBZAY-ZDUSSCGKSA-N 1 1 340.851 4.459 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000792169425 1045873130 /nfs/dbraw/zinc/87/31/30/1045873130.db2.gz JTTJRGSHWUPJKQ-OAHLLOKOSA-N 1 1 349.833 4.223 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000792169425 1045873133 /nfs/dbraw/zinc/87/31/33/1045873133.db2.gz JTTJRGSHWUPJKQ-OAHLLOKOSA-N 1 1 349.833 4.223 20 10 EICDMO CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c(O)c1 ZINC000792186654 1045876165 /nfs/dbraw/zinc/87/61/65/1045876165.db2.gz GGXYDLNUZQEBFS-OAHLLOKOSA-N 1 1 331.378 4.201 20 10 EICDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(SC)c(OC)c2)c(O)c1 ZINC000769192496 1045885524 /nfs/dbraw/zinc/88/55/24/1045885524.db2.gz LRIPOAFIZBKNCV-UHFFFAOYSA-N 1 1 347.480 4.153 20 10 EICDMO COc1cc(C[N@@H+](C)Cc2c(O)cccc2Cl)ccc1SC ZINC000769192032 1045885650 /nfs/dbraw/zinc/88/56/50/1045885650.db2.gz GRTCQFSQJCITFY-UHFFFAOYSA-N 1 1 337.872 4.408 20 10 EICDMO CCC[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccccc1O ZINC000769200676 1045894325 /nfs/dbraw/zinc/89/43/25/1045894325.db2.gz IVLBWFMWHRLWBK-UHFFFAOYSA-N 1 1 339.414 4.129 20 10 EICDMO COc1cccc(O)c1C[N@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000769328265 1045924085 /nfs/dbraw/zinc/92/40/85/1045924085.db2.gz FOQQYBNSKCYJLZ-UHFFFAOYSA-N 1 1 348.446 4.307 20 10 EICDMO COc1cccc(O)c1C[N@@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000769328265 1045924102 /nfs/dbraw/zinc/92/41/02/1045924102.db2.gz FOQQYBNSKCYJLZ-UHFFFAOYSA-N 1 1 348.446 4.307 20 10 EICDMO CCCO[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000769382924 1045943176 /nfs/dbraw/zinc/94/31/76/1045943176.db2.gz CXLIVCVRQZIBHW-OAQYLSRUSA-N 1 1 330.516 4.458 20 10 EICDMO CCOc1cccc(C[N@@H+](CCc2ccc(F)cc2)C2CC2)c1O ZINC000769403548 1045952060 /nfs/dbraw/zinc/95/20/60/1045952060.db2.gz DJROCNMJYOJMEC-UHFFFAOYSA-N 1 1 329.415 4.137 20 10 EICDMO CCN1CC[C@H]([N@@H+](C)Cc2cc(-c3ccccc3)ccc2O)[C@@H](C)C1 ZINC000769482767 1045969947 /nfs/dbraw/zinc/96/99/47/1045969947.db2.gz DYWYWNIQRSLXSU-UWJYYQICSA-N 1 1 338.495 4.221 20 10 EICDMO CCN1CC[C@H]([N@H+](C)Cc2cc(-c3ccccc3)ccc2O)[C@@H](C)C1 ZINC000769482767 1045969939 /nfs/dbraw/zinc/96/99/39/1045969939.db2.gz DYWYWNIQRSLXSU-UWJYYQICSA-N 1 1 338.495 4.221 20 10 EICDMO CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1C ZINC000769470641 1045984733 /nfs/dbraw/zinc/98/47/33/1045984733.db2.gz MPHUSXWRLFSMHJ-SMDDNHRTSA-N 1 1 331.287 4.004 20 10 EICDMO CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1C ZINC000769470641 1045984741 /nfs/dbraw/zinc/98/47/41/1045984741.db2.gz MPHUSXWRLFSMHJ-SMDDNHRTSA-N 1 1 331.287 4.004 20 10 EICDMO CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1C ZINC000769470641 1045984723 /nfs/dbraw/zinc/98/47/23/1045984723.db2.gz MPHUSXWRLFSMHJ-SMDDNHRTSA-N 1 1 331.287 4.004 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](CC)CCc2nccs2)cc1F ZINC000769517646 1046007562 /nfs/dbraw/zinc/00/75/62/1046007562.db2.gz RDCHPWRBCQYELR-UHFFFAOYSA-N 1 1 335.492 4.193 20 10 EICDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H](c2ccco2)C1 ZINC000769524385 1046009194 /nfs/dbraw/zinc/00/91/94/1046009194.db2.gz DJYBLYJVIZSKPI-YLJYHZDGSA-N 1 1 340.467 4.089 20 10 EICDMO Cc1ccc(-n2cnc3c2CC[N@H+](Cc2cc(C)cc(C)c2O)C3)cc1 ZINC000792707482 1046058462 /nfs/dbraw/zinc/05/84/62/1046058462.db2.gz MOGCSCIWALSMJI-UHFFFAOYSA-N 1 1 347.462 4.061 20 10 EICDMO Cc1ccc(-n2cnc3c2CC[N@@H+](Cc2cc(C)cc(C)c2O)C3)cc1 ZINC000792707482 1046058476 /nfs/dbraw/zinc/05/84/76/1046058476.db2.gz MOGCSCIWALSMJI-UHFFFAOYSA-N 1 1 347.462 4.061 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1O ZINC000769867064 1046085725 /nfs/dbraw/zinc/08/57/25/1046085725.db2.gz XAUPMIPLCAKZMY-SNVBAGLBSA-N 1 1 335.753 4.023 20 10 EICDMO CO[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)CC1(C)C ZINC001170426822 1046158348 /nfs/dbraw/zinc/15/83/48/1046158348.db2.gz YGZRHNHFSMATGA-HXUWFJFHSA-N 1 1 330.516 4.232 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000770327484 1046180464 /nfs/dbraw/zinc/18/04/64/1046180464.db2.gz QYTJWMRCWKLUKO-PMACEKPBSA-N 1 1 342.483 4.214 20 10 EICDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@@]4(C)[C@@H](C3)C4(F)F)c2c1 ZINC000793522734 1046263967 /nfs/dbraw/zinc/26/39/67/1046263967.db2.gz FDHYBJZRBNJHSO-MSOLQXFVSA-N 1 1 333.378 4.031 20 10 EICDMO CN(C)c1ccc(C[N@H+](Cc2cc(-c3ccco3)on2)C2CC2)cc1 ZINC000917074327 1046635133 /nfs/dbraw/zinc/63/51/33/1046635133.db2.gz XYLLQQXHBKWTIN-UHFFFAOYSA-N 1 1 337.423 4.165 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2cc(-c3ccco3)on2)C2CC2)cc1 ZINC000917074327 1046635138 /nfs/dbraw/zinc/63/51/38/1046635138.db2.gz XYLLQQXHBKWTIN-UHFFFAOYSA-N 1 1 337.423 4.165 20 10 EICDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000917074898 1046638856 /nfs/dbraw/zinc/63/88/56/1046638856.db2.gz KLCQFERAMAHBSR-UHFFFAOYSA-N 1 1 327.428 4.071 20 10 EICDMO COc1ccc(N2CCC[N@H+]([C@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000917088494 1046673421 /nfs/dbraw/zinc/67/34/21/1046673421.db2.gz YGXMFNXSOMJKBV-MRXNPFEDSA-N 1 1 328.431 4.108 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1cc2ccccc2o1 ZINC000785556800 1046713375 /nfs/dbraw/zinc/71/33/75/1046713375.db2.gz FGRGWYQTAADDRK-QGZVFWFLSA-N 1 1 349.478 4.035 20 10 EICDMO Oc1ccc2ccccc2c1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000917484362 1046907310 /nfs/dbraw/zinc/90/73/10/1046907310.db2.gz CFSBURIXFUUDNM-UHFFFAOYSA-N 1 1 332.447 4.258 20 10 EICDMO CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132753 1047126189 /nfs/dbraw/zinc/12/61/89/1047126189.db2.gz ZXBABCOVZKLNQH-BZNIZROVSA-N 1 1 343.298 4.224 20 10 EICDMO COCc1ccc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)cc1 ZINC000788508888 1047208783 /nfs/dbraw/zinc/20/87/83/1047208783.db2.gz XTCNDBJSZFAMCW-GFCCVEGCSA-N 1 1 339.357 4.408 20 10 EICDMO C[C@@H]([NH2+]Cc1cc(F)c(Cl)cc1F)c1cc(F)cc(F)c1O ZINC000788621541 1047252378 /nfs/dbraw/zinc/25/23/78/1047252378.db2.gz ZGCHYTTUXNNSNP-SSDOTTSWSA-N 1 1 333.712 4.453 20 10 EICDMO CC(C)[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(N(C)C)cc1 ZINC000918021836 1047273830 /nfs/dbraw/zinc/27/38/30/1047273830.db2.gz PZBOZIAYKJPWCR-UHFFFAOYSA-N 1 1 333.457 4.133 20 10 EICDMO CC(C)[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(N(C)C)cc1 ZINC000918021836 1047273849 /nfs/dbraw/zinc/27/38/49/1047273849.db2.gz PZBOZIAYKJPWCR-UHFFFAOYSA-N 1 1 333.457 4.133 20 10 EICDMO COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788756175 1047288658 /nfs/dbraw/zinc/28/86/58/1047288658.db2.gz HRVJYPBYDZFGAP-QWRGUYRKSA-N 1 1 340.345 4.226 20 10 EICDMO COc1ccc(F)cc1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788762532 1047291159 /nfs/dbraw/zinc/29/11/59/1047291159.db2.gz HJOUBLFYXPATQB-JTQLQIEISA-N 1 1 343.320 4.410 20 10 EICDMO COCC[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)c1ccco1 ZINC000788735334 1047297129 /nfs/dbraw/zinc/29/71/29/1047297129.db2.gz PNCDUFKLJATXPA-SMDDNHRTSA-N 1 1 343.345 4.432 20 10 EICDMO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)cc1 ZINC000788778282 1047313339 /nfs/dbraw/zinc/31/33/39/1047313339.db2.gz XQRCSNOFKKKAAK-MLGOLLRUSA-N 1 1 339.357 4.104 20 10 EICDMO COc1c2ccccc2oc1C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000788980919 1047350513 /nfs/dbraw/zinc/35/05/13/1047350513.db2.gz PJCOIEWJHQWVBX-SNVBAGLBSA-N 1 1 333.334 4.276 20 10 EICDMO Oc1ccc2oc3c(c2c1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1)CCCC3 ZINC000789510617 1047435250 /nfs/dbraw/zinc/43/52/50/1047435250.db2.gz BBSFUVRJGCWPHG-LPHOPBHVSA-N 1 1 341.451 4.161 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1ccco1)CC1=Cc2ccccc2OC1 ZINC000154729439 1047453853 /nfs/dbraw/zinc/45/38/53/1047453853.db2.gz AWABRNVKZLAPGD-UHFFFAOYSA-N 1 1 347.414 4.463 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1ccco1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000789721715 1047468661 /nfs/dbraw/zinc/46/86/61/1047468661.db2.gz JUTQJSVOBVFUQK-UHFFFAOYSA-N 1 1 349.390 4.171 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1ccco1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000789721715 1047468666 /nfs/dbraw/zinc/46/86/66/1047468666.db2.gz JUTQJSVOBVFUQK-UHFFFAOYSA-N 1 1 349.390 4.171 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1CN1CCC([NH2+]C2CCC2)CC1 ZINC000897981973 1047526835 /nfs/dbraw/zinc/52/68/35/1047526835.db2.gz SYOBHLPRCOSNSI-UHFFFAOYSA-N 1 1 336.479 4.166 20 10 EICDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@H](Sc2ccc(F)cc2)C1 ZINC001142530437 1047542809 /nfs/dbraw/zinc/54/28/09/1047542809.db2.gz HIINZTKRYNCFBQ-AWEZNQCLSA-N 1 1 339.382 4.176 20 10 EICDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@H](Sc2ccc(F)cc2)C1 ZINC001142530437 1047542823 /nfs/dbraw/zinc/54/28/23/1047542823.db2.gz HIINZTKRYNCFBQ-AWEZNQCLSA-N 1 1 339.382 4.176 20 10 EICDMO COc1ccc(N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)cc1 ZINC000918736221 1047627143 /nfs/dbraw/zinc/62/71/43/1047627143.db2.gz ZBCYSBCTEMMLAD-HNNXBMFYSA-N 1 1 330.859 4.232 20 10 EICDMO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)c2ccccc2O1 ZINC000824651083 1047894458 /nfs/dbraw/zinc/89/44/58/1047894458.db2.gz VNRRBODZJUHSHR-IAQYHMDHSA-N 1 1 348.240 4.157 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000808451694 1047920446 /nfs/dbraw/zinc/92/04/46/1047920446.db2.gz WIAMYOALROLISR-CXAGYDPISA-N 1 1 335.806 4.195 20 10 EICDMO COCC(C)(C)CCC[NH2+]Cc1cc(C)cc(Br)c1O ZINC000808428914 1047941406 /nfs/dbraw/zinc/94/14/06/1047941406.db2.gz VFMQTFWZYBDDED-UHFFFAOYSA-N 1 1 344.293 4.006 20 10 EICDMO Cc1cc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)c(C)n1-c1cccc(C)c1 ZINC000825017567 1048019479 /nfs/dbraw/zinc/01/94/79/1048019479.db2.gz UZROKAISWUPQGO-FOIQADDNSA-N 1 1 334.467 4.395 20 10 EICDMO CCCc1ncc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)o1 ZINC000825086889 1048033259 /nfs/dbraw/zinc/03/32/59/1048033259.db2.gz WNDUROVYQRXCGJ-UHFFFAOYSA-N 1 1 341.377 4.002 20 10 EICDMO CN1CCC[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)c2ccccc21 ZINC000825117421 1048039848 /nfs/dbraw/zinc/03/98/48/1048039848.db2.gz CVLKEBIVTGJEPC-OAHLLOKOSA-N 1 1 334.822 4.246 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)[C@H](O)c1ccccc1 ZINC000808721930 1048071344 /nfs/dbraw/zinc/07/13/44/1048071344.db2.gz VRLUNZNCZYSFCT-RVPKQNPDSA-N 1 1 340.250 4.472 20 10 EICDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000825510307 1048107104 /nfs/dbraw/zinc/10/71/04/1048107104.db2.gz ZYIFQARBCIDNJZ-MLGOLLRUSA-N 1 1 347.256 4.133 20 10 EICDMO Cc1cc(C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)ccc1N(C)C ZINC000815072374 1048320415 /nfs/dbraw/zinc/32/04/15/1048320415.db2.gz KWKOJGMCPYPAGV-NRFANRHFSA-N 1 1 348.494 4.285 20 10 EICDMO CC[N@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C[C@@H]1CCCO1 ZINC000919947996 1048331854 /nfs/dbraw/zinc/33/18/54/1048331854.db2.gz QMNYLIDZCHXGCJ-AWEZNQCLSA-N 1 1 329.440 4.018 20 10 EICDMO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1cc(F)ccc1O ZINC000809688986 1048476802 /nfs/dbraw/zinc/47/68/02/1048476802.db2.gz SNTMWDHHIMMALV-UHFFFAOYSA-N 1 1 343.320 4.104 20 10 EICDMO Cc1ccc(C[N@@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)nc1 ZINC000809731580 1048481298 /nfs/dbraw/zinc/48/12/98/1048481298.db2.gz KLSVTQWWCGEFRJ-UHFFFAOYSA-N 1 1 335.451 4.251 20 10 EICDMO Cc1ccc(C[N@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)nc1 ZINC000809731580 1048481311 /nfs/dbraw/zinc/48/13/11/1048481311.db2.gz KLSVTQWWCGEFRJ-UHFFFAOYSA-N 1 1 335.451 4.251 20 10 EICDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]2c2cccnc2)c1O ZINC000809729030 1048482027 /nfs/dbraw/zinc/48/20/27/1048482027.db2.gz OUAIONHOFHUBDH-MRXNPFEDSA-N 1 1 347.256 4.195 20 10 EICDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000809768599 1048502313 /nfs/dbraw/zinc/50/23/13/1048502313.db2.gz PZJNLMRNIPWBDB-HXUWFJFHSA-N 1 1 338.499 4.354 20 10 EICDMO C[C@H]([NH2+]CCOc1ccccc1)c1cccc(C(F)(F)F)c1O ZINC000815554054 1048504594 /nfs/dbraw/zinc/50/45/94/1048504594.db2.gz QJJGFNGAOHYBSG-LBPRGKRZSA-N 1 1 325.330 4.141 20 10 EICDMO C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cccc(C(F)(F)F)c1O ZINC000815556520 1048508349 /nfs/dbraw/zinc/50/83/49/1048508349.db2.gz XGAYQKIBWWSZNL-WCQYABFASA-N 1 1 337.341 4.065 20 10 EICDMO C[C@]1(CCCO)CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000809756644 1048522148 /nfs/dbraw/zinc/52/21/48/1048522148.db2.gz HQUYQNVGFCKINW-OAQYLSRUSA-N 1 1 325.452 4.186 20 10 EICDMO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000809758281 1048522866 /nfs/dbraw/zinc/52/28/66/1048522866.db2.gz IPHUKFZFABFZSA-LEWJYISDSA-N 1 1 342.527 4.316 20 10 EICDMO CCc1cnc(CC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)s1 ZINC000815584414 1048523935 /nfs/dbraw/zinc/52/39/35/1048523935.db2.gz CNDIKCUTLXVTIU-JTQLQIEISA-N 1 1 344.402 4.323 20 10 EICDMO C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C1CCC(CO)CC1 ZINC000809766343 1048526041 /nfs/dbraw/zinc/52/60/41/1048526041.db2.gz XMCPWBWHUVPUAC-UHFFFAOYSA-N 1 1 325.452 4.042 20 10 EICDMO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815576453 1048538660 /nfs/dbraw/zinc/53/86/60/1048538660.db2.gz QPPLHJYUIRUAAO-VXGBXAGGSA-N 1 1 339.357 4.398 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccc(C(F)(F)F)cc1O ZINC000810227897 1048695657 /nfs/dbraw/zinc/69/56/57/1048695657.db2.gz MHJNMXUDSLDHMO-UONOGXRCSA-N 1 1 339.361 4.252 20 10 EICDMO CC[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccc(C(F)(F)F)cc1O ZINC000810227896 1048696251 /nfs/dbraw/zinc/69/62/51/1048696251.db2.gz MHJNMXUDSLDHMO-KGLIPLIRSA-N 1 1 339.361 4.252 20 10 EICDMO CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)cc1O ZINC000810209953 1048706254 /nfs/dbraw/zinc/70/62/54/1048706254.db2.gz XPDNPWGNEHAHCL-DZKIICNBSA-N 1 1 342.405 4.079 20 10 EICDMO CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209953 1048706269 /nfs/dbraw/zinc/70/62/69/1048706269.db2.gz XPDNPWGNEHAHCL-DZKIICNBSA-N 1 1 342.405 4.079 20 10 EICDMO CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209953 1048706282 /nfs/dbraw/zinc/70/62/82/1048706282.db2.gz XPDNPWGNEHAHCL-DZKIICNBSA-N 1 1 342.405 4.079 20 10 EICDMO C[C@H](Nc1cc(C2CC2)cc[nH+]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000810258907 1048709335 /nfs/dbraw/zinc/70/93/35/1048709335.db2.gz YTQOWXCAORRIDZ-AWEZNQCLSA-N 1 1 341.430 4.108 20 10 EICDMO CC[C@]1(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)OCCc2ccccc21 ZINC000810242371 1048723746 /nfs/dbraw/zinc/72/37/46/1048723746.db2.gz AJKPCIUJVMBOSK-RNODOKPDSA-N 1 1 347.405 4.199 20 10 EICDMO CC(C)[N@@H+](C)C[C@H](C)N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000810244949 1048727951 /nfs/dbraw/zinc/72/79/51/1048727951.db2.gz LDDJBIHSFHTFGB-DLBZAZTESA-N 1 1 335.511 4.195 20 10 EICDMO CC(C)[N@H+](C)C[C@H](C)N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000810244949 1048727967 /nfs/dbraw/zinc/72/79/67/1048727967.db2.gz LDDJBIHSFHTFGB-DLBZAZTESA-N 1 1 335.511 4.195 20 10 EICDMO CC[C@@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1ccc(F)cc1O ZINC000810253141 1048730189 /nfs/dbraw/zinc/73/01/89/1048730189.db2.gz MQOXKNKIKRCGLJ-QAPCUYQASA-N 1 1 335.444 4.122 20 10 EICDMO Oc1c(C[N@H+]2CCO[C@@H](c3cccs3)C2)ccc2ccccc21 ZINC000816498258 1048810007 /nfs/dbraw/zinc/81/00/07/1048810007.db2.gz NRXSYEWXLCFVSQ-QGZVFWFLSA-N 1 1 325.433 4.180 20 10 EICDMO Cc1nc(C(C)(C)[NH2+]Cc2cc(Cl)c(F)cc2O)sc1C ZINC000816551587 1048824211 /nfs/dbraw/zinc/82/42/11/1048824211.db2.gz HLVQEUKANVWTND-UHFFFAOYSA-N 1 1 328.840 4.283 20 10 EICDMO C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816535406 1048825474 /nfs/dbraw/zinc/82/54/74/1048825474.db2.gz NTIVULSLXMEHGO-KRWDZBQOSA-N 1 1 326.484 4.147 20 10 EICDMO C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816535406 1048825476 /nfs/dbraw/zinc/82/54/76/1048825476.db2.gz NTIVULSLXMEHGO-KRWDZBQOSA-N 1 1 326.484 4.147 20 10 EICDMO CC(C)c1nc(CC[NH2+]Cc2cc(Cl)c(F)cc2O)cs1 ZINC000816545167 1048826601 /nfs/dbraw/zinc/82/66/01/1048826601.db2.gz GRXLFEACJMNJNQ-UHFFFAOYSA-N 1 1 328.840 4.097 20 10 EICDMO [O-]c1c(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)ccc2ccccc21 ZINC000816543692 1048826698 /nfs/dbraw/zinc/82/66/98/1048826698.db2.gz KQVPPJRDHIBSGT-UHFFFAOYSA-N 1 1 338.495 4.290 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000816538798 1048827396 /nfs/dbraw/zinc/82/73/96/1048827396.db2.gz HQNWLUKOHVILKZ-AUUYWEPGSA-N 1 1 349.833 4.442 20 10 EICDMO CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816557793 1048834326 /nfs/dbraw/zinc/83/43/26/1048834326.db2.gz BKWQSPHPWVUWPX-KRWDZBQOSA-N 1 1 326.484 4.003 20 10 EICDMO CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816557793 1048834329 /nfs/dbraw/zinc/83/43/29/1048834329.db2.gz BKWQSPHPWVUWPX-KRWDZBQOSA-N 1 1 326.484 4.003 20 10 EICDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816570343 1048836437 /nfs/dbraw/zinc/83/64/37/1048836437.db2.gz QVIFFKOGQAYMJV-MRXNPFEDSA-N 1 1 341.451 4.099 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1CCCOc2c(F)cccc21 ZINC000816564591 1048837625 /nfs/dbraw/zinc/83/76/25/1048837625.db2.gz KSFXPSFVLAKSQF-HNNXBMFYSA-N 1 1 339.769 4.327 20 10 EICDMO COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816601075 1048842628 /nfs/dbraw/zinc/84/26/28/1048842628.db2.gz QGANRJDJHWIPEF-HNNXBMFYSA-N 1 1 339.769 4.110 20 10 EICDMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H]1OCCc2sccc21 ZINC000816616853 1048845106 /nfs/dbraw/zinc/84/51/06/1048845106.db2.gz HUBFRNSUDZDEMP-JDNHERCYSA-N 1 1 341.835 4.038 20 10 EICDMO COc1ccc(N2CCC(Nc3ccc(C4CCC4)c[nH+]3)CC2)cc1 ZINC000816661672 1048851925 /nfs/dbraw/zinc/85/19/25/1048851925.db2.gz USXDUGOUSCBWJN-UHFFFAOYSA-N 1 1 337.467 4.439 20 10 EICDMO CC[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)s1 ZINC000817942777 1049060920 /nfs/dbraw/zinc/06/09/20/1049060920.db2.gz QYNUEXOVBKSRNM-CABCVRRESA-N 1 1 337.920 4.208 20 10 EICDMO C[C@@H]([NH2+][C@@H](CN)c1ccc2ccccc2c1)c1ccc(N(C)C)cc1 ZINC000817970667 1049071821 /nfs/dbraw/zinc/07/18/21/1049071821.db2.gz BRCXHIJMGVLIHG-ZHRRBRCNSA-N 1 1 333.479 4.256 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817984942 1049078087 /nfs/dbraw/zinc/07/80/87/1049078087.db2.gz CREFYLTWQPJZQD-HIFRSBDPSA-N 1 1 342.405 4.126 20 10 EICDMO Cc1cc(Br)cc(CNc2cc(C3CC3)cc[nH+]2)c1O ZINC000811519000 1049107291 /nfs/dbraw/zinc/10/72/91/1049107291.db2.gz RNDBTDXJALKOGL-UHFFFAOYSA-N 1 1 333.229 4.348 20 10 EICDMO CCN(C)c1ccc([C@H](C)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000773076559 1049567389 /nfs/dbraw/zinc/56/73/89/1049567389.db2.gz ODOMQSSITKGDTM-RBUKOAKNSA-N 1 1 331.548 4.161 20 10 EICDMO CCN(C)c1ccc([C@H](C)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000773076559 1049567405 /nfs/dbraw/zinc/56/74/05/1049567405.db2.gz ODOMQSSITKGDTM-RBUKOAKNSA-N 1 1 331.548 4.161 20 10 EICDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000773258066 1049673806 /nfs/dbraw/zinc/67/38/06/1049673806.db2.gz GQMIZDQYLTYMLL-CVEARBPZSA-N 1 1 347.499 4.034 20 10 EICDMO COc1cc(O)c(C[N@@H+](C)[C@@H](C)c2cc3ccccc3o2)cc1OC ZINC000179665352 1049715773 /nfs/dbraw/zinc/71/57/73/1049715773.db2.gz NDXWAJAPRZFGRB-ZDUSSCGKSA-N 1 1 341.407 4.349 20 10 EICDMO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H]1CC1CCCC1 ZINC001171630584 1049762672 /nfs/dbraw/zinc/76/26/72/1049762672.db2.gz AVMBSCODFPYJOZ-NRFANRHFSA-N 1 1 328.500 4.068 20 10 EICDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCCC(F)(F)C2)c1 ZINC000813872306 1049829076 /nfs/dbraw/zinc/82/90/76/1049829076.db2.gz BLSJKEIXLOCCSO-STQMWFEESA-N 1 1 341.398 4.045 20 10 EICDMO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C(C)(C)C1)c1ccccc1O ZINC001171975663 1049836795 /nfs/dbraw/zinc/83/67/95/1049836795.db2.gz NPJNSUDQKJFVNZ-IEBWSBKVSA-N 1 1 338.495 4.486 20 10 EICDMO COC[C@H]1CCC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000823447182 1049847476 /nfs/dbraw/zinc/84/74/76/1049847476.db2.gz DCXPIEOFBRCAIU-SFHVURJKSA-N 1 1 344.524 4.243 20 10 EICDMO COc1c(O)c(C[NH2+][C@@H](CC(C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000774940764 1050167940 /nfs/dbraw/zinc/16/79/40/1050167940.db2.gz BXYXNICOHLUJCQ-INIZCTEOSA-N 1 1 344.411 4.186 20 10 EICDMO CC[N@@H+](Cc1ccccc1O)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921382 1050233779 /nfs/dbraw/zinc/23/37/79/1050233779.db2.gz PNMCPEXFMKWRTE-GOSISDBHSA-N 1 1 340.423 4.070 20 10 EICDMO Cn1c[nH+]c2cc(NCc3cccc(Oc4ccccn4)c3)ccc21 ZINC001178037671 1050372990 /nfs/dbraw/zinc/37/29/90/1050372990.db2.gz WERCDMDQNXOMKH-UHFFFAOYSA-N 1 1 330.391 4.373 20 10 EICDMO Oc1c(Br)cccc1C[NH2+]Cc1cc(Cl)ccc1F ZINC000775147451 1050631585 /nfs/dbraw/zinc/63/15/85/1050631585.db2.gz SFXJHEHXZNWXRV-UHFFFAOYSA-N 1 1 344.611 4.237 20 10 EICDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ncc(-c3ccccc3F)o2)c1 ZINC000182370387 1050628588 /nfs/dbraw/zinc/62/85/88/1050628588.db2.gz AFXWURQXZJVAMK-GFCCVEGCSA-N 1 1 342.370 4.046 20 10 EICDMO CC[N@H+](CCCNC/C=C/c1ccc(N(C)C)cc1)C1CCCCC1 ZINC001179090691 1050629783 /nfs/dbraw/zinc/62/97/83/1050629783.db2.gz IBFAXHVDJXCKBO-CSKARUKUSA-N 1 1 343.559 4.400 20 10 EICDMO CC[N@@H+](CCCNC/C=C/c1ccc(N(C)C)cc1)C1CCCCC1 ZINC001179090691 1050629786 /nfs/dbraw/zinc/62/97/86/1050629786.db2.gz IBFAXHVDJXCKBO-CSKARUKUSA-N 1 1 343.559 4.400 20 10 EICDMO Cc1ccc(C[C@@H]2CCC[N@H+](Cc3cc(F)c(F)cc3O)C2)cc1 ZINC001179858518 1050806437 /nfs/dbraw/zinc/80/64/37/1050806437.db2.gz GCJLMCMWKMHEDX-INIZCTEOSA-N 1 1 331.406 4.434 20 10 EICDMO Cc1ccc(C[C@@H]2CCC[N@@H+](Cc3cc(F)c(F)cc3O)C2)cc1 ZINC001179858518 1050806440 /nfs/dbraw/zinc/80/64/40/1050806440.db2.gz GCJLMCMWKMHEDX-INIZCTEOSA-N 1 1 331.406 4.434 20 10 EICDMO COCC[N@H+](Cc1ccc(N(C)Cc2cccs2)cc1)CC(C)C ZINC001179941970 1050826256 /nfs/dbraw/zinc/82/62/56/1050826256.db2.gz JHTZPIDLQOMYLB-UHFFFAOYSA-N 1 1 346.540 4.489 20 10 EICDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)c(F)cc2[O-])C1(CC)CC ZINC001179950746 1050828033 /nfs/dbraw/zinc/82/80/33/1050828033.db2.gz HFFWAKJYCLSIGH-IRXDYDNUSA-N 1 1 327.415 4.086 20 10 EICDMO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(F)c(F)cc2O)C1(CC)CC ZINC001179950746 1050828037 /nfs/dbraw/zinc/82/80/37/1050828037.db2.gz HFFWAKJYCLSIGH-IRXDYDNUSA-N 1 1 327.415 4.086 20 10 EICDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)c(F)cc2O)C1(CC)CC ZINC001179950746 1050828038 /nfs/dbraw/zinc/82/80/38/1050828038.db2.gz HFFWAKJYCLSIGH-IRXDYDNUSA-N 1 1 327.415 4.086 20 10 EICDMO COc1ccc(C[N@H+]2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)c(O)c1OC ZINC001179962790 1050848457 /nfs/dbraw/zinc/84/84/57/1050848457.db2.gz SJSRDQWUIDMKPD-CZUORRHYSA-N 1 1 345.439 4.284 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1Cl ZINC001180058272 1050871493 /nfs/dbraw/zinc/87/14/93/1050871493.db2.gz PHCADXPVMNJHPR-QGZVFWFLSA-N 1 1 330.859 4.431 20 10 EICDMO Cc1ccc([C@H](C)C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC001180429503 1050987169 /nfs/dbraw/zinc/98/71/69/1050987169.db2.gz BOGQKDNCHNBDFC-NQIIRXRSSA-N 1 1 339.479 4.485 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)cc1Cl ZINC001180665309 1051058856 /nfs/dbraw/zinc/05/88/56/1051058856.db2.gz MRSHKULQFSLNBH-SFHVURJKSA-N 1 1 345.870 4.188 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)cc1Cl ZINC001180665309 1051058867 /nfs/dbraw/zinc/05/88/67/1051058867.db2.gz MRSHKULQFSLNBH-SFHVURJKSA-N 1 1 345.870 4.188 20 10 EICDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)cc1F ZINC001175053306 1051342637 /nfs/dbraw/zinc/34/26/37/1051342637.db2.gz MIDHTVSKMBSZFZ-SFHVURJKSA-N 1 1 342.458 4.198 20 10 EICDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)C[C@@H]1C ZINC001191418185 1051453120 /nfs/dbraw/zinc/45/31/20/1051453120.db2.gz SDYYPGLDVCZTJY-PZJWPPBQSA-N 1 1 343.559 4.290 20 10 EICDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)C[C@@H]1C ZINC001191418185 1051453131 /nfs/dbraw/zinc/45/31/31/1051453131.db2.gz SDYYPGLDVCZTJY-PZJWPPBQSA-N 1 1 343.559 4.290 20 10 EICDMO C[C@@H]([NH2+]CCc1ccc(O)cc1)c1cc(Cl)c(Cl)cc1O ZINC000774145684 1051478966 /nfs/dbraw/zinc/47/89/66/1051478966.db2.gz AFFHMNYBJLEAJA-SNVBAGLBSA-N 1 1 326.223 4.298 20 10 EICDMO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc(Cl)c(Cl)cc1O ZINC000774165751 1051491417 /nfs/dbraw/zinc/49/14/17/1051491417.db2.gz YEFYZAZIZZBXCF-JTQLQIEISA-N 1 1 338.234 4.485 20 10 EICDMO C[C@H]([NH2+]CC1(CCO)CCCC1)c1cc(Cl)c(Cl)cc1O ZINC000774204924 1051499444 /nfs/dbraw/zinc/49/94/44/1051499444.db2.gz VDYZCUOSLDGESK-NSHDSACASA-N 1 1 332.271 4.292 20 10 EICDMO CC(C)C[C@H](CCO)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774204311 1051499538 /nfs/dbraw/zinc/49/95/38/1051499538.db2.gz SSLHDRHPNLNNSN-RYUDHWBXSA-N 1 1 334.287 4.394 20 10 EICDMO COc1cc(C[N@H+]2CCC[C@@]3(CCSC3)C2)c(O)c(C(C)(C)C)c1 ZINC001182325560 1051500078 /nfs/dbraw/zinc/50/00/78/1051500078.db2.gz APDGFDDFSTXRNB-HXUWFJFHSA-N 1 1 349.540 4.417 20 10 EICDMO C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1cc(Cl)c(Cl)cc1O ZINC000774270501 1051538939 /nfs/dbraw/zinc/53/89/39/1051538939.db2.gz FFKIWHCSSFWRFZ-QWRGUYRKSA-N 1 1 346.254 4.035 20 10 EICDMO Oc1cc(F)c(F)cc1C[NH2+]Cc1cc(Cl)cc(Cl)c1F ZINC001183355130 1051827022 /nfs/dbraw/zinc/82/70/22/1051827022.db2.gz LHPIPSADCMYLJK-UHFFFAOYSA-N 1 1 336.140 4.406 20 10 EICDMO COc1ccc2nc(C[N@H+](C)Cc3ccc(N(C)C)cc3)sc2c1 ZINC000775565632 1051860294 /nfs/dbraw/zinc/86/02/94/1051860294.db2.gz OAJKIFPDUYYXSW-UHFFFAOYSA-N 1 1 341.480 4.003 20 10 EICDMO COc1ccc2nc(C[N@@H+](C)Cc3ccc(N(C)C)cc3)sc2c1 ZINC000775565632 1051860298 /nfs/dbraw/zinc/86/02/98/1051860298.db2.gz OAJKIFPDUYYXSW-UHFFFAOYSA-N 1 1 341.480 4.003 20 10 EICDMO CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)CCO2 ZINC000775574226 1051876201 /nfs/dbraw/zinc/87/62/01/1051876201.db2.gz OJSOHHMRDMNUDV-PIGZYNQJSA-N 1 1 349.377 4.244 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1C ZINC000071966769 1051881463 /nfs/dbraw/zinc/88/14/63/1051881463.db2.gz BRDOLMMJURHECG-LJQANCHMSA-N 1 1 331.843 4.236 20 10 EICDMO C[C@H](CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000774821142 1052170862 /nfs/dbraw/zinc/17/08/62/1052170862.db2.gz NMXHSXJMNPQFPU-LJQANCHMSA-N 1 1 338.495 4.149 20 10 EICDMO COc1c(O)c(C[N@H+]2CCCCC[C@@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000774883495 1052243929 /nfs/dbraw/zinc/24/39/29/1052243929.db2.gz FZMUGJDVYKLOKE-CQSZACIVSA-N 1 1 346.383 4.019 20 10 EICDMO C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccc(F)cc1O ZINC000184856769 1052265748 /nfs/dbraw/zinc/26/57/48/1052265748.db2.gz QYFNNNIWGPURNU-YOEHRIQHSA-N 1 1 332.419 4.002 20 10 EICDMO COc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2O)c(C(F)(F)F)c1 ZINC000185309803 1052576109 /nfs/dbraw/zinc/57/61/09/1052576109.db2.gz ISWUHPGFXZQBTF-SNVBAGLBSA-N 1 1 343.320 4.410 20 10 EICDMO Cc1ccc(C)c([C@H](C)[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000764144659 1053033597 /nfs/dbraw/zinc/03/35/97/1053033597.db2.gz YVIYNFXTIDYLNN-IBGZPJMESA-N 1 1 338.495 4.333 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@](C)(O)c1ccccc1 ZINC000764140457 1053034394 /nfs/dbraw/zinc/03/43/94/1053034394.db2.gz GYNZUQFHATUKGN-JOCHJYFZSA-N 1 1 338.495 4.016 20 10 EICDMO Cc1cc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)ccc1N(C)C ZINC001194764506 1053096622 /nfs/dbraw/zinc/09/66/22/1053096622.db2.gz LUHDHCXHYSTPRR-JOCHJYFZSA-N 1 1 336.479 4.031 20 10 EICDMO C[C@@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)c1ccc(F)cc1O ZINC000850505164 1053263820 /nfs/dbraw/zinc/26/38/20/1053263820.db2.gz NYFFSLAQKSLLKA-BMIGLBTASA-N 1 1 335.341 4.072 20 10 EICDMO C[C@@H](COc1c(F)cccc1F)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000850522442 1053282450 /nfs/dbraw/zinc/28/24/50/1053282450.db2.gz DTDNJNKZBRUJER-UWVGGRQHSA-N 1 1 343.320 4.067 20 10 EICDMO C[C@@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000764742642 1053286025 /nfs/dbraw/zinc/28/60/25/1053286025.db2.gz AIVBUHYRRVVSPR-GCJKJVERSA-N 1 1 337.511 4.240 20 10 EICDMO C[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1cccc(C(F)(F)F)c1O ZINC000850542203 1053304043 /nfs/dbraw/zinc/30/40/43/1053304043.db2.gz JDJANUHXAWGTPL-QFYYESIMSA-N 1 1 337.341 4.455 20 10 EICDMO CC(C)C[NH+]1CCC(N[C@@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000764828178 1053319511 /nfs/dbraw/zinc/31/95/11/1053319511.db2.gz QBMLPMOTZWHHQB-IBGZPJMESA-N 1 1 343.559 4.448 20 10 EICDMO CC(C)CN1CCC([NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000764828178 1053319526 /nfs/dbraw/zinc/31/95/26/1053319526.db2.gz QBMLPMOTZWHHQB-IBGZPJMESA-N 1 1 343.559 4.448 20 10 EICDMO COc1ccc2cc(C[N@@H+](C)Cc3cc(OC)ccc3O)ccc2c1 ZINC000775644793 1053333872 /nfs/dbraw/zinc/33/38/72/1053333872.db2.gz VJKBRHMHUPWOJX-UHFFFAOYSA-N 1 1 337.419 4.195 20 10 EICDMO CCN(C)c1ccc(C[N@@H+](C)Cc2ccc(OC)c(Cl)c2)cc1 ZINC001195224895 1053339120 /nfs/dbraw/zinc/33/91/20/1053339120.db2.gz QJVZZKRASWYQIZ-UHFFFAOYSA-N 1 1 332.875 4.437 20 10 EICDMO COc1ccc(O)c(C[N@@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)c1 ZINC000775650368 1053367157 /nfs/dbraw/zinc/36/71/57/1053367157.db2.gz YYIGCAPLNDPTMU-FZKQIMNGSA-N 1 1 327.424 4.282 20 10 EICDMO COc1cc(C[N@@H+](C)Cc2cc(Cl)cc(C)c2O)cc(OC)c1 ZINC000775653480 1053399252 /nfs/dbraw/zinc/39/92/52/1053399252.db2.gz IGQSHBRDSGAMIX-UHFFFAOYSA-N 1 1 335.831 4.003 20 10 EICDMO COc1ccc(O)c(C[N@@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000775667498 1053457838 /nfs/dbraw/zinc/45/78/38/1053457838.db2.gz JTCWKSFRBAHWHI-UTKZUKDTSA-N 1 1 341.451 4.001 20 10 EICDMO CCOc1cccc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c1O ZINC000120532525 1053492810 /nfs/dbraw/zinc/49/28/10/1053492810.db2.gz BWXGIKVELSAQNT-INIZCTEOSA-N 1 1 347.480 4.034 20 10 EICDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCc3ccc(F)cc32)c1 ZINC000794837815 1053494668 /nfs/dbraw/zinc/49/46/68/1053494668.db2.gz ZTACVEHEGYQQMP-KZULUSFZSA-N 1 1 343.398 4.046 20 10 EICDMO CC[C@@H]1C[C@H](C[N@@H+](Cc2ccco2)Cc2ccccc2O)CCO1 ZINC000780754118 1053662454 /nfs/dbraw/zinc/66/24/54/1053662454.db2.gz MTSHSUAXACWXNJ-SJLPKXTDSA-N 1 1 329.440 4.193 20 10 EICDMO C[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)C[C@@H](CC(F)(F)F)O1 ZINC000853614418 1053688745 /nfs/dbraw/zinc/68/87/45/1053688745.db2.gz LLAJGAAIPRCODQ-GXTWGEPZSA-N 1 1 339.357 4.087 20 10 EICDMO Cc1cc(C[N@H+]2CCc3c(O)cccc3C2)ccc1N1CCCCC1 ZINC001196706502 1053728970 /nfs/dbraw/zinc/72/89/70/1053728970.db2.gz JAACXGWYMHOJIS-UHFFFAOYSA-N 1 1 336.479 4.249 20 10 EICDMO Cc1cc(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)ccc1N1CCCCC1 ZINC001197177629 1053847700 /nfs/dbraw/zinc/84/77/00/1053847700.db2.gz SMWSTECTAJXVMM-BVSLBCMMSA-N 1 1 342.527 4.111 20 10 EICDMO Cc1csc(C[C@H]2CCC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC001197865136 1054017785 /nfs/dbraw/zinc/01/77/85/1054017785.db2.gz VXZSEPZXOGLTAV-QGZVFWFLSA-N 1 1 343.540 4.281 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@@H+](Cc2cccc(F)c2)C2CCC2)c1O ZINC001197960336 1054037546 /nfs/dbraw/zinc/03/75/46/1054037546.db2.gz VBQVBBBYFQLYPS-UHFFFAOYSA-N 1 1 345.389 4.428 20 10 EICDMO C[C@@H]([NH2+]Cc1ncc(Cl)s1)c1cc(Br)ccc1O ZINC000872115103 1054393334 /nfs/dbraw/zinc/39/33/34/1054393334.db2.gz HGLBAYYXJFIJKX-SSDOTTSWSA-N 1 1 347.665 4.115 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1)c1ccc(F)cc1O ZINC000872129959 1054404744 /nfs/dbraw/zinc/40/47/44/1054404744.db2.gz CBWQCKDPPBCPKP-VHSXEESVSA-N 1 1 328.309 4.357 20 10 EICDMO CC[C@@](C)([NH2+]Cc1c(O)cccc1Br)c1nccs1 ZINC000858142782 1054422506 /nfs/dbraw/zinc/42/25/06/1054422506.db2.gz MHRZNDJPMKAVFA-CQSZACIVSA-N 1 1 341.274 4.026 20 10 EICDMO C[C@@H](c1ccccc1)[N@H+](CC[C@@H]1CCCN1C)Cc1ccccc1O ZINC000776002538 1054437306 /nfs/dbraw/zinc/43/73/06/1054437306.db2.gz FDLVKUNDHUMBEE-RXVVDRJESA-N 1 1 338.495 4.440 20 10 EICDMO C[C@@H](c1ccccc1)[N@@H+](CC[C@@H]1CCCN1C)Cc1ccccc1O ZINC000776002538 1054437310 /nfs/dbraw/zinc/43/73/10/1054437310.db2.gz FDLVKUNDHUMBEE-RXVVDRJESA-N 1 1 338.495 4.440 20 10 EICDMO C[C@@H](c1ccccc1)N(CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1O ZINC000776002538 1054437314 /nfs/dbraw/zinc/43/73/14/1054437314.db2.gz FDLVKUNDHUMBEE-RXVVDRJESA-N 1 1 338.495 4.440 20 10 EICDMO C[C@@H](c1ccccc1)N(CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1O ZINC000776002538 1054437317 /nfs/dbraw/zinc/43/73/17/1054437317.db2.gz FDLVKUNDHUMBEE-RXVVDRJESA-N 1 1 338.495 4.440 20 10 EICDMO Cc1cnc(C[N@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)nc1 ZINC000776004491 1054439634 /nfs/dbraw/zinc/43/96/34/1054439634.db2.gz POYLNLGMXNLMSC-QGZVFWFLSA-N 1 1 333.435 4.254 20 10 EICDMO Cc1cnc(C[N@@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)nc1 ZINC000776004491 1054439643 /nfs/dbraw/zinc/43/96/43/1054439643.db2.gz POYLNLGMXNLMSC-QGZVFWFLSA-N 1 1 333.435 4.254 20 10 EICDMO Cc1cc(C[NH2+][C@@H]2CCCn3ccnc32)c(C)n1-c1cccc(C)c1 ZINC000858543635 1054511355 /nfs/dbraw/zinc/51/13/55/1054511355.db2.gz VACLJSNDSHLPEF-HXUWFJFHSA-N 1 1 334.467 4.224 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1C ZINC000117326411 1054794197 /nfs/dbraw/zinc/79/41/97/1054794197.db2.gz OHEGRAGKZYLLOB-UHFFFAOYSA-N 1 1 341.295 4.326 20 10 EICDMO Cc1nccn1CCCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000125442106 1054796701 /nfs/dbraw/zinc/79/67/01/1054796701.db2.gz NBRSDCSCWRSEIY-UHFFFAOYSA-N 1 1 340.515 4.094 20 10 EICDMO COc1cccc(C(C)(C)C[NH2+]Cc2c(O)ccc(Cl)c2F)c1 ZINC001201618222 1054865408 /nfs/dbraw/zinc/86/54/08/1054865408.db2.gz NLRRNUAMRFNFKJ-UHFFFAOYSA-N 1 1 337.822 4.261 20 10 EICDMO C[N@H+](Cc1cnc(C2CC2)o1)Cc1ccc(N2CCCCC2)cc1 ZINC000862210373 1055028509 /nfs/dbraw/zinc/02/85/09/1055028509.db2.gz JXMOPULYIJNONG-UHFFFAOYSA-N 1 1 325.456 4.174 20 10 EICDMO C[N@@H+](Cc1cnc(C2CC2)o1)Cc1ccc(N2CCCCC2)cc1 ZINC000862210373 1055028524 /nfs/dbraw/zinc/02/85/24/1055028524.db2.gz JXMOPULYIJNONG-UHFFFAOYSA-N 1 1 325.456 4.174 20 10 EICDMO COc1ccc(-n2c(C)cc(C[N@H+](C)Cc3cnc(C)o3)c2C)cc1 ZINC000862250882 1055034580 /nfs/dbraw/zinc/03/45/80/1055034580.db2.gz WDSJSMOXUPDPPI-UHFFFAOYSA-N 1 1 339.439 4.031 20 10 EICDMO COc1ccc(-n2c(C)cc(C[N@@H+](C)Cc3cnc(C)o3)c2C)cc1 ZINC000862250882 1055034593 /nfs/dbraw/zinc/03/45/93/1055034593.db2.gz WDSJSMOXUPDPPI-UHFFFAOYSA-N 1 1 339.439 4.031 20 10 EICDMO CC[C@@H](c1ccncc1)[N@H+](C)Cc1c(O)cccc1Br ZINC000862368212 1055057427 /nfs/dbraw/zinc/05/74/27/1055057427.db2.gz FDUUPJXMGLSGHB-HNNXBMFYSA-N 1 1 335.245 4.133 20 10 EICDMO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1c(O)cccc1Br ZINC000862368212 1055057441 /nfs/dbraw/zinc/05/74/41/1055057441.db2.gz FDUUPJXMGLSGHB-HNNXBMFYSA-N 1 1 335.245 4.133 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000877756594 1055115487 /nfs/dbraw/zinc/11/54/87/1055115487.db2.gz WQNPUGTUEIURFN-LLVKDONJSA-N 1 1 336.229 4.020 20 10 EICDMO CC[N@@H+](Cc1ccccc1O)[C@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168664432 1056510173 /nfs/dbraw/zinc/51/01/73/1056510173.db2.gz GTBUIIRVUKFWMR-RXVVDRJESA-N 1 1 341.451 4.143 20 10 EICDMO COc1ccc(O)c([C@H](C)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)c1 ZINC000186492219 1056560159 /nfs/dbraw/zinc/56/01/59/1056560159.db2.gz MMSOMJLBGVAGGA-LBPRGKRZSA-N 1 1 337.423 4.338 20 10 EICDMO Cc1ccc2nc(C[N@@H+](C)Cc3ccc(N4CCCCC4)cc3)cn2c1 ZINC000741712883 1058342251 /nfs/dbraw/zinc/34/22/51/1058342251.db2.gz ZGFDRRHTDROLPK-UHFFFAOYSA-N 1 1 348.494 4.265 20 10 EICDMO Cc1ccc2nc(C[N@H+](C)Cc3ccc(N4CCCCC4)cc3)cn2c1 ZINC000741712883 1058342272 /nfs/dbraw/zinc/34/22/72/1058342272.db2.gz ZGFDRRHTDROLPK-UHFFFAOYSA-N 1 1 348.494 4.265 20 10 EICDMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)[C@@H](C)CO1 ZINC000742167804 1058530611 /nfs/dbraw/zinc/53/06/11/1058530611.db2.gz JBGAQWJYQCMHNI-AOMKIAJQSA-N 1 1 348.446 4.211 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)N(CC)c1ccccc1 ZINC000743870393 1059189212 /nfs/dbraw/zinc/18/92/12/1059189212.db2.gz QCTJUMHXEGYGIU-QGZVFWFLSA-N 1 1 340.467 4.046 20 10 EICDMO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H](C)N(C)Cc2ccccc2)c1 ZINC000379616837 1059607933 /nfs/dbraw/zinc/60/79/33/1059607933.db2.gz CZNJSIYIEVTEOP-QZTJIDSGSA-N 1 1 326.484 4.262 20 10 EICDMO CC[C@H]([NH2+]CC[C@@H](C)N(C)Cc1ccccc1)c1ccccc1O ZINC000379624596 1059618953 /nfs/dbraw/zinc/61/89/53/1059618953.db2.gz DLQDSYZXABMXJC-XLIONFOSSA-N 1 1 326.484 4.344 20 10 EICDMO C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CC[N@@H+]1Cc1ccccc1 ZINC000379652388 1059764981 /nfs/dbraw/zinc/76/49/81/1059764981.db2.gz WRSXMKYWXXSVTR-MAUKXSAKSA-N 1 1 344.886 4.188 20 10 EICDMO C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CC[N@H+]1Cc1ccccc1 ZINC000379652388 1059765008 /nfs/dbraw/zinc/76/50/08/1059765008.db2.gz WRSXMKYWXXSVTR-MAUKXSAKSA-N 1 1 344.886 4.188 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@H+](C)CCc2ccc(Cl)cc2)c1O ZINC001168775074 1059774464 /nfs/dbraw/zinc/77/44/64/1059774464.db2.gz MHXFBIXVPXWAHT-UHFFFAOYSA-N 1 1 335.806 4.062 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@@H+](C)CCc2ccc(Cl)cc2)c1O ZINC001168775074 1059774484 /nfs/dbraw/zinc/77/44/84/1059774484.db2.gz MHXFBIXVPXWAHT-UHFFFAOYSA-N 1 1 335.806 4.062 20 10 EICDMO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)C1 ZINC000798002943 1060382114 /nfs/dbraw/zinc/38/21/14/1060382114.db2.gz XGVPWVFRIMPMLX-AXFHLTTASA-N 1 1 346.254 4.081 20 10 EICDMO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2csc([C@@H](C)OC)n2)cc1 ZINC000766528523 1060521251 /nfs/dbraw/zinc/52/12/51/1060521251.db2.gz MFFCESLRFOXYHD-ZIAGYGMSSA-N 1 1 333.501 4.157 20 10 EICDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000179917127 1032574690 /nfs/dbraw/zinc/57/46/90/1032574690.db2.gz HSTLIODMDSEFLR-ZDUSSCGKSA-N 1 1 326.371 4.052 20 10 EICDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc(OC)c(C)cc1O)CCC2 ZINC000160425627 1021765915 /nfs/dbraw/zinc/76/59/15/1021765915.db2.gz RUZKBXCTFYOJCX-HNNXBMFYSA-N 1 1 346.496 4.238 20 10 EICDMO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)c(O)c1 ZINC000311001918 1022811254 /nfs/dbraw/zinc/81/12/54/1022811254.db2.gz JTMUDQQFUFLIHG-XMSQKQJNSA-N 1 1 338.495 4.263 20 10 EICDMO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccn(-c3ccccc3)n2)cc1 ZINC000163170286 1022814492 /nfs/dbraw/zinc/81/44/92/1022814492.db2.gz GFHKSSKHXOWGBX-QGZVFWFLSA-N 1 1 334.467 4.179 20 10 EICDMO COC1CCC(C[N@@H+](Cc2ccco2)Cc2ccccc2O)CC1 ZINC000891395350 1023206788 /nfs/dbraw/zinc/20/67/88/1023206788.db2.gz YXOOABGMEWIMBP-UHFFFAOYSA-N 1 1 329.440 4.193 20 10 EICDMO C[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1cc(Cl)c(Cl)cc1O ZINC000377118392 1023376453 /nfs/dbraw/zinc/37/64/53/1023376453.db2.gz DCDBXJKGSIKJNU-LKFCYVNXSA-N 1 1 340.254 4.161 20 10 EICDMO C[N@@H+](Cc1c(O)cccc1Br)[C@H]1CCc2ccccc21 ZINC000707144071 1023491531 /nfs/dbraw/zinc/49/15/31/1023491531.db2.gz YLAHNTXEMWYJSL-INIZCTEOSA-N 1 1 332.241 4.274 20 10 EICDMO CCc1noc(C)c1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000162626934 1023622097 /nfs/dbraw/zinc/62/20/97/1023622097.db2.gz BOYRIBRGGGTEKZ-UHFFFAOYSA-N 1 1 327.472 4.168 20 10 EICDMO C[N@H+](Cc1nccs1)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000074724428 1026147979 /nfs/dbraw/zinc/14/79/79/1026147979.db2.gz VUOAMQNEKCBBBG-UHFFFAOYSA-N 1 1 328.437 4.106 20 10 EICDMO C[N@@H+](Cc1nccs1)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000074724428 1026147990 /nfs/dbraw/zinc/14/79/90/1026147990.db2.gz VUOAMQNEKCBBBG-UHFFFAOYSA-N 1 1 328.437 4.106 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)c1cc(F)ccc1O ZINC000279432398 1026425665 /nfs/dbraw/zinc/42/56/65/1026425665.db2.gz GSSFLEUBEGTEKU-SFYZADRCSA-N 1 1 334.338 4.418 20 10 EICDMO CC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1ccc(F)cc1O ZINC000796848243 1029436369 /nfs/dbraw/zinc/43/63/69/1029436369.db2.gz XVDXFAGXRFKQDT-RDJZCZTQSA-N 1 1 341.785 4.098 20 10 EICDMO COCCC1CC[NH+]([C@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000527938528 1030950546 /nfs/dbraw/zinc/95/05/46/1030950546.db2.gz XHFZZFMRZFSMOF-GFCCVEGCSA-N 1 1 331.378 4.221 20 10 EICDMO CC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)c2ccccc21)c1ccc(F)cc1O ZINC000375837447 1031332004 /nfs/dbraw/zinc/33/20/04/1031332004.db2.gz GQEPFIVLCBMDPF-QZTJIDSGSA-N 1 1 342.414 4.070 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CCN(C(C)=O)c2ccccc21)c1ccc(F)cc1O ZINC000375837452 1031333554 /nfs/dbraw/zinc/33/35/54/1031333554.db2.gz GQEPFIVLCBMDPF-ZWKOTPCHSA-N 1 1 342.414 4.070 20 10 EICDMO COc1cc(Cl)cc(C[N@@H+]2CCOc3ccccc3[C@H]2C)c1O ZINC000761191747 1036011715 /nfs/dbraw/zinc/01/17/15/1036011715.db2.gz AJBONJSLBSBODY-GFCCVEGCSA-N 1 1 333.815 4.010 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CCOc3ccccc3[C@H]2C)c1O ZINC000761191747 1036011742 /nfs/dbraw/zinc/01/17/42/1036011742.db2.gz AJBONJSLBSBODY-GFCCVEGCSA-N 1 1 333.815 4.010 20 10 EICDMO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2c2ccccc2OC)c1O ZINC000761194246 1036016793 /nfs/dbraw/zinc/01/67/93/1036016793.db2.gz SBVFHASMHBDMBE-MRXNPFEDSA-N 1 1 347.842 4.400 20 10 EICDMO COc1cc(Cl)cc(C[N@H+](Cc2cccc(O)c2)CC2CC2)c1O ZINC000761195207 1036020407 /nfs/dbraw/zinc/02/04/07/1036020407.db2.gz IXZUHDMGYFCWKN-UHFFFAOYSA-N 1 1 347.842 4.172 20 10 EICDMO C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc2ccccc2c1[O-] ZINC000323834275 1036899513 /nfs/dbraw/zinc/89/95/13/1036899513.db2.gz BRQVOEZXUDENEL-QGZVFWFLSA-N 1 1 326.484 4.318 20 10 EICDMO CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)cc1OC ZINC000273384013 1037448396 /nfs/dbraw/zinc/44/83/96/1037448396.db2.gz IYPXXTWZMDFJHA-ZDUSSCGKSA-N 1 1 333.403 4.180 20 10 EICDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2cc(C)c(C)cc2O)c1 ZINC000016873917 1037769124 /nfs/dbraw/zinc/76/91/24/1037769124.db2.gz KITDFJPYVORJBF-LJQANCHMSA-N 1 1 341.451 4.363 20 10 EICDMO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc(N3CCCCC3)cc2)o1 ZINC000174480950 1038960971 /nfs/dbraw/zinc/96/09/71/1038960971.db2.gz LEAWTTYZKYGBOM-HXUWFJFHSA-N 1 1 342.483 4.310 20 10 EICDMO CCc1ccc([C@H](COC)[NH2+]Cc2ccc(N3CCCCC3)cc2)o1 ZINC000174480966 1038962249 /nfs/dbraw/zinc/96/22/49/1038962249.db2.gz LEAWTTYZKYGBOM-FQEVSTJZSA-N 1 1 342.483 4.310 20 10 EICDMO CCC[N@@H+](Cc1cn2cc(Cl)ccc2n1)Cc1ccccc1O ZINC000727830830 1043312307 /nfs/dbraw/zinc/31/23/07/1043312307.db2.gz QBROVVRVSMQNNH-UHFFFAOYSA-N 1 1 329.831 4.106 20 10 EICDMO CCCCc1noc(C[N@@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000731848517 1043834030 /nfs/dbraw/zinc/83/40/30/1043834030.db2.gz ZPXMCMGVDZSPLH-UHFFFAOYSA-N 1 1 329.444 4.063 20 10 EICDMO Oc1ccccc1C[N@H+](C[C@H](O)c1c(F)cccc1F)C1CCCC1 ZINC000732205720 1043886782 /nfs/dbraw/zinc/88/67/82/1043886782.db2.gz YFWOAWOPDILJAP-IBGZPJMESA-N 1 1 347.405 4.149 20 10 EICDMO Cc1cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)c(C)s1 ZINC000732202640 1043886810 /nfs/dbraw/zinc/88/68/10/1043886810.db2.gz AFQIRIXNBBVGQM-GOSISDBHSA-N 1 1 331.481 4.252 20 10 EICDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cc2ccccc2[nH]c1=O ZINC000732408304 1043922378 /nfs/dbraw/zinc/92/23/78/1043922378.db2.gz HEKQUEYFAZBORK-UHFFFAOYSA-N 1 1 349.478 4.417 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)CCC2 ZINC000732980091 1044060074 /nfs/dbraw/zinc/06/00/74/1044060074.db2.gz HBTQDDWIRRXKGB-LJQANCHMSA-N 1 1 329.390 4.496 20 10 EICDMO C[C@@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1)c1ccccc1O ZINC001168023378 1044577838 /nfs/dbraw/zinc/57/78/38/1044577838.db2.gz VXOVCLHXSKLGSP-AJYBTWMASA-N 1 1 338.495 4.484 20 10 EICDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3cc(C)cc(OC)c3O)C2)c1 ZINC000840145976 1044681997 /nfs/dbraw/zinc/68/19/97/1044681997.db2.gz IAXWJCLLANSRMY-SAABIXHNSA-N 1 1 341.451 4.096 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)Cc2cc(Br)cs2)cc1 ZINC000735170381 1044755066 /nfs/dbraw/zinc/75/50/66/1044755066.db2.gz WDOUPOHYGBSYAG-UHFFFAOYSA-N 1 1 339.302 4.209 20 10 EICDMO CCN(CC)c1ccc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1F ZINC000740003328 1045174355 /nfs/dbraw/zinc/17/43/55/1045174355.db2.gz XKHYKVZOMDGTJL-UHFFFAOYSA-N 1 1 335.511 4.071 20 10 EICDMO CC[N@@H+](Cc1ccncc1)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000915791479 1045465624 /nfs/dbraw/zinc/46/56/24/1045465624.db2.gz PNNNHWOBZZPUQA-UHFFFAOYSA-N 1 1 328.456 4.115 20 10 EICDMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C)cc(OC)c2O)cc1 ZINC000732526431 1045470234 /nfs/dbraw/zinc/47/02/34/1045470234.db2.gz DLQVBLKLKOXVPK-IBGZPJMESA-N 1 1 341.451 4.445 20 10 EICDMO CC[C@@H]([NH2+]C[C@@H](c1ccc(C)o1)N1CCCC1)c1ccc(F)cc1O ZINC000796738136 1045523223 /nfs/dbraw/zinc/52/32/23/1045523223.db2.gz GYGZMXHXDDQRNZ-MSOLQXFVSA-N 1 1 346.446 4.311 20 10 EICDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000790935474 1045626245 /nfs/dbraw/zinc/62/62/45/1045626245.db2.gz WTGSFNOVASLJLZ-OXQOHEQNSA-N 1 1 325.452 4.185 20 10 EICDMO C[N@H+](Cc1cc2oc3ccccc3c2cc1O)CC1CCOCC1 ZINC000767986988 1045692695 /nfs/dbraw/zinc/69/26/95/1045692695.db2.gz RGORMSNVRSTCNN-UHFFFAOYSA-N 1 1 325.408 4.150 20 10 EICDMO C[N@@H+](Cc1cc2oc3ccccc3c2cc1O)CC1CCOCC1 ZINC000767986988 1045692689 /nfs/dbraw/zinc/69/26/89/1045692689.db2.gz RGORMSNVRSTCNN-UHFFFAOYSA-N 1 1 325.408 4.150 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)Cc2cc(C)cc(C)c2)c1O ZINC001169985753 1045719073 /nfs/dbraw/zinc/71/90/73/1045719073.db2.gz DOMVAEQHBZKQDH-UHFFFAOYSA-N 1 1 331.843 4.497 20 10 EICDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2ccc(OC(F)F)cc2)c1 ZINC000768161304 1045729889 /nfs/dbraw/zinc/72/98/89/1045729889.db2.gz WXYCNLRKPNYZHR-UHFFFAOYSA-N 1 1 337.366 4.024 20 10 EICDMO Oc1ccc(Cl)cc1C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000768203483 1045741713 /nfs/dbraw/zinc/74/17/13/1045741713.db2.gz HZXQTTWQXFLUDC-HNNXBMFYSA-N 1 1 337.872 4.288 20 10 EICDMO COc1ccc2cc(C[N@@H+](C)Cc3c(O)cccc3OC)ccc2c1 ZINC000768204209 1045744242 /nfs/dbraw/zinc/74/42/42/1045744242.db2.gz SCVYVURWDDEJDX-UHFFFAOYSA-N 1 1 337.419 4.195 20 10 EICDMO CC[N@@H+](Cc1cccs1)Cc1cc(Br)ccc1O ZINC000768196399 1045752489 /nfs/dbraw/zinc/75/24/89/1045752489.db2.gz CFWSFMHQOMRLOU-UHFFFAOYSA-N 1 1 326.259 4.238 20 10 EICDMO COc1cccc(O)c1C[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000768228569 1045759573 /nfs/dbraw/zinc/75/95/73/1045759573.db2.gz GXHQEORKFZRAKU-UHFFFAOYSA-N 1 1 325.330 4.052 20 10 EICDMO CCOc1cccc(C[N@H+]2CCSC[C@@H]2c2ccccc2)c1O ZINC000768249611 1045762672 /nfs/dbraw/zinc/76/26/72/1045762672.db2.gz VYJUEWQWWMNVQW-QGZVFWFLSA-N 1 1 329.465 4.081 20 10 EICDMO C[C@@H](c1ccccc1)[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000768257709 1045769226 /nfs/dbraw/zinc/76/92/26/1045769226.db2.gz ORYJNAGXMCEWLQ-SFHVURJKSA-N 1 1 336.479 4.249 20 10 EICDMO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1O ZINC000768873555 1045849755 /nfs/dbraw/zinc/84/97/55/1045849755.db2.gz QFIGICHXTPSJLS-UHFFFAOYSA-N 1 1 338.363 4.192 20 10 EICDMO CC[C@H](C)Oc1cc(C[N@@H+](C)Cc2ccccc2O)ccc1OC ZINC000768873690 1045851553 /nfs/dbraw/zinc/85/15/53/1045851553.db2.gz UKQUYXPIHXBQTN-HNNXBMFYSA-N 1 1 329.440 4.210 20 10 EICDMO C[C@@H]1CCSCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000792196328 1045875886 /nfs/dbraw/zinc/87/58/86/1045875886.db2.gz IGQSIMWXEXCHCD-MRXNPFEDSA-N 1 1 343.492 4.299 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccc(OC)c(O)c2)cc1F ZINC000769018673 1045878025 /nfs/dbraw/zinc/87/80/25/1045878025.db2.gz XDYKNGIRPMIZAV-UHFFFAOYSA-N 1 1 346.446 4.018 20 10 EICDMO Cc1ccc(O)c(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c1 ZINC000769192867 1045885475 /nfs/dbraw/zinc/88/54/75/1045885475.db2.gz VHBYQDPDEXPINM-IBGZPJMESA-N 1 1 329.415 4.021 20 10 EICDMO COc1cccc(O)c1C[N@@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000769209448 1045894299 /nfs/dbraw/zinc/89/42/99/1045894299.db2.gz BZUXYQURAIZWID-UWJYYQICSA-N 1 1 341.451 4.001 20 10 EICDMO Cc1ccc(O)c(C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000769211773 1045895199 /nfs/dbraw/zinc/89/51/99/1045895199.db2.gz MHOCLXLBEWKOQN-GHTZIAJQSA-N 1 1 325.452 4.300 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000769309737 1045914997 /nfs/dbraw/zinc/91/49/97/1045914997.db2.gz FYANRGIPAGIVLH-FQEVSTJZSA-N 1 1 333.435 4.093 20 10 EICDMO OCCC[N@@H+](Cc1ccccc1)Cc1ccc(N2CCCCC2)cc1 ZINC000769326298 1045922459 /nfs/dbraw/zinc/92/24/59/1045922459.db2.gz IGKGORQEPVQBFO-UHFFFAOYSA-N 1 1 338.495 4.062 20 10 EICDMO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2ccccc2OC)c1O ZINC000769333179 1045925975 /nfs/dbraw/zinc/92/59/75/1045925975.db2.gz FYNYXRJVJVORQY-QGZVFWFLSA-N 1 1 327.424 4.137 20 10 EICDMO Cn1nc(C[N@@H+](Cc2ccccc2O)C2CCCC2)c2ccccc21 ZINC000769382883 1045942361 /nfs/dbraw/zinc/94/23/61/1045942361.db2.gz CPICSBQAKGTEEA-UHFFFAOYSA-N 1 1 335.451 4.224 20 10 EICDMO CCN(Cc1ccccc1)c1ccc(C[N@H+]2CC[C@@H](COC)C2)cc1 ZINC000769403677 1045952931 /nfs/dbraw/zinc/95/29/31/1045952931.db2.gz UQGKUJZPJHKRAG-OAQYLSRUSA-N 1 1 338.495 4.181 20 10 EICDMO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(N(C)C)c(F)c1)CCC2 ZINC000769404790 1045953627 /nfs/dbraw/zinc/95/36/27/1045953627.db2.gz QAMQYYHLRDTEHI-KRWDZBQOSA-N 1 1 333.476 4.166 20 10 EICDMO CCN(Cc1ccccc1)c1ccc(C[N@@H+](C)Cc2cn[nH]c2)cc1 ZINC000769422787 1045957923 /nfs/dbraw/zinc/95/79/23/1045957923.db2.gz CTRGIZOTFGPKNS-UHFFFAOYSA-N 1 1 334.467 4.068 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@H](CCO)c1ccccc1 ZINC000769426298 1045958562 /nfs/dbraw/zinc/95/85/62/1045958562.db2.gz PEZVBXHVTKGSFF-JOCHJYFZSA-N 1 1 338.495 4.232 20 10 EICDMO CCOc1cccc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)c1O ZINC000769471822 1045987311 /nfs/dbraw/zinc/98/73/11/1045987311.db2.gz DFFKEGIAHRUZLO-OXQOHEQNSA-N 1 1 341.451 4.061 20 10 EICDMO O=C(C[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000769493863 1045994548 /nfs/dbraw/zinc/99/45/48/1045994548.db2.gz XWZVCKJQFDMSJX-QGZVFWFLSA-N 1 1 329.827 4.283 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000769514979 1046005483 /nfs/dbraw/zinc/00/54/83/1046005483.db2.gz PYBJXIIBYBUPOD-LJQANCHMSA-N 1 1 330.497 4.168 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000769514979 1046005497 /nfs/dbraw/zinc/00/54/97/1046005497.db2.gz PYBJXIIBYBUPOD-LJQANCHMSA-N 1 1 330.497 4.168 20 10 EICDMO CC[N@@H+](Cc1ccsc1)Cc1cc(Br)ccc1O ZINC000769539715 1046013692 /nfs/dbraw/zinc/01/36/92/1046013692.db2.gz MBFJZFBDHKTWAP-UHFFFAOYSA-N 1 1 326.259 4.238 20 10 EICDMO Cn1c[nH+]c2cc(NCc3ccccc3OCc3ccncc3)ccc21 ZINC000770588186 1046229958 /nfs/dbraw/zinc/22/99/58/1046229958.db2.gz IVZCFLGTZWHHBC-UHFFFAOYSA-N 1 1 344.418 4.159 20 10 EICDMO C[C@@H]([NH2+]CCc1ccc2cn[nH]c2c1)c1cc2c(cc1O)CCCC2 ZINC000793567587 1046296603 /nfs/dbraw/zinc/29/66/03/1046296603.db2.gz IMXPKBVQRVPNKW-CQSZACIVSA-N 1 1 335.451 4.041 20 10 EICDMO Cc1nc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)nc2ccccc12 ZINC000771790671 1046492832 /nfs/dbraw/zinc/49/28/32/1046492832.db2.gz FWWKUSGKMFNGAD-UHFFFAOYSA-N 1 1 346.478 4.169 20 10 EICDMO Cc1nc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)nc2ccccc12 ZINC000771790671 1046492810 /nfs/dbraw/zinc/49/28/10/1046492810.db2.gz FWWKUSGKMFNGAD-UHFFFAOYSA-N 1 1 346.478 4.169 20 10 EICDMO Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000771935111 1046527422 /nfs/dbraw/zinc/52/74/22/1046527422.db2.gz IMCHTQTXRFBMID-UHFFFAOYSA-N 1 1 348.494 4.187 20 10 EICDMO COCc1ccc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000771935552 1046528622 /nfs/dbraw/zinc/52/86/22/1046528622.db2.gz WSZFKHDSRSCFNE-UHFFFAOYSA-N 1 1 338.495 4.455 20 10 EICDMO Cn1nc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)c2ccccc21 ZINC000771935197 1046529177 /nfs/dbraw/zinc/52/91/77/1046529177.db2.gz OFEKINVNZWTSNL-UHFFFAOYSA-N 1 1 348.494 4.196 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(OCC(F)F)cc2)cc1 ZINC000771935571 1046529272 /nfs/dbraw/zinc/52/92/72/1046529272.db2.gz XQBLYDQQSOKCLC-UHFFFAOYSA-N 1 1 334.410 4.029 20 10 EICDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H]2c2ccccc2)c1O ZINC000771939375 1046531343 /nfs/dbraw/zinc/53/13/43/1046531343.db2.gz QKYAFIMYIROWTN-OAHLLOKOSA-N 1 1 348.240 4.110 20 10 EICDMO COc1cc(Br)cc(C[N@@H+]2CC[C@@H]2c2ccccc2)c1O ZINC000771939375 1046531329 /nfs/dbraw/zinc/53/13/29/1046531329.db2.gz QKYAFIMYIROWTN-OAHLLOKOSA-N 1 1 348.240 4.110 20 10 EICDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2cc3ccccc3o2)c1 ZINC000785571909 1046723131 /nfs/dbraw/zinc/72/31/31/1046723131.db2.gz WDVIAWKQDALXFQ-CHWSQXEVSA-N 1 1 339.391 4.337 20 10 EICDMO C[C@H]([NH2+]CCn1cnc2ccccc21)c1cccc(C(F)(F)F)c1O ZINC000788575443 1047235803 /nfs/dbraw/zinc/23/58/03/1047235803.db2.gz WQWYJYPYLNFVFD-LBPRGKRZSA-N 1 1 349.356 4.112 20 10 EICDMO C[C@H]([NH2+]CCc1ccccc1O)c1cccc(C(F)(F)F)c1O ZINC000788581548 1047239073 /nfs/dbraw/zinc/23/90/73/1047239073.db2.gz BIJIYKMPDKACBK-NSHDSACASA-N 1 1 325.330 4.010 20 10 EICDMO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788602254 1047243546 /nfs/dbraw/zinc/24/35/46/1047243546.db2.gz APHVJBYYQOBMFG-BDAKNGLRSA-N 1 1 328.334 4.428 20 10 EICDMO C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000788604228 1047245796 /nfs/dbraw/zinc/24/57/96/1047245796.db2.gz IXVZKCCKZXRJPB-LLVKDONJSA-N 1 1 344.282 4.292 20 10 EICDMO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788668662 1047267935 /nfs/dbraw/zinc/26/79/35/1047267935.db2.gz XMSGUCVQMUIEFJ-MFKMUULPSA-N 1 1 345.386 4.165 20 10 EICDMO C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)c1cccc(C(F)(F)F)c1O ZINC000788824806 1047319761 /nfs/dbraw/zinc/31/97/61/1047319761.db2.gz WJLURZGMUHUUEW-SWLSCSKDSA-N 1 1 343.389 4.411 20 10 EICDMO CC[C@H]([NH2+]CCc1cc(F)c(F)c(F)c1)c1ccc(F)cc1O ZINC000796931349 1047565327 /nfs/dbraw/zinc/56/53/27/1047565327.db2.gz OZGXIYPAISEJEQ-HNNXBMFYSA-N 1 1 327.321 4.232 20 10 EICDMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@H]3c3cc(C)on3)c2c1 ZINC000747448176 1047586652 /nfs/dbraw/zinc/58/66/52/1047586652.db2.gz CLJGTYJAKBKYSK-IBGZPJMESA-N 1 1 338.407 4.188 20 10 EICDMO COc1cc(C[N@@H+]2CCCn3c(cc4ccccc43)C2)c(O)cc1C ZINC000808225527 1047630242 /nfs/dbraw/zinc/63/02/42/1047630242.db2.gz QAGNXNGVBPANLI-UHFFFAOYSA-N 1 1 336.435 4.070 20 10 EICDMO COc1cc(C[N@H+]2CCCn3c(cc4ccccc43)C2)c(O)cc1C ZINC000808225527 1047630262 /nfs/dbraw/zinc/63/02/62/1047630262.db2.gz QAGNXNGVBPANLI-UHFFFAOYSA-N 1 1 336.435 4.070 20 10 EICDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000825090939 1048032557 /nfs/dbraw/zinc/03/25/57/1048032557.db2.gz OCNBPPUCASDZDF-LJQANCHMSA-N 1 1 325.452 4.042 20 10 EICDMO Cc1ccc2nc(C[NH2+][C@@H](C)c3cc(Cl)cc(C)c3O)[nH]c2c1 ZINC000808700641 1048079205 /nfs/dbraw/zinc/07/92/05/1048079205.db2.gz NUGJJCMLDRMCEL-LBPRGKRZSA-N 1 1 329.831 4.390 20 10 EICDMO Cc1cc(C[NH2+][C@H](COCC(C)C)c2ccco2)ccc1N(C)C ZINC000815089014 1048325875 /nfs/dbraw/zinc/32/58/75/1048325875.db2.gz IYNUTTOLCDOOBE-GOSISDBHSA-N 1 1 330.472 4.158 20 10 EICDMO CC(C)([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc(F)c(F)c1 ZINC000790972848 1048384389 /nfs/dbraw/zinc/38/43/89/1048384389.db2.gz IBDPSYSBBWBHNI-UHFFFAOYSA-N 1 1 329.749 4.488 20 10 EICDMO Cn1nccc1C1=CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000809689980 1048455243 /nfs/dbraw/zinc/45/52/43/1048455243.db2.gz GVAVZZVKNGYULR-UHFFFAOYSA-N 1 1 345.446 4.082 20 10 EICDMO Oc1ccc(Br)cc1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000809688165 1048478015 /nfs/dbraw/zinc/47/80/15/1048478015.db2.gz CSZCTBRXPRASMD-UHFFFAOYSA-N 1 1 334.213 4.037 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)cc1F ZINC000809728758 1048481826 /nfs/dbraw/zinc/48/18/26/1048481826.db2.gz GXBCBRJYZNVRGC-LJQANCHMSA-N 1 1 327.447 4.404 20 10 EICDMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@]4(CC4(F)F)C3)c2c1 ZINC000844745758 1048485302 /nfs/dbraw/zinc/48/53/02/1048485302.db2.gz GIBUWMDHEDTVEC-SFHVURJKSA-N 1 1 333.378 4.175 20 10 EICDMO OC[C@H]1C=C[C@@H]([N@@H+](Cc2cccs2)Cc2cc(Cl)ccc2O)C1 ZINC000809768731 1048501541 /nfs/dbraw/zinc/50/15/41/1048501541.db2.gz VJFPGYABIQMQTN-XJKSGUPXSA-N 1 1 349.883 4.046 20 10 EICDMO Cc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815579133 1048518961 /nfs/dbraw/zinc/51/89/61/1048518961.db2.gz FPKGIYMBIYPTER-MLGOLLRUSA-N 1 1 339.357 4.104 20 10 EICDMO CCCN(CCC)c1ccc(C[N@H+]2CC[C@H](c3nccn3C)C2)cc1 ZINC000809757679 1048521612 /nfs/dbraw/zinc/52/16/12/1048521612.db2.gz QVWVUQKROMBVFF-IBGZPJMESA-N 1 1 340.515 4.036 20 10 EICDMO CC[C@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)C1CCOCC1 ZINC000815585844 1048524110 /nfs/dbraw/zinc/52/41/10/1048524110.db2.gz UKFIWHQWTBLXOG-ABAIWWIYSA-N 1 1 331.378 4.267 20 10 EICDMO COC[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)c1ccccc1 ZINC000815593632 1048528641 /nfs/dbraw/zinc/52/86/41/1048528641.db2.gz SOVIWHYJXIXHPR-BLLLJJGKSA-N 1 1 339.357 4.449 20 10 EICDMO CCOc1ccc(C[N@@H+](C)[C@H](CC)c2ccccc2OC)c(O)c1 ZINC000809781323 1048530692 /nfs/dbraw/zinc/53/06/92/1048530692.db2.gz QHDVJNGAJLMHNJ-GOSISDBHSA-N 1 1 329.440 4.383 20 10 EICDMO CC1(C)C[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1cccs1 ZINC000809782937 1048532331 /nfs/dbraw/zinc/53/23/31/1048532331.db2.gz LUVWKXWBDHKHNQ-LJQANCHMSA-N 1 1 342.508 4.168 20 10 EICDMO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1cccc(C(F)(F)F)c1O ZINC000815617545 1048544817 /nfs/dbraw/zinc/54/48/17/1048544817.db2.gz PPUOETXKUKVWJE-JVLSTEMRSA-N 1 1 329.362 4.019 20 10 EICDMO CCc1noc(C)c1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815641110 1048568600 /nfs/dbraw/zinc/56/86/00/1048568600.db2.gz PKNRWLJFFROXSS-VIFPVBQESA-N 1 1 328.334 4.121 20 10 EICDMO Oc1cc(F)c(Br)cc1C[NH+]1C2CCCC1CCC2 ZINC001144307873 1048586035 /nfs/dbraw/zinc/58/60/35/1048586035.db2.gz KAEXLMQZZPUMGS-UHFFFAOYSA-N 1 1 328.225 4.201 20 10 EICDMO COc1cc(Br)cc(CNc2cc(C3CC3)cc[nH+]2)c1O ZINC000810175612 1048669314 /nfs/dbraw/zinc/66/93/14/1048669314.db2.gz PAKWEFSQNNODLE-UHFFFAOYSA-N 1 1 349.228 4.048 20 10 EICDMO Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc3ccccc3c2O)c1C ZINC000816482220 1048812156 /nfs/dbraw/zinc/81/21/56/1048812156.db2.gz YKEIXIBGIKCCAX-UHFFFAOYSA-N 1 1 348.446 4.233 20 10 EICDMO Cc1cc(Cl)cc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000816482606 1048813147 /nfs/dbraw/zinc/81/31/47/1048813147.db2.gz MLFRAECJEFNYTD-UHFFFAOYSA-N 1 1 344.886 4.117 20 10 EICDMO Oc1c(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)ccc2ccccc21 ZINC000816491799 1048813921 /nfs/dbraw/zinc/81/39/21/1048813921.db2.gz ZAPJQGYMPWNZJH-OAHLLOKOSA-N 1 1 339.357 4.089 20 10 EICDMO Oc1c(C[N@H+]2CCO[C@H](c3cccs3)C2)ccc2ccccc21 ZINC000816498257 1048819888 /nfs/dbraw/zinc/81/98/88/1048819888.db2.gz NRXSYEWXLCFVSQ-KRWDZBQOSA-N 1 1 325.433 4.180 20 10 EICDMO COc1cccc([C@H](C)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1O ZINC000846148404 1048823972 /nfs/dbraw/zinc/82/39/72/1048823972.db2.gz YUWLUQPALIURAB-HOTGVXAUSA-N 1 1 342.483 4.181 20 10 EICDMO COc1ccc([C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C2CC2)cc1 ZINC000816530819 1048825074 /nfs/dbraw/zinc/82/50/74/1048825074.db2.gz WFABPFDPXZJKDR-GOSISDBHSA-N 1 1 335.806 4.434 20 10 EICDMO COc1ccccc1C1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816544578 1048828562 /nfs/dbraw/zinc/82/85/62/1048828562.db2.gz MRTHTUKIQHHUSU-UHFFFAOYSA-N 1 1 335.806 4.015 20 10 EICDMO [O-]c1c(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)ccc2ccccc21 ZINC000816555733 1048833700 /nfs/dbraw/zinc/83/37/00/1048833700.db2.gz OMVURNUWTXCXMI-UHFFFAOYSA-N 1 1 338.495 4.432 20 10 EICDMO CC(C)([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccc(F)c(F)c1 ZINC000816555556 1048834641 /nfs/dbraw/zinc/83/46/41/1048834641.db2.gz JCRDRLURGXDSRG-UHFFFAOYSA-N 1 1 329.749 4.488 20 10 EICDMO CC(C)(C)c1nc(CC[NH2+]Cc2cc(Cl)c(F)cc2O)cs1 ZINC000816559442 1048835147 /nfs/dbraw/zinc/83/51/47/1048835147.db2.gz KJWDRZHMGBXKIU-UHFFFAOYSA-N 1 1 342.867 4.271 20 10 EICDMO C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc3ccccc3c2O)cc1 ZINC000816610806 1048844011 /nfs/dbraw/zinc/84/40/11/1048844011.db2.gz ZGHBFYQUXSICIA-UHFFFAOYSA-N 1 1 334.463 4.239 20 10 EICDMO C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc3ccccc3c2[O-])cc1 ZINC000816610806 1048844015 /nfs/dbraw/zinc/84/40/15/1048844015.db2.gz ZGHBFYQUXSICIA-UHFFFAOYSA-N 1 1 334.463 4.239 20 10 EICDMO C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc3ccccc3c2[O-])cc1 ZINC000816610806 1048844016 /nfs/dbraw/zinc/84/40/16/1048844016.db2.gz ZGHBFYQUXSICIA-UHFFFAOYSA-N 1 1 334.463 4.239 20 10 EICDMO CCOc1cccc(C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c1O ZINC000816659345 1048849589 /nfs/dbraw/zinc/84/95/89/1048849589.db2.gz JZRDMFVLUWFWQP-KRWDZBQOSA-N 1 1 347.842 4.098 20 10 EICDMO C[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(F)cc1O ZINC000817975044 1049076134 /nfs/dbraw/zinc/07/61/34/1049076134.db2.gz HZUVISYJQACGEU-BZNIZROVSA-N 1 1 330.403 4.067 20 10 EICDMO CC[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817984943 1049076415 /nfs/dbraw/zinc/07/64/15/1049076415.db2.gz CREFYLTWQPJZQD-UKRRQHHQSA-N 1 1 342.405 4.126 20 10 EICDMO CSc1ccc(C[NH2+]Cc2cccc(Br)c2O)s1 ZINC000811495967 1049090045 /nfs/dbraw/zinc/09/00/45/1049090045.db2.gz NIIXLLKDJYTOFM-UHFFFAOYSA-N 1 1 344.299 4.228 20 10 EICDMO Cc1cc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c(O)c(C(C)(C)C)c1 ZINC000811804058 1049274086 /nfs/dbraw/zinc/27/40/86/1049274086.db2.gz ZTKBKTNDGVDOCQ-MRXNPFEDSA-N 1 1 347.890 4.295 20 10 EICDMO COc1ccc(O)c(C[N@@H+](Cc2ccco2)Cc2cccs2)c1 ZINC000179564515 1049674873 /nfs/dbraw/zinc/67/48/73/1049674873.db2.gz AJSODSGYUFDWCN-UHFFFAOYSA-N 1 1 329.421 4.258 20 10 EICDMO Oc1ccccc1C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000179585498 1049680992 /nfs/dbraw/zinc/68/09/92/1049680992.db2.gz MYSXWHWBFAHBPF-AEFFLSMTSA-N 1 1 331.481 4.322 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)[C@H]2CCc3cc(F)c(F)cc3C2)cc1 ZINC001171495480 1049721766 /nfs/dbraw/zinc/72/17/66/1049721766.db2.gz ITNHDDUUIZHISP-SFHVURJKSA-N 1 1 330.422 4.020 20 10 EICDMO CCC[N@@H+](Cc1cn(C)nc1-c1cccs1)Cc1ccccc1O ZINC000179929482 1049806138 /nfs/dbraw/zinc/80/61/38/1049806138.db2.gz RUILOOYYXFFQDP-UHFFFAOYSA-N 1 1 341.480 4.266 20 10 EICDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCCC(F)(F)C2)c1 ZINC000813872303 1049828649 /nfs/dbraw/zinc/82/86/49/1049828649.db2.gz BLSJKEIXLOCCSO-CHWSQXEVSA-N 1 1 341.398 4.045 20 10 EICDMO CC[C@H](C)OCC[C@@H](C)[NH2+]Cc1cc(Cl)c2cccnc2c1O ZINC001172323355 1049878076 /nfs/dbraw/zinc/87/80/76/1049878076.db2.gz BWUZPIHLVNKCRU-OLZOCXBDSA-N 1 1 336.863 4.277 20 10 EICDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000824142178 1049900539 /nfs/dbraw/zinc/90/05/39/1049900539.db2.gz LEFRUVKLMAASFN-LJQANCHMSA-N 1 1 344.524 4.385 20 10 EICDMO CN(Cc1cccs1)c1ccc(C[N@@H+](C)Cc2ccncc2)cc1 ZINC000824153202 1049902878 /nfs/dbraw/zinc/90/28/78/1049902878.db2.gz DASBFCFPNZHQKN-UHFFFAOYSA-N 1 1 337.492 4.412 20 10 EICDMO CC1(C)CC([NH2+]Cc2cc(Cl)c3cccnc3c2O)CC(C)(C)O1 ZINC001172646348 1049955032 /nfs/dbraw/zinc/95/50/32/1049955032.db2.gz HJCMZBRTVNKQAI-UHFFFAOYSA-N 1 1 348.874 4.420 20 10 EICDMO CC[N@@H+](Cc1ccccc1O)[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173079043 1050294523 /nfs/dbraw/zinc/29/45/23/1050294523.db2.gz VDPFXCFODKBTHE-DOTOQJQBSA-N 1 1 348.487 4.002 20 10 EICDMO C[C@H]1CCc2ccccc2N1CC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC001177827900 1050298716 /nfs/dbraw/zinc/29/87/16/1050298716.db2.gz FQRUPWOJLUJGLN-ZDUSSCGKSA-N 1 1 348.849 4.116 20 10 EICDMO CCCOc1ccc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)cc1C ZINC001178693781 1050531612 /nfs/dbraw/zinc/53/16/12/1050531612.db2.gz ASNOCUBUOIGUDJ-UHFFFAOYSA-N 1 1 349.478 4.318 20 10 EICDMO C[C@@H]1CC[C@](CO)([NH2+]Cc2c(O)ccc(Cl)c2F)c2ccccc21 ZINC001179792914 1050781762 /nfs/dbraw/zinc/78/17/62/1050781762.db2.gz CYNGILNWZJLDKD-CWTRNNRKSA-N 1 1 349.833 4.059 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)Cc2cc3c(ccnc3Cl)o2)cc1 ZINC001179844798 1050792276 /nfs/dbraw/zinc/79/22/76/1050792276.db2.gz CJBVAQARRYKBPX-UHFFFAOYSA-N 1 1 329.831 4.179 20 10 EICDMO CC1(C)C[N@@H+](Cc2c(O)cccc2Br)Cc2ccccc21 ZINC001179958165 1050846922 /nfs/dbraw/zinc/84/69/22/1050846922.db2.gz WIDRULLNJBJSHX-UHFFFAOYSA-N 1 1 346.268 4.448 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)cc1Cl ZINC001180058271 1050871029 /nfs/dbraw/zinc/87/10/29/1050871029.db2.gz PHCADXPVMNJHPR-KRWDZBQOSA-N 1 1 330.859 4.431 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)Cc1cc(OC)c(OC)cc1Cl ZINC001180188895 1050897217 /nfs/dbraw/zinc/89/72/17/1050897217.db2.gz LEVLPYHCRIJSSW-UHFFFAOYSA-N 1 1 349.858 4.475 20 10 EICDMO COc1cc(C)cc(C[N@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)c1O ZINC001180183806 1050897544 /nfs/dbraw/zinc/89/75/44/1050897544.db2.gz HQKPEWKGRZUGJB-LJQANCHMSA-N 1 1 343.442 4.446 20 10 EICDMO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2cc(F)cc(F)c2O)c1 ZINC001180202954 1050911367 /nfs/dbraw/zinc/91/13/67/1050911367.db2.gz FWNUZMGQFKTPHR-GOSISDBHSA-N 1 1 332.394 4.074 20 10 EICDMO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2cc(F)cc(F)c2O)c1 ZINC001180202954 1050911381 /nfs/dbraw/zinc/91/13/81/1050911381.db2.gz FWNUZMGQFKTPHR-GOSISDBHSA-N 1 1 332.394 4.074 20 10 EICDMO COc1ccc(OCC[N@@H+](C)Cc2ccc3ccccc3c2O)cc1 ZINC001180452994 1051005935 /nfs/dbraw/zinc/00/59/35/1051005935.db2.gz SWMYLZJCONKRSC-UHFFFAOYSA-N 1 1 337.419 4.065 20 10 EICDMO CSCCCCC[NH2+]Cc1cc(C)cc(Br)c1O ZINC000775362465 1051129632 /nfs/dbraw/zinc/12/96/32/1051129632.db2.gz UUWDWAKDSLEOJX-UHFFFAOYSA-N 1 1 332.307 4.086 20 10 EICDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2ncc(-c3ccc(C)cc3)o2)c1 ZINC000775369731 1051138799 /nfs/dbraw/zinc/13/87/99/1051138799.db2.gz GPVRJDUWWPZPRH-AWEZNQCLSA-N 1 1 338.407 4.215 20 10 EICDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2ncc(-c3ccccc3C)o2)c1 ZINC000775369876 1051144124 /nfs/dbraw/zinc/14/41/24/1051144124.db2.gz BGEHEABGEHXPJS-AWEZNQCLSA-N 1 1 338.407 4.215 20 10 EICDMO Oc1cc(Br)ccc1C[N@H+]1CCCc2ccccc2CC1 ZINC001181818991 1051318217 /nfs/dbraw/zinc/31/82/17/1051318217.db2.gz RRHCOFNTBUFCGQ-UHFFFAOYSA-N 1 1 346.268 4.146 20 10 EICDMO CCN(C)c1ccc(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC001191060230 1051337363 /nfs/dbraw/zinc/33/73/63/1051337363.db2.gz ZBQZAPKZYHENMG-PZJWPPBQSA-N 1 1 343.559 4.229 20 10 EICDMO CCC[N@@H+](Cc1ccc(N(C)CC)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC001191174012 1051373676 /nfs/dbraw/zinc/37/36/76/1051373676.db2.gz MSZDVHZEXIPMAW-AQNXPRMDSA-N 1 1 330.516 4.168 20 10 EICDMO Cc1cc(O)c(C[N@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)cc1Cl ZINC001182125451 1051395968 /nfs/dbraw/zinc/39/59/68/1051395968.db2.gz ABJDUDZZOZLSFG-CVEARBPZSA-N 1 1 347.886 4.341 20 10 EICDMO CCN(C)c1ccc(C[N@@H+](CC)[C@H](COC)Cc2ccccc2)cc1 ZINC001191454271 1051458855 /nfs/dbraw/zinc/45/88/55/1051458855.db2.gz MVGZVTYQMBCRNZ-QFIPXVFZSA-N 1 1 340.511 4.222 20 10 EICDMO C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774142558 1051462450 /nfs/dbraw/zinc/46/24/50/1051462450.db2.gz IEZGHZQXJODUBV-HTQZYQBOSA-N 1 1 346.176 4.317 20 10 EICDMO Cc1csc(CC[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)n1 ZINC000774123156 1051468903 /nfs/dbraw/zinc/46/89/03/1051468903.db2.gz NSKWFRMDSOWYFV-SECBINFHSA-N 1 1 331.268 4.357 20 10 EICDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1ccc(N(C)CC)cc1 ZINC001191531444 1051478144 /nfs/dbraw/zinc/47/81/44/1051478144.db2.gz SKNKHVBBHAHUKB-HXUWFJFHSA-N 1 1 337.511 4.373 20 10 EICDMO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1cc(Cl)c(Cl)cc1O ZINC000774198288 1051497516 /nfs/dbraw/zinc/49/75/16/1051497516.db2.gz OMZDRTKOGIBHSI-BDJLRTHQSA-N 1 1 340.250 4.473 20 10 EICDMO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1nnc(-c2ccccc2)o1 ZINC000774482079 1051610948 /nfs/dbraw/zinc/61/09/48/1051610948.db2.gz FKBFTMBLECYUAQ-HUUCEWRRSA-N 1 1 336.439 4.214 20 10 EICDMO Cc1ccc(C[N@H+]2CCN(Cc3ccccc3)[C@@H](C(C)C)C2)c(O)c1 ZINC001182901712 1051737186 /nfs/dbraw/zinc/73/71/86/1051737186.db2.gz GOIYAWNFGMLBMI-OAQYLSRUSA-N 1 1 338.495 4.043 20 10 EICDMO Cc1ccc(CN2CC[N@H+](Cc3ccccc3)[C@@H](C(C)C)C2)c(O)c1 ZINC001182901712 1051737202 /nfs/dbraw/zinc/73/72/02/1051737202.db2.gz GOIYAWNFGMLBMI-OAQYLSRUSA-N 1 1 338.495 4.043 20 10 EICDMO Cc1ccc(CN2CC[N@@H+](Cc3ccccc3)[C@@H](C(C)C)C2)c(O)c1 ZINC001182901712 1051737213 /nfs/dbraw/zinc/73/72/13/1051737213.db2.gz GOIYAWNFGMLBMI-OAQYLSRUSA-N 1 1 338.495 4.043 20 10 EICDMO CC(=O)Nc1cccc2c1C[N@@H+](Cc1cc(C(C)C)ccc1O)CC2 ZINC001183291576 1051820131 /nfs/dbraw/zinc/82/01/31/1051820131.db2.gz JXXMBBFKBCLUKK-UHFFFAOYSA-N 1 1 338.451 4.032 20 10 EICDMO Cc1cc(C[NH2+]Cc2cc(F)ncc2F)c(C)n1-c1cccc(C)c1 ZINC001183270744 1051820366 /nfs/dbraw/zinc/82/03/66/1051820366.db2.gz YMDRQMAPFJZRLO-UHFFFAOYSA-N 1 1 341.405 4.366 20 10 EICDMO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001193448963 1051922129 /nfs/dbraw/zinc/92/21/29/1051922129.db2.gz YPRLFTHAQGYFFU-QRWLVFNGSA-N 1 1 344.886 4.368 20 10 EICDMO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001193448963 1051922138 /nfs/dbraw/zinc/92/21/38/1051922138.db2.gz YPRLFTHAQGYFFU-QRWLVFNGSA-N 1 1 344.886 4.368 20 10 EICDMO Cc1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)ccc1N1CCCCC1 ZINC001194306894 1052125627 /nfs/dbraw/zinc/12/56/27/1052125627.db2.gz MXRLJKBIUUXHPJ-SFTDATJTSA-N 1 1 328.500 4.129 20 10 EICDMO COc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)cc1 ZINC000774848877 1052202595 /nfs/dbraw/zinc/20/25/95/1052202595.db2.gz JMJHBISNUFXHJF-LLVKDONJSA-N 1 1 333.815 4.108 20 10 EICDMO COc1c([O-])c(C[N@@H+](C)[C@H](c2ccccc2)C(C)C)ccc1[N+](=O)[O-] ZINC000774885167 1052251923 /nfs/dbraw/zinc/25/19/23/1052251923.db2.gz JCYGDRNDIFAMBE-KRWDZBQOSA-N 1 1 344.411 4.138 20 10 EICDMO COc1c(O)c(C[N@H+](C)[C@H](c2ccccc2)C(C)C)ccc1[N+](=O)[O-] ZINC000774885167 1052251931 /nfs/dbraw/zinc/25/19/31/1052251931.db2.gz JCYGDRNDIFAMBE-KRWDZBQOSA-N 1 1 344.411 4.138 20 10 EICDMO COc1c(O)c(C[N@@H+](C)[C@H](c2ccccc2)C(C)C)ccc1[N+](=O)[O-] ZINC000774885167 1052251939 /nfs/dbraw/zinc/25/19/39/1052251939.db2.gz JCYGDRNDIFAMBE-KRWDZBQOSA-N 1 1 344.411 4.138 20 10 EICDMO COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000794661614 1053240706 /nfs/dbraw/zinc/24/07/06/1053240706.db2.gz PWNHRXKYRIMSSL-BXUZGUMPSA-N 1 1 345.405 4.471 20 10 EICDMO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1ccc(N2CCCCCC2)cc1 ZINC000850499421 1053260402 /nfs/dbraw/zinc/26/04/02/1053260402.db2.gz PFVSEIWAZKGTDK-GJYPPUQNSA-N 1 1 339.487 4.015 20 10 EICDMO Cn1cnc2cc(C[N@@H+](C)Cc3ccc(N4CCCCC4)cc3)ccc21 ZINC000775634757 1053260500 /nfs/dbraw/zinc/26/05/00/1053260500.db2.gz WIUXEOAMJQIDLS-UHFFFAOYSA-N 1 1 348.494 4.196 20 10 EICDMO COc1cc(O)c(C[N@@H+](Cc2ccccc2)C(C)(C)C)cc1OC ZINC000775638817 1053283032 /nfs/dbraw/zinc/28/30/32/1053283032.db2.gz NBHDWPGLNVFMGQ-UHFFFAOYSA-N 1 1 329.440 4.210 20 10 EICDMO CC(C)[C@H](O)[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ccccc1 ZINC000850554442 1053309547 /nfs/dbraw/zinc/30/95/47/1053309547.db2.gz JPLJQOKXVPAHOG-IGNZVWTISA-N 1 1 335.394 4.079 20 10 EICDMO CC(C)C[NH+]1CCC(N[C@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000764828181 1053319243 /nfs/dbraw/zinc/31/92/43/1053319243.db2.gz QBMLPMOTZWHHQB-LJQANCHMSA-N 1 1 343.559 4.448 20 10 EICDMO CC(C)CN1CCC([NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000764828181 1053319261 /nfs/dbraw/zinc/31/92/61/1053319261.db2.gz QBMLPMOTZWHHQB-LJQANCHMSA-N 1 1 343.559 4.448 20 10 EICDMO C[C@H]([NH2+]CCC1SCCS1)c1cccc(C(F)(F)F)c1O ZINC000850569048 1053322292 /nfs/dbraw/zinc/32/22/92/1053322292.db2.gz ROVVXKCFWGNBIG-VIFPVBQESA-N 1 1 337.432 4.258 20 10 EICDMO Cc1cc(Br)cc(C[N@@H+](C)Cc2ccsc2)c1O ZINC000775645001 1053330179 /nfs/dbraw/zinc/33/01/79/1053330179.db2.gz ZYIRDJFRWBWSMT-UHFFFAOYSA-N 1 1 326.259 4.157 20 10 EICDMO CCC[N@@H+](Cc1cc(OC)ccc1O)[C@@H](C)c1ccccc1OC ZINC000775653682 1053388846 /nfs/dbraw/zinc/38/88/46/1053388846.db2.gz MNFAHRHAACZXHU-HNNXBMFYSA-N 1 1 329.440 4.383 20 10 EICDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775659343 1053417771 /nfs/dbraw/zinc/41/77/71/1053417771.db2.gz WCJOMQDYHRRKPV-DVOMOZLQSA-N 1 1 340.870 4.022 20 10 EICDMO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000775659343 1053417778 /nfs/dbraw/zinc/41/77/78/1053417778.db2.gz WCJOMQDYHRRKPV-DVOMOZLQSA-N 1 1 340.870 4.022 20 10 EICDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000775659343 1053417784 /nfs/dbraw/zinc/41/77/84/1053417784.db2.gz WCJOMQDYHRRKPV-DVOMOZLQSA-N 1 1 340.870 4.022 20 10 EICDMO Cc1cccc(C[N@@H+](C)Cc2csc(Br)c2)c1O ZINC000775659481 1053422416 /nfs/dbraw/zinc/42/24/16/1053422416.db2.gz IBLRICNSZAOGKG-UHFFFAOYSA-N 1 1 326.259 4.157 20 10 EICDMO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2O)c(Cl)c1 ZINC000109773665 1053422650 /nfs/dbraw/zinc/42/26/50/1053422650.db2.gz XQRDOHAMWBYJIS-AWEZNQCLSA-N 1 1 346.858 4.121 20 10 EICDMO COc1ccc(O)c(C[N@@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000775667499 1053459735 /nfs/dbraw/zinc/45/97/35/1053459735.db2.gz JTCWKSFRBAHWHI-UWJYYQICSA-N 1 1 341.451 4.001 20 10 EICDMO Cc1cc(C[NH2+][C@H]2CCCc3c[nH]nc32)c(C)n1-c1cccc(C)c1 ZINC000765279806 1053490843 /nfs/dbraw/zinc/49/08/43/1053490843.db2.gz IRLXSFHESFKBRE-FQEVSTJZSA-N 1 1 334.467 4.293 20 10 EICDMO Cc1cccc(C[N@@H+]2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1O ZINC000775674431 1053499548 /nfs/dbraw/zinc/49/95/48/1053499548.db2.gz AHQGFCNOUQDMNH-KRWDZBQOSA-N 1 1 335.806 4.067 20 10 EICDMO Cc1cccc(C[N@H+]2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1O ZINC000775674431 1053499557 /nfs/dbraw/zinc/49/95/57/1053499557.db2.gz AHQGFCNOUQDMNH-KRWDZBQOSA-N 1 1 335.806 4.067 20 10 EICDMO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC001195862486 1053509953 /nfs/dbraw/zinc/50/99/53/1053509953.db2.gz MCNAKODYHJMAGU-UXHICEINSA-N 1 1 330.516 4.375 20 10 EICDMO CC[C@H](CC(F)F)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000851841918 1053522883 /nfs/dbraw/zinc/52/28/83/1053522883.db2.gz ZUMARYQPOJIVDK-ZBFHGGJFSA-N 1 1 327.415 4.055 20 10 EICDMO COc1ccc(O)c(C[N@@H+]2CCSC[C@H]2c2ccc(Cl)cc2)c1 ZINC000775705253 1053627159 /nfs/dbraw/zinc/62/71/59/1053627159.db2.gz HTUSVZXAGJFOGN-KRWDZBQOSA-N 1 1 349.883 4.344 20 10 EICDMO COc1ccc(O)c(C[N@H+]2CCSC[C@H]2c2ccc(Cl)cc2)c1 ZINC000775705253 1053627164 /nfs/dbraw/zinc/62/71/64/1053627164.db2.gz HTUSVZXAGJFOGN-KRWDZBQOSA-N 1 1 349.883 4.344 20 10 EICDMO COc1cc(C)cc(C[N@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)c1O ZINC000794891597 1053634846 /nfs/dbraw/zinc/63/48/46/1053634846.db2.gz GYAWGLYDQLUEIP-HXUWFJFHSA-N 1 1 329.415 4.012 20 10 EICDMO C[N@H+](Cc1coc(-c2cccc(Cl)c2)n1)Cc1ccccc1O ZINC000111235079 1053667081 /nfs/dbraw/zinc/66/70/81/1053667081.db2.gz VPKIITACPICXPL-UHFFFAOYSA-N 1 1 328.799 4.333 20 10 EICDMO C[N@@H+](Cc1coc(-c2cccc(Cl)c2)n1)Cc1ccccc1O ZINC000111235079 1053667090 /nfs/dbraw/zinc/66/70/90/1053667090.db2.gz VPKIITACPICXPL-UHFFFAOYSA-N 1 1 328.799 4.333 20 10 EICDMO Cc1cc(Cl)cc(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)c1O ZINC000775724410 1053690927 /nfs/dbraw/zinc/69/09/27/1053690927.db2.gz CKXABJRLCJYQKG-WBMJQRKESA-N 1 1 337.872 4.378 20 10 EICDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)c1O ZINC000775724410 1053690936 /nfs/dbraw/zinc/69/09/36/1053690936.db2.gz CKXABJRLCJYQKG-WBMJQRKESA-N 1 1 337.872 4.378 20 10 EICDMO COc1cc(O)c(C[N@H+]2CC[C@@H](C)C[C@H]2c2ccc(C)o2)cc1OC ZINC000775735500 1053715759 /nfs/dbraw/zinc/71/57/59/1053715759.db2.gz QFPVAIQYKAQIFD-CJNGLKHVSA-N 1 1 345.439 4.284 20 10 EICDMO COc1cc(O)c(C[N@H+]2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)cc1OC ZINC000775735501 1053716346 /nfs/dbraw/zinc/71/63/46/1053716346.db2.gz QFPVAIQYKAQIFD-CZUORRHYSA-N 1 1 345.439 4.284 20 10 EICDMO C[C@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1cc(F)cc(F)c1O ZINC000866482233 1053746978 /nfs/dbraw/zinc/74/69/78/1053746978.db2.gz VYNWWAQSIJNVTI-BLLLJJGKSA-N 1 1 325.399 4.060 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1C(C)C ZINC000121762841 1053846040 /nfs/dbraw/zinc/84/60/40/1053846040.db2.gz LUTUGEKKUCHONE-HNAYVOBHSA-N 1 1 327.472 4.104 20 10 EICDMO CCOc1cccc(CNc2ccc([NH+]3CCCCC3)cc2)c1O ZINC000121987293 1053868903 /nfs/dbraw/zinc/86/89/03/1053868903.db2.gz SFHWFMUACHHLTM-UHFFFAOYSA-N 1 1 326.440 4.393 20 10 EICDMO Oc1ccc2ccccc2c1C[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000122184222 1053907462 /nfs/dbraw/zinc/90/74/62/1053907462.db2.gz HKINGIKARFYGQS-LJQANCHMSA-N 1 1 325.433 4.180 20 10 EICDMO C[C@H]([NH2+]Cc1coc(-c2ccc(F)cc2)n1)c1ccc(N(C)C)cc1 ZINC000775830737 1054093939 /nfs/dbraw/zinc/09/39/39/1054093939.db2.gz MYWFZYVEORPQJQ-AWEZNQCLSA-N 1 1 339.414 4.398 20 10 EICDMO C[C@@H]([NH2+]Cc1ncc(-c2cccc(F)c2)o1)c1ccc(N(C)C)cc1 ZINC000775834498 1054109702 /nfs/dbraw/zinc/10/97/02/1054109702.db2.gz TYZDPIRFFYNIIF-CQSZACIVSA-N 1 1 339.414 4.398 20 10 EICDMO CCN(CC)c1ccc(CNC[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001199328706 1054392158 /nfs/dbraw/zinc/39/21/58/1054392158.db2.gz FHRJAPSZOWXEMU-NRFANRHFSA-N 1 1 331.548 4.133 20 10 EICDMO CC[C@](C)([NH2+]Cc1c(O)cccc1Br)c1nccs1 ZINC000858142781 1054423000 /nfs/dbraw/zinc/42/30/00/1054423000.db2.gz MHRZNDJPMKAVFA-AWEZNQCLSA-N 1 1 341.274 4.026 20 10 EICDMO CC[C@](C)([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1nc(C)cs1 ZINC000858145543 1054425317 /nfs/dbraw/zinc/42/53/17/1054425317.db2.gz XVLPHJZJAUHELZ-KRWDZBQOSA-N 1 1 339.455 4.211 20 10 EICDMO Cc1csc([C@@H]2CC[N@@H+](Cc3cc(C(C)(C)C)cc(O)c3O)C2)n1 ZINC000872807303 1054465454 /nfs/dbraw/zinc/46/54/54/1054465454.db2.gz MRVALTDPZJYFGU-CYBMUJFWSA-N 1 1 346.496 4.150 20 10 EICDMO COc1cccc([C@@H](C)[NH2+][C@@H](CCc2ccccc2)C(F)F)c1O ZINC000858491381 1054498202 /nfs/dbraw/zinc/49/82/02/1054498202.db2.gz GMRBQTYXPJLGME-CJNGLKHVSA-N 1 1 335.394 4.318 20 10 EICDMO C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000858490686 1054499513 /nfs/dbraw/zinc/49/95/13/1054499513.db2.gz LVGFHFKAJHLFLV-NEPJUHHUSA-N 1 1 331.287 4.082 20 10 EICDMO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2O)c(OC)c1 ZINC000858501370 1054503289 /nfs/dbraw/zinc/50/32/89/1054503289.db2.gz LYDIIMRRYZJUSP-QWRGUYRKSA-N 1 1 337.366 4.099 20 10 EICDMO CCCOc1ccc(CNc2ccc3c(c2)[nH+]cn3C)cc1OCC ZINC001201115061 1054667201 /nfs/dbraw/zinc/66/72/01/1054667201.db2.gz XNHGLWIWZHYIDV-UHFFFAOYSA-N 1 1 339.439 4.373 20 10 EICDMO CC(C)(CC[NH+]1CCCCCC1)NCc1ccc2c(c1)CCCO2 ZINC001202074214 1055037105 /nfs/dbraw/zinc/03/71/05/1055037105.db2.gz JXUXAELYYCVYEN-UHFFFAOYSA-N 1 1 330.516 4.146 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000877757386 1055115083 /nfs/dbraw/zinc/11/50/83/1055115083.db2.gz WQNPUGTUEIURFN-NSHDSACASA-N 1 1 336.229 4.020 20 10 EICDMO CO[C@H]1C[C@@H](C[N@@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)C1 ZINC000878326267 1055244630 /nfs/dbraw/zinc/24/46/30/1055244630.db2.gz QQIVTVOIZSJJMB-ABSDTBQOSA-N 1 1 325.452 4.380 20 10 EICDMO COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)OC(C)C ZINC000186384434 1055428412 /nfs/dbraw/zinc/42/84/12/1055428412.db2.gz QNZUPYGJMRRZTR-VBKZILBWSA-N 1 1 347.430 4.357 20 10 EICDMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)[C@@H](C)CO1 ZINC000742167419 1058529096 /nfs/dbraw/zinc/52/90/96/1058529096.db2.gz FVSRFMNRVBUXCS-AOMKIAJQSA-N 1 1 337.463 4.151 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)N(CC)C1CCCCC1 ZINC000743869809 1059190765 /nfs/dbraw/zinc/19/07/65/1059190765.db2.gz AUBIASUQPSJPGK-QGZVFWFLSA-N 1 1 346.515 4.174 20 10 EICDMO Oc1ccccc1C[N@@H+](CCc1ccc2c(c1)CCO2)Cc1ccco1 ZINC000744398404 1059452102 /nfs/dbraw/zinc/45/21/02/1059452102.db2.gz QMZMNSBRRAKERY-UHFFFAOYSA-N 1 1 349.430 4.165 20 10 EICDMO C[C@H]([NH2+]CC[C@H](C)N(C)Cc1ccccc1)c1cc(F)ccc1O ZINC000379643759 1059708433 /nfs/dbraw/zinc/70/84/33/1059708433.db2.gz GBOBYXFWNHERPV-HOTGVXAUSA-N 1 1 330.447 4.093 20 10 EICDMO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(N2CCCCC2)cc1 ZINC000766476383 1060383914 /nfs/dbraw/zinc/38/39/14/1060383914.db2.gz XVZJYNVSAGCNCE-CUWPLCDZSA-N 1 1 329.532 4.200 20 10 EICDMO CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000367490462 522756922 /nfs/dbraw/zinc/75/69/22/522756922.db2.gz OPWBUPHLMFLMAJ-XEZPLFJOSA-N 1 1 343.298 4.367 20 10 EICDMO COc1ccc(C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)cc1C ZINC000274610020 1018833054 /nfs/dbraw/zinc/83/30/54/1018833054.db2.gz NGUVBLURHUNVQN-JTQLQIEISA-N 1 1 330.375 4.330 20 10 EICDMO CC[C@@H]([NH2+][C@H](c1nccn1C)c1cccc(F)c1)c1ccccc1O ZINC000155045099 1020201069 /nfs/dbraw/zinc/20/10/69/1020201069.db2.gz JWKSVAVRYIXTKE-MJGOQNOKSA-N 1 1 339.414 4.095 20 10 EICDMO C[C@@H](c1ccc(Br)cc1)[N@@H+](C)Cc1cc(F)ccc1O ZINC001140055992 1020419952 /nfs/dbraw/zinc/41/99/52/1020419952.db2.gz CVHYOFSTYSTZPE-NSHDSACASA-N 1 1 338.220 4.487 20 10 EICDMO COc1cc(C[N@H+](C)C2CCC(OC)CC2)c(O)c(C(C)(C)C)c1 ZINC000754726586 1023484041 /nfs/dbraw/zinc/48/40/41/1023484041.db2.gz SVTNGYBCJALWRL-UHFFFAOYSA-N 1 1 335.488 4.088 20 10 EICDMO CC[C@H](c1ccccc1O)[N@@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000377614812 1023633187 /nfs/dbraw/zinc/63/31/87/1023633187.db2.gz JUPFFAYMOVGUDX-MOPGFXCFSA-N 1 1 349.434 4.334 20 10 EICDMO CC[C@H](c1ccccc1O)[N@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000377614812 1023633194 /nfs/dbraw/zinc/63/31/94/1023633194.db2.gz JUPFFAYMOVGUDX-MOPGFXCFSA-N 1 1 349.434 4.334 20 10 EICDMO C[C@H]([NH2+]Cc1nccn1CCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000164263303 1024071166 /nfs/dbraw/zinc/07/11/66/1024071166.db2.gz BIXYNWANOKQHJN-SFHVURJKSA-N 1 1 348.494 4.043 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1C ZINC000091891005 1024690179 /nfs/dbraw/zinc/69/01/79/1024690179.db2.gz KCNSYWBSGLETJX-AEFFLSMTSA-N 1 1 331.481 4.159 20 10 EICDMO CCOC(CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O)OCC ZINC000278863300 1025052122 /nfs/dbraw/zinc/05/21/22/1025052122.db2.gz WMXUNIKIJFVLMK-SNVBAGLBSA-N 1 1 336.259 4.139 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cc1 ZINC001167646577 1027828588 /nfs/dbraw/zinc/82/85/88/1027828588.db2.gz FILFNAZGDGJDLP-SFHVURJKSA-N 1 1 346.515 4.087 20 10 EICDMO CCCN1CCC([NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000161644721 1028496193 /nfs/dbraw/zinc/49/61/93/1028496193.db2.gz ZSDJIOBIDJTUIB-SFHVURJKSA-N 1 1 329.532 4.202 20 10 EICDMO C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cc(Cl)c(Cl)cc1O ZINC000278240310 1028661077 /nfs/dbraw/zinc/66/10/77/1028661077.db2.gz LFBNPYNHVPPADJ-XPTSAGLGSA-N 1 1 340.254 4.161 20 10 EICDMO C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1cn(-c2ccccc2)nn1 ZINC000186112690 1030247618 /nfs/dbraw/zinc/24/76/18/1030247618.db2.gz DDEOGOBMXACRMW-STQMWFEESA-N 1 1 342.830 4.038 20 10 EICDMO CC[C@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccc(F)cc1O ZINC000375836992 1031331318 /nfs/dbraw/zinc/33/13/18/1031331318.db2.gz FJYWXLZLLUYBDJ-HNNXBMFYSA-N 1 1 343.427 4.291 20 10 EICDMO CC[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccccc1)c1ccc(F)cc1O ZINC000375894732 1031449280 /nfs/dbraw/zinc/44/92/80/1031449280.db2.gz GIGKBOCRSAWERB-AZUAARDMSA-N 1 1 339.414 4.095 20 10 EICDMO CC[C@H]([NH2+][C@H]1CCOc2cc(OC)ccc21)c1ccc(F)cc1O ZINC000375896907 1031462177 /nfs/dbraw/zinc/46/21/77/1031462177.db2.gz BHJVMYPGPZDFBQ-IRXDYDNUSA-N 1 1 331.387 4.104 20 10 EICDMO CN(C)c1ccc(C[NH2+]C(C)(C)c2nccs2)c(C(F)(F)F)c1 ZINC000280747032 1035331745 /nfs/dbraw/zinc/33/17/45/1035331745.db2.gz CKMLHQZHPWPQTF-UHFFFAOYSA-N 1 1 343.418 4.253 20 10 EICDMO COc1c(F)cc(F)cc1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001143557283 1035830129 /nfs/dbraw/zinc/83/01/29/1035830129.db2.gz ABEGXQUIKIUTNQ-UHFFFAOYSA-N 1 1 346.421 4.206 20 10 EICDMO COc1c(F)cc(F)cc1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001143557283 1035830138 /nfs/dbraw/zinc/83/01/38/1035830138.db2.gz ABEGXQUIKIUTNQ-UHFFFAOYSA-N 1 1 346.421 4.206 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CCS[C@H](c3ccccc3)C2)c1O ZINC000761203381 1036040050 /nfs/dbraw/zinc/04/00/50/1036040050.db2.gz QWGBWIOAEHMYHZ-KRWDZBQOSA-N 1 1 349.883 4.344 20 10 EICDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc(OC)c2O)C1 ZINC000761207057 1036052682 /nfs/dbraw/zinc/05/26/82/1036052682.db2.gz XIUFBHNRKACHFN-UONOGXRCSA-N 1 1 329.893 4.160 20 10 EICDMO Cc1cc(CNC2CC[NH+](C(C)C)CC2)c(C)n1-c1ccccc1 ZINC000323896039 1036845146 /nfs/dbraw/zinc/84/51/46/1036845146.db2.gz OPJGUGPVMBIKMZ-UHFFFAOYSA-N 1 1 325.500 4.057 20 10 EICDMO C[C@@H]([NH2+]Cc1c(F)cccc1OC(F)F)c1ccc(F)cc1O ZINC000273351751 1037430202 /nfs/dbraw/zinc/43/02/02/1037430202.db2.gz BVTCCMQJUQASFB-SECBINFHSA-N 1 1 329.293 4.123 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)c1nc(-c2cccs2)no1 ZINC000174374561 1038922361 /nfs/dbraw/zinc/92/23/61/1038922361.db2.gz XZRLZMPJYGTLEA-CYBMUJFWSA-N 1 1 343.452 4.477 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1c[nH]nc1-c1cccnc1)C1CCCC1 ZINC000093319315 1039658905 /nfs/dbraw/zinc/65/89/05/1039658905.db2.gz ALMALTBNBHUMDX-UHFFFAOYSA-N 1 1 348.450 4.122 20 10 EICDMO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000152451022 1042828072 /nfs/dbraw/zinc/82/80/72/1042828072.db2.gz SHKOLCABGPLIMF-RBUKOAKNSA-N 1 1 341.543 4.202 20 10 EICDMO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000152451114 1042828178 /nfs/dbraw/zinc/82/81/78/1042828178.db2.gz SHKOLCABGPLIMF-RTBURBONSA-N 1 1 341.543 4.202 20 10 EICDMO CCC[N@@H+](Cc1ccn(-c2cccc(F)c2)n1)Cc1ccccc1O ZINC000727830636 1043312681 /nfs/dbraw/zinc/31/26/81/1043312681.db2.gz FDFFQUMTFUFZNY-UHFFFAOYSA-N 1 1 339.414 4.129 20 10 EICDMO C[C@@H](NC(C)(C)C[NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000733900980 1043856064 /nfs/dbraw/zinc/85/60/64/1043856064.db2.gz UTHUADFGXSTAIR-CQSZACIVSA-N 1 1 332.875 4.265 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cc3ccccc3[nH]c2=O)cc1 ZINC000732408661 1043921544 /nfs/dbraw/zinc/92/15/44/1043921544.db2.gz XHQFHFNYRPYXRA-UHFFFAOYSA-N 1 1 349.478 4.419 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H](n3ccnc3)C1)oc1ccccc12 ZINC000738147638 1045041246 /nfs/dbraw/zinc/04/12/46/1045041246.db2.gz FGVGDADWQZLRRG-INIZCTEOSA-N 1 1 347.418 4.325 20 10 EICDMO Cc1cc(O)c(CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C(C)C ZINC000738268977 1045048520 /nfs/dbraw/zinc/04/85/20/1045048520.db2.gz FOCUFPTVPRHVTB-LJQANCHMSA-N 1 1 330.516 4.274 20 10 EICDMO C[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1cccc(C(F)(F)F)c1O ZINC000798183258 1045706156 /nfs/dbraw/zinc/70/61/56/1045706156.db2.gz MPFBPNWFZBQQSX-BONVTDFDSA-N 1 1 345.386 4.031 20 10 EICDMO COc1cccc(C[N@@H+](C)Cc2ccc(Cl)cc2Cl)c1O ZINC000768168836 1045733118 /nfs/dbraw/zinc/73/31/18/1045733118.db2.gz OOWFHIUMRDAMAP-UHFFFAOYSA-N 1 1 326.223 4.340 20 10 EICDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2cc(C)ccc2O)c1 ZINC000768199146 1045739839 /nfs/dbraw/zinc/73/98/39/1045739839.db2.gz BZCYQMGYQDVKEX-GOSISDBHSA-N 1 1 327.424 4.055 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccc(O)c(OC)c2)cc1F ZINC000768240330 1045750833 /nfs/dbraw/zinc/75/08/33/1045750833.db2.gz TUTLFMQNOSAJHF-UHFFFAOYSA-N 1 1 346.446 4.018 20 10 EICDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(N(C)C)cc2)cc1OC ZINC000768227782 1045757600 /nfs/dbraw/zinc/75/76/00/1045757600.db2.gz IUTLAQZATDQKPW-LJQANCHMSA-N 1 1 340.467 4.107 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)cc1C ZINC000768234358 1045759488 /nfs/dbraw/zinc/75/94/88/1045759488.db2.gz GOBXAMHNARDDIQ-UHFFFAOYSA-N 1 1 333.435 4.175 20 10 EICDMO CCOc1ccc(O)c(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000768258190 1045768713 /nfs/dbraw/zinc/76/87/13/1045768713.db2.gz SSCIAGVLIMLQBB-UHFFFAOYSA-N 1 1 340.467 4.022 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)CC(F)(F)F)c1cc(Br)c(F)cc1O ZINC000768270944 1045773345 /nfs/dbraw/zinc/77/33/45/1045773345.db2.gz GPDRNTHAVQPLHF-NKWVEPMBSA-N 1 1 344.146 4.285 20 10 EICDMO CCOc1ccc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c(O)c1 ZINC000768372673 1045800484 /nfs/dbraw/zinc/80/04/84/1045800484.db2.gz CAFDFWDORWBBGR-IBGZPJMESA-N 1 1 347.842 4.018 20 10 EICDMO CCOc1ccc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c(O)c1 ZINC000768372673 1045800490 /nfs/dbraw/zinc/80/04/90/1045800490.db2.gz CAFDFWDORWBBGR-IBGZPJMESA-N 1 1 347.842 4.018 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1CCC1CCCCC1)[C@H](O)CO2 ZINC000768463724 1045810808 /nfs/dbraw/zinc/81/08/08/1045810808.db2.gz WAZMELVIQHVVOK-FXAWDEMLSA-N 1 1 345.483 4.143 20 10 EICDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000768939905 1045863251 /nfs/dbraw/zinc/86/32/51/1045863251.db2.gz FKVJYSXZTYSHBU-LJQANCHMSA-N 1 1 347.462 4.172 20 10 EICDMO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792179668 1045874218 /nfs/dbraw/zinc/87/42/18/1045874218.db2.gz JUWMKUUYRYVMPG-NSHDSACASA-N 1 1 325.733 4.348 20 10 EICDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792179668 1045874223 /nfs/dbraw/zinc/87/42/23/1045874223.db2.gz JUWMKUUYRYVMPG-NSHDSACASA-N 1 1 325.733 4.348 20 10 EICDMO CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c(O)c1 ZINC000792186649 1045876315 /nfs/dbraw/zinc/87/63/15/1045876315.db2.gz GGXYDLNUZQEBFS-HNNXBMFYSA-N 1 1 331.378 4.201 20 10 EICDMO C[C@@H](c1ccco1)[N@@H+](Cc1cc(Br)ccc1O)C1CC1 ZINC000769102544 1045879281 /nfs/dbraw/zinc/87/92/81/1045879281.db2.gz PFVGCQCXXBVUFQ-NSHDSACASA-N 1 1 336.229 4.473 20 10 EICDMO CC[N@@H+](Cc1cc(Br)cc(OC)c1O)[C@H](C)C(C)C ZINC000769153864 1045885221 /nfs/dbraw/zinc/88/52/21/1045885221.db2.gz QRLYOOYAJKBELC-LLVKDONJSA-N 1 1 330.266 4.030 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000769148010 1045885865 /nfs/dbraw/zinc/88/58/65/1045885865.db2.gz VHPDSYRIWBWCJW-GOSISDBHSA-N 1 1 330.497 4.168 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000769148010 1045885859 /nfs/dbraw/zinc/88/58/59/1045885859.db2.gz VHPDSYRIWBWCJW-GOSISDBHSA-N 1 1 330.497 4.168 20 10 EICDMO CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1C ZINC000769470640 1045986553 /nfs/dbraw/zinc/98/65/53/1045986553.db2.gz MPHUSXWRLFSMHJ-RISCZKNCSA-N 1 1 331.287 4.004 20 10 EICDMO CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1C ZINC000769470640 1045986546 /nfs/dbraw/zinc/98/65/46/1045986546.db2.gz MPHUSXWRLFSMHJ-RISCZKNCSA-N 1 1 331.287 4.004 20 10 EICDMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1C ZINC000769470640 1045986562 /nfs/dbraw/zinc/98/65/62/1045986562.db2.gz MPHUSXWRLFSMHJ-RISCZKNCSA-N 1 1 331.287 4.004 20 10 EICDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)C1c2ccccc2-c2ccccc21 ZINC000769498023 1045995538 /nfs/dbraw/zinc/99/55/38/1045995538.db2.gz JPGLUXVPHWFVAN-UHFFFAOYSA-N 1 1 345.398 4.323 20 10 EICDMO Oc1c(Br)cccc1C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000769499863 1045995964 /nfs/dbraw/zinc/99/59/64/1045995964.db2.gz WZLCDKXDSSWZJR-KBPBESRZSA-N 1 1 342.302 4.015 20 10 EICDMO Oc1c(Br)cccc1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000769499863 1045995952 /nfs/dbraw/zinc/99/59/52/1045995952.db2.gz WZLCDKXDSSWZJR-KBPBESRZSA-N 1 1 342.302 4.015 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000769514974 1046005888 /nfs/dbraw/zinc/00/58/88/1046005888.db2.gz PYBJXIIBYBUPOD-IBGZPJMESA-N 1 1 330.497 4.168 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000769514974 1046005898 /nfs/dbraw/zinc/00/58/98/1046005898.db2.gz PYBJXIIBYBUPOD-IBGZPJMESA-N 1 1 330.497 4.168 20 10 EICDMO Cc1ncsc1C[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792806263 1046070353 /nfs/dbraw/zinc/07/03/53/1046070353.db2.gz RNNDXMBPVQBLDT-UHFFFAOYSA-N 1 1 343.418 4.168 20 10 EICDMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793063144 1046133245 /nfs/dbraw/zinc/13/32/45/1046133245.db2.gz XVRZAVDEXFFIOX-ZDUSSCGKSA-N 1 1 337.389 4.359 20 10 EICDMO C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793075412 1046135057 /nfs/dbraw/zinc/13/50/57/1046135057.db2.gz COHCDSWHPJDVOP-CYBMUJFWSA-N 1 1 337.389 4.359 20 10 EICDMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793075387 1046135160 /nfs/dbraw/zinc/13/51/60/1046135160.db2.gz BTWIJIYXRMYBGZ-ZDUSSCGKSA-N 1 1 337.389 4.359 20 10 EICDMO C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@H]1n1ccnc1 ZINC000770323857 1046180157 /nfs/dbraw/zinc/18/01/57/1046180157.db2.gz KUKLHUKFOCRINL-LAUBAEHRSA-N 1 1 347.462 4.339 20 10 EICDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000793232310 1046180177 /nfs/dbraw/zinc/18/01/77/1046180177.db2.gz VKVDNABUTOFPLE-YOEHRIQHSA-N 1 1 326.406 4.450 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1C ZINC000770324517 1046180631 /nfs/dbraw/zinc/18/06/31/1046180631.db2.gz GYJUEJWTWSVDRU-TZIWHRDSSA-N 1 1 343.442 4.236 20 10 EICDMO Cc1ccncc1C[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793342299 1046201666 /nfs/dbraw/zinc/20/16/66/1046201666.db2.gz XKIBLDCVOOBAPS-UHFFFAOYSA-N 1 1 337.389 4.107 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000770667662 1046245579 /nfs/dbraw/zinc/24/55/79/1046245579.db2.gz SYKFREFUZKBZSK-QFIPXVFZSA-N 1 1 336.479 4.164 20 10 EICDMO CCCC[N@@H+](Cc1cnc(C(C)(C)C)nc1)Cc1ccccc1O ZINC000793591144 1046301150 /nfs/dbraw/zinc/30/11/50/1046301150.db2.gz FVZYEDLCSUVMEA-UHFFFAOYSA-N 1 1 327.472 4.282 20 10 EICDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)c1 ZINC000793571485 1046306877 /nfs/dbraw/zinc/30/68/77/1046306877.db2.gz RBAYFELJNFJTDR-IBGZPJMESA-N 1 1 340.467 4.373 20 10 EICDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)c1 ZINC000793571485 1046306893 /nfs/dbraw/zinc/30/68/93/1046306893.db2.gz RBAYFELJNFJTDR-IBGZPJMESA-N 1 1 340.467 4.373 20 10 EICDMO CC1(C)C[N@@H+](Cc2c(O)ccc3ccccc32)C[C@@H](C(F)(F)F)O1 ZINC000793707717 1046327889 /nfs/dbraw/zinc/32/78/89/1046327889.db2.gz VZBLGMFVMWAEDF-INIZCTEOSA-N 1 1 339.357 4.087 20 10 EICDMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)c(O)c1 ZINC000771933511 1046525681 /nfs/dbraw/zinc/52/56/81/1046525681.db2.gz KRRONWHJHAUWKA-IBGZPJMESA-N 1 1 327.424 4.137 20 10 EICDMO COc1ccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)cc1F ZINC000917074146 1046633881 /nfs/dbraw/zinc/63/38/81/1046633881.db2.gz QXLYFAXKOIADEN-UHFFFAOYSA-N 1 1 328.431 4.065 20 10 EICDMO Oc1ccc2oc3c(c2c1C[N@H+]1CCO[C@H]2CCCC[C@H]21)CCCC3 ZINC000917472973 1046898411 /nfs/dbraw/zinc/89/84/11/1046898411.db2.gz LNUHRHQDCYPHCH-APWZRJJASA-N 1 1 341.451 4.161 20 10 EICDMO CCOc1ccc(C[N@@H+](C)[C@@H](COC)c2ccc(Cl)cc2)c(O)c1 ZINC000787331465 1046980083 /nfs/dbraw/zinc/98/00/83/1046980083.db2.gz JZBLVGKDILOWBC-SFHVURJKSA-N 1 1 349.858 4.264 20 10 EICDMO CCOc1ccc(O)c(C[N@@H+](C)[C@@H](COC)c2ccc(Cl)cc2)c1 ZINC000787333635 1046981520 /nfs/dbraw/zinc/98/15/20/1046981520.db2.gz WYKCKRDJXYRNRS-SFHVURJKSA-N 1 1 349.858 4.264 20 10 EICDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000746716174 1047073117 /nfs/dbraw/zinc/07/31/17/1047073117.db2.gz NCAVKDMQDIXSIB-MRXNPFEDSA-N 1 1 325.452 4.385 20 10 EICDMO CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000788593641 1047240738 /nfs/dbraw/zinc/24/07/38/1047240738.db2.gz HEVWHMDXGMMTQI-ZIAGYGMSSA-N 1 1 344.421 4.182 20 10 EICDMO CCC1(O)CCC([NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000788652564 1047256977 /nfs/dbraw/zinc/25/69/77/1047256977.db2.gz RHOCRGMXMSMBEA-OPGSHWCFSA-N 1 1 331.378 4.145 20 10 EICDMO C[C@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)c1nccs1 ZINC000788735451 1047297441 /nfs/dbraw/zinc/29/74/41/1047297441.db2.gz AYDSZYXUNBCDAI-ZJUUUORDSA-N 1 1 330.375 4.322 20 10 EICDMO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC000788796737 1047304313 /nfs/dbraw/zinc/30/43/13/1047304313.db2.gz IBGDKFRDFORILG-UYAOXDASSA-N 1 1 338.495 4.182 20 10 EICDMO C[N@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C[C@H]1CCCCO1 ZINC000918732337 1047624820 /nfs/dbraw/zinc/62/48/20/1047624820.db2.gz OBHNULYSGPCUCW-CQSZACIVSA-N 1 1 329.440 4.018 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000814178476 1047868687 /nfs/dbraw/zinc/86/86/87/1047868687.db2.gz QWYQHKIONYIQSD-OAQYLSRUSA-N 1 1 337.463 4.308 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)c1O ZINC000824714670 1047908445 /nfs/dbraw/zinc/90/84/45/1047908445.db2.gz DUOKIRRTYZIWHC-MWLCHTKSSA-N 1 1 337.769 4.217 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)c1O ZINC000824714665 1047910122 /nfs/dbraw/zinc/91/01/22/1047910122.db2.gz DUOKIRRTYZIWHC-GXSJLCMTSA-N 1 1 337.769 4.217 20 10 EICDMO CCc1nc(C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)co1 ZINC000825062533 1048028430 /nfs/dbraw/zinc/02/84/30/1048028430.db2.gz ZTSPBGNGCRBVPM-UHFFFAOYSA-N 1 1 347.462 4.090 20 10 EICDMO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CO)c2c(F)cccc2F)c1O ZINC000808707565 1048054427 /nfs/dbraw/zinc/05/44/27/1048054427.db2.gz SKPHESCZJASMOT-BMIGLBTASA-N 1 1 341.785 4.016 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000825196292 1048055258 /nfs/dbraw/zinc/05/52/58/1048055258.db2.gz CHLICUIQPQWBDC-UHFFFAOYSA-N 1 1 349.833 4.066 20 10 EICDMO C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1cc(Cl)c(Cl)cc1O ZINC000808721928 1048070051 /nfs/dbraw/zinc/07/00/51/1048070051.db2.gz VRLUNZNCZYSFCT-DINDLPBHSA-N 1 1 340.250 4.472 20 10 EICDMO Cc1cc(O)c(C[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)cc1Cl ZINC000825425742 1048090776 /nfs/dbraw/zinc/09/07/76/1048090776.db2.gz JDKXIAOTWCHCQY-HNNXBMFYSA-N 1 1 335.835 4.101 20 10 EICDMO COc1cc(C[N@@H+](C)[C@H](C)c2ccncc2)c(O)c(C(C)(C)C)c1 ZINC000825501932 1048103952 /nfs/dbraw/zinc/10/39/52/1048103952.db2.gz SPXWLPFYOHWVHR-CQSZACIVSA-N 1 1 328.456 4.286 20 10 EICDMO Cc1cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)ccc1N(C)C ZINC000815061000 1048314823 /nfs/dbraw/zinc/31/48/23/1048314823.db2.gz XNPYADFBPWPQPM-PKOBYXMFSA-N 1 1 344.524 4.211 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1 ZINC000815114880 1048330980 /nfs/dbraw/zinc/33/09/80/1048330980.db2.gz VKIRCAIZVRZNGK-CVEARBPZSA-N 1 1 327.299 4.158 20 10 EICDMO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(N(C)C)c(C)c2)o1 ZINC000815094394 1048342654 /nfs/dbraw/zinc/34/26/54/1048342654.db2.gz KQUGVWLILWYUOU-IBGZPJMESA-N 1 1 328.456 4.138 20 10 EICDMO COc1cc(C[N@@H+](C)Cc2c(O)ccc3ccccc32)cc(OC)c1 ZINC000919957508 1048342755 /nfs/dbraw/zinc/34/27/55/1048342755.db2.gz RTLNCIYAYPYVSP-UHFFFAOYSA-N 1 1 337.419 4.195 20 10 EICDMO CCN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2c2nccn2CC)cc1 ZINC000815105183 1048346620 /nfs/dbraw/zinc/34/66/20/1048346620.db2.gz GXNOAJIMUPKTEB-LJQANCHMSA-N 1 1 326.488 4.086 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@@H]2c2nccn2CC)cc1 ZINC000815105183 1048346639 /nfs/dbraw/zinc/34/66/39/1048346639.db2.gz GXNOAJIMUPKTEB-LJQANCHMSA-N 1 1 326.488 4.086 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1 ZINC000815106267 1048350493 /nfs/dbraw/zinc/35/04/93/1048350493.db2.gz RMDLKFWGYOBVRN-NJYVYQBISA-N 1 1 330.516 4.048 20 10 EICDMO COCC1=CC[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000809642197 1048451182 /nfs/dbraw/zinc/45/11/82/1048451182.db2.gz DLWPTVZSBQDPIA-UHFFFAOYSA-N 1 1 348.490 4.028 20 10 EICDMO Cc1cccc(C[N@@H+](CCc2ccccc2)Cc2ccncc2)c1O ZINC000809736698 1048485389 /nfs/dbraw/zinc/48/53/89/1048485389.db2.gz GNZDFKKMHDUUPH-UHFFFAOYSA-N 1 1 332.447 4.341 20 10 EICDMO COc1cc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000844745273 1048485900 /nfs/dbraw/zinc/48/59/00/1048485900.db2.gz AJTBEYHHBPMKTQ-SFHVURJKSA-N 1 1 339.426 4.320 20 10 EICDMO CC[N@@H+](Cc1cccc(-c2ccncc2)c1)Cc1c(O)cccc1OC ZINC000809747445 1048515901 /nfs/dbraw/zinc/51/59/01/1048515901.db2.gz AUDKABDYAPJHFP-UHFFFAOYSA-N 1 1 348.446 4.485 20 10 EICDMO C[C@@H]([NH2+]CC1(O)CCCCCC1)c1cccc(C(F)(F)F)c1O ZINC000815581962 1048521409 /nfs/dbraw/zinc/52/14/09/1048521409.db2.gz UIUFFTDGQGJHKS-GFCCVEGCSA-N 1 1 331.378 4.147 20 10 EICDMO C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)c1cccc(C(F)(F)F)c1O ZINC000815585332 1048522716 /nfs/dbraw/zinc/52/27/16/1048522716.db2.gz DVKZQPOORLKATP-PEYYIBSZSA-N 1 1 331.378 4.003 20 10 EICDMO CC[N@H+](Cc1cc(C)cc(Br)c1O)[C@H](C)c1cccnc1 ZINC000809764374 1048523571 /nfs/dbraw/zinc/52/35/71/1048523571.db2.gz FCDMYIDXNGSTEB-CYBMUJFWSA-N 1 1 349.272 4.441 20 10 EICDMO CC[N@@H+](Cc1cc(C)cc(Br)c1O)[C@H](C)c1cccnc1 ZINC000809764374 1048523585 /nfs/dbraw/zinc/52/35/85/1048523585.db2.gz FCDMYIDXNGSTEB-CYBMUJFWSA-N 1 1 349.272 4.441 20 10 EICDMO Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815585519 1048524139 /nfs/dbraw/zinc/52/41/39/1048524139.db2.gz JYSKPLGQRXCFNU-BLLLJJGKSA-N 1 1 339.357 4.104 20 10 EICDMO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815576450 1048538199 /nfs/dbraw/zinc/53/81/99/1048538199.db2.gz QPPLHJYUIRUAAO-NEPJUHHUSA-N 1 1 339.357 4.398 20 10 EICDMO COCC1(CC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CCC1 ZINC000815641891 1048567178 /nfs/dbraw/zinc/56/71/78/1048567178.db2.gz LDOLPHBTXFHHAJ-LBPRGKRZSA-N 1 1 331.378 4.268 20 10 EICDMO CCOC1(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)CCCC1 ZINC000815644551 1048567265 /nfs/dbraw/zinc/56/72/65/1048567265.db2.gz FSFOAJVDNCDBCW-GFCCVEGCSA-N 1 1 331.378 4.411 20 10 EICDMO CC[C@H]([NH2+][C@@H](C)Cc1cc(C)[nH]n1)c1ccc(C(F)(F)F)cc1O ZINC000810227772 1048695845 /nfs/dbraw/zinc/69/58/45/1048695845.db2.gz JBFVQMRVQIDGMG-BONVTDFDSA-N 1 1 341.377 4.114 20 10 EICDMO CC[C@@H]([NH2+][C@@H](C)Cc1cc(C)[nH]n1)c1ccc(C(F)(F)F)cc1O ZINC000810227774 1048696424 /nfs/dbraw/zinc/69/64/24/1048696424.db2.gz JBFVQMRVQIDGMG-ZUZCIYMTSA-N 1 1 341.377 4.114 20 10 EICDMO CCN(CC)c1ccc(C[NH2+][C@@H](c2ccccc2F)[C@H](C)O)cc1F ZINC000846016927 1048786909 /nfs/dbraw/zinc/78/69/09/1048786909.db2.gz KMVMZJUJQBUYDP-VBKZILBWSA-N 1 1 348.437 4.023 20 10 EICDMO C[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000920811437 1048790579 /nfs/dbraw/zinc/79/05/79/1048790579.db2.gz IEHDFZLUVSZEIK-SFHVURJKSA-N 1 1 337.427 4.318 20 10 EICDMO Oc1c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)ccc2ccccc21 ZINC000816520375 1048820116 /nfs/dbraw/zinc/82/01/16/1048820116.db2.gz NSDCZPNYXUPWNL-HKUYNNGSSA-N 1 1 337.419 4.227 20 10 EICDMO Oc1c(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)ccc2ccccc21 ZINC000816502072 1048821893 /nfs/dbraw/zinc/82/18/93/1048821893.db2.gz MQRKUYZMPUUMMX-HXUWFJFHSA-N 1 1 337.394 4.258 20 10 EICDMO CC(C)[N@@H+](CCc1nccs1)Cc1ccc2ccccc2c1O ZINC000816516507 1048824672 /nfs/dbraw/zinc/82/46/72/1048824672.db2.gz HRNVCSRZPATROF-UHFFFAOYSA-N 1 1 326.465 4.455 20 10 EICDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc2ccccc2c1O ZINC000816516011 1048824807 /nfs/dbraw/zinc/82/48/07/1048824807.db2.gz SCCVUTAJUPMCPK-HXUWFJFHSA-N 1 1 335.447 4.319 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccccc1C(F)(F)F ZINC000816543556 1048827445 /nfs/dbraw/zinc/82/74/45/1048827445.db2.gz FRJBAYFNNSHMCI-UHFFFAOYSA-N 1 1 333.712 4.493 20 10 EICDMO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccc(-n2cccn2)cc1 ZINC000816554132 1048833622 /nfs/dbraw/zinc/83/36/22/1048833622.db2.gz PKTNCPYXGIMLAM-LBPRGKRZSA-N 1 1 345.805 4.221 20 10 EICDMO CC(C)(C)Oc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cn1 ZINC000816564761 1048837059 /nfs/dbraw/zinc/83/70/59/1048837059.db2.gz PEZAFXUSOVMJSW-UHFFFAOYSA-N 1 1 338.810 4.047 20 10 EICDMO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H]1OCCc2sccc21 ZINC000816616854 1048845472 /nfs/dbraw/zinc/84/54/72/1048845472.db2.gz HUBFRNSUDZDEMP-XXFAHNHDSA-N 1 1 341.835 4.038 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)c1O ZINC000817412132 1048962581 /nfs/dbraw/zinc/96/25/81/1048962581.db2.gz DKJYTATVBKJWLX-JTQLQIEISA-N 1 1 337.769 4.219 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1cc(Br)ccc1[O-] ZINC000817963792 1049068252 /nfs/dbraw/zinc/06/82/52/1049068252.db2.gz VBFLNWYQQPGFPL-NWDGAFQWSA-N 1 1 349.272 4.025 20 10 EICDMO COc1cc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c(O)c(C(C)(C)C)c1 ZINC000811781162 1049263327 /nfs/dbraw/zinc/26/33/27/1049263327.db2.gz ZFQIASWOEGPDNC-HKUYNNGSSA-N 1 1 347.499 4.088 20 10 EICDMO COc1cc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000811781238 1049263885 /nfs/dbraw/zinc/26/38/85/1049263885.db2.gz WHNICVSTESEVCF-LBPRGKRZSA-N 1 1 327.415 4.175 20 10 EICDMO Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000747831758 1049658831 /nfs/dbraw/zinc/65/88/31/1049658831.db2.gz SHNYJGVTHRTCHH-IRXDYDNUSA-N 1 1 331.500 4.247 20 10 EICDMO Oc1c(F)cc(Br)cc1C[NH2+][C@H]1CCCc2occc21 ZINC000715771245 1049659471 /nfs/dbraw/zinc/65/94/71/1049659471.db2.gz UODQJBJEUCFAOT-ZDUSSCGKSA-N 1 1 340.192 4.054 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CCC[C@]2(C)Cc2cccc(F)c2)cc1 ZINC001171426458 1049667691 /nfs/dbraw/zinc/66/76/91/1049667691.db2.gz MJGJCHQIOUWLEC-OAQYLSRUSA-N 1 1 326.459 4.489 20 10 EICDMO CN(C)c1ccc(/C=C/C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cc1 ZINC000822529786 1049769200 /nfs/dbraw/zinc/76/92/00/1049769200.db2.gz JGNHKDVSERMQPB-GUWAZMKPSA-N 1 1 340.511 4.047 20 10 EICDMO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCc2cccc(O)c2C1 ZINC001171966098 1049826807 /nfs/dbraw/zinc/82/68/07/1049826807.db2.gz NVMUZMRHGLAFDV-ZDUSSCGKSA-N 1 1 335.369 4.400 20 10 EICDMO Oc1ccc2ccccc2c1C[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000216679762 1049828695 /nfs/dbraw/zinc/82/86/95/1049828695.db2.gz HNHFXQAYOQHLPM-OAQYLSRUSA-N 1 1 337.394 4.258 20 10 EICDMO Cc1cccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C(C)(C)C2)c1O ZINC001171976516 1049837572 /nfs/dbraw/zinc/83/75/72/1049837572.db2.gz SHAFZBIGHPOAMN-FQEVSTJZSA-N 1 1 338.495 4.233 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCCCC[C@@H]2c2ccco2)cc1OC ZINC000180271895 1049870701 /nfs/dbraw/zinc/87/07/01/1049870701.db2.gz NZVXXCXKHIAXQP-OAHLLOKOSA-N 1 1 331.412 4.120 20 10 EICDMO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+](C)Cc1ccccc1O ZINC001173084449 1050296924 /nfs/dbraw/zinc/29/69/24/1050296924.db2.gz BPXZQPBCJNWUIJ-ZDUSSCGKSA-N 1 1 339.357 4.354 20 10 EICDMO Oc1ccc(Br)cc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC001203645728 1050416303 /nfs/dbraw/zinc/41/63/03/1050416303.db2.gz NWCRDXFOFRJFIU-UHFFFAOYSA-N 1 1 332.241 4.319 20 10 EICDMO CCN(C)c1ccc(C[N@@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000773756266 1050504837 /nfs/dbraw/zinc/50/48/37/1050504837.db2.gz VFEYFBXBPMHGHT-VOIUYBSRSA-N 1 1 344.524 4.073 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCc3ccccc3C2)c1 ZINC001179844775 1050792871 /nfs/dbraw/zinc/79/28/71/1050792871.db2.gz BVDRMPCEJNKJRJ-UHFFFAOYSA-N 1 1 332.241 4.021 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+]2CCc3ccccc3C2)c1 ZINC001179844775 1050792889 /nfs/dbraw/zinc/79/28/89/1050792889.db2.gz BVDRMPCEJNKJRJ-UHFFFAOYSA-N 1 1 332.241 4.021 20 10 EICDMO C[C@@H]([NH2+]Cc1ccsc1Br)c1ccc(F)cc1O ZINC000388547734 1050859397 /nfs/dbraw/zinc/85/93/97/1050859397.db2.gz JJWDMXPOWWPJFF-MRVPVSSYSA-N 1 1 330.222 4.206 20 10 EICDMO CCC[N@@H+](Cc1ccnn1CCc1ccccc1)Cc1ccccc1O ZINC001180188844 1050897304 /nfs/dbraw/zinc/89/73/04/1050897304.db2.gz JMKIAJRUONWUTC-UHFFFAOYSA-N 1 1 349.478 4.244 20 10 EICDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ncc(-c3ccc(C)cc3)o2)c1 ZINC000775369732 1051139018 /nfs/dbraw/zinc/13/90/18/1051139018.db2.gz GPVRJDUWWPZPRH-CQSZACIVSA-N 1 1 338.407 4.215 20 10 EICDMO Cc1cc(CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)ccc1N(C)C ZINC001190651666 1051244692 /nfs/dbraw/zinc/24/46/92/1051244692.db2.gz PKCMQYFWIVYDFF-NRFANRHFSA-N 1 1 343.559 4.005 20 10 EICDMO Cc1ccc([C@H]2CSCC[N@@H+]2Cc2ccc(N(C)C)cc2)cc1 ZINC001190954629 1051321250 /nfs/dbraw/zinc/32/12/50/1051321250.db2.gz KIUQQQSIIFGNMS-HXUWFJFHSA-N 1 1 326.509 4.351 20 10 EICDMO C[Si](C)(C)c1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC001181859324 1051329026 /nfs/dbraw/zinc/32/90/26/1051329026.db2.gz GIULPLPGIMLHML-UHFFFAOYSA-N 1 1 337.898 4.020 20 10 EICDMO Oc1cc(F)c(F)cc1C[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC001182161169 1051408559 /nfs/dbraw/zinc/40/85/59/1051408559.db2.gz OYEXZWQAHANPLU-UHFFFAOYSA-N 1 1 332.375 4.084 20 10 EICDMO C[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1cc(Cl)c(Cl)cc1O ZINC000774120918 1051463884 /nfs/dbraw/zinc/46/38/84/1051463884.db2.gz VZTDCZPYYAOUJL-YGRLFVJLSA-N 1 1 343.254 4.246 20 10 EICDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1ccc(N(C)CC)cc1 ZINC001191531443 1051478029 /nfs/dbraw/zinc/47/80/29/1051478029.db2.gz SKNKHVBBHAHUKB-FQEVSTJZSA-N 1 1 337.511 4.373 20 10 EICDMO CC[N@H+](CCOc1ccccc1C)Cc1c(O)ccc(Cl)c1F ZINC001182469620 1051607529 /nfs/dbraw/zinc/60/75/29/1051607529.db2.gz HMUBKOGFHQUMEW-UHFFFAOYSA-N 1 1 337.822 4.394 20 10 EICDMO CC[N@@H+](CCOc1ccccc1C)Cc1c(O)ccc(Cl)c1F ZINC001182469620 1051607543 /nfs/dbraw/zinc/60/75/43/1051607543.db2.gz HMUBKOGFHQUMEW-UHFFFAOYSA-N 1 1 337.822 4.394 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1nc(-c2cccs2)no1)c1ccc(N(C)C)cc1 ZINC000774480484 1051611801 /nfs/dbraw/zinc/61/18/01/1051611801.db2.gz CFMRRNKYRGUGRM-OLZOCXBDSA-N 1 1 342.468 4.276 20 10 EICDMO C[N@@H+](Cc1ccc(C(F)F)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000183921136 1051648538 /nfs/dbraw/zinc/64/85/38/1051648538.db2.gz FOERWSAEHXWPQO-UHFFFAOYSA-N 1 1 346.421 4.093 20 10 EICDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H](C)c2cc(F)cc(F)c2)cc1 ZINC001182725022 1051689060 /nfs/dbraw/zinc/68/90/60/1051689060.db2.gz DVRNNHNIYFGADS-OAHLLOKOSA-N 1 1 348.437 4.145 20 10 EICDMO Cc1csc(C[C@@H]2CC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)n1 ZINC001183972180 1051933979 /nfs/dbraw/zinc/93/39/79/1051933979.db2.gz NWFZDHDOLVIWPN-NSHDSACASA-N 1 1 340.851 4.014 20 10 EICDMO Cc1csc(C[C@@H]2CC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)n1 ZINC001183972180 1051933987 /nfs/dbraw/zinc/93/39/87/1051933987.db2.gz NWFZDHDOLVIWPN-NSHDSACASA-N 1 1 340.851 4.014 20 10 EICDMO COc1c(O)c(C[N@@H+](C)Cc2ccc(C(C)C)cc2)ccc1[N+](=O)[O-] ZINC000774823845 1052162013 /nfs/dbraw/zinc/16/20/13/1052162013.db2.gz XBYQTJGFGLVJKB-UHFFFAOYSA-N 1 1 344.411 4.064 20 10 EICDMO C[C@H]([NH2+]Cc1ccccc1OC(F)(F)F)c1ccc(F)cc1O ZINC000184910341 1052294059 /nfs/dbraw/zinc/29/40/59/1052294059.db2.gz ZUKYIKPIMPJHCJ-JTQLQIEISA-N 1 1 329.293 4.281 20 10 EICDMO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1cc2c(cc1O)CCCC2 ZINC000185649173 1052667674 /nfs/dbraw/zinc/66/76/74/1052667674.db2.gz ZMUMIUNMIPXPAL-INIZCTEOSA-N 1 1 342.527 4.329 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000850373070 1053145863 /nfs/dbraw/zinc/14/58/63/1053145863.db2.gz BFXCDNPUWFHLIO-MRXNPFEDSA-N 1 1 332.241 4.240 20 10 EICDMO CCCN(CCC)c1ccc(C[NH2+]Cc2nccc(OC)c2F)cc1 ZINC000850380536 1053154347 /nfs/dbraw/zinc/15/43/47/1053154347.db2.gz IRRURLBCASFHKR-UHFFFAOYSA-N 1 1 345.462 4.146 20 10 EICDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000794654923 1053251093 /nfs/dbraw/zinc/25/10/93/1053251093.db2.gz DQRMHMNMLDDWQR-GWCFXTLKSA-N 1 1 331.378 4.168 20 10 EICDMO Cn1cc(C[N@@H+](C)Cc2ccccc2O)c(-c2cc3ccccc3o2)n1 ZINC000120059140 1053274316 /nfs/dbraw/zinc/27/43/16/1053274316.db2.gz CLYGBQMPAXMQNN-UHFFFAOYSA-N 1 1 347.418 4.171 20 10 EICDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cc3cc(C)ccc3o2)c1 ZINC000850531223 1053295752 /nfs/dbraw/zinc/29/57/52/1053295752.db2.gz HZTQHJZYNYKJHU-ZDUSSCGKSA-N 1 1 339.391 4.084 20 10 EICDMO Cc1cccc(C[N@@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)c1O ZINC000775643519 1053312108 /nfs/dbraw/zinc/31/21/08/1053312108.db2.gz QCGOVPXOPFUZDD-UHFFFAOYSA-N 1 1 344.430 4.079 20 10 EICDMO CCC[N@@H+](Cc1cc(OC)ccc1O)[C@H](C)c1ccccc1OC ZINC000775653683 1053390759 /nfs/dbraw/zinc/39/07/59/1053390759.db2.gz MNFAHRHAACZXHU-OAHLLOKOSA-N 1 1 329.440 4.383 20 10 EICDMO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(N2CCCCCC2)cc1 ZINC000764967899 1053402143 /nfs/dbraw/zinc/40/21/43/1053402143.db2.gz YXCRQTJVCARWFX-VLCRHTCISA-N 1 1 341.543 4.344 20 10 EICDMO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1ccc(N2CCCCCC2)cc1 ZINC000764967899 1053402150 /nfs/dbraw/zinc/40/21/50/1053402150.db2.gz YXCRQTJVCARWFX-VLCRHTCISA-N 1 1 341.543 4.344 20 10 EICDMO Cc1cc(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)ccc1N1CCCCC1 ZINC001195452866 1053404526 /nfs/dbraw/zinc/40/45/26/1053404526.db2.gz MGTJJYYSXBBXOJ-LJQANCHMSA-N 1 1 342.527 4.376 20 10 EICDMO C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+](C)Cc1ccccc1O ZINC000109772589 1053423087 /nfs/dbraw/zinc/42/30/87/1053423087.db2.gz PZMGMKFXGXFCDI-OAHLLOKOSA-N 1 1 334.419 4.004 20 10 EICDMO Cc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)c1O ZINC000775662133 1053429785 /nfs/dbraw/zinc/42/97/85/1053429785.db2.gz UUCPUUVMUMLRQG-SFHVURJKSA-N 1 1 331.843 4.100 20 10 EICDMO C[C@H]([NH2+]Cc1cccnc1F)c1ccc(N2CCCCC2)c(F)c1 ZINC000794828737 1053439563 /nfs/dbraw/zinc/43/95/63/1053439563.db2.gz NPOXGZONXQEXKF-AWEZNQCLSA-N 1 1 331.410 4.201 20 10 EICDMO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c(O)c1C ZINC000794829132 1053439955 /nfs/dbraw/zinc/43/99/55/1053439955.db2.gz STQUVLSVKQMRIY-ICSRJNTNSA-N 1 1 338.495 4.182 20 10 EICDMO COc1cc(C[N@@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)on1 ZINC000851880405 1053528878 /nfs/dbraw/zinc/52/88/78/1053528878.db2.gz XXMBDTNYXQJHGB-OAHLLOKOSA-N 1 1 338.407 4.152 20 10 EICDMO [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000775679250 1053555405 /nfs/dbraw/zinc/55/54/05/1053555405.db2.gz SCKTWEBHJXDOJB-INIZCTEOSA-N 1 1 336.907 4.134 20 10 EICDMO C[C@H]([NH2+][C@H]1CCc2ccccc2-n2ccnc21)c1ccc(F)cc1O ZINC000853240829 1053657400 /nfs/dbraw/zinc/65/74/00/1053657400.db2.gz ILWWYGZRUKLSFB-GUYCJALGSA-N 1 1 337.398 4.055 20 10 EICDMO C[C@@H]([NH2+][C@@H]1CCc2ccccc2-n2ccnc21)c1ccc(F)cc1O ZINC000853240823 1053657415 /nfs/dbraw/zinc/65/74/15/1053657415.db2.gz ILWWYGZRUKLSFB-CXAGYDPISA-N 1 1 337.398 4.055 20 10 EICDMO CC[C@H]([NH2+]Cc1cnccc1C(F)(F)F)c1ccc(F)cc1O ZINC000853242125 1053658075 /nfs/dbraw/zinc/65/80/75/1053658075.db2.gz WJYPALBYKNAHIA-AWEZNQCLSA-N 1 1 328.309 4.186 20 10 EICDMO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC000111236131 1053666996 /nfs/dbraw/zinc/66/69/96/1053666996.db2.gz JXTNOIRHUDAWFA-HZPDHXFCSA-N 1 1 340.467 4.365 20 10 EICDMO CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1cccc(OC)c1OC ZINC000866508442 1053758295 /nfs/dbraw/zinc/75/82/95/1053758295.db2.gz NNNBZLZMKSNMGJ-BLLLJJGKSA-N 1 1 333.403 4.350 20 10 EICDMO CCN(C)c1ccc(C[N@@H+]2CCc3nc[nH]c3[C@H]2c2ccccc2)cc1 ZINC001197978770 1054048923 /nfs/dbraw/zinc/04/89/23/1054048923.db2.gz LJFXSXWQGFMTGA-JOCHJYFZSA-N 1 1 346.478 4.014 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2CCc3nc[nH]c3[C@H]2c2ccccc2)cc1 ZINC001197978770 1054048935 /nfs/dbraw/zinc/04/89/35/1054048935.db2.gz LJFXSXWQGFMTGA-JOCHJYFZSA-N 1 1 346.478 4.014 20 10 EICDMO COc1cc(C[N@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)sn1 ZINC001198122783 1054084275 /nfs/dbraw/zinc/08/42/75/1054084275.db2.gz XDPFURNNMFKRLY-UHFFFAOYSA-N 1 1 345.512 4.082 20 10 EICDMO COc1cc(C[N@@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)sn1 ZINC001198122783 1054084289 /nfs/dbraw/zinc/08/42/89/1054084289.db2.gz XDPFURNNMFKRLY-UHFFFAOYSA-N 1 1 345.512 4.082 20 10 EICDMO C[C@H]([NH2+]Cc1ncc(Cl)s1)c1ccc(Br)cc1O ZINC000872114892 1054394560 /nfs/dbraw/zinc/39/45/60/1054394560.db2.gz DDORKYUXGCESKE-ZETCQYMHSA-N 1 1 347.665 4.115 20 10 EICDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC000858010361 1054395133 /nfs/dbraw/zinc/39/51/33/1054395133.db2.gz HMJFFTOADAFAJH-IBGZPJMESA-N 1 1 338.451 4.016 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ccc(C(F)(F)F)nc1 ZINC000872130346 1054406712 /nfs/dbraw/zinc/40/67/12/1054406712.db2.gz LJEXLGGXGBEMEH-BDAKNGLRSA-N 1 1 346.299 4.496 20 10 EICDMO CN(C)c1cc(F)c(C[NH2+][C@H](c2ccccn2)C2CCC2)cc1F ZINC000858239027 1054444696 /nfs/dbraw/zinc/44/46/96/1054444696.db2.gz NSSVFLUYDCBUAW-IBGZPJMESA-N 1 1 331.410 4.057 20 10 EICDMO Cc1ccnc(C[N@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)n1 ZINC000776012021 1054445951 /nfs/dbraw/zinc/44/59/51/1054445951.db2.gz WELFJBATJTVUGA-KRWDZBQOSA-N 1 1 333.435 4.254 20 10 EICDMO Cc1ccnc(C[N@@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)n1 ZINC000776012021 1054445952 /nfs/dbraw/zinc/44/59/52/1054445952.db2.gz WELFJBATJTVUGA-KRWDZBQOSA-N 1 1 333.435 4.254 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C(F)(F)F)[C@@H]2C)c1O ZINC000776013720 1054446988 /nfs/dbraw/zinc/44/69/88/1054446988.db2.gz NWWJCVBDHIDETN-CABZTGNLSA-N 1 1 337.769 4.217 20 10 EICDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3ccc(Cl)cc32)c1 ZINC000858582240 1054529685 /nfs/dbraw/zinc/52/96/85/1054529685.db2.gz OKUXPCQYZLTVCD-DIFFPNOSSA-N 1 1 345.826 4.170 20 10 EICDMO COc1cc(C[N@H+]2CCC[C@](C)(OC)CC2)c(O)c(C(C)(C)C)c1 ZINC000825748749 1054720915 /nfs/dbraw/zinc/72/09/15/1054720915.db2.gz IFFUFQXVACISMD-FQEVSTJZSA-N 1 1 335.488 4.089 20 10 EICDMO CCCC[N@@H+](Cc1c(C2CCC2)cnn1C)Cc1ccccc1O ZINC000825788135 1054788286 /nfs/dbraw/zinc/78/82/86/1054788286.db2.gz BXMVTZKRJHIASU-UHFFFAOYSA-N 1 1 327.472 4.196 20 10 EICDMO Cc1ccc(C[NH+](Cc2cccc(C)n2)Cc2cccc(C)n2)c(O)c1 ZINC000876802643 1054958919 /nfs/dbraw/zinc/95/89/19/1054958919.db2.gz RIAWJRROTQJSSK-UHFFFAOYSA-N 1 1 347.462 4.310 20 10 EICDMO Cc1cccc(C[NH+](Cc2cccc(C)n2)Cc2c(C)cccc2O)n1 ZINC000876803626 1054960069 /nfs/dbraw/zinc/96/00/69/1054960069.db2.gz XNYVRZODIYSEMO-UHFFFAOYSA-N 1 1 347.462 4.310 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+][C@H](C)c2cccs2)c1 ZINC001202050827 1054997413 /nfs/dbraw/zinc/99/74/13/1054997413.db2.gz OCWQWOBIPVSJMZ-SNVBAGLBSA-N 1 1 326.259 4.375 20 10 EICDMO CCN(CC)c1ccc(C[NH2+]Cc2nc3ccccc3o2)cc1F ZINC000877027684 1055002786 /nfs/dbraw/zinc/00/27/86/1055002786.db2.gz QZQQWPWEEOSAKO-UHFFFAOYSA-N 1 1 327.403 4.103 20 10 EICDMO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccc(C(F)(F)F)nc1 ZINC000877828666 1055130197 /nfs/dbraw/zinc/13/01/97/1055130197.db2.gz NQSGBBRJARHWGX-QMMMGPOBSA-N 1 1 348.727 4.449 20 10 EICDMO Cc1ccccc1C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756356651 1056707050 /nfs/dbraw/zinc/70/70/50/1056707050.db2.gz HGHAUYHYYJSLOV-NSHDSACASA-N 1 1 338.220 4.453 20 10 EICDMO Oc1ccccc1C[N@@H+](CCc1ccc2c(c1)CCO2)C1CCCC1 ZINC000743848057 1059145258 /nfs/dbraw/zinc/14/52/58/1059145258.db2.gz NMBWFTPIHZKLGP-UHFFFAOYSA-N 1 1 337.463 4.314 20 10 EICDMO Cc1ccc(O)c(CNc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)c1 ZINC000744446831 1059519210 /nfs/dbraw/zinc/51/92/10/1059519210.db2.gz DLDOZMUTJMOXDX-QGZVFWFLSA-N 1 1 340.467 4.033 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1ccc2ncccc2c1)C[C@@H]1CCCO1 ZINC000160183690 1018805832 /nfs/dbraw/zinc/80/58/32/1018805832.db2.gz DKAFJJIPUOVKKK-FQEVSTJZSA-N 1 1 348.446 4.122 20 10 EICDMO CC[C@H]([NH2+]C[C@H](O)c1c(F)cccc1Cl)c1ccc(F)cc1O ZINC000796817977 1019435566 /nfs/dbraw/zinc/43/55/66/1019435566.db2.gz OPUNWNJJPPHTEB-HOCLYGCPSA-N 1 1 341.785 4.098 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)c1ncc[nH]1 ZINC000287698015 1019920626 /nfs/dbraw/zinc/92/06/26/1019920626.db2.gz WZUGARCHJVQWBT-UONOGXRCSA-N 1 1 332.879 4.150 20 10 EICDMO CCC[N@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccccc1O ZINC000154714319 1019969544 /nfs/dbraw/zinc/96/95/44/1019969544.db2.gz XIEXRUTUVSXQCU-UHFFFAOYSA-N 1 1 330.375 4.280 20 10 EICDMO CCC[N@@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccccc1O ZINC000154714319 1019969557 /nfs/dbraw/zinc/96/95/57/1019969557.db2.gz XIEXRUTUVSXQCU-UHFFFAOYSA-N 1 1 330.375 4.280 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C2CC2)cc1 ZINC001167109069 1020187367 /nfs/dbraw/zinc/18/73/67/1020187367.db2.gz ZOEAOTUPRJBLTA-FQEVSTJZSA-N 1 1 328.500 4.066 20 10 EICDMO CCOC[C@@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000748095666 1020303334 /nfs/dbraw/zinc/30/33/34/1020303334.db2.gz SYVAQNOTFXRUFO-CQSZACIVSA-N 1 1 325.408 4.150 20 10 EICDMO COc1cc(O)c(C[N@@H+](Cc2ccccc2)CC(C)(C)C)cc1OC ZINC001204442506 1020335481 /nfs/dbraw/zinc/33/54/81/1020335481.db2.gz ZXXYZUJUIJBDKM-UHFFFAOYSA-N 1 1 343.467 4.458 20 10 EICDMO Cc1cc(C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)ccc1N(C)C ZINC001167722498 1022035651 /nfs/dbraw/zinc/03/56/51/1022035651.db2.gz VVVDOLFQKFIBQE-GOSISDBHSA-N 1 1 348.494 4.317 20 10 EICDMO C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cc(Cl)c(Cl)cc1[O-] ZINC000278822716 1022361930 /nfs/dbraw/zinc/36/19/30/1022361930.db2.gz SQVGXPQRBOEOPX-OQPBUACISA-N 1 1 326.227 4.150 20 10 EICDMO C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cc(Cl)c(Cl)cc1O ZINC000278822716 1022361950 /nfs/dbraw/zinc/36/19/50/1022361950.db2.gz SQVGXPQRBOEOPX-OQPBUACISA-N 1 1 326.227 4.150 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)Cn2c3ccccc3oc2=S)cc1 ZINC000022366561 1022930581 /nfs/dbraw/zinc/93/05/81/1022930581.db2.gz STWNBPDLDKJQFF-UHFFFAOYSA-N 1 1 327.453 4.119 20 10 EICDMO C[C@H](c1cccc(Br)c1)[N@@H+](C)Cc1cc(O)ccc1O ZINC001141163187 1023247179 /nfs/dbraw/zinc/24/71/79/1023247179.db2.gz UKWHFLCQNIFUCH-LLVKDONJSA-N 1 1 336.229 4.053 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1nccn1-c1ccccc1 ZINC000376788916 1023311932 /nfs/dbraw/zinc/31/19/32/1023311932.db2.gz UFNPFQZDWCCIPS-UONOGXRCSA-N 1 1 325.387 4.129 20 10 EICDMO Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000781892873 1023325738 /nfs/dbraw/zinc/32/57/38/1023325738.db2.gz FWKUUJRETDJBLW-OAHLLOKOSA-N 1 1 335.245 4.128 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000781892873 1023325753 /nfs/dbraw/zinc/32/57/53/1023325753.db2.gz FWKUUJRETDJBLW-OAHLLOKOSA-N 1 1 335.245 4.128 20 10 EICDMO CCc1nnc(C[NH2+]Cc2ccc(N(C)C3CCCCC3)cc2)s1 ZINC000892742683 1023360207 /nfs/dbraw/zinc/36/02/07/1023360207.db2.gz JEHRVEYXZICQMP-UHFFFAOYSA-N 1 1 344.528 4.159 20 10 EICDMO CC[C@@H](c1ccccc1O)[N@@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000377614813 1023634093 /nfs/dbraw/zinc/63/40/93/1023634093.db2.gz JUPFFAYMOVGUDX-OALUTQOASA-N 1 1 349.434 4.334 20 10 EICDMO CC[C@@H](c1ccccc1O)[N@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000377614813 1023634098 /nfs/dbraw/zinc/63/40/98/1023634098.db2.gz JUPFFAYMOVGUDX-OALUTQOASA-N 1 1 349.434 4.334 20 10 EICDMO Cc1c([C@H](C)[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)cnn1C ZINC000192660081 1023636569 /nfs/dbraw/zinc/63/65/69/1023636569.db2.gz OSSQTLIKZOBHHU-BDAKNGLRSA-N 1 1 328.243 4.153 20 10 EICDMO C[N@@H+](CCCc1ccccc1)Cc1ccc(Br)cc1O ZINC001204648841 1024020702 /nfs/dbraw/zinc/02/07/02/1024020702.db2.gz XAQIOPXCOUCMQT-UHFFFAOYSA-N 1 1 334.257 4.219 20 10 EICDMO C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1cc(Cl)c(Cl)cc1O ZINC000278844203 1024057993 /nfs/dbraw/zinc/05/79/93/1024057993.db2.gz VAPMBMMVDUDWOJ-BJOHPYRUSA-N 1 1 344.213 4.222 20 10 EICDMO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3cccc(C)c3O)n2)cc1 ZINC000276774504 1024125598 /nfs/dbraw/zinc/12/55/98/1024125598.db2.gz PJMQUGXTVBATAC-CQSZACIVSA-N 1 1 337.423 4.164 20 10 EICDMO C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310108596 1024348538 /nfs/dbraw/zinc/34/85/38/1024348538.db2.gz DQWQGWCIMOVFTQ-MAUKXSAKSA-N 1 1 344.886 4.046 20 10 EICDMO C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310108598 1024349113 /nfs/dbraw/zinc/34/91/13/1024349113.db2.gz DQWQGWCIMOVFTQ-QAPCUYQASA-N 1 1 344.886 4.046 20 10 EICDMO COC(=O)CC[N@@H+](Cc1ccccc1)Cc1c(O)ccc2ccccc21 ZINC000729464180 1026259269 /nfs/dbraw/zinc/25/92/69/1026259269.db2.gz NWSIBKRPKYFQJC-UHFFFAOYSA-N 1 1 349.430 4.111 20 10 EICDMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)c(O)c1OC ZINC000894773021 1026415093 /nfs/dbraw/zinc/41/50/93/1026415093.db2.gz NOXMXBXSOAMCJP-INIZCTEOSA-N 1 1 349.377 4.025 20 10 EICDMO CC[N@@H+](Cc1ccc(F)c(OC(F)(F)F)c1)Cc1ccccc1O ZINC001143446528 1026996994 /nfs/dbraw/zinc/99/69/94/1026996994.db2.gz DKLJUPHNUSEMTP-UHFFFAOYSA-N 1 1 343.320 4.452 20 10 EICDMO Cc1[nH]c2ccccc2c1C1=CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000443888541 1028038922 /nfs/dbraw/zinc/03/89/22/1028038922.db2.gz KOLDKYZUOTUEMG-UHFFFAOYSA-N 1 1 329.407 4.041 20 10 EICDMO CCCN1CCC([NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000161644860 1028495413 /nfs/dbraw/zinc/49/54/13/1028495413.db2.gz ZSDJIOBIDJTUIB-GOSISDBHSA-N 1 1 329.532 4.202 20 10 EICDMO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cc(Cl)c(Cl)cc1O ZINC000278240306 1028659390 /nfs/dbraw/zinc/65/93/90/1028659390.db2.gz LFBNPYNHVPPADJ-OTYXRUKQSA-N 1 1 340.254 4.161 20 10 EICDMO C[C@@H]([NH2+][C@@H](c1nccs1)c1ccccc1)c1cc(F)ccc1O ZINC000185235859 1030133523 /nfs/dbraw/zinc/13/35/23/1030133523.db2.gz CFWQIUQJOBVHJH-SJKOYZFVSA-N 1 1 328.412 4.428 20 10 EICDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)[C@@H](C)C1 ZINC001167686135 1030996913 /nfs/dbraw/zinc/99/69/13/1030996913.db2.gz NUIJLGBUICNMJA-FPOVZHCZSA-N 1 1 343.559 4.147 20 10 EICDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)[C@@H](C)C1 ZINC001167686135 1030996940 /nfs/dbraw/zinc/99/69/40/1030996940.db2.gz NUIJLGBUICNMJA-FPOVZHCZSA-N 1 1 343.559 4.147 20 10 EICDMO COc1ccccc1C(C)(C)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC000177119207 1031267010 /nfs/dbraw/zinc/26/70/10/1031267010.db2.gz OBXCVHDFOTZGJV-UHFFFAOYSA-N 1 1 347.842 4.282 20 10 EICDMO Cc1ccc(-c2noc([C@H](C)[N@H+](C)Cc3ccccc3O)n2)cc1F ZINC000109771201 1031307462 /nfs/dbraw/zinc/30/74/62/1031307462.db2.gz RMUGKIPVWIKMRE-ZDUSSCGKSA-N 1 1 341.386 4.083 20 10 EICDMO Cc1ccc(-c2noc([C@H](C)[N@@H+](C)Cc3ccccc3O)n2)cc1F ZINC000109771201 1031307480 /nfs/dbraw/zinc/30/74/80/1031307480.db2.gz RMUGKIPVWIKMRE-ZDUSSCGKSA-N 1 1 341.386 4.083 20 10 EICDMO C[N@@H+](Cc1cc(F)ccc1O)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273508963 1037489361 /nfs/dbraw/zinc/48/93/61/1037489361.db2.gz QLLPUEWSQUHFFS-IEBWSBKVSA-N 1 1 333.378 4.023 20 10 EICDMO C[N@@H+](Cc1cc(F)ccc1O)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273508967 1037489684 /nfs/dbraw/zinc/48/96/84/1037489684.db2.gz QLLPUEWSQUHFFS-PKOBYXMFSA-N 1 1 333.378 4.023 20 10 EICDMO CCN(CC)c1ccc(C[NH2+][C@H]2CCCc3oc(C)nc32)cc1F ZINC000925015504 1041588935 /nfs/dbraw/zinc/58/89/35/1041588935.db2.gz ULMCOYWREGROCQ-INIZCTEOSA-N 1 1 331.435 4.136 20 10 EICDMO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)cc1 ZINC000090450350 1042723183 /nfs/dbraw/zinc/72/31/83/1042723183.db2.gz VIGLXPKFXAMHTM-SJORKVTESA-N 1 1 349.482 4.135 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)Cc1cc(OC)c(OC)cc1C ZINC000727831362 1043313032 /nfs/dbraw/zinc/31/30/32/1043313032.db2.gz XSIRBCJLHMIBOT-UHFFFAOYSA-N 1 1 329.440 4.130 20 10 EICDMO Oc1ccccc1C[N@@H+](CCOc1cccc(F)c1)Cc1ccco1 ZINC000731845399 1043833776 /nfs/dbraw/zinc/83/37/76/1043833776.db2.gz ZSXHXNYXEFYJNQ-UHFFFAOYSA-N 1 1 341.382 4.206 20 10 EICDMO C[C@H](NC(C)(C)C[NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000733900979 1043855874 /nfs/dbraw/zinc/85/58/74/1043855874.db2.gz UTHUADFGXSTAIR-AWEZNQCLSA-N 1 1 332.875 4.265 20 10 EICDMO CC[C@H]1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C[C@@H](C)O1 ZINC000732184032 1043881377 /nfs/dbraw/zinc/88/13/77/1043881377.db2.gz DLXOFCQFJJDIPX-KGLIPLIRSA-N 1 1 329.440 4.017 20 10 EICDMO COC(=O)c1oc(C[N@@H+](Cc2ccccc2O)C2CCCC2)cc1C ZINC000732204114 1043887003 /nfs/dbraw/zinc/88/70/03/1043887003.db2.gz DGHAKBHKTJKYRN-UHFFFAOYSA-N 1 1 343.423 4.025 20 10 EICDMO Cn1ccnc1C[N@@H+](Cc1c(O)ccc2ccccc21)C1CCCC1 ZINC000732202601 1043887552 /nfs/dbraw/zinc/88/75/52/1043887552.db2.gz YMDMWRVKGKTRHR-UHFFFAOYSA-N 1 1 335.451 4.224 20 10 EICDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2cc(C)cc(C)c2O)c1 ZINC000732486158 1043923810 /nfs/dbraw/zinc/92/38/10/1043923810.db2.gz JHLCERQKZWKGDA-IBGZPJMESA-N 1 1 341.451 4.363 20 10 EICDMO C[C@@H](C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 ZINC000735079028 1044737708 /nfs/dbraw/zinc/73/77/08/1044737708.db2.gz ZNNNHILZRXHCBD-FXAWDEMLSA-N 1 1 325.452 4.177 20 10 EICDMO CCc1cc(C[N@H+]2CCC[C@H](n3ccnc3)C2)c(O)c(C(C)(C)C)c1 ZINC000738158668 1045041958 /nfs/dbraw/zinc/04/19/58/1045041958.db2.gz OSSYSPPQONBZOW-SFHVURJKSA-N 1 1 341.499 4.286 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CCCN(Cc3ccccc3)C[C@@H]2C)cc1C ZINC000740864361 1045232269 /nfs/dbraw/zinc/23/22/69/1045232269.db2.gz FAUVUKZYLGTBGY-IBGZPJMESA-N 1 1 338.495 4.105 20 10 EICDMO Cc1cc(O)c(CN2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C ZINC000740864361 1045232276 /nfs/dbraw/zinc/23/22/76/1045232276.db2.gz FAUVUKZYLGTBGY-IBGZPJMESA-N 1 1 338.495 4.105 20 10 EICDMO Cc1cc(O)c(CN2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C ZINC000740864361 1045232291 /nfs/dbraw/zinc/23/22/91/1045232291.db2.gz FAUVUKZYLGTBGY-IBGZPJMESA-N 1 1 338.495 4.105 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CCO[C@H](c3cccc(Cl)c3)C2)cc1C ZINC000767505923 1045549708 /nfs/dbraw/zinc/54/97/08/1045549708.db2.gz YUGHDDUWJWMXPX-IBGZPJMESA-N 1 1 331.843 4.236 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCO[C@H](c3cccc(Cl)c3)C2)cc1C ZINC000767505923 1045549723 /nfs/dbraw/zinc/54/97/23/1045549723.db2.gz YUGHDDUWJWMXPX-IBGZPJMESA-N 1 1 331.843 4.236 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCc1ccc2ccccc2n1 ZINC000790962976 1045637405 /nfs/dbraw/zinc/63/74/05/1045637405.db2.gz WFYMWTXIVUTMBK-UHFFFAOYSA-N 1 1 330.790 4.065 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1cc2ccccc2o1)C[C@@H]1CCCO1 ZINC000767900715 1045677822 /nfs/dbraw/zinc/67/78/22/1045677822.db2.gz UKQLAKRYFSLUMK-SFHVURJKSA-N 1 1 337.419 4.320 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1ccnc2ccccc12)C[C@@H]1CCCO1 ZINC000768160911 1045728562 /nfs/dbraw/zinc/72/85/62/1045728562.db2.gz CAMGMGOQKVOZGZ-IBGZPJMESA-N 1 1 348.446 4.122 20 10 EICDMO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000768225999 1045757095 /nfs/dbraw/zinc/75/70/95/1045757095.db2.gz XPENZHMCZVYKKJ-NSHDSACASA-N 1 1 343.418 4.387 20 10 EICDMO CCc1nn(C)c(Cl)c1C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000768353353 1045796707 /nfs/dbraw/zinc/79/67/07/1045796707.db2.gz SBYGLPCYVHAMQR-UHFFFAOYSA-N 1 1 348.922 4.113 20 10 EICDMO CCc1nn(C)c(Cl)c1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000768353353 1045796685 /nfs/dbraw/zinc/79/66/85/1045796685.db2.gz SBYGLPCYVHAMQR-UHFFFAOYSA-N 1 1 348.922 4.113 20 10 EICDMO COc1cc(O)c(C[N@@H+](Cc2ccccc2)[C@H](C)C2CC2)cc1OC ZINC000768439861 1045806966 /nfs/dbraw/zinc/80/69/66/1045806966.db2.gz ODHNNHGNEVMJKB-OAHLLOKOSA-N 1 1 341.451 4.210 20 10 EICDMO COc1cc(O)c(C[N@@H+]2CC=C(c3ccc(C)cc3)CC2)cc1OC ZINC000768442478 1045807252 /nfs/dbraw/zinc/80/72/52/1045807252.db2.gz QGQGCIMAALIPKZ-UHFFFAOYSA-N 1 1 339.435 4.007 20 10 EICDMO COc1cc(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c(O)cc1C ZINC000768449722 1045808238 /nfs/dbraw/zinc/80/82/38/1045808238.db2.gz ZKOIMMZEBAGRRP-QGZVFWFLSA-N 1 1 333.378 4.325 20 10 EICDMO COc1cc(O)c(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)cc1OC ZINC000768465750 1045810852 /nfs/dbraw/zinc/81/08/52/1045810852.db2.gz KGOZQDGNEMXTRK-MAUKXSAKSA-N 1 1 341.451 4.035 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCCC[C@H]2c2ccc(F)cc2)cc1OC ZINC000768464069 1045810891 /nfs/dbraw/zinc/81/08/91/1045810891.db2.gz NDRGMYFZPMIFSF-KRWDZBQOSA-N 1 1 345.414 4.276 20 10 EICDMO CCOc1ccc(O)c(C[N@@H+](CC)[C@@H](C)c2cccc(OC)c2)c1 ZINC000768519748 1045814380 /nfs/dbraw/zinc/81/43/80/1045814380.db2.gz FSFDJPKFKIITBQ-HNNXBMFYSA-N 1 1 329.440 4.383 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCC[C@@]2(C)Cc2ccccc2)cc1OC ZINC000768536545 1045816503 /nfs/dbraw/zinc/81/65/03/1045816503.db2.gz YJYGBKZJKHRTFM-NRFANRHFSA-N 1 1 341.451 4.007 20 10 EICDMO CCOc1ccc(C[N@@H+](CCOC)[C@@H](C)c2ccccc2)c(O)c1 ZINC000768597288 1045824761 /nfs/dbraw/zinc/82/47/61/1045824761.db2.gz REHZRBKFSWWSMM-INIZCTEOSA-N 1 1 329.440 4.001 20 10 EICDMO COc1cccc(O)c1C[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000768775450 1045839665 /nfs/dbraw/zinc/83/96/65/1045839665.db2.gz ANZZLODTBNVEIH-INIZCTEOSA-N 1 1 336.435 4.262 20 10 EICDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000768775454 1045840143 /nfs/dbraw/zinc/84/01/43/1045840143.db2.gz ANZZLODTBNVEIH-MRXNPFEDSA-N 1 1 336.435 4.262 20 10 EICDMO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000247222356 1045843430 /nfs/dbraw/zinc/84/34/30/1045843430.db2.gz WKJOSKBXYOORTC-YJBOKZPZSA-N 1 1 341.503 4.043 20 10 EICDMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+](C)Cc1ccccc1O ZINC000768872156 1045850185 /nfs/dbraw/zinc/85/01/85/1045850185.db2.gz DULWSTRZHBKLSJ-UHFFFAOYSA-N 1 1 349.478 4.194 20 10 EICDMO C[N@H+](Cc1ccccc1O)Cc1c(Cl)cccc1OC(F)F ZINC000768873696 1045850876 /nfs/dbraw/zinc/85/08/76/1045850876.db2.gz UMACLESSEVZVFJ-UHFFFAOYSA-N 1 1 327.758 4.279 20 10 EICDMO C[N@@H+](Cc1ccccc1O)Cc1c(Cl)cccc1OC(F)F ZINC000768873696 1045850882 /nfs/dbraw/zinc/85/08/82/1045850882.db2.gz UMACLESSEVZVFJ-UHFFFAOYSA-N 1 1 327.758 4.279 20 10 EICDMO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000768919915 1045860427 /nfs/dbraw/zinc/86/04/27/1045860427.db2.gz ZVRZSBZPGDHXGF-QGZVFWFLSA-N 1 1 341.842 4.269 20 10 EICDMO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000768919915 1045860430 /nfs/dbraw/zinc/86/04/30/1045860430.db2.gz ZVRZSBZPGDHXGF-QGZVFWFLSA-N 1 1 341.842 4.269 20 10 EICDMO Oc1ccc(F)cc1C[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000792192059 1045876903 /nfs/dbraw/zinc/87/69/03/1045876903.db2.gz AQSGMPBYEIVCQS-UHFFFAOYSA-N 1 1 327.321 4.486 20 10 EICDMO COc1cc(C[N@@H+](C)Cc2cc(Cl)ccc2O)ccc1SC ZINC000769192852 1045885624 /nfs/dbraw/zinc/88/56/24/1045885624.db2.gz QVINHOFISZFPCL-UHFFFAOYSA-N 1 1 337.872 4.408 20 10 EICDMO CC[C@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1ccc(F)cc1O ZINC000796942574 1045886525 /nfs/dbraw/zinc/88/65/25/1045886525.db2.gz UTCCWKRFSJEJLM-FUHWJXTLSA-N 1 1 337.822 4.133 20 10 EICDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(N(C)C)c(F)c2)s1 ZINC000769471544 1045989885 /nfs/dbraw/zinc/98/98/85/1045989885.db2.gz VQJSVKPFLZAUTD-CYBMUJFWSA-N 1 1 335.492 4.412 20 10 EICDMO c1ccc([C@@H]2COCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000769503809 1046000974 /nfs/dbraw/zinc/00/09/74/1046000974.db2.gz NAFJDDKPUARFAN-QFIPXVFZSA-N 1 1 336.479 4.250 20 10 EICDMO c1ccc([C@@H]2COCC[N@H+]2Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000769503809 1046000956 /nfs/dbraw/zinc/00/09/56/1046000956.db2.gz NAFJDDKPUARFAN-QFIPXVFZSA-N 1 1 336.479 4.250 20 10 EICDMO CCOc1cccc(C[N@@H+](C)C[C@@H](C)Cc2ccc(OC)cc2)c1O ZINC000769519675 1046007434 /nfs/dbraw/zinc/00/74/34/1046007434.db2.gz WPZKEIRUOCWNDX-INIZCTEOSA-N 1 1 343.467 4.110 20 10 EICDMO CCOc1cccc(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1O ZINC000769560195 1046021371 /nfs/dbraw/zinc/02/13/71/1046021371.db2.gz TZGFPDFTJVQFFU-CYBMUJFWSA-N 1 1 333.378 4.059 20 10 EICDMO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c(C(F)(F)F)c1 ZINC000792759582 1046062872 /nfs/dbraw/zinc/06/28/72/1046062872.db2.gz AADNIRSKPKFSPI-KRWDZBQOSA-N 1 1 337.389 4.437 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c(C(F)(F)F)c1 ZINC000792759582 1046062886 /nfs/dbraw/zinc/06/28/86/1046062886.db2.gz AADNIRSKPKFSPI-KRWDZBQOSA-N 1 1 337.389 4.437 20 10 EICDMO CC[N@@H+](Cc1ccccn1)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792825435 1046073197 /nfs/dbraw/zinc/07/31/97/1046073197.db2.gz VMPKCADNXRCNTF-UHFFFAOYSA-N 1 1 337.389 4.189 20 10 EICDMO CC[C@H]([NH2+][C@H](C)[C@H](c1ccccc1)N(C)C)c1ccc(F)cc1O ZINC000796945173 1046102817 /nfs/dbraw/zinc/10/28/17/1046102817.db2.gz NVDNGJRMSDUAQJ-HEFCMCLBSA-N 1 1 330.447 4.263 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+][C@H](C)c2cccc(O)c2)c1 ZINC000758548030 1046214461 /nfs/dbraw/zinc/21/44/61/1046214461.db2.gz ZZGDJBKYUHOMLK-LLVKDONJSA-N 1 1 336.229 4.020 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2cnc(C(C)(C)C)nc2)C2CC2)cc1 ZINC000793571022 1046307146 /nfs/dbraw/zinc/30/71/46/1046307146.db2.gz JNDOMNSDQAHECI-UHFFFAOYSA-N 1 1 338.499 4.005 20 10 EICDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1O ZINC000793613258 1046312715 /nfs/dbraw/zinc/31/27/15/1046312715.db2.gz LSOOLVIPIGRXHV-GXTWGEPZSA-N 1 1 334.674 4.370 20 10 EICDMO CCCN(CCC)c1ccc(CNC2CC[NH+](CC3CC3)CC2)cc1 ZINC000916836778 1046377779 /nfs/dbraw/zinc/37/77/79/1046377779.db2.gz MUKXFJBUJQYBLG-UHFFFAOYSA-N 1 1 343.559 4.277 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)c1 ZINC000771933983 1046529302 /nfs/dbraw/zinc/52/93/02/1046529302.db2.gz PVIJWGLNFMXPRY-LJQANCHMSA-N 1 1 327.424 4.137 20 10 EICDMO COc1ccc(N2CCC[N@@H+](Cc3ccc(SC)cc3)CC2)cc1 ZINC000917089731 1046677505 /nfs/dbraw/zinc/67/75/05/1046677505.db2.gz IVHXRMOLLNIOGS-UHFFFAOYSA-N 1 1 342.508 4.129 20 10 EICDMO COc1ccc(N2CCC[N@H+]([C@H]3CCCc4ccccc43)CC2)cc1 ZINC000917210031 1046807321 /nfs/dbraw/zinc/80/73/21/1046807321.db2.gz BYVDROQUKAZDOR-QFIPXVFZSA-N 1 1 336.479 4.285 20 10 EICDMO Cc1ccc(O)c(CNc2ccc(C[NH+](C)C)c(Br)c2)c1 ZINC000786155128 1046813093 /nfs/dbraw/zinc/81/30/93/1046813093.db2.gz CKAKZGKZKZTYJA-UHFFFAOYSA-N 1 1 349.272 4.137 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)C2CCC(F)(F)CC2)c1O ZINC000805839024 1047028073 /nfs/dbraw/zinc/02/80/73/1047028073.db2.gz BQPHBSBHKCSVRL-UHFFFAOYSA-N 1 1 331.790 4.258 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)C2CCC(F)(F)CC2)c1O ZINC000805839024 1047028087 /nfs/dbraw/zinc/02/80/87/1047028087.db2.gz BQPHBSBHKCSVRL-UHFFFAOYSA-N 1 1 331.790 4.258 20 10 EICDMO COC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(Cl)c1F ZINC000806128296 1047152294 /nfs/dbraw/zinc/15/22/94/1047152294.db2.gz QNYYODHCBMXPOE-KRWDZBQOSA-N 1 1 336.838 4.022 20 10 EICDMO COc1ccc(N2CCC[N@H+]([C@@H](C)CCc3ccccc3)CC2)cc1 ZINC000917831501 1047173337 /nfs/dbraw/zinc/17/33/37/1047173337.db2.gz DBFVJJRTIGPDLA-IBGZPJMESA-N 1 1 338.495 4.229 20 10 EICDMO CN1CCCc2cc(C[NH2+][C@H]3COCc4cccc(Cl)c43)ccc21 ZINC000788583535 1047239496 /nfs/dbraw/zinc/23/94/96/1047239496.db2.gz LSTJPFKAVZOBTN-SFHVURJKSA-N 1 1 342.870 4.084 20 10 EICDMO COC[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)c1ccc(C)o1 ZINC000788607745 1047245215 /nfs/dbraw/zinc/24/52/15/1047245215.db2.gz CGYKRLVOLWOJJV-SMDDNHRTSA-N 1 1 343.345 4.351 20 10 EICDMO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CCO1 ZINC000788646922 1047247472 /nfs/dbraw/zinc/24/74/72/1047247472.db2.gz FHKCVJOAAUMCJA-HUBLWGQQSA-N 1 1 331.378 4.265 20 10 EICDMO C[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1cccc(C(F)(F)F)c1O ZINC000788752441 1047283752 /nfs/dbraw/zinc/28/37/52/1047283752.db2.gz WADSEOYEEDLTGF-LLVKDONJSA-N 1 1 349.356 4.149 20 10 EICDMO COc1ccc(C2CC[NH+](Cc3cc(F)c(F)cc3O)CC2)cc1 ZINC001142520071 1047495417 /nfs/dbraw/zinc/49/54/17/1047495417.db2.gz BEHXTUIGNSXWIL-UHFFFAOYSA-N 1 1 333.378 4.059 20 10 EICDMO CN(C)c1ccccc1C[N@@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000808235806 1047851541 /nfs/dbraw/zinc/85/15/41/1047851541.db2.gz GVVFYHZLZXXSML-UHFFFAOYSA-N 1 1 342.483 4.093 20 10 EICDMO O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000824697159 1047898162 /nfs/dbraw/zinc/89/81/62/1047898162.db2.gz ZCRSKZLXUWHEIW-BHIFYINESA-N 1 1 342.527 4.192 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824715882 1047908848 /nfs/dbraw/zinc/90/88/48/1047908848.db2.gz QBJURSJQIXJLQS-VWPQPMDRSA-N 1 1 337.463 4.185 20 10 EICDMO COc1cc(C[N@@H+](C)Cc2cccc(C)n2)c(O)c(C(C)(C)C)c1 ZINC000824856525 1047975826 /nfs/dbraw/zinc/97/58/26/1047975826.db2.gz YXAHTDBYJIYIJI-UHFFFAOYSA-N 1 1 328.456 4.034 20 10 EICDMO Cc1cc(Cl)cc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1O ZINC000824893113 1047982974 /nfs/dbraw/zinc/98/29/74/1047982974.db2.gz KJXJUCADQRAECW-SJORKVTESA-N 1 1 335.875 4.135 20 10 EICDMO Cc1cc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)c(C)n1-c1cccc(C)c1 ZINC000825017568 1048020025 /nfs/dbraw/zinc/02/00/25/1048020025.db2.gz UZROKAISWUPQGO-MGPUTAFESA-N 1 1 334.467 4.395 20 10 EICDMO Cc1cc(O)c(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000825478421 1048098498 /nfs/dbraw/zinc/09/84/98/1048098498.db2.gz AKBVWIIBQSAIPE-CABCVRRESA-N 1 1 336.907 4.097 20 10 EICDMO Cc1cc([O-])c(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000825478421 1048098507 /nfs/dbraw/zinc/09/85/07/1048098507.db2.gz AKBVWIIBQSAIPE-CABCVRRESA-N 1 1 336.907 4.097 20 10 EICDMO Cc1cc([O-])c(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000825478421 1048098520 /nfs/dbraw/zinc/09/85/20/1048098520.db2.gz AKBVWIIBQSAIPE-CABCVRRESA-N 1 1 336.907 4.097 20 10 EICDMO CN(C)c1ccc(C[N@H+](Cc2ccco2)C[C@H]2CCSC2)cc1 ZINC000809731728 1048484424 /nfs/dbraw/zinc/48/44/24/1048484424.db2.gz OTENVEFQJHOSPT-QGZVFWFLSA-N 1 1 330.497 4.101 20 10 EICDMO C[C@@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000809704225 1048489045 /nfs/dbraw/zinc/48/90/45/1048489045.db2.gz WMSDRLNCROIGNQ-UTKZUKDTSA-N 1 1 336.479 4.118 20 10 EICDMO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc(-c2ccccc2)ccc1O ZINC000809704225 1048489049 /nfs/dbraw/zinc/48/90/49/1048489049.db2.gz WMSDRLNCROIGNQ-UTKZUKDTSA-N 1 1 336.479 4.118 20 10 EICDMO CC[C@@H](CSC)[N@H+](C)Cc1cc(C)cc(Br)c1O ZINC000809767638 1048500002 /nfs/dbraw/zinc/50/00/02/1048500002.db2.gz PVDQBACFUBITNL-LBPRGKRZSA-N 1 1 332.307 4.037 20 10 EICDMO CC[C@@H](CSC)[N@@H+](C)Cc1cc(C)cc(Br)c1O ZINC000809767638 1048500009 /nfs/dbraw/zinc/50/00/09/1048500009.db2.gz PVDQBACFUBITNL-LBPRGKRZSA-N 1 1 332.307 4.037 20 10 EICDMO C[C@H]1[C@H](N2CCCC2)CC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000809724595 1048500048 /nfs/dbraw/zinc/50/00/48/1048500048.db2.gz RCGSMAGYWWCPDI-LAUBAEHRSA-N 1 1 336.479 4.118 20 10 EICDMO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc(-c2ccccc2)ccc1O ZINC000809724595 1048500054 /nfs/dbraw/zinc/50/00/54/1048500054.db2.gz RCGSMAGYWWCPDI-LAUBAEHRSA-N 1 1 336.479 4.118 20 10 EICDMO CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(Cl)ccc1[O-] ZINC000809738844 1048511851 /nfs/dbraw/zinc/51/18/51/1048511851.db2.gz MKJODGGJNAKYFA-UHFFFAOYSA-N 1 1 332.875 4.129 20 10 EICDMO CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(Cl)ccc1[O-] ZINC000809738844 1048511868 /nfs/dbraw/zinc/51/18/68/1048511868.db2.gz MKJODGGJNAKYFA-UHFFFAOYSA-N 1 1 332.875 4.129 20 10 EICDMO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000809758283 1048520853 /nfs/dbraw/zinc/52/08/53/1048520853.db2.gz IPHUKFZFABFZSA-RTWAWAEBSA-N 1 1 342.527 4.316 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1cccc(C(F)(F)F)c1O ZINC000815596735 1048531178 /nfs/dbraw/zinc/53/11/78/1048531178.db2.gz CPPWYKZUHHYDMH-LLVKDONJSA-N 1 1 337.341 4.292 20 10 EICDMO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815598632 1048532012 /nfs/dbraw/zinc/53/20/12/1048532012.db2.gz ZCBZZZALHSVKJS-IAQYHMDHSA-N 1 1 333.394 4.105 20 10 EICDMO CCOc1cccc(C[N@@H+](C)[C@H](CC)c2cccc(OC)c2)c1O ZINC000809784134 1048532813 /nfs/dbraw/zinc/53/28/13/1048532813.db2.gz RJWDCZJBXYCJOO-GOSISDBHSA-N 1 1 329.440 4.383 20 10 EICDMO Oc1cc(F)c(Br)cc1C[NH+]1CCC2(CC(F)C2)CC1 ZINC001144292285 1048569288 /nfs/dbraw/zinc/56/92/88/1048569288.db2.gz AOYKLXNBLGCZNB-UHFFFAOYSA-N 1 1 346.215 4.008 20 10 EICDMO CCc1nnc(C[NH2+][C@H](CC)c2ccc(C(F)(F)F)cc2O)s1 ZINC000810260810 1048712296 /nfs/dbraw/zinc/71/22/96/1048712296.db2.gz QIRPLTLGJFZMQM-LLVKDONJSA-N 1 1 345.390 4.066 20 10 EICDMO COc1cccc([C@H]2CCC[N@H+]2Cc2cc(F)cc(C(C)=O)c2O)c1 ZINC000748050493 1048736149 /nfs/dbraw/zinc/73/61/49/1048736149.db2.gz DMOQBTJJIRZLAC-LJQANCHMSA-N 1 1 343.398 4.080 20 10 EICDMO Cc1cc(C)c(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000920838733 1048799637 /nfs/dbraw/zinc/79/96/37/1048799637.db2.gz VCHPLSPZQQJGJK-UHFFFAOYSA-N 1 1 338.495 4.080 20 10 EICDMO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc2ccccc2c1O ZINC000816482510 1048812630 /nfs/dbraw/zinc/81/26/30/1048812630.db2.gz IMNQZMLMEYJTPT-UHFFFAOYSA-N 1 1 343.430 4.363 20 10 EICDMO Oc1c(C[N@H+]2CCO[C@@H](c3ccsc3)C2)ccc2ccccc21 ZINC000816516501 1048824104 /nfs/dbraw/zinc/82/41/04/1048824104.db2.gz HLSSEAGQDKVUOG-GOSISDBHSA-N 1 1 325.433 4.180 20 10 EICDMO CC(C)[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@@H](O)c1ccccc1 ZINC000816594387 1048832306 /nfs/dbraw/zinc/83/23/06/1048832306.db2.gz BJYAGMFJEQNKKT-ROUUACIJSA-N 1 1 337.822 4.033 20 10 EICDMO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816585054 1048832611 /nfs/dbraw/zinc/83/26/11/1048832611.db2.gz AEFBWTMZDRNERA-KRWDZBQOSA-N 1 1 339.357 4.089 20 10 EICDMO CC(C)(C)Oc1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)n1 ZINC000816559564 1048835004 /nfs/dbraw/zinc/83/50/04/1048835004.db2.gz NVGXCHPTZILICM-UHFFFAOYSA-N 1 1 338.810 4.047 20 10 EICDMO CC(C)(CO)[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC000816593651 1048840730 /nfs/dbraw/zinc/84/07/30/1048840730.db2.gz ZMJOLBAIMYNZPF-KRWDZBQOSA-N 1 1 337.822 4.034 20 10 EICDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc2ccccc2c1O ZINC000816601133 1048842527 /nfs/dbraw/zinc/84/25/27/1048842527.db2.gz SMQWJVQDOGUEMY-UHFFFAOYSA-N 1 1 336.391 4.128 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000816612915 1048844126 /nfs/dbraw/zinc/84/41/26/1048844126.db2.gz BBZOEYNTSPGKRK-RDTXWAMCSA-N 1 1 335.806 4.195 20 10 EICDMO C[C@H](c1ccccc1)[N@@H+](CCCc1cncn1C)Cc1ccccc1O ZINC000846839429 1048916608 /nfs/dbraw/zinc/91/66/08/1048916608.db2.gz FCUITGSKPKPNFA-GOSISDBHSA-N 1 1 349.478 4.322 20 10 EICDMO CCc1cc(C[N@H+]2CC[C@H](n3cc(C)cn3)C2)c(O)c(C(C)(C)C)c1 ZINC000811798019 1049270771 /nfs/dbraw/zinc/27/07/71/1049270771.db2.gz GGVISYBMQCEKKN-SFHVURJKSA-N 1 1 341.499 4.204 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1C(C)C ZINC000811789499 1049278571 /nfs/dbraw/zinc/27/85/71/1049278571.db2.gz CYAKVMXVWKNQTB-WOJBJXKFSA-N 1 1 329.484 4.358 20 10 EICDMO Oc1cc2c(cc1O)C[N@H+]([C@H]1CCc3cccc(Cl)c3C1)CCC2 ZINC001170943554 1049429828 /nfs/dbraw/zinc/42/98/28/1049429828.db2.gz LVXAZKSNJBCQSN-INIZCTEOSA-N 1 1 343.854 4.057 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCc3cc(F)cc(F)c3C2)cc1 ZINC001170706314 1049768894 /nfs/dbraw/zinc/76/88/94/1049768894.db2.gz BAQWIFUEQLJFCQ-GOSISDBHSA-N 1 1 330.422 4.020 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCc2cccc(F)c2C1 ZINC001170995944 1049797190 /nfs/dbraw/zinc/79/71/90/1049797190.db2.gz GUDOKDYCPZNGCN-FQEVSTJZSA-N 1 1 338.470 4.415 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)C2CCC(C(=O)OC(C)(C)C)CC2)cc1 ZINC001171932948 1049829856 /nfs/dbraw/zinc/82/98/56/1049829856.db2.gz MVQQSUXRILQQJQ-UHFFFAOYSA-N 1 1 346.515 4.085 20 10 EICDMO C[N@@H+](Cc1cnc(CCc2ccccc2)s1)Cc1ccccc1O ZINC000823408434 1049845531 /nfs/dbraw/zinc/84/55/31/1049845531.db2.gz GTJWSSBEZKVBLV-UHFFFAOYSA-N 1 1 338.476 4.266 20 10 EICDMO CO[C@H]1CCC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000824142177 1049900031 /nfs/dbraw/zinc/90/00/31/1049900031.db2.gz LEFRUVKLMAASFN-IBGZPJMESA-N 1 1 344.524 4.385 20 10 EICDMO Cc1cccc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)c1O ZINC000180721134 1049933023 /nfs/dbraw/zinc/93/30/23/1049933023.db2.gz LVCIYCKLJLGHOE-ROUUACIJSA-N 1 1 329.440 4.162 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]2C[C@H]2C2CCCC2)c1 ZINC001204090887 1049952483 /nfs/dbraw/zinc/95/24/83/1049952483.db2.gz YUYVRDNWJBRJGO-ZFWWWQNUSA-N 1 1 338.289 4.379 20 10 EICDMO CC(C)n1c(C[NH2+]Cc2ccc(N(C)C)c(F)c2)nc2ccccc21 ZINC001177554440 1050240446 /nfs/dbraw/zinc/24/04/46/1050240446.db2.gz YJGDJYJKKHOWOZ-UHFFFAOYSA-N 1 1 340.446 4.112 20 10 EICDMO Cc1cc(CNc2ccc3c(c2)[nH+]cn3C)cc(C)c1OC(F)F ZINC001178037574 1050373841 /nfs/dbraw/zinc/37/38/41/1050373841.db2.gz QHJOARKSHVJWLL-UHFFFAOYSA-N 1 1 331.366 4.404 20 10 EICDMO C[NH+]1CCN(c2ccc(CNc3cccc(C(F)F)c3)cc2F)CC1 ZINC001178105783 1050375411 /nfs/dbraw/zinc/37/54/11/1050375411.db2.gz HFXBBXCLFKRIAT-UHFFFAOYSA-N 1 1 349.400 4.127 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C1Cc2cc(F)c(F)cc2C1 ZINC001173483607 1050463324 /nfs/dbraw/zinc/46/33/24/1050463324.db2.gz SWYUFMFVRXWWCF-UHFFFAOYSA-N 1 1 342.433 4.164 20 10 EICDMO Oc1c(Br)cccc1C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000775150791 1050637685 /nfs/dbraw/zinc/63/76/85/1050637685.db2.gz BAFVZFFKEIVTOK-UHFFFAOYSA-N 1 1 344.611 4.237 20 10 EICDMO Cc1cc(N(C)C)ccc1C[N@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC001179931572 1050822230 /nfs/dbraw/zinc/82/22/30/1050822230.db2.gz OMVHOPRLNNOJAI-JOCHJYFZSA-N 1 1 340.511 4.080 20 10 EICDMO CCc1cccc(C[N@@H+](C)Cc2csc(Br)c2)c1O ZINC001179967085 1050850414 /nfs/dbraw/zinc/85/04/14/1050850414.db2.gz XRCOYUQGRRMYQJ-UHFFFAOYSA-N 1 1 340.286 4.411 20 10 EICDMO COc1cc(C)c(C[N@H+]2CCC[C@H]2CCc2ccccc2)c(O)c1 ZINC001180043149 1050863766 /nfs/dbraw/zinc/86/37/66/1050863766.db2.gz OTBPJXKVTFTOAG-SFHVURJKSA-N 1 1 325.452 4.306 20 10 EICDMO Oc1c(F)cccc1C[NH+]1CCC(Nc2ccccc2Cl)CC1 ZINC001180067997 1050873409 /nfs/dbraw/zinc/87/34/09/1050873409.db2.gz HKNUDGKJEOXCPC-UHFFFAOYSA-N 1 1 334.822 4.261 20 10 EICDMO COC(=O)c1c(C[N@H+]2CCC[C@H]2CC(C)C)c2cc(F)ccc2n1C ZINC001180128940 1050882289 /nfs/dbraw/zinc/88/22/89/1050882289.db2.gz DPHIRPJGMJEJIL-HNNXBMFYSA-N 1 1 346.446 4.115 20 10 EICDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)c(F)cc2[O-])C12CCCCC2 ZINC001180098854 1050886531 /nfs/dbraw/zinc/88/65/31/1050886531.db2.gz PUNVREBDPLIWKT-ZWKOTPCHSA-N 1 1 339.426 4.230 20 10 EICDMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)c(F)cc2O)C12CCCCC2 ZINC001180098854 1050886538 /nfs/dbraw/zinc/88/65/38/1050886538.db2.gz PUNVREBDPLIWKT-ZWKOTPCHSA-N 1 1 339.426 4.230 20 10 EICDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)c(F)cc2O)C12CCCCC2 ZINC001180098854 1050886541 /nfs/dbraw/zinc/88/65/41/1050886541.db2.gz PUNVREBDPLIWKT-ZWKOTPCHSA-N 1 1 339.426 4.230 20 10 EICDMO CCN(C)c1ccc(C[NH2+][C@@H](COCC(C)C)c2ccco2)cc1 ZINC000773842428 1050916507 /nfs/dbraw/zinc/91/65/07/1050916507.db2.gz ZIWGOJWWVXBOEO-IBGZPJMESA-N 1 1 330.472 4.239 20 10 EICDMO CC[N@@H+](CCc1cccs1)Cc1ccc(Br)cc1O ZINC001180194343 1050924010 /nfs/dbraw/zinc/92/40/10/1050924010.db2.gz CRLJSISTUYWEQY-UHFFFAOYSA-N 1 1 340.286 4.281 20 10 EICDMO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)c(O)c1 ZINC001180194880 1050926106 /nfs/dbraw/zinc/92/61/06/1050926106.db2.gz NAAUCZFYXRLMOE-FPOVZHCZSA-N 1 1 325.452 4.300 20 10 EICDMO C[C@H]([NH2+]Cc1ccc(Cl)cc1[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001180348888 1050962587 /nfs/dbraw/zinc/96/25/87/1050962587.db2.gz FJGHHOBGFROLPT-MAUKXSAKSA-N 1 1 344.886 4.046 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H](Cc2ccccc2)OC)cc1 ZINC001180359448 1050967639 /nfs/dbraw/zinc/96/76/39/1050967639.db2.gz MPDNXEWPPSSVKT-QFIPXVFZSA-N 1 1 340.511 4.222 20 10 EICDMO CCOc1ccc(C[N@H+](C)Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC001180488381 1051004347 /nfs/dbraw/zinc/00/43/47/1051004347.db2.gz KWQYTMIOBRNGKP-UHFFFAOYSA-N 1 1 334.410 4.062 20 10 EICDMO CCOc1ccc(C[N@@H+](C)Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC001180488381 1051004360 /nfs/dbraw/zinc/00/43/60/1051004360.db2.gz KWQYTMIOBRNGKP-UHFFFAOYSA-N 1 1 334.410 4.062 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)c1O ZINC001180521168 1051016081 /nfs/dbraw/zinc/01/60/81/1051016081.db2.gz JNIHFGVOGRDGHR-QGZVFWFLSA-N 1 1 331.843 4.261 20 10 EICDMO C[C@@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1ccc(N(C)C)cc1 ZINC000775362510 1051129802 /nfs/dbraw/zinc/12/98/02/1051129802.db2.gz HPWBDXUGGMEXNX-CQSZACIVSA-N 1 1 338.480 4.122 20 10 EICDMO COc1ccc(C[N@H+]2CC[C@H](C)C3(CCCCC3)C2)c(O)c1OC ZINC001181090003 1051145931 /nfs/dbraw/zinc/14/59/31/1051145931.db2.gz XJAILLFVAWYLPW-HNNXBMFYSA-N 1 1 333.472 4.202 20 10 EICDMO COc1cc(C[N@H+]2CCC[C@H](OCC3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC001181088486 1051146905 /nfs/dbraw/zinc/14/69/05/1051146905.db2.gz PGGNNIRRVZVDGN-KRWDZBQOSA-N 1 1 347.499 4.089 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)CCc2ccccc2F)c1O ZINC001190854678 1051295370 /nfs/dbraw/zinc/29/53/70/1051295370.db2.gz JKLXFDCHESHAFD-UHFFFAOYSA-N 1 1 335.806 4.062 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCc2ccccc2F)c1O ZINC001190854678 1051295381 /nfs/dbraw/zinc/29/53/81/1051295381.db2.gz JKLXFDCHESHAFD-UHFFFAOYSA-N 1 1 335.806 4.062 20 10 EICDMO CN(C)c1ccc(C[N@@H+]2CCc3cccc(C(F)(F)F)c3C2)cc1 ZINC001175140401 1051409388 /nfs/dbraw/zinc/40/93/88/1051409388.db2.gz LJPAUUWWDWSJPS-UHFFFAOYSA-N 1 1 334.385 4.330 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CCc3cccc(C(F)(F)F)c3C2)cc1 ZINC001175140401 1051409396 /nfs/dbraw/zinc/40/93/96/1051409396.db2.gz LJPAUUWWDWSJPS-UHFFFAOYSA-N 1 1 334.385 4.330 20 10 EICDMO CC[N@@H+](CCCOC(C)(C)C)Cc1cc(Br)ccc1O ZINC001191268755 1051413522 /nfs/dbraw/zinc/41/35/22/1051413522.db2.gz LRWGABYIPBNYAW-UHFFFAOYSA-N 1 1 344.293 4.182 20 10 EICDMO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC001191276944 1051414445 /nfs/dbraw/zinc/41/44/45/1051414445.db2.gz HMSUJHLPSRUFCP-SFHVURJKSA-N 1 1 329.415 4.187 20 10 EICDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC001191276944 1051414450 /nfs/dbraw/zinc/41/44/50/1051414450.db2.gz HMSUJHLPSRUFCP-SFHVURJKSA-N 1 1 329.415 4.187 20 10 EICDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)C[C@H]1C ZINC001191418187 1051452146 /nfs/dbraw/zinc/45/21/46/1051452146.db2.gz SDYYPGLDVCZTJY-TZIWHRDSSA-N 1 1 343.559 4.290 20 10 EICDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)C[C@H]1C ZINC001191418187 1051452152 /nfs/dbraw/zinc/45/21/52/1051452152.db2.gz SDYYPGLDVCZTJY-TZIWHRDSSA-N 1 1 343.559 4.290 20 10 EICDMO Cc1nc(CC[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)cs1 ZINC000774114765 1051459216 /nfs/dbraw/zinc/45/92/16/1051459216.db2.gz IUROUFNXVOMBSP-QMMMGPOBSA-N 1 1 331.268 4.357 20 10 EICDMO Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774207365 1051500798 /nfs/dbraw/zinc/50/07/98/1051500798.db2.gz JIONZLBDKKCLJC-ZBEGNZNMSA-N 1 1 340.250 4.392 20 10 EICDMO CC(C)[C@H]1[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC12CCCC2 ZINC001182335074 1051518902 /nfs/dbraw/zinc/51/89/02/1051518902.db2.gz SHROEWWJQICZTM-OAQYLSRUSA-N 1 1 342.527 4.048 20 10 EICDMO Oc1cc(F)c(F)cc1C[NH+]1CCC2(CCc3ccccc3C2)CC1 ZINC001182716136 1051683840 /nfs/dbraw/zinc/68/38/40/1051683840.db2.gz URJLPEINJVEXGZ-UHFFFAOYSA-N 1 1 343.417 4.442 20 10 EICDMO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)CCO2 ZINC000775574219 1051875860 /nfs/dbraw/zinc/87/58/60/1051875860.db2.gz OJSOHHMRDMNUDV-APPDUMDISA-N 1 1 349.377 4.244 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1C ZINC000071966768 1051880685 /nfs/dbraw/zinc/88/06/85/1051880685.db2.gz BRDOLMMJURHECG-IBGZPJMESA-N 1 1 331.843 4.236 20 10 EICDMO Oc1c(C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)ccc2ccccc21 ZINC001183662206 1051885315 /nfs/dbraw/zinc/88/53/15/1051885315.db2.gz NMTGECZRBIJEIV-IBGZPJMESA-N 1 1 337.394 4.338 20 10 EICDMO Oc1cc(F)c(F)cc1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC001183788684 1051899403 /nfs/dbraw/zinc/89/94/03/1051899403.db2.gz OLCMYNHKXWGKPB-MRXNPFEDSA-N 1 1 331.362 4.207 20 10 EICDMO CCCC[N@@H+](CCc1ccc2c(c1)CCO2)Cc1ccccc1O ZINC001193837926 1051996342 /nfs/dbraw/zinc/99/63/42/1051996342.db2.gz BHLRIMMIAKXVHG-UHFFFAOYSA-N 1 1 325.452 4.172 20 10 EICDMO CC(C)[C@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1ccc2c(c1)OCCO2 ZINC000184896384 1052296987 /nfs/dbraw/zinc/29/69/87/1052296987.db2.gz GPQRLCBKMNZICI-XCLFUZPHSA-N 1 1 345.414 4.350 20 10 EICDMO CC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1ccc2c(c1)OCCO2 ZINC000185107142 1052434277 /nfs/dbraw/zinc/43/42/77/1052434277.db2.gz GMBHUDPCKYHHQI-MLGOLLRUSA-N 1 1 331.387 4.104 20 10 EICDMO C[C@H]([NH2+]CCCCCC(=O)OC(C)(C)C)c1ccc(F)cc1O ZINC000185597321 1052654279 /nfs/dbraw/zinc/65/42/79/1052654279.db2.gz XRVALZLYCFLOMO-ZDUSSCGKSA-N 1 1 325.424 4.084 20 10 EICDMO C[C@@H](NCC(C)(C)C[NH+](C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000764431873 1053100862 /nfs/dbraw/zinc/10/08/62/1053100862.db2.gz HGNZTBVMRNFONI-MRXNPFEDSA-N 1 1 335.511 4.054 20 10 EICDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@H](C(F)(F)F)[C@H]3C)c2c1 ZINC000794654576 1053252416 /nfs/dbraw/zinc/25/24/16/1053252416.db2.gz DHGQHVFIPKOXPZ-BZNIZROVSA-N 1 1 339.357 4.327 20 10 EICDMO COc1ccc(O)c(C[N@H+](C)Cc2cccc(Cl)c2Cl)c1 ZINC000775642540 1053310026 /nfs/dbraw/zinc/31/00/26/1053310026.db2.gz LSWWMABSXBLNLK-UHFFFAOYSA-N 1 1 326.223 4.340 20 10 EICDMO COc1ccc(O)c(C[N@@H+](C)Cc2cccc(Cl)c2Cl)c1 ZINC000775642540 1053310045 /nfs/dbraw/zinc/31/00/45/1053310045.db2.gz LSWWMABSXBLNLK-UHFFFAOYSA-N 1 1 326.223 4.340 20 10 EICDMO Cn1cc(C[N@@H+](Cc2c(O)ccc3ccccc32)C2CCCC2)cn1 ZINC000111232487 1053663706 /nfs/dbraw/zinc/66/37/06/1053663706.db2.gz QCEYMCYDSWZYBG-UHFFFAOYSA-N 1 1 335.451 4.224 20 10 EICDMO C[N@H+](Cc1ncc(-c2ccc(Cl)cc2)o1)Cc1ccccc1O ZINC000111235306 1053666203 /nfs/dbraw/zinc/66/62/03/1053666203.db2.gz APXNHIVCXQQDQJ-UHFFFAOYSA-N 1 1 328.799 4.333 20 10 EICDMO C[N@@H+](Cc1ncc(-c2ccc(Cl)cc2)o1)Cc1ccccc1O ZINC000111235306 1053666214 /nfs/dbraw/zinc/66/62/14/1053666214.db2.gz APXNHIVCXQQDQJ-UHFFFAOYSA-N 1 1 328.799 4.333 20 10 EICDMO CCOCc1cc(C[NH2+]C2(c3nccs3)CCCC2)ccc1OC ZINC000172077066 1053753549 /nfs/dbraw/zinc/75/35/49/1053753549.db2.gz DSJDAJHERHSBOU-UHFFFAOYSA-N 1 1 346.496 4.247 20 10 EICDMO CC[N@@H+](Cc1ccccc1O)Cc1ccc(C)cc1Br ZINC001137808236 1053777566 /nfs/dbraw/zinc/77/75/66/1053777566.db2.gz DUPHZIGCLYSMCB-UHFFFAOYSA-N 1 1 334.257 4.485 20 10 EICDMO C[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccc(N2CCCCC2)cc1 ZINC000866563401 1053783369 /nfs/dbraw/zinc/78/33/69/1053783369.db2.gz LETVWKMMNYRBJJ-AWEZNQCLSA-N 1 1 348.441 4.199 20 10 EICDMO C[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cccc(C(F)(F)F)c1O ZINC000854228186 1053785904 /nfs/dbraw/zinc/78/59/04/1053785904.db2.gz ZKFXSEXUWSCQRE-QLJPJBMISA-N 1 1 336.357 4.331 20 10 EICDMO Cc1cccc(CNc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)c1O ZINC000775749345 1053801333 /nfs/dbraw/zinc/80/13/33/1053801333.db2.gz HBYFQWOFAPWHDV-INIZCTEOSA-N 1 1 340.467 4.033 20 10 EICDMO C[C@@H]([NH2+]Cc1ncc(Br)s1)c1cc(Cl)ccc1O ZINC000866619357 1053808779 /nfs/dbraw/zinc/80/87/79/1053808779.db2.gz BLOITKDNZNQPBV-SSDOTTSWSA-N 1 1 347.665 4.115 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1C(C)C ZINC000776765928 1053861255 /nfs/dbraw/zinc/86/12/55/1053861255.db2.gz FEJLNPAELBVAKH-OAQYLSRUSA-N 1 1 343.442 4.057 20 10 EICDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000122227412 1053921478 /nfs/dbraw/zinc/92/14/78/1053921478.db2.gz BEVZVZBPRLNFQF-KRWDZBQOSA-N 1 1 347.480 4.030 20 10 EICDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000122227412 1053921490 /nfs/dbraw/zinc/92/14/90/1053921490.db2.gz BEVZVZBPRLNFQF-KRWDZBQOSA-N 1 1 347.480 4.030 20 10 EICDMO C[C@@H]([NH2+]Cc1coc(-c2ccc(F)cc2)n1)c1ccc(N(C)C)cc1 ZINC000775830738 1054095559 /nfs/dbraw/zinc/09/55/59/1054095559.db2.gz MYWFZYVEORPQJQ-CQSZACIVSA-N 1 1 339.414 4.398 20 10 EICDMO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1nnc(-c2cccs2)o1 ZINC000775834187 1054120096 /nfs/dbraw/zinc/12/00/96/1054120096.db2.gz LGAWIWCFBNGUAP-CHWSQXEVSA-N 1 1 342.468 4.276 20 10 EICDMO CN(C)c1ccc(/C=C/C[NH2+]CCC[N@@H+](C)C2CCCCC2)cc1 ZINC001198907875 1054309777 /nfs/dbraw/zinc/30/97/77/1054309777.db2.gz IONZHBOZDMQHIR-VQHVLOKHSA-N 1 1 329.532 4.010 20 10 EICDMO CN(C)c1ccc(/C=C/CNCCC[N@H+](C)C2CCCCC2)cc1 ZINC001198907875 1054309795 /nfs/dbraw/zinc/30/97/95/1054309795.db2.gz IONZHBOZDMQHIR-VQHVLOKHSA-N 1 1 329.532 4.010 20 10 EICDMO CN(C)c1ccc(/C=C/CNCCC[N@@H+](C)C2CCCCC2)cc1 ZINC001198907875 1054309801 /nfs/dbraw/zinc/30/98/01/1054309801.db2.gz IONZHBOZDMQHIR-VQHVLOKHSA-N 1 1 329.532 4.010 20 10 EICDMO CN(C)c1cc(F)c(C[NH2+]Cc2cnccc2C(C)(C)C)cc1F ZINC000858177074 1054431316 /nfs/dbraw/zinc/43/13/16/1054431316.db2.gz LFYNLDJJRODTMZ-UHFFFAOYSA-N 1 1 333.426 4.013 20 10 EICDMO C[C@H](c1ccccc1)[N@H+](Cc1ccccc1O)C[C@@H]1CCCOC1 ZINC000776012352 1054445680 /nfs/dbraw/zinc/44/56/80/1054445680.db2.gz YSIGQOQAOMKUAE-MSOLQXFVSA-N 1 1 325.452 4.382 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@H]2C)c1O ZINC000776013719 1054447697 /nfs/dbraw/zinc/44/76/97/1054447697.db2.gz NWWJCVBDHIDETN-BXKDBHETSA-N 1 1 337.769 4.217 20 10 EICDMO C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000858490527 1054499080 /nfs/dbraw/zinc/49/90/80/1054499080.db2.gz JUZDEMCKRHVVGQ-NEPJUHHUSA-N 1 1 331.287 4.082 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)c1ccns1 ZINC000858576489 1054523600 /nfs/dbraw/zinc/52/36/00/1054523600.db2.gz LGSOMSXDFUAUGS-JGVFFNPUSA-N 1 1 345.237 4.162 20 10 EICDMO OC1CCN(c2ccc(C[N@H+]3CCC[C@H]3c3cccs3)cc2)CC1 ZINC000876544467 1054926909 /nfs/dbraw/zinc/92/69/09/1054926909.db2.gz ULSALUSWBAVENF-IBGZPJMESA-N 1 1 342.508 4.046 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2ccc(C(F)F)nc2)C2CC2)cc1 ZINC000876570763 1054933110 /nfs/dbraw/zinc/93/31/10/1054933110.db2.gz NQTJJSRHUVQSCY-UHFFFAOYSA-N 1 1 331.410 4.250 20 10 EICDMO Cc1cccc(O)c1C[N@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000877336610 1055043042 /nfs/dbraw/zinc/04/30/42/1055043042.db2.gz LCBOETKVNHNHCW-PXNSSMCTSA-N 1 1 329.415 4.192 20 10 EICDMO CN(C)c1ccc(CNCC[NH+]2CCC3(CCCCC3)CC2)cc1F ZINC001202142669 1055049326 /nfs/dbraw/zinc/04/93/26/1055049326.db2.gz LHBDFLRVWJMXGV-UHFFFAOYSA-N 1 1 347.522 4.028 20 10 EICDMO CCc1noc(C)c1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000119057032 1055104051 /nfs/dbraw/zinc/10/40/51/1055104051.db2.gz YHZOFLLQOHZFIL-UHFFFAOYSA-N 1 1 326.396 4.046 20 10 EICDMO CCc1noc(C)c1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000119057032 1055104066 /nfs/dbraw/zinc/10/40/66/1055104066.db2.gz YHZOFLLQOHZFIL-UHFFFAOYSA-N 1 1 326.396 4.046 20 10 EICDMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)[C@H](C)CO1 ZINC000742167426 1058529766 /nfs/dbraw/zinc/52/97/66/1058529766.db2.gz FVSRFMNRVBUXCS-ZHRRBRCNSA-N 1 1 337.463 4.151 20 10 EICDMO Clc1ccc2c(c1Cl)OC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000742383100 1058582536 /nfs/dbraw/zinc/58/25/36/1058582536.db2.gz JMHJDMJVXCIFKQ-AWEZNQCLSA-N 1 1 336.218 4.152 20 10 EICDMO O=C(Nc1ccc(N=Nc2ccccc2)cc1)N1CC[NH+](C2CC2)CC1 ZINC000743064862 1058858992 /nfs/dbraw/zinc/85/89/92/1058858992.db2.gz VHWBDEWSHGLNRX-UHFFFAOYSA-N 1 1 349.438 4.414 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000743870155 1059189931 /nfs/dbraw/zinc/18/99/31/1059189931.db2.gz JIUGYGQTFULKRB-MRXNPFEDSA-N 1 1 340.467 4.194 20 10 EICDMO Cc1ccc([C@@H](C)[NH2+]CC[C@@H](C)N(C)Cc2ccccc2)c(O)c1 ZINC000379627300 1059649367 /nfs/dbraw/zinc/64/93/67/1059649367.db2.gz HUAXTOVWLJUSJH-QZTJIDSGSA-N 1 1 326.484 4.262 20 10 EICDMO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(Br)c2O)s1 ZINC000049162387 538140853 /nfs/dbraw/zinc/14/08/53/538140853.db2.gz DHEJRSCIPPJYPT-SNVBAGLBSA-N 1 1 326.259 4.375 20 10 EICDMO COc1ccccc1[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccco1 ZINC000180931475 1032631757 /nfs/dbraw/zinc/63/17/57/1032631757.db2.gz OBRLOUCQDLCHEA-LJQANCHMSA-N 1 1 327.355 4.012 20 10 EICDMO CC[C@@H]([NH2+][C@H](c1nccn1C)c1ccc(F)cc1)c1ccccc1O ZINC000155044528 1020204338 /nfs/dbraw/zinc/20/43/38/1020204338.db2.gz OUIDWRALMPNBMX-MJGOQNOKSA-N 1 1 339.414 4.095 20 10 EICDMO Oc1c(Br)cccc1C[NH2+]Cc1ccc(Cl)cc1 ZINC000042411850 1020237372 /nfs/dbraw/zinc/23/73/72/1020237372.db2.gz MRRROZGMYMDBQT-UHFFFAOYSA-N 1 1 326.621 4.098 20 10 EICDMO Cc1cc(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)ccc1N(C)C ZINC001167122920 1020260939 /nfs/dbraw/zinc/26/09/39/1020260939.db2.gz MRJVNOIYCGNXBI-HXUWFJFHSA-N 1 1 326.459 4.407 20 10 EICDMO Cc1cc(C[N@@H+]2CCN(C)c3ccccc3C2)ccc1N1CCCCC1 ZINC001167310750 1021032089 /nfs/dbraw/zinc/03/20/89/1021032089.db2.gz YYFCJNDMYLDVLJ-UHFFFAOYSA-N 1 1 349.522 4.437 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1cc(Br)c(F)cc1O ZINC000756345704 1022175985 /nfs/dbraw/zinc/17/59/85/1022175985.db2.gz ZUWZQEWCYFHLIT-ZJUUUORDSA-N 1 1 339.208 4.101 20 10 EICDMO C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000310905356 1022574036 /nfs/dbraw/zinc/57/40/36/1022574036.db2.gz BUFPZXDHOOSJSS-XYJFISCASA-N 1 1 342.458 4.093 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1cnn(C2CCC2)c1)Cc1ccco1 ZINC000891394999 1023200457 /nfs/dbraw/zinc/20/04/57/1023200457.db2.gz UDQPMKMMGKUUEM-UHFFFAOYSA-N 1 1 337.423 4.109 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1cnn(C2CCC2)c1)Cc1ccco1 ZINC000891394999 1023200474 /nfs/dbraw/zinc/20/04/74/1023200474.db2.gz UDQPMKMMGKUUEM-UHFFFAOYSA-N 1 1 337.423 4.109 20 10 EICDMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1nccn1-c1ccccc1 ZINC000376788910 1023312654 /nfs/dbraw/zinc/31/26/54/1023312654.db2.gz UFNPFQZDWCCIPS-KBPBESRZSA-N 1 1 325.387 4.129 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+]C1CCN(c2cccs2)CC1 ZINC000191309789 1023536320 /nfs/dbraw/zinc/53/63/20/1023536320.db2.gz LVYJZOMUVQVQDA-UHFFFAOYSA-N 1 1 340.851 4.005 20 10 EICDMO Cc1cccc(C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)c1O ZINC000276975193 1024851883 /nfs/dbraw/zinc/85/18/83/1024851883.db2.gz DLWIVWKUGFQPJH-UHFFFAOYSA-N 1 1 329.415 4.021 20 10 EICDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](CC)c2ccc(N(C)C)cc2)[nH]1 ZINC000277358382 1025801472 /nfs/dbraw/zinc/80/14/72/1025801472.db2.gz WFKGMQPGKQODRC-VBQJREDUSA-N 1 1 329.492 4.186 20 10 EICDMO COc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2c2ccccc2)c(O)c1OC ZINC000894611722 1026255055 /nfs/dbraw/zinc/25/50/55/1026255055.db2.gz YXKUUUDERDMRSL-FQEVSTJZSA-N 1 1 339.435 4.137 20 10 EICDMO CC(C)[N@H+]1CCCC[C@H]1CN(Cc1ccco1)Cc1ccccc1O ZINC001167982293 1026390195 /nfs/dbraw/zinc/39/01/95/1026390195.db2.gz BTSCTQMMLGSOLC-IBGZPJMESA-N 1 1 342.483 4.250 20 10 EICDMO CCc1cc(N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)nc(C)[nH+]1 ZINC000302032274 1027193487 /nfs/dbraw/zinc/19/34/87/1027193487.db2.gz CNONAEGEJJEMOI-UHFFFAOYSA-N 1 1 336.414 4.262 20 10 EICDMO C[C@H]([NH2+]Cc1sccc1Br)c1ccc(F)cc1O ZINC000148037217 1027839569 /nfs/dbraw/zinc/83/95/69/1027839569.db2.gz CHHZHRBZAHOZEY-QMMMGPOBSA-N 1 1 330.222 4.206 20 10 EICDMO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cc(Cl)c(Cl)cc1O ZINC000278240313 1028660533 /nfs/dbraw/zinc/66/05/33/1028660533.db2.gz LFBNPYNHVPPADJ-YMTOWFKASA-N 1 1 340.254 4.161 20 10 EICDMO CC[N@@H+](Cc1cc(Cl)c(F)cc1O)C[C@H](O)c1ccc(C)cc1 ZINC001204608013 1028807230 /nfs/dbraw/zinc/80/72/30/1028807230.db2.gz CKAITKWIPHFDLN-SFHVURJKSA-N 1 1 337.822 4.049 20 10 EICDMO CC[N@H+](Cc1cc(Cl)c(F)cc1O)C[C@H](O)c1ccc(C)cc1 ZINC001204608013 1028807232 /nfs/dbraw/zinc/80/72/32/1028807232.db2.gz CKAITKWIPHFDLN-SFHVURJKSA-N 1 1 337.822 4.049 20 10 EICDMO C[C@H]1CCCN(c2ccc(C[NH2+]Cc3cscn3)cc2Cl)C1 ZINC000281871604 1028902993 /nfs/dbraw/zinc/90/29/93/1028902993.db2.gz CRPFLJNHYYDPDM-ZDUSSCGKSA-N 1 1 335.904 4.323 20 10 EICDMO CC[C@@H](c1ccccc1O)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000367317020 1029337574 /nfs/dbraw/zinc/33/75/74/1029337574.db2.gz GZEWFWDIUVFSHL-LPHOPBHVSA-N 1 1 339.483 4.256 20 10 EICDMO CC[C@@H]([NH2+][C@H]1CCCn2nc(C(C)C)nc21)c1ccc(N(C)C)cc1 ZINC000167977458 1029647075 /nfs/dbraw/zinc/64/70/75/1029647075.db2.gz YSFDFWLNHKJDAB-MSOLQXFVSA-N 1 1 341.503 4.043 20 10 EICDMO COc1ccccc1[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccccn1 ZINC000183631885 1030026267 /nfs/dbraw/zinc/02/62/67/1030026267.db2.gz GYFLZCDTLCKBHX-YCRPNKLZSA-N 1 1 334.419 4.236 20 10 EICDMO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)c1nc(-c2ccccc2)no1 ZINC000186192333 1030256146 /nfs/dbraw/zinc/25/61/46/1030256146.db2.gz GDVPMDZJIVREGU-STQMWFEESA-N 1 1 341.386 4.036 20 10 EICDMO Oc1c(Br)cccc1C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000527773104 1030851842 /nfs/dbraw/zinc/85/18/42/1030851842.db2.gz OZJHFLKVJNQMBJ-INIZCTEOSA-N 1 1 347.256 4.181 20 10 EICDMO C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001168187383 1030883950 /nfs/dbraw/zinc/88/39/50/1030883950.db2.gz GCJZFNORYXUPRY-ZDUSSCGKSA-N 1 1 331.843 4.131 20 10 EICDMO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC000310890156 1031091161 /nfs/dbraw/zinc/09/11/61/1031091161.db2.gz KHWGFWWBROGWSV-PGRDOPGGSA-N 1 1 338.495 4.263 20 10 EICDMO CC[C@@H]([NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1)c1ccccc1O ZINC000310942356 1031945165 /nfs/dbraw/zinc/94/51/65/1031945165.db2.gz WOHGNINCJZPJFJ-IFMALSPDSA-N 1 1 338.495 4.345 20 10 EICDMO CC(C)Cn1ccnc1C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000164745421 1036342534 /nfs/dbraw/zinc/34/25/34/1036342534.db2.gz GCPSBBVCLBOVDP-SFHVURJKSA-N 1 1 340.515 4.380 20 10 EICDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2cc(C)cc(OC)c2O)cc1 ZINC000761294459 1036820589 /nfs/dbraw/zinc/82/05/89/1036820589.db2.gz ONVISRUGKLDGBX-MRXNPFEDSA-N 1 1 343.467 4.028 20 10 EICDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2cc(C)cc(OC)c2O)cc1 ZINC000761294458 1036820996 /nfs/dbraw/zinc/82/09/96/1036820996.db2.gz ONVISRUGKLDGBX-INIZCTEOSA-N 1 1 343.467 4.028 20 10 EICDMO Cc1ccc([C@H](C)[NH2+][C@@H](c2nccn2C)c2ccc(F)cc2)c(O)c1 ZINC000273401622 1037452089 /nfs/dbraw/zinc/45/20/89/1037452089.db2.gz NEKCRMYIEVBKTA-IFXJQAMLSA-N 1 1 339.414 4.013 20 10 EICDMO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](c2nccn2C)c2ccc(F)cc2)c1 ZINC000273419026 1037460833 /nfs/dbraw/zinc/46/08/33/1037460833.db2.gz ROVXDHCJJNMCSH-IFXJQAMLSA-N 1 1 339.414 4.013 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000273556944 1037506823 /nfs/dbraw/zinc/50/68/23/1037506823.db2.gz ZQGIAGYVQHHOLA-NHCUHLMSSA-N 1 1 342.458 4.244 20 10 EICDMO COc1ccc(N2CCC[N@H+]([C@@H](C)c3cccc(F)c3)CC2)cc1 ZINC000108409829 1041732970 /nfs/dbraw/zinc/73/29/70/1041732970.db2.gz KNGOZXJYTVFACO-INIZCTEOSA-N 1 1 328.431 4.108 20 10 EICDMO CC[C@](C)([NH2+]Cc1cccc(Br)c1O)c1nccs1 ZINC000152611017 1042920566 /nfs/dbraw/zinc/92/05/66/1042920566.db2.gz ULMWMCFEZALUOE-AWEZNQCLSA-N 1 1 341.274 4.026 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2ncc(C)c(OC)c2C)cc1 ZINC000727588826 1043238825 /nfs/dbraw/zinc/23/88/25/1043238825.db2.gz XATHZEQUMNAWSQ-UHFFFAOYSA-N 1 1 341.499 4.185 20 10 EICDMO COC(=O)c1cc(C[N@@H+](Cc2ccccc2O)C2CCCC2)c(C)o1 ZINC000731846452 1043834896 /nfs/dbraw/zinc/83/48/96/1043834896.db2.gz ZPPNBDLBXNSEBZ-UHFFFAOYSA-N 1 1 343.423 4.025 20 10 EICDMO CCN(C(=O)C[N@H+](C)Cc1ccccc1O)c1cccc2ccccc21 ZINC000731843551 1043836479 /nfs/dbraw/zinc/83/64/79/1043836479.db2.gz PZWBGNVAWBCHHO-UHFFFAOYSA-N 1 1 348.446 4.030 20 10 EICDMO CCN(C(=O)C[N@@H+](C)Cc1ccccc1O)c1cccc2ccccc21 ZINC000731843551 1043836480 /nfs/dbraw/zinc/83/64/80/1043836480.db2.gz PZWBGNVAWBCHHO-UHFFFAOYSA-N 1 1 348.446 4.030 20 10 EICDMO CC[C@@H]1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C[C@@H](C)O1 ZINC000732184034 1043882075 /nfs/dbraw/zinc/88/20/75/1043882075.db2.gz DLXOFCQFJJDIPX-ZIAGYGMSSA-N 1 1 329.440 4.017 20 10 EICDMO CC[C@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C[C@@H](C)O1 ZINC000732186116 1043884630 /nfs/dbraw/zinc/88/46/30/1043884630.db2.gz XUOGHSOECXXCHW-HIFRSBDPSA-N 1 1 325.408 4.291 20 10 EICDMO Oc1ccccc1C[N@H+](C[C@H](O)c1ccc(F)cc1F)C1CCCC1 ZINC000732204248 1043887267 /nfs/dbraw/zinc/88/72/67/1043887267.db2.gz GTXIGELLCIUCSS-FQEVSTJZSA-N 1 1 347.405 4.149 20 10 EICDMO COc1ccc(Cl)cc1C[N@@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000732556239 1043961380 /nfs/dbraw/zinc/96/13/80/1043961380.db2.gz NDZUDFJYEHZSLA-UHFFFAOYSA-N 1 1 331.843 4.175 20 10 EICDMO C[N@H+](Cc1cc[nH]n1)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000732669857 1043982152 /nfs/dbraw/zinc/98/21/52/1043982152.db2.gz MVKMEEYXVOWNLL-UHFFFAOYSA-N 1 1 329.488 4.342 20 10 EICDMO C[N@@H+](Cc1cc[nH]n1)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000732669857 1043982160 /nfs/dbraw/zinc/98/21/60/1043982160.db2.gz MVKMEEYXVOWNLL-UHFFFAOYSA-N 1 1 329.488 4.342 20 10 EICDMO Oc1c(F)cccc1C[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000702884630 1044028050 /nfs/dbraw/zinc/02/80/50/1044028050.db2.gz XDZROLSEUNGNBF-UHFFFAOYSA-N 1 1 329.415 4.008 20 10 EICDMO CC(C)CCc1noc(C[N@@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000733613805 1044268271 /nfs/dbraw/zinc/26/82/71/1044268271.db2.gz MDGBGEPGUUYXES-UHFFFAOYSA-N 1 1 343.471 4.309 20 10 EICDMO Oc1ccccc1C[N@@H+](CCSc1ccccc1)C[C@@H]1CCCO1 ZINC000735494326 1044831932 /nfs/dbraw/zinc/83/19/32/1044831932.db2.gz XXYQEUXZSRFAPD-SFHVURJKSA-N 1 1 343.492 4.166 20 10 EICDMO Cc1csc(C[NH2+]Cc2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC000915225564 1045197016 /nfs/dbraw/zinc/19/70/16/1045197016.db2.gz YZHMVIGEIXXQBG-UHFFFAOYSA-N 1 1 325.481 4.457 20 10 EICDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)C1(C)C ZINC000740862194 1045231840 /nfs/dbraw/zinc/23/18/40/1045231840.db2.gz AJAHNISCUBTEMX-SJORKVTESA-N 1 1 335.488 4.031 20 10 EICDMO c1ccc([C@H]2CCCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000762795827 1045353260 /nfs/dbraw/zinc/35/32/60/1045353260.db2.gz ZCOIKRJPJMVOMD-JOCHJYFZSA-N 1 1 336.479 4.250 20 10 EICDMO COc1ccccc1C1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000790955753 1045637165 /nfs/dbraw/zinc/63/71/65/1045637165.db2.gz XYGVGSHDBSBZBC-UHFFFAOYSA-N 1 1 335.806 4.015 20 10 EICDMO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790991339 1045646504 /nfs/dbraw/zinc/64/65/04/1045646504.db2.gz VBFRFXMUQJFNPQ-QGHHPUGFSA-N 1 1 341.785 4.190 20 10 EICDMO CC(C)(C)c1nc(CC[NH2+]Cc2c(O)ccc(Cl)c2F)cs1 ZINC000790981410 1045667314 /nfs/dbraw/zinc/66/73/14/1045667314.db2.gz KUGDDUSDFWAHAY-UHFFFAOYSA-N 1 1 342.867 4.271 20 10 EICDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(OC(F)F)cc2)c(O)c1 ZINC000768160780 1045728472 /nfs/dbraw/zinc/72/84/72/1045728472.db2.gz PPDLXRVHRCQDQU-UHFFFAOYSA-N 1 1 337.366 4.024 20 10 EICDMO C[C@@H]1C[C@H]1c1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000768163588 1045730592 /nfs/dbraw/zinc/73/05/92/1045730592.db2.gz ZVEQHUUYSRIBMJ-HHXXYDBFSA-N 1 1 341.451 4.290 20 10 EICDMO Cc1cc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)ccc1F ZINC000768161611 1045731798 /nfs/dbraw/zinc/73/17/98/1045731798.db2.gz IBFRECQBVDDPAF-SFHVURJKSA-N 1 1 329.415 4.021 20 10 EICDMO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cc(Cl)ccc1O ZINC000768169066 1045734768 /nfs/dbraw/zinc/73/47/68/1045734768.db2.gz DNCWCGWZWZOUHU-UHFFFAOYSA-N 1 1 346.858 4.205 20 10 EICDMO COc1ccc2cc(C[N@@H+](C)Cc3cccc(OC)c3O)ccc2c1 ZINC000768202880 1045739336 /nfs/dbraw/zinc/73/93/36/1045739336.db2.gz CNMFWAZIUAWAPX-UHFFFAOYSA-N 1 1 337.419 4.195 20 10 EICDMO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1cccc(Br)c1O ZINC000768216218 1045755520 /nfs/dbraw/zinc/75/55/20/1045755520.db2.gz RUGLXYMXFDSQFM-LLVKDONJSA-N 1 1 338.220 4.487 20 10 EICDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1cccc(Br)c1O ZINC000768216218 1045755539 /nfs/dbraw/zinc/75/55/39/1045755539.db2.gz RUGLXYMXFDSQFM-LLVKDONJSA-N 1 1 338.220 4.487 20 10 EICDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(Cl)ccc2O)cc1OC ZINC000768231997 1045759902 /nfs/dbraw/zinc/75/99/02/1045759902.db2.gz XQCXRDAUZIMORT-INIZCTEOSA-N 1 1 347.842 4.400 20 10 EICDMO Cc1cc(C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)ccc1N(C)C ZINC000768231651 1045761529 /nfs/dbraw/zinc/76/15/29/1045761529.db2.gz OXIGUOYZNJTZFS-LLVKDONJSA-N 1 1 343.418 4.387 20 10 EICDMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000768275187 1045777031 /nfs/dbraw/zinc/77/70/31/1045777031.db2.gz BDVHGOFMGCLPRV-GHMZBOCLSA-N 1 1 337.414 4.342 20 10 EICDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2c(O)cccc2Cl)C2CC2)cc1 ZINC000768337574 1045792076 /nfs/dbraw/zinc/79/20/76/1045792076.db2.gz UNVGCMFGLVPFLT-UHFFFAOYSA-N 1 1 332.787 4.118 20 10 EICDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2c(O)cccc2Cl)C2CC2)cc1 ZINC000768337574 1045792090 /nfs/dbraw/zinc/79/20/90/1045792090.db2.gz UNVGCMFGLVPFLT-UHFFFAOYSA-N 1 1 332.787 4.118 20 10 EICDMO Cc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000768316340 1045793320 /nfs/dbraw/zinc/79/33/20/1045793320.db2.gz CTFOSKJSVYBJLR-JOCHJYFZSA-N 1 1 336.479 4.169 20 10 EICDMO COc1cc(O)c(C[N@H+]2C[C@@H](c3ccccc3C)C[C@H]2C)cc1OC ZINC000768444389 1045807067 /nfs/dbraw/zinc/80/70/67/1045807067.db2.gz AQXZAYXHVKNPLV-CVEARBPZSA-N 1 1 341.451 4.096 20 10 EICDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(OC)c(C)cc2O)cc1 ZINC000768440822 1045807312 /nfs/dbraw/zinc/80/73/12/1045807312.db2.gz FITFDDFVLRPNLD-GOSISDBHSA-N 1 1 327.424 4.055 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cc1OC ZINC000768447067 1045808183 /nfs/dbraw/zinc/80/81/83/1045808183.db2.gz MBFZSFGZMQDNCA-INIZCTEOSA-N 1 1 349.377 4.025 20 10 EICDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)C[C@H](c2ccsc2)O1 ZINC000768465336 1045810914 /nfs/dbraw/zinc/81/09/14/1045810914.db2.gz ZQSKZGNSWAZESQ-VBKZILBWSA-N 1 1 343.492 4.295 20 10 EICDMO COc1cc(O)c(C[N@@H+](C)CC(C)(C)c2ccc(C)cc2)cc1OC ZINC000768464849 1045811153 /nfs/dbraw/zinc/81/11/53/1045811153.db2.gz BQBUYRGXQMIDRF-UHFFFAOYSA-N 1 1 343.467 4.127 20 10 EICDMO COc1cc(Br)cc(C[N@@H+](CC(C)C)C(C)C)c1O ZINC000768780133 1045841360 /nfs/dbraw/zinc/84/13/60/1045841360.db2.gz LIXFSBSGHMQMPD-UHFFFAOYSA-N 1 1 330.266 4.030 20 10 EICDMO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000247222347 1045842491 /nfs/dbraw/zinc/84/24/91/1045842491.db2.gz WKJOSKBXYOORTC-QAPCUYQASA-N 1 1 341.503 4.043 20 10 EICDMO [O-]c1ccc(Cl)c(F)c1C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000792164737 1045870418 /nfs/dbraw/zinc/87/04/18/1045870418.db2.gz DHVYYRKAVKBXMC-KRWDZBQOSA-N 1 1 349.833 4.057 20 10 EICDMO OCCC[N@H+](Cc1c(O)ccc(Cl)c1F)[C@H]1CCc2ccccc21 ZINC000792164737 1045870423 /nfs/dbraw/zinc/87/04/23/1045870423.db2.gz DHVYYRKAVKBXMC-KRWDZBQOSA-N 1 1 349.833 4.057 20 10 EICDMO OCCC[N@@H+](Cc1c(O)ccc(Cl)c1F)[C@H]1CCc2ccccc21 ZINC000792164737 1045870426 /nfs/dbraw/zinc/87/04/26/1045870426.db2.gz DHVYYRKAVKBXMC-KRWDZBQOSA-N 1 1 349.833 4.057 20 10 EICDMO CCN(C)c1ccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)cn1 ZINC000792167538 1045872051 /nfs/dbraw/zinc/87/20/51/1045872051.db2.gz JQSAJNVAHDNBTP-UHFFFAOYSA-N 1 1 339.483 4.188 20 10 EICDMO COc1ccc(N2CCC[N@@H+](C[C@H]3C[C@H]3c3ccccc3)CC2)cc1 ZINC000768999151 1045875056 /nfs/dbraw/zinc/87/50/56/1045875056.db2.gz UJXMZPUCQNPPOD-KNQAVFIVSA-N 1 1 336.479 4.011 20 10 EICDMO C[C@H](c1ccco1)[N@@H+](Cc1cc(Br)ccc1O)C1CC1 ZINC000769102542 1045878832 /nfs/dbraw/zinc/87/88/32/1045878832.db2.gz PFVGCQCXXBVUFQ-LLVKDONJSA-N 1 1 336.229 4.473 20 10 EICDMO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000248744248 1045883808 /nfs/dbraw/zinc/88/38/08/1045883808.db2.gz APWDYBNPBDKVIS-KJRLAJNESA-N 1 1 330.255 4.307 20 10 EICDMO CC[C@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1ccc(F)cc1O ZINC000796942580 1045887822 /nfs/dbraw/zinc/88/78/22/1045887822.db2.gz UTCCWKRFSJEJLM-WMZOPIPTSA-N 1 1 337.822 4.133 20 10 EICDMO CCOc1cccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000769383753 1045941602 /nfs/dbraw/zinc/94/16/02/1045941602.db2.gz IFAFWKMNJMABAJ-UHFFFAOYSA-N 1 1 326.440 4.131 20 10 EICDMO CCOc1cccc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)c1O ZINC000769426163 1045960524 /nfs/dbraw/zinc/96/05/24/1045960524.db2.gz NDHQXCIRXWFOHM-GOSISDBHSA-N 1 1 329.465 4.081 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000769428827 1045963198 /nfs/dbraw/zinc/96/31/98/1045963198.db2.gz UMCIXDLEHQLZCW-SFHVURJKSA-N 1 1 333.378 4.406 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000769487405 1045972633 /nfs/dbraw/zinc/97/26/33/1045972633.db2.gz WRPOCLMMVWQWPB-QFIPXVFZSA-N 1 1 337.463 4.452 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CCCC3(CCOCC3)C2)cc1F ZINC000769446731 1045975430 /nfs/dbraw/zinc/97/54/30/1045975430.db2.gz SVMUAZVJQJPOOW-UHFFFAOYSA-N 1 1 334.479 4.065 20 10 EICDMO CC[C@@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1ccc(F)cc1O ZINC000796943012 1045982946 /nfs/dbraw/zinc/98/29/46/1045982946.db2.gz WVFCVMPEMCEFJW-AEFFLSMTSA-N 1 1 337.822 4.133 20 10 EICDMO Oc1ccc(Br)cc1C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000769499926 1045996769 /nfs/dbraw/zinc/99/67/69/1045996769.db2.gz XTYKGXTYRPOKEI-HIFRSBDPSA-N 1 1 342.302 4.015 20 10 EICDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(N(C)C)cc1)CCC2 ZINC000769515439 1046006438 /nfs/dbraw/zinc/00/64/38/1046006438.db2.gz SRIMYAUGNFZUFF-KRWDZBQOSA-N 1 1 329.513 4.281 20 10 EICDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cc(Br)ccc2O)C1 ZINC000769550412 1046018817 /nfs/dbraw/zinc/01/88/17/1046018817.db2.gz RWFSFEUWNFVOTN-KGLIPLIRSA-N 1 1 344.318 4.261 20 10 EICDMO Cc1ccc(-n2cnc3c2CC[N@H+](Cc2cc(C)c(C)cc2O)C3)cc1 ZINC000792706526 1046057146 /nfs/dbraw/zinc/05/71/46/1046057146.db2.gz CJAJNAGWPYFSND-UHFFFAOYSA-N 1 1 347.462 4.061 20 10 EICDMO Cc1ccc(-n2cnc3c2CC[N@@H+](Cc2cc(C)c(C)cc2O)C3)cc1 ZINC000792706526 1046057165 /nfs/dbraw/zinc/05/71/65/1046057165.db2.gz CJAJNAGWPYFSND-UHFFFAOYSA-N 1 1 347.462 4.061 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000770281832 1046167996 /nfs/dbraw/zinc/16/79/96/1046167996.db2.gz XECXFKRNBDEBGY-QGZVFWFLSA-N 1 1 328.481 4.052 20 10 EICDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000770312037 1046177049 /nfs/dbraw/zinc/17/70/49/1046177049.db2.gz HQSRMBVRRLQWFZ-NRFANRHFSA-N 1 1 347.462 4.438 20 10 EICDMO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000770327124 1046181002 /nfs/dbraw/zinc/18/10/02/1046181002.db2.gz LKYYKZPLRPAOFD-HNAYVOBHSA-N 1 1 349.833 4.273 20 10 EICDMO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000770327116 1046181033 /nfs/dbraw/zinc/18/10/33/1046181033.db2.gz LKYYKZPLRPAOFD-BEFAXECRSA-N 1 1 349.833 4.273 20 10 EICDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)c1 ZINC000793571488 1046306460 /nfs/dbraw/zinc/30/64/60/1046306460.db2.gz RBAYFELJNFJTDR-LJQANCHMSA-N 1 1 340.467 4.373 20 10 EICDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC(C)(C)[C@H]2c2cccnc2)c1 ZINC000793571488 1046306478 /nfs/dbraw/zinc/30/64/78/1046306478.db2.gz RBAYFELJNFJTDR-LJQANCHMSA-N 1 1 340.467 4.373 20 10 EICDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000771628126 1046460610 /nfs/dbraw/zinc/46/06/10/1046460610.db2.gz DWXGECJLSNMSRD-KRWDZBQOSA-N 1 1 347.499 4.235 20 10 EICDMO Cc1cccn2c(C[N@H+](C)Cc3ccc(N4CCCCC4)cc3)cnc12 ZINC000771935114 1046529914 /nfs/dbraw/zinc/52/99/14/1046529914.db2.gz IQAUMUZAVLTQGG-UHFFFAOYSA-N 1 1 348.494 4.265 20 10 EICDMO Oc1ccc2oc3c(c2c1C[N@H+]1CCO[C@@H]2CCCC[C@H]21)CCCC3 ZINC000917472976 1046897186 /nfs/dbraw/zinc/89/71/86/1046897186.db2.gz LNUHRHQDCYPHCH-VQIMIIECSA-N 1 1 341.451 4.161 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139454 1047131919 /nfs/dbraw/zinc/13/19/19/1047131919.db2.gz ASUKPLXDARAOGE-NVBFEUDRSA-N 1 1 331.287 4.222 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139454 1047131924 /nfs/dbraw/zinc/13/19/24/1047131924.db2.gz ASUKPLXDARAOGE-NVBFEUDRSA-N 1 1 331.287 4.222 20 10 EICDMO CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806131121 1047154989 /nfs/dbraw/zinc/15/49/89/1047154989.db2.gz GOGRYKFUGFLXFD-IAQYHMDHSA-N 1 1 331.287 4.082 20 10 EICDMO C[C@@H]([NH2+]CCSC(F)(F)F)c1cccc(C(F)(F)F)c1O ZINC000788557623 1047223420 /nfs/dbraw/zinc/22/34/20/1047223420.db2.gz NSUJTBXUQAVMLZ-SSDOTTSWSA-N 1 1 333.297 4.315 20 10 EICDMO CN1CCCc2cc(C[NH2+][C@@H]3COCc4cccc(Cl)c43)ccc21 ZINC000788583534 1047238118 /nfs/dbraw/zinc/23/81/18/1047238118.db2.gz LSTJPFKAVZOBTN-GOSISDBHSA-N 1 1 342.870 4.084 20 10 EICDMO C[C@@H]([NH2+]CCc1ccc(O)cc1)c1cccc(C(F)(F)F)c1O ZINC000788647932 1047247047 /nfs/dbraw/zinc/24/70/47/1047247047.db2.gz NVKJWKYRQBWRNH-LLVKDONJSA-N 1 1 325.330 4.010 20 10 EICDMO Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788671640 1047270605 /nfs/dbraw/zinc/27/06/05/1047270605.db2.gz NAVLYFOBANJNRO-NXEZZACHSA-N 1 1 342.361 4.470 20 10 EICDMO C[C@H]([NH2+]CCC[C@H]1CCCCO1)c1cccc(C(F)(F)F)c1O ZINC000788752909 1047287385 /nfs/dbraw/zinc/28/73/85/1047287385.db2.gz XPWHPVXDQBTUHZ-QWHCGFSZSA-N 1 1 331.378 4.411 20 10 EICDMO C[C@@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1cccc(C(F)(F)F)c1O ZINC000788776501 1047312942 /nfs/dbraw/zinc/31/29/42/1047312942.db2.gz OVSFBXMURSHKKA-TZMCWYRMSA-N 1 1 342.405 4.079 20 10 EICDMO C[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cccc(C(F)(F)F)c1O ZINC000788817775 1047318623 /nfs/dbraw/zinc/31/86/23/1047318623.db2.gz NBFWRLSWMFCPKK-LLVKDONJSA-N 1 1 349.356 4.181 20 10 EICDMO COc1ccc(N2CCC[N@H+]([C@H](C)c3ccc(F)c(F)c3)CC2)cc1 ZINC000918739087 1047632180 /nfs/dbraw/zinc/63/21/80/1047632180.db2.gz VHDZLOQCQBAUAL-OAHLLOKOSA-N 1 1 346.421 4.247 20 10 EICDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000918762844 1047647032 /nfs/dbraw/zinc/64/70/32/1047647032.db2.gz BPDJLUQWBAJZKA-INIZCTEOSA-N 1 1 344.886 4.370 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1cccc(C2CC2)c1 ZINC000824462643 1047877467 /nfs/dbraw/zinc/87/74/67/1047877467.db2.gz JQKXIKXCDSOKFT-GOSISDBHSA-N 1 1 349.522 4.167 20 10 EICDMO COC[C@]1(C)CC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000824582935 1047892675 /nfs/dbraw/zinc/89/26/75/1047892675.db2.gz DVWJMMOOUMCBEH-HXUWFJFHSA-N 1 1 344.524 4.243 20 10 EICDMO Cc1csc(C[NH2+]Cc2cc(C)cc(Br)c2O)c1 ZINC000824751394 1047939162 /nfs/dbraw/zinc/93/91/62/1047939162.db2.gz VCZKYNGTLNJKQQ-UHFFFAOYSA-N 1 1 326.259 4.123 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)c1O ZINC000824714672 1047909788 /nfs/dbraw/zinc/90/97/88/1047909788.db2.gz DUOKIRRTYZIWHC-ONGXEEELSA-N 1 1 337.769 4.217 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1Cl ZINC000824926829 1047997230 /nfs/dbraw/zinc/99/72/30/1047997230.db2.gz HXENCMZUIBHOPM-YOEHRIQHSA-N 1 1 335.831 4.035 20 10 EICDMO CC(C)[N@@H+](CC[C@H](O)c1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000808710784 1048059406 /nfs/dbraw/zinc/05/94/06/1048059406.db2.gz ODUSTACOTIRFFF-NRFANRHFSA-N 1 1 326.484 4.087 20 10 EICDMO CC[C@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)c1ccc(F)cc1O ZINC000808727978 1048075716 /nfs/dbraw/zinc/07/57/16/1048075716.db2.gz NDIHIOQXEAKRQW-IMFGXOCKSA-N 1 1 329.415 4.492 20 10 EICDMO CO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)cs1 ZINC000808701393 1048080710 /nfs/dbraw/zinc/08/07/10/1048080710.db2.gz WPSKAVZKPHCCFF-QWRGUYRKSA-N 1 1 340.876 4.369 20 10 EICDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(OC)c(F)c1F ZINC001143916693 1048300508 /nfs/dbraw/zinc/30/05/08/1048300508.db2.gz SVJCTCXTGGNWDE-UHFFFAOYSA-N 1 1 334.410 4.062 20 10 EICDMO Cc1cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)ccc1N(C)C ZINC000815060998 1048312230 /nfs/dbraw/zinc/31/22/30/1048312230.db2.gz XNPYADFBPWPQPM-IEBWSBKVSA-N 1 1 344.524 4.211 20 10 EICDMO Cc1cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)ccc1N(C)C ZINC000815060999 1048314095 /nfs/dbraw/zinc/31/40/95/1048314095.db2.gz XNPYADFBPWPQPM-MJGOQNOKSA-N 1 1 344.524 4.211 20 10 EICDMO COc1cccc(C[N@@H+]2C[C@H](C)CC[C@@H]2c2ccccc2OC)c1O ZINC000809694674 1048458843 /nfs/dbraw/zinc/45/88/43/1048458843.db2.gz SYNLHHUHYLDHLB-CRAIPNDOSA-N 1 1 341.451 4.383 20 10 EICDMO Cc1ccc(O)c(C[N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c1 ZINC000809688248 1048478650 /nfs/dbraw/zinc/47/86/50/1048478650.db2.gz FUVSDRGPUCTQBG-UHFFFAOYSA-N 1 1 339.357 4.274 20 10 EICDMO COc1ccc(O)c(C[N@@H+](CCc2ccccc2)Cc2cccnc2)c1 ZINC000809735428 1048484203 /nfs/dbraw/zinc/48/42/03/1048484203.db2.gz GTBSXTUJWFWTPL-UHFFFAOYSA-N 1 1 348.446 4.041 20 10 EICDMO C[N@@H+](Cc1ccc(O)cc1)Cc1ccc(OCc2ccccc2)cc1O ZINC000809753512 1048517085 /nfs/dbraw/zinc/51/70/85/1048517085.db2.gz VDVCYKYBNSZYEE-UHFFFAOYSA-N 1 1 349.430 4.309 20 10 EICDMO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000809758282 1048522119 /nfs/dbraw/zinc/52/21/19/1048522119.db2.gz IPHUKFZFABFZSA-NHCUHLMSSA-N 1 1 342.527 4.316 20 10 EICDMO C[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)c1cccc(C(F)(F)F)c1O ZINC000815585334 1048523959 /nfs/dbraw/zinc/52/39/59/1048523959.db2.gz DVKZQPOORLKATP-SGIREYDYSA-N 1 1 331.378 4.003 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2cccnc2)C2CC2)c(C(F)(F)F)c1 ZINC000809763204 1048524383 /nfs/dbraw/zinc/52/43/83/1048524383.db2.gz LRDLMVXUHCKFIE-UHFFFAOYSA-N 1 1 349.400 4.331 20 10 EICDMO C[C@]1(F)CCC[N@H+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144298563 1048573203 /nfs/dbraw/zinc/57/32/03/1048573203.db2.gz GSJMZSLDYOIPQM-AWEZNQCLSA-N 1 1 334.204 4.008 20 10 EICDMO C[C@]1(F)CCC[N@@H+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144298563 1048573218 /nfs/dbraw/zinc/57/32/18/1048573218.db2.gz GSJMZSLDYOIPQM-AWEZNQCLSA-N 1 1 334.204 4.008 20 10 EICDMO CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@@H]1CCOC(C)(C)C1 ZINC000810043100 1048605880 /nfs/dbraw/zinc/60/58/80/1048605880.db2.gz OWBGUXMGPRWULO-OAHLLOKOSA-N 1 1 339.863 4.028 20 10 EICDMO CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@@H]1CCOC(C)(C)C1 ZINC000810043100 1048605890 /nfs/dbraw/zinc/60/58/90/1048605890.db2.gz OWBGUXMGPRWULO-OAHLLOKOSA-N 1 1 339.863 4.028 20 10 EICDMO COc1cccc(C2(C[NH2+]Cc3c(O)ccc(Cl)c3F)CC2)c1 ZINC000810157554 1048661730 /nfs/dbraw/zinc/66/17/30/1048661730.db2.gz AJMHFAJAQCRAET-UHFFFAOYSA-N 1 1 335.806 4.015 20 10 EICDMO CC[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccc(C(F)(F)F)cc1O ZINC000810227898 1048696560 /nfs/dbraw/zinc/69/65/60/1048696560.db2.gz MHJNMXUDSLDHMO-ZIAGYGMSSA-N 1 1 339.361 4.252 20 10 EICDMO CC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810235233 1048700619 /nfs/dbraw/zinc/70/06/19/1048700619.db2.gz NCJYUFDHSHIXNT-HNNXBMFYSA-N 1 1 344.421 4.184 20 10 EICDMO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2c(O)cc(O)cc2O)cc1C ZINC001144516460 1048711904 /nfs/dbraw/zinc/71/19/04/1048711904.db2.gz YUPSMAULDHYYDQ-SFHVURJKSA-N 1 1 327.424 4.147 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@H+](Cc2cccc(F)c2)C2CC2)c1O ZINC000748050536 1048736521 /nfs/dbraw/zinc/73/65/21/1048736521.db2.gz GMTROROBZMAAJV-UHFFFAOYSA-N 1 1 331.362 4.038 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@@H+](Cc2cccc(F)c2)C2CC2)c1O ZINC000748050536 1048736539 /nfs/dbraw/zinc/73/65/39/1048736539.db2.gz GMTROROBZMAAJV-UHFFFAOYSA-N 1 1 331.362 4.038 20 10 EICDMO CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816493520 1048814786 /nfs/dbraw/zinc/81/47/86/1048814786.db2.gz FELNRLXQCYFPIC-UHFFFAOYSA-N 1 1 326.484 4.098 20 10 EICDMO CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816493520 1048814788 /nfs/dbraw/zinc/81/47/88/1048814788.db2.gz FELNRLXQCYFPIC-UHFFFAOYSA-N 1 1 326.484 4.098 20 10 EICDMO C[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccc2ccccc2c1O ZINC000816493412 1048814914 /nfs/dbraw/zinc/81/49/14/1048814914.db2.gz ADFUTGIVQPOVCJ-UHFFFAOYSA-N 1 1 343.430 4.363 20 10 EICDMO C[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccc2ccccc2c1O ZINC000816493412 1048814917 /nfs/dbraw/zinc/81/49/17/1048814917.db2.gz ADFUTGIVQPOVCJ-UHFFFAOYSA-N 1 1 343.430 4.363 20 10 EICDMO Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846118558 1048815160 /nfs/dbraw/zinc/81/51/60/1048815160.db2.gz XMGJCDLEVSJBMP-IBGZPJMESA-N 1 1 345.389 4.202 20 10 EICDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000846120745 1048817102 /nfs/dbraw/zinc/81/71/02/1048817102.db2.gz TVZZMKUYYAKEOG-IHPCNDPISA-N 1 1 327.399 4.026 20 10 EICDMO Oc1c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)ccc2ccccc21 ZINC000816520378 1048820044 /nfs/dbraw/zinc/82/00/44/1048820044.db2.gz NSDCZPNYXUPWNL-PKOBYXMFSA-N 1 1 337.419 4.227 20 10 EICDMO COc1cccc([C@H](C)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c1O ZINC000846148403 1048823857 /nfs/dbraw/zinc/82/38/57/1048823857.db2.gz YUWLUQPALIURAB-CVEARBPZSA-N 1 1 342.483 4.181 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000816530350 1048823882 /nfs/dbraw/zinc/82/38/82/1048823882.db2.gz FHAHBBCGWDDHJO-UHFFFAOYSA-N 1 1 349.711 4.373 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000816538799 1048827014 /nfs/dbraw/zinc/82/70/14/1048827014.db2.gz HQNWLUKOHVILKZ-IFXJQAMLSA-N 1 1 349.833 4.442 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000816528495 1048831195 /nfs/dbraw/zinc/83/11/95/1048831195.db2.gz FIUKUJYMEHSZNY-UHFFFAOYSA-N 1 1 331.721 4.076 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]CCc1nc2ccccc2s1 ZINC000816610669 1048844280 /nfs/dbraw/zinc/84/42/80/1048844280.db2.gz TVQIBIDHAWCBPW-UHFFFAOYSA-N 1 1 336.819 4.127 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1F ZINC000816657719 1048850055 /nfs/dbraw/zinc/85/00/55/1048850055.db2.gz YESUKUZHPFLDEF-HXUWFJFHSA-N 1 1 346.490 4.063 20 10 EICDMO CCOc1cccc(C[N@@H+]2CCc3cc(OC)c(Cl)cc3C2)c1O ZINC000816665217 1048851773 /nfs/dbraw/zinc/85/17/73/1048851773.db2.gz XTEDDUHATKYGHB-UHFFFAOYSA-N 1 1 347.842 4.011 20 10 EICDMO CCOc1cccc(C[N@H+]2CCc3cc(OC)c(Cl)cc3C2)c1O ZINC000816665217 1048851779 /nfs/dbraw/zinc/85/17/79/1048851779.db2.gz XTEDDUHATKYGHB-UHFFFAOYSA-N 1 1 347.842 4.011 20 10 EICDMO C[C@@H]([NH2+]C[C@H](N)c1ccccc1)c1cc(Cl)c(Cl)cc1O ZINC000817955291 1049065944 /nfs/dbraw/zinc/06/59/44/1049065944.db2.gz VFQUMOUXQVFUJW-BMIGLBTASA-N 1 1 325.239 4.050 20 10 EICDMO C[C@H](NC[C@]1(C)CCC[NH2+]C1)c1ccc(N2CCCCCC2)cc1 ZINC000817965012 1049072478 /nfs/dbraw/zinc/07/24/78/1049072478.db2.gz MTNYEEAHGBFJLI-GHTZIAJQSA-N 1 1 329.532 4.107 20 10 EICDMO C[C@H]([NH2+][C@H](CN)c1ccc2ccccc2c1)c1ccc(N(C)C)cc1 ZINC000817970665 1049073156 /nfs/dbraw/zinc/07/31/56/1049073156.db2.gz BRCXHIJMGVLIHG-KSFYIVLOSA-N 1 1 333.479 4.256 20 10 EICDMO CC[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(F)cc1O ZINC000817976454 1049075092 /nfs/dbraw/zinc/07/50/92/1049075092.db2.gz YVYXYOQLPIKYRP-IAGOWNOFSA-N 1 1 344.430 4.457 20 10 EICDMO Cc1cc(N)cc(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)c1 ZINC000817981084 1049078470 /nfs/dbraw/zinc/07/84/70/1049078470.db2.gz PVELLBPJRDMULX-JTQLQIEISA-N 1 1 325.239 4.440 20 10 EICDMO C[C@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817985278 1049079268 /nfs/dbraw/zinc/07/92/68/1049079268.db2.gz IURIMUAOTWEWTC-WMZOPIPTSA-N 1 1 345.506 4.141 20 10 EICDMO C[N@@H+](Cc1ccccc1O)[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170885325 1049083372 /nfs/dbraw/zinc/08/33/72/1049083372.db2.gz MBNRJUBYYDXZPN-QGZVFWFLSA-N 1 1 346.268 4.144 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000811519454 1049107688 /nfs/dbraw/zinc/10/76/88/1049107688.db2.gz XWTNQVGETYERRW-PMACEKPBSA-N 1 1 328.500 4.066 20 10 EICDMO CC[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000811511565 1049127073 /nfs/dbraw/zinc/12/70/73/1049127073.db2.gz NLXUSKBVIWFPAP-HXUWFJFHSA-N 1 1 330.516 4.456 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000179561600 1049675233 /nfs/dbraw/zinc/67/52/33/1049675233.db2.gz UBFQVLKCIVAVMR-UHFFFAOYSA-N 1 1 348.487 4.004 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c(Cl)c1 ZINC000822530168 1049769139 /nfs/dbraw/zinc/76/91/39/1049769139.db2.gz SGUUABDZRXOFCG-SFHVURJKSA-N 1 1 335.875 4.135 20 10 EICDMO CN(C)c1ccc(C[N@H+](Cc2ccnc(Cl)c2F)C2CC2)cc1 ZINC000823399591 1049844536 /nfs/dbraw/zinc/84/45/36/1049844536.db2.gz KNQCQFPDYCRDJL-UHFFFAOYSA-N 1 1 333.838 4.105 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2ccnc(Cl)c2F)C2CC2)cc1 ZINC000823399591 1049844540 /nfs/dbraw/zinc/84/45/40/1049844540.db2.gz KNQCQFPDYCRDJL-UHFFFAOYSA-N 1 1 333.838 4.105 20 10 EICDMO Cc1nc([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)c(C)s1 ZINC000772875296 1049875336 /nfs/dbraw/zinc/87/53/36/1049875336.db2.gz SVTRBWMSWICPJN-CYBMUJFWSA-N 1 1 347.553 4.164 20 10 EICDMO CC[C@@H](C)OCC[C@H](C)[NH2+]Cc1cc(Cl)c2cccnc2c1O ZINC001172323358 1049878172 /nfs/dbraw/zinc/87/81/72/1049878172.db2.gz BWUZPIHLVNKCRU-QWHCGFSZSA-N 1 1 336.863 4.277 20 10 EICDMO Cc1cccc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)c1O ZINC000180721116 1049932820 /nfs/dbraw/zinc/93/28/20/1049932820.db2.gz LVCIYCKLJLGHOE-MSOLQXFVSA-N 1 1 329.440 4.162 20 10 EICDMO C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001172873605 1050212661 /nfs/dbraw/zinc/21/26/61/1050212661.db2.gz VLUYWKUTOOXRDI-LBPRGKRZSA-N 1 1 349.833 4.270 20 10 EICDMO CC(C)c1ccccc1NCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001178009826 1050352181 /nfs/dbraw/zinc/35/21/81/1050352181.db2.gz DOLSYEOKYGOYQV-UHFFFAOYSA-N 1 1 341.474 4.313 20 10 EICDMO C[N@@H+](CCc1cccc(NCc2cc(Cl)cc(F)c2O)c1)C1CC1 ZINC001178347285 1050441623 /nfs/dbraw/zinc/44/16/23/1050441623.db2.gz SLOBDAAGRVEDBW-UHFFFAOYSA-N 1 1 348.849 4.434 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000773753365 1050509958 /nfs/dbraw/zinc/50/99/58/1050509958.db2.gz HSVPKESLZQCUFR-MOPGFXCFSA-N 1 1 344.524 4.292 20 10 EICDMO FC(F)(F)C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000775137864 1050594868 /nfs/dbraw/zinc/59/48/68/1050594868.db2.gz QXPOKAWFRAHMPS-MRXNPFEDSA-N 1 1 326.406 4.451 20 10 EICDMO CCOc1ccc([C@@H]2C[C@H]2[NH2+]Cc2c(O)ccc(Cl)c2F)cc1 ZINC001179168392 1050644023 /nfs/dbraw/zinc/64/40/23/1050644023.db2.gz DEGATXQRYHUVLP-XJKSGUPXSA-N 1 1 335.806 4.229 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+]CCCc2ccsc2)c1 ZINC001179816783 1050785611 /nfs/dbraw/zinc/78/56/11/1050785611.db2.gz NSTFDDYMCKLNAE-UHFFFAOYSA-N 1 1 340.286 4.247 20 10 EICDMO Cc1oc(-c2cccs2)nc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001179844878 1050794983 /nfs/dbraw/zinc/79/49/83/1050794983.db2.gz FQTNAEUFSGZPDH-UHFFFAOYSA-N 1 1 341.480 4.410 20 10 EICDMO Cc1oc(-c2cccs2)nc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001179844878 1050794998 /nfs/dbraw/zinc/79/49/98/1050794998.db2.gz FQTNAEUFSGZPDH-UHFFFAOYSA-N 1 1 341.480 4.410 20 10 EICDMO Cc1ccc(OC2CC[NH+](Cc3cc(F)cc(F)c3O)CC2)cc1 ZINC001179983902 1050839492 /nfs/dbraw/zinc/83/94/92/1050839492.db2.gz IJMKQFWVENCRHR-UHFFFAOYSA-N 1 1 333.378 4.022 20 10 EICDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(Cl)cc2O)C1 ZINC001180029653 1050857006 /nfs/dbraw/zinc/85/70/06/1050857006.db2.gz DLXYZLCNKWAMSQ-JKSUJKDBSA-N 1 1 336.907 4.132 20 10 EICDMO CCc1cccc(C[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)c1O ZINC001180019213 1050857410 /nfs/dbraw/zinc/85/74/10/1050857410.db2.gz WEHIBWDPIOOZEJ-UHFFFAOYSA-N 1 1 349.478 4.409 20 10 EICDMO CCc1cccc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1O ZINC001180030984 1050860677 /nfs/dbraw/zinc/86/06/77/1050860677.db2.gz RTOCFUXICHEURV-ZWKOTPCHSA-N 1 1 330.516 4.041 20 10 EICDMO CCc1cccc(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1O ZINC001180030984 1050860680 /nfs/dbraw/zinc/86/06/80/1050860680.db2.gz RTOCFUXICHEURV-ZWKOTPCHSA-N 1 1 330.516 4.041 20 10 EICDMO COc1ccc(N(c2ccc(N)cc2)c2ccc3[nH+]ccn3c2)cc1 ZINC001174278216 1050876939 /nfs/dbraw/zinc/87/69/39/1050876939.db2.gz UDMOYKAASQXYEF-UHFFFAOYSA-N 1 1 330.391 4.395 20 10 EICDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCc2c(F)cc(F)cc2[C@@H]1C ZINC001180112348 1050888369 /nfs/dbraw/zinc/88/83/69/1050888369.db2.gz IJHSYHBDGZFTEV-AWEZNQCLSA-N 1 1 330.422 4.459 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1cccc2cnccc21)C[C@H]1CCCO1 ZINC000182960303 1050912789 /nfs/dbraw/zinc/91/27/89/1050912789.db2.gz FKAQSVVLWOIMGZ-HXUWFJFHSA-N 1 1 348.446 4.122 20 10 EICDMO COc1cccc(C2CC[NH+](Cc3cc(F)cc(F)c3O)CC2)c1 ZINC001180896524 1051117737 /nfs/dbraw/zinc/11/77/37/1051117737.db2.gz GVTXQLGZSIRHKL-UHFFFAOYSA-N 1 1 333.378 4.059 20 10 EICDMO C[C@@H]([NH2+]Cc1cc(O)ccc1Br)c1ccc(N(C)C)cc1 ZINC000775365066 1051131626 /nfs/dbraw/zinc/13/16/26/1051131626.db2.gz RXDWOYUECSKIQA-GFCCVEGCSA-N 1 1 349.272 4.072 20 10 EICDMO Oc1c(F)cc(F)cc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC001181600552 1051258412 /nfs/dbraw/zinc/25/84/12/1051258412.db2.gz MPPIPIJMNYYQQC-YQVWRLOYSA-N 1 1 329.390 4.439 20 10 EICDMO Oc1c(F)cc(F)cc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC001181600552 1051258428 /nfs/dbraw/zinc/25/84/28/1051258428.db2.gz MPPIPIJMNYYQQC-YQVWRLOYSA-N 1 1 329.390 4.439 20 10 EICDMO FC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204321000 1051396902 /nfs/dbraw/zinc/39/69/02/1051396902.db2.gz CBQNOQLXNWAOMO-INIZCTEOSA-N 1 1 330.369 4.011 20 10 EICDMO COc1ccc(C[N@@H+](C(C)C)[C@H](C)c2ccccc2)c(O)c1OC ZINC001182151687 1051407120 /nfs/dbraw/zinc/40/71/20/1051407120.db2.gz CMGARSHYBMEDHG-OAHLLOKOSA-N 1 1 329.440 4.381 20 10 EICDMO C[C@H]([NH2+]Cc1cn2ccsc2n1)c1cc(Cl)c(Cl)cc1O ZINC000774149963 1051483094 /nfs/dbraw/zinc/48/30/94/1051483094.db2.gz ZMCUPNPZLIQRND-QMMMGPOBSA-N 1 1 342.251 4.259 20 10 EICDMO Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)c1 ZINC000774256100 1051530465 /nfs/dbraw/zinc/53/04/65/1051530465.db2.gz DZYYTZMDARAPMY-APPDUMDISA-N 1 1 340.250 4.392 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)c(Cl)c1[O-] ZINC000775489118 1051567846 /nfs/dbraw/zinc/56/78/46/1051567846.db2.gz SIXMRJQQZIKBBV-ZNMIVQPWSA-N 1 1 343.298 4.367 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)c(Cl)c1[O-] ZINC000775489118 1051567862 /nfs/dbraw/zinc/56/78/62/1051567862.db2.gz SIXMRJQQZIKBBV-ZNMIVQPWSA-N 1 1 343.298 4.367 20 10 EICDMO C[C@H]([NH2+][C@H](CO)c1ccsc1)c1cc(Cl)c(Cl)cc1O ZINC000774356166 1051574921 /nfs/dbraw/zinc/57/49/21/1051574921.db2.gz NUOZDDIVEJZOEX-ISVAXAHUSA-N 1 1 332.252 4.145 20 10 EICDMO CC[N@H+](CCOc1ccccc1C)Cc1cc(Cl)c(F)cc1O ZINC001182471565 1051611080 /nfs/dbraw/zinc/61/10/80/1051611080.db2.gz YKOMSFWSZVGVPL-UHFFFAOYSA-N 1 1 337.822 4.394 20 10 EICDMO CC[N@@H+](CCOc1ccccc1C)Cc1cc(Cl)c(F)cc1O ZINC001182471565 1051611089 /nfs/dbraw/zinc/61/10/89/1051611089.db2.gz YKOMSFWSZVGVPL-UHFFFAOYSA-N 1 1 337.822 4.394 20 10 EICDMO Oc1ccccc1C[N@@H+](CCCc1cccc(F)c1)C[C@@H]1CCCO1 ZINC001192011429 1051611812 /nfs/dbraw/zinc/61/18/12/1051611812.db2.gz CASXMLPIFCJBSE-FQEVSTJZSA-N 1 1 343.442 4.145 20 10 EICDMO CC[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cc(Cl)ccc1[O-] ZINC000775511832 1051659710 /nfs/dbraw/zinc/65/97/10/1051659710.db2.gz KEJFRQLSSDKVKG-SFHVURJKSA-N 1 1 336.907 4.493 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@](C)(c3cccc(F)c3)C2)c1O ZINC001182755013 1051686694 /nfs/dbraw/zinc/68/66/94/1051686694.db2.gz PHVJCRHNPCBOPF-LJQANCHMSA-N 1 1 349.833 4.357 20 10 EICDMO Cc1cc(C[N@H+]2CC[C@H](C3CCOCC3)C2)ccc1N1CCCCC1 ZINC001192301567 1051696728 /nfs/dbraw/zinc/69/67/28/1051696728.db2.gz AVDUCLZCZQJCID-NRFANRHFSA-N 1 1 342.527 4.234 20 10 EICDMO CCC[N@@H+](Cc1cc(OC)c(C)cc1O)[C@H]1CCCc2cccnc21 ZINC000774606390 1051811455 /nfs/dbraw/zinc/81/14/55/1051811455.db2.gz ZENHDWDJBOLVFN-SFHVURJKSA-N 1 1 340.467 4.394 20 10 EICDMO CCC[N@@H+](Cc1cc(C)cc(OC)c1O)[C@@H]1CCCc2cccnc21 ZINC000774612450 1051826831 /nfs/dbraw/zinc/82/68/31/1051826831.db2.gz PFUYDWFHFNJGOW-GOSISDBHSA-N 1 1 340.467 4.394 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC001183887564 1051915161 /nfs/dbraw/zinc/91/51/61/1051915161.db2.gz ZGDUTHQUFRDGMS-NSHDSACASA-N 1 1 340.851 4.096 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC001183887564 1051915168 /nfs/dbraw/zinc/91/51/68/1051915168.db2.gz ZGDUTHQUFRDGMS-NSHDSACASA-N 1 1 340.851 4.096 20 10 EICDMO C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001193448964 1051921788 /nfs/dbraw/zinc/92/17/88/1051921788.db2.gz YPRLFTHAQGYFFU-YWZLYKJASA-N 1 1 344.886 4.368 20 10 EICDMO C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001193448964 1051921801 /nfs/dbraw/zinc/92/18/01/1051921801.db2.gz YPRLFTHAQGYFFU-YWZLYKJASA-N 1 1 344.886 4.368 20 10 EICDMO CCCC[N@H+](Cc1ccccc1O)C[C@H](Cc1ccccc1)OC ZINC001193838984 1051996539 /nfs/dbraw/zinc/99/65/39/1051996539.db2.gz OKHFJUKLPQEQEJ-FQEVSTJZSA-N 1 1 327.468 4.252 20 10 EICDMO Cc1cc(C[N@H+]2CCCCC[C@@H]2CCO)ccc1N1CCCCC1 ZINC001194306142 1052123507 /nfs/dbraw/zinc/12/35/07/1052123507.db2.gz FTNIXUCUJGMXJM-HXUWFJFHSA-N 1 1 330.516 4.112 20 10 EICDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H](C)c1ccc(F)cc1 ZINC000774844502 1052198100 /nfs/dbraw/zinc/19/81/00/1052198100.db2.gz DHZGEGVYFPEISZ-LBPRGKRZSA-N 1 1 348.374 4.031 20 10 EICDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H](C)c1ccc(F)cc1 ZINC000774844502 1052198104 /nfs/dbraw/zinc/19/81/04/1052198104.db2.gz DHZGEGVYFPEISZ-LBPRGKRZSA-N 1 1 348.374 4.031 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1C(C)C ZINC000184809188 1052232573 /nfs/dbraw/zinc/23/25/73/1052232573.db2.gz TZVSQEGZCUDRIL-QFIPXVFZSA-N 1 1 337.463 4.455 20 10 EICDMO C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ccc(F)cc1O ZINC000184856827 1052266191 /nfs/dbraw/zinc/26/61/91/1052266191.db2.gz QYFNNNIWGPURNU-RHSMWYFYSA-N 1 1 332.419 4.002 20 10 EICDMO CCOc1cc2c(cc1C[NH2+][C@H](C)c1ccc(F)cc1O)O[C@@H](C)C2 ZINC000184897961 1052298092 /nfs/dbraw/zinc/29/80/92/1052298092.db2.gz STXPLNFDPSDEHP-QWHCGFSZSA-N 1 1 345.414 4.104 20 10 EICDMO C[C@H]([NH2+]C[C@@H](O)c1cc2ccccc2s1)c1ccc(F)cc1O ZINC000185720717 1052685482 /nfs/dbraw/zinc/68/54/82/1052685482.db2.gz GFCLKIXKVPINPX-MEDUHNTESA-N 1 1 331.412 4.130 20 10 EICDMO CCc1nc(C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)cs1 ZINC000850128900 1053076420 /nfs/dbraw/zinc/07/64/20/1053076420.db2.gz BKAZQNJWGTVIRV-UHFFFAOYSA-N 1 1 334.485 4.007 20 10 EICDMO Cc1cc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)ccc1N1CCCCC1 ZINC001194862767 1053127963 /nfs/dbraw/zinc/12/79/63/1053127963.db2.gz DYUZZHVSFNAZIM-RTWAWAEBSA-N 1 1 342.527 4.375 20 10 EICDMO CC[N@@H+](Cc1cn(C)nc1-c1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000775636433 1053265954 /nfs/dbraw/zinc/26/59/54/1053265954.db2.gz BPHKZAROWAUISH-UHFFFAOYSA-N 1 1 348.494 4.175 20 10 EICDMO C[C@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000764742636 1053285287 /nfs/dbraw/zinc/28/52/87/1053285287.db2.gz AIVBUHYRRVVSPR-AVRDEDQJSA-N 1 1 337.511 4.240 20 10 EICDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2cccc(C)c2O)c1 ZINC000775644318 1053309102 /nfs/dbraw/zinc/30/91/02/1053309102.db2.gz HAXGWYWFDDOOHN-SFHVURJKSA-N 1 1 327.424 4.055 20 10 EICDMO C[C@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1cc(F)cc(F)c1O ZINC000850569937 1053323110 /nfs/dbraw/zinc/32/31/10/1053323110.db2.gz NVBZNBHYUNIOLA-QMMMGPOBSA-N 1 1 347.283 4.262 20 10 EICDMO Cc1cc(C[N@H+](C(C)C)C2CCOCC2)c(C)n1-c1ccccc1 ZINC001137859459 1053333190 /nfs/dbraw/zinc/33/31/90/1053333190.db2.gz ZXOZJHBWARHNRB-UHFFFAOYSA-N 1 1 326.484 4.484 20 10 EICDMO COc1ccc(O)c(C[N@@H+]2CC=C(c3c(C)[nH]c4ccccc43)CC2)c1 ZINC000775649136 1053370011 /nfs/dbraw/zinc/37/00/11/1053370011.db2.gz LTJDSIIADHFPLS-UHFFFAOYSA-N 1 1 348.446 4.480 20 10 EICDMO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(N2CCCCC2)c(F)c1 ZINC000764962438 1053399300 /nfs/dbraw/zinc/39/93/00/1053399300.db2.gz JDBQEDOYXQXOOU-LDQXTDLNSA-N 1 1 345.506 4.093 20 10 EICDMO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1ccc(N2CCCCC2)c(F)c1 ZINC000764962438 1053399313 /nfs/dbraw/zinc/39/93/13/1053399313.db2.gz JDBQEDOYXQXOOU-LDQXTDLNSA-N 1 1 345.506 4.093 20 10 EICDMO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2O)c(Cl)c1 ZINC000109773662 1053422352 /nfs/dbraw/zinc/42/23/52/1053422352.db2.gz XQRDOHAMWBYJIS-CQSZACIVSA-N 1 1 346.858 4.121 20 10 EICDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCc3ccc(F)cc32)c1 ZINC000794837819 1053497260 /nfs/dbraw/zinc/49/72/60/1053497260.db2.gz ZTACVEHEGYQQMP-XIKOKIGWSA-N 1 1 343.398 4.046 20 10 EICDMO CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000765293083 1053499011 /nfs/dbraw/zinc/49/90/11/1053499011.db2.gz ZUWILBHEYKQYFM-MSOLQXFVSA-N 1 1 347.522 4.199 20 10 EICDMO CCC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000765293083 1053499022 /nfs/dbraw/zinc/49/90/22/1053499022.db2.gz ZUWILBHEYKQYFM-MSOLQXFVSA-N 1 1 347.522 4.199 20 10 EICDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000775712501 1053648061 /nfs/dbraw/zinc/64/80/61/1053648061.db2.gz CQCHJTDYMGVYMW-CQSZACIVSA-N 1 1 331.843 4.352 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC001196394244 1053657065 /nfs/dbraw/zinc/65/70/65/1053657065.db2.gz WBAKHEWCECSFIY-QGZVFWFLSA-N 1 1 330.422 4.410 20 10 EICDMO C/C=C/C[C@H]1CCC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC001196614400 1053712872 /nfs/dbraw/zinc/71/28/72/1053712872.db2.gz OFQVVEBDNHXIBR-RTLBZRNLSA-N 1 1 342.527 4.480 20 10 EICDMO Cc1cc(C[N@H+]2CCC[C@H]2C2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000776775616 1053872666 /nfs/dbraw/zinc/87/26/66/1053872666.db2.gz CTQBQVZCPOPHSB-IBGZPJMESA-N 1 1 331.500 4.389 20 10 EICDMO Cc1cnc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)s1 ZINC000122868864 1054055753 /nfs/dbraw/zinc/05/57/53/1054055753.db2.gz SIRROFHQUQTRBN-CQSZACIVSA-N 1 1 333.476 4.432 20 10 EICDMO C[C@@H]([NH2+]Cc1ncc(-c2ccc(F)cc2)o1)c1ccc(N(C)C)cc1 ZINC000775830311 1054092119 /nfs/dbraw/zinc/09/21/19/1054092119.db2.gz HTDCHIKKBAMTPB-CQSZACIVSA-N 1 1 339.414 4.398 20 10 EICDMO Cc1cc(N(C)C)ccc1C[NH2+]Cc1csc(-c2ccco2)n1 ZINC000115629478 1054366610 /nfs/dbraw/zinc/36/66/10/1054366610.db2.gz PMHBSVMVHGSTIJ-UHFFFAOYSA-N 1 1 327.453 4.067 20 10 EICDMO C[N@@H+]1CC=C(CNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000775971100 1054417404 /nfs/dbraw/zinc/41/74/04/1054417404.db2.gz FYYNVXRDSVGKQG-UHFFFAOYSA-N 1 1 349.438 4.485 20 10 EICDMO CCC[N@@H+](Cc1cccc(OCC)c1O)[C@H]1CCCc2cccnc21 ZINC000775994705 1054433671 /nfs/dbraw/zinc/43/36/71/1054433671.db2.gz LBEMJXMWSOQKKK-SFHVURJKSA-N 1 1 340.467 4.476 20 10 EICDMO COc1cc(C[NH2+]Cc2ncc(Cl)s2)c(O)c(C(C)(C)C)c1 ZINC000873165631 1054497326 /nfs/dbraw/zinc/49/73/26/1054497326.db2.gz VXVDHOJRKNCVRK-UHFFFAOYSA-N 1 1 340.876 4.098 20 10 EICDMO Cc1cc(C[NH2+][C@H]2CCCn3ccnc32)c(C)n1-c1cccc(C)c1 ZINC000858543632 1054511953 /nfs/dbraw/zinc/51/19/53/1054511953.db2.gz VACLJSNDSHLPEF-FQEVSTJZSA-N 1 1 334.467 4.224 20 10 EICDMO COc1cc(CNc2ccc3c(c2)[nH+]cn3C)c(O)c(C(C)(C)C)c1 ZINC001201115150 1054667059 /nfs/dbraw/zinc/66/70/59/1054667059.db2.gz YTLQZVVWEASBOR-UHFFFAOYSA-N 1 1 339.439 4.197 20 10 EICDMO C[C@@H](NCc1ccc(N2CCCC2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001201946485 1054963161 /nfs/dbraw/zinc/96/31/61/1054963161.db2.gz FESZYIKSGKQCQJ-UYAOXDASSA-N 1 1 341.543 4.029 20 10 EICDMO C[C@@H](NCc1ccc(N2CCCC2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001201946485 1054963174 /nfs/dbraw/zinc/96/31/74/1054963174.db2.gz FESZYIKSGKQCQJ-UYAOXDASSA-N 1 1 341.543 4.029 20 10 EICDMO CCCn1ccnc1CCC[N@@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000825928473 1054998385 /nfs/dbraw/zinc/99/83/85/1054998385.db2.gz WNXGHFFAOXXGPT-UHFFFAOYSA-N 1 1 335.879 4.025 20 10 EICDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862326514 1055049422 /nfs/dbraw/zinc/04/94/22/1055049422.db2.gz PHNJHGWHDYWCGU-MLGOLLRUSA-N 1 1 347.256 4.133 20 10 EICDMO Cc1ccc(C[NH2+][C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c(O)c1 ZINC000877471857 1055059536 /nfs/dbraw/zinc/05/95/36/1055059536.db2.gz CFRQHSLKXMSMGD-CYBMUJFWSA-N 1 1 341.386 4.049 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H]2CCCCC2(F)F)c1 ZINC001202546769 1055196330 /nfs/dbraw/zinc/19/63/30/1055196330.db2.gz PAUDLHAZTIGCPG-GFCCVEGCSA-N 1 1 348.231 4.378 20 10 EICDMO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000765784606 1055302965 /nfs/dbraw/zinc/30/29/65/1055302965.db2.gz SJEQBRPAXWJYBT-VQTJNVASSA-N 1 1 343.559 4.448 20 10 EICDMO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000765784606 1055302981 /nfs/dbraw/zinc/30/29/81/1055302981.db2.gz SJEQBRPAXWJYBT-VQTJNVASSA-N 1 1 343.559 4.448 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)cc1C ZINC000742165265 1058524463 /nfs/dbraw/zinc/52/44/63/1058524463.db2.gz JEJQHBXMIRSBRP-LAUBAEHRSA-N 1 1 325.452 4.279 20 10 EICDMO CCc1cc(C[N@H+]2CCC3(C2)CCOCC3)c(O)c(C(C)(C)C)c1 ZINC000743408580 1058990421 /nfs/dbraw/zinc/99/04/21/1058990421.db2.gz HOMSRYOTIINXHL-UHFFFAOYSA-N 1 1 331.500 4.255 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000743870307 1059189337 /nfs/dbraw/zinc/18/93/37/1059189337.db2.gz POLDRZKTBYWYDH-QGZVFWFLSA-N 1 1 340.467 4.248 20 10 EICDMO CCN(C)c1ccc([C@H](C)[NH2+]Cc2csc([C@@H](C)OC)n2)cc1 ZINC000766528521 1060523162 /nfs/dbraw/zinc/52/31/62/1060523162.db2.gz MFFCESLRFOXYHD-UONOGXRCSA-N 1 1 333.501 4.157 20 10 EICDMO CCN(C)c1ccc([C@H](C)[NH2+]Cc2csc([C@H](C)OC)n2)cc1 ZINC000766528517 1060523995 /nfs/dbraw/zinc/52/39/95/1060523995.db2.gz MFFCESLRFOXYHD-KBPBESRZSA-N 1 1 333.501 4.157 20 10 EICDMO Oc1c(Br)cccc1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000729685470 1032160064 /nfs/dbraw/zinc/16/00/64/1032160064.db2.gz CDUJNIJFIUJBPT-UHFFFAOYSA-N 1 1 336.204 4.073 20 10 EICDMO COc1ccc(N2CCC[N@@H+](CCCSC(C)(C)C)CC2)cc1 ZINC001167107881 1020183794 /nfs/dbraw/zinc/18/37/94/1020183794.db2.gz JRINMFOATYTWDE-UHFFFAOYSA-N 1 1 336.545 4.129 20 10 EICDMO CCOC[C@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000748095665 1020302801 /nfs/dbraw/zinc/30/28/01/1020302801.db2.gz SYVAQNOTFXRUFO-AWEZNQCLSA-N 1 1 325.408 4.150 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1c(F)cccc1Cl ZINC000748098635 1020330394 /nfs/dbraw/zinc/33/03/94/1020330394.db2.gz KCKSZDUMUFEZNP-CQSZACIVSA-N 1 1 348.849 4.167 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@H+](Cc2ccccc2)CC(C)C)c1O ZINC001167241267 1020654321 /nfs/dbraw/zinc/65/43/21/1020654321.db2.gz VYQGURGLQVTAHU-UHFFFAOYSA-N 1 1 329.415 4.392 20 10 EICDMO CC[C@H](NC1CC[NH+](C2CCCC2)CC1)c1ccc(N(C)C)cc1 ZINC000160482595 1021961413 /nfs/dbraw/zinc/96/14/13/1021961413.db2.gz BCCZUOKNOOUACT-NRFANRHFSA-N 1 1 329.532 4.200 20 10 EICDMO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC000310890157 1022578463 /nfs/dbraw/zinc/57/84/63/1022578463.db2.gz KHWGFWWBROGWSV-XMSQKQJNSA-N 1 1 338.495 4.263 20 10 EICDMO Cc1ccc(O)c([C@H](C)[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC000310890154 1022579745 /nfs/dbraw/zinc/57/97/45/1022579745.db2.gz KHWGFWWBROGWSV-AVRDEDQJSA-N 1 1 338.495 4.263 20 10 EICDMO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)CCO2 ZINC000186699440 1023157009 /nfs/dbraw/zinc/15/70/09/1023157009.db2.gz FVRKTMFRACKSFH-YVEFUNNKSA-N 1 1 331.387 4.104 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000781892867 1023325612 /nfs/dbraw/zinc/32/56/12/1023325612.db2.gz FWKUUJRETDJBLW-HNNXBMFYSA-N 1 1 335.245 4.128 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000781892867 1023325621 /nfs/dbraw/zinc/32/56/21/1023325621.db2.gz FWKUUJRETDJBLW-HNNXBMFYSA-N 1 1 335.245 4.128 20 10 EICDMO CCCc1ncc(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)o1 ZINC000834899153 1023355505 /nfs/dbraw/zinc/35/55/05/1023355505.db2.gz IQWWECWAYLJIGO-SECBINFHSA-N 1 1 329.227 4.490 20 10 EICDMO Oc1cccc(Br)c1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000707142128 1023492913 /nfs/dbraw/zinc/49/29/13/1023492913.db2.gz FZFLUCPSELXHRF-MRXNPFEDSA-N 1 1 332.241 4.492 20 10 EICDMO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)cnn1C ZINC000192660036 1023635409 /nfs/dbraw/zinc/63/54/09/1023635409.db2.gz OSSQTLIKZOBHHU-DTWKUNHWSA-N 1 1 328.243 4.153 20 10 EICDMO CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(OC)c(OC)c1O ZINC000891498606 1023710225 /nfs/dbraw/zinc/71/02/25/1023710225.db2.gz JXLBUAQODVHZRU-UHFFFAOYSA-N 1 1 341.860 4.146 20 10 EICDMO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000277170809 1025212168 /nfs/dbraw/zinc/21/21/68/1025212168.db2.gz HUEYUOLMJMBICV-CVEARBPZSA-N 1 1 341.503 4.159 20 10 EICDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCCC2(C1)CCCCCC2 ZINC001167549624 1026191398 /nfs/dbraw/zinc/19/13/98/1026191398.db2.gz OKTBLVAFCTUJCY-UHFFFAOYSA-N 1 1 342.527 4.460 20 10 EICDMO COc1cc(C)cc(C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1O ZINC000894786122 1026439520 /nfs/dbraw/zinc/43/95/20/1026439520.db2.gz DVOKCBYLECPWOD-OKILXGFUSA-N 1 1 331.378 4.262 20 10 EICDMO COc1ccc(N2CCC[N@@H+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000108092332 1026786882 /nfs/dbraw/zinc/78/68/82/1026786882.db2.gz BNIDMTLXIPUTEV-UHFFFAOYSA-N 1 1 330.859 4.061 20 10 EICDMO Cc1cnc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)s1 ZINC000280789470 1026890642 /nfs/dbraw/zinc/89/06/42/1026890642.db2.gz GJBUHGNLZAFFQY-NSHDSACASA-N 1 1 343.418 4.387 20 10 EICDMO C[C@@H]([NH2+][C@H](c1nccs1)c1ccccc1)c1cc(F)ccc1O ZINC000185235825 1030135178 /nfs/dbraw/zinc/13/51/78/1030135178.db2.gz CFWQIUQJOBVHJH-PXAZEXFGSA-N 1 1 328.412 4.428 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccc(F)cc1O ZINC000185741800 1030221526 /nfs/dbraw/zinc/22/15/26/1030221526.db2.gz BTBDCEQLLZDYIO-UONOGXRCSA-N 1 1 325.387 4.129 20 10 EICDMO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)c1nc(-c2ccccc2)no1 ZINC000186192350 1030256569 /nfs/dbraw/zinc/25/65/69/1030256569.db2.gz GDVPMDZJIVREGU-OLZOCXBDSA-N 1 1 341.386 4.036 20 10 EICDMO CC[C@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ccc(F)cc1O ZINC000796665057 1031091723 /nfs/dbraw/zinc/09/17/23/1031091723.db2.gz CUZQKYZKSSJNQH-ZWKOTPCHSA-N 1 1 346.446 4.392 20 10 EICDMO CC[C@H](CC(F)(F)F)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000760653550 1035859432 /nfs/dbraw/zinc/85/94/32/1035859432.db2.gz TVNHNZUCENQUFL-SNVBAGLBSA-N 1 1 340.183 4.284 20 10 EICDMO Cc1cc(O)c(C[N@@H+](C)Cc2csc(Br)c2)cc1C ZINC000060112595 1035859940 /nfs/dbraw/zinc/85/99/40/1035859940.db2.gz OIYHXMYJAQXDRX-UHFFFAOYSA-N 1 1 340.286 4.465 20 10 EICDMO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)c1O ZINC000761193445 1036005387 /nfs/dbraw/zinc/00/53/87/1036005387.db2.gz DOOVHAATNDVFBP-ACJLOTCBSA-N 1 1 347.842 4.016 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)c1O ZINC000761193445 1036005409 /nfs/dbraw/zinc/00/54/09/1036005409.db2.gz DOOVHAATNDVFBP-ACJLOTCBSA-N 1 1 347.842 4.016 20 10 EICDMO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)c1O ZINC000761195171 1036019188 /nfs/dbraw/zinc/01/91/88/1036019188.db2.gz IAKXSEMJXNNVRZ-FZKQIMNGSA-N 1 1 347.842 4.016 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)c1O ZINC000761195171 1036019203 /nfs/dbraw/zinc/01/92/03/1036019203.db2.gz IAKXSEMJXNNVRZ-FZKQIMNGSA-N 1 1 347.842 4.016 20 10 EICDMO C[C@@H](c1ccccc1)[N@H+](Cc1cn(C2CC2)nn1)Cc1ccccc1O ZINC000906279240 1036184755 /nfs/dbraw/zinc/18/47/55/1036184755.db2.gz CSHPNVFVXBRJOT-INIZCTEOSA-N 1 1 348.450 4.082 20 10 EICDMO C[C@@H](c1ccccc1)[N@@H+](Cc1cn(C2CC2)nn1)Cc1ccccc1O ZINC000906279240 1036184766 /nfs/dbraw/zinc/18/47/66/1036184766.db2.gz CSHPNVFVXBRJOT-INIZCTEOSA-N 1 1 348.450 4.082 20 10 EICDMO Cc1ccc(O)c(C[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000273377376 1037438155 /nfs/dbraw/zinc/43/81/55/1037438155.db2.gz GDTOXGNSNBJNCH-UYAOXDASSA-N 1 1 329.415 4.192 20 10 EICDMO C[C@@H]([NH2+]CCc1ccc(Br)s1)c1ccc(F)cc1O ZINC000230659405 1038223274 /nfs/dbraw/zinc/22/32/74/1038223274.db2.gz GKQKQMPVOQOUBQ-SECBINFHSA-N 1 1 344.249 4.249 20 10 EICDMO Cc1nnsc1[C@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000929184832 1039381358 /nfs/dbraw/zinc/38/13/58/1039381358.db2.gz MKKZWPCFGSXKFL-HNNXBMFYSA-N 1 1 330.501 4.030 20 10 EICDMO Cc1nnsc1[C@H](C)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000929184832 1039381373 /nfs/dbraw/zinc/38/13/73/1039381373.db2.gz MKKZWPCFGSXKFL-HNNXBMFYSA-N 1 1 330.501 4.030 20 10 EICDMO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](c1ccccc1)c1ccncn1 ZINC000479436553 1040340742 /nfs/dbraw/zinc/34/07/42/1040340742.db2.gz JRVCXPGXWKGOLF-QFIPXVFZSA-N 1 1 342.446 4.156 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168437942 1041932689 /nfs/dbraw/zinc/93/26/89/1041932689.db2.gz KRUSPTXCPYEIBJ-JOCHJYFZSA-N 1 1 338.470 4.415 20 10 EICDMO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(Cl)cc(Cl)c1[O-] ZINC000296256857 1042568428 /nfs/dbraw/zinc/56/84/28/1042568428.db2.gz DCKYQDOUWFSLTJ-IAYQEVDDSA-N 1 1 343.298 4.365 20 10 EICDMO Cc1cc(CC[NH2+]C2CCN(C(C)C)CC2)c(C)n1-c1ccccc1 ZINC000761573983 1042884425 /nfs/dbraw/zinc/88/44/25/1042884425.db2.gz UTSGSBCLIMKEGS-UHFFFAOYSA-N 1 1 339.527 4.099 20 10 EICDMO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)cc1 ZINC000186823945 1043066341 /nfs/dbraw/zinc/06/63/41/1043066341.db2.gz RHHSIQGCCLZXLT-OAHLLOKOSA-N 1 1 345.487 4.297 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)cc1C(C)C ZINC000766031444 1043072492 /nfs/dbraw/zinc/07/24/92/1043072492.db2.gz UTQRATYKDGPXSP-QGZVFWFLSA-N 1 1 347.499 4.378 20 10 EICDMO CCC[N@@H+](Cc1cnc(-c2ccccc2)nc1)Cc1ccccc1O ZINC000727831312 1043312723 /nfs/dbraw/zinc/31/27/23/1043312723.db2.gz VOVIKCOPYYKSAC-UHFFFAOYSA-N 1 1 333.435 4.261 20 10 EICDMO C[N@H+](Cc1cc2oc3ccccc3c2cc1O)C[C@@H]1CCCOC1 ZINC000730804785 1043627829 /nfs/dbraw/zinc/62/78/29/1043627829.db2.gz ZNZVFGVURBLGLK-AWEZNQCLSA-N 1 1 325.408 4.150 20 10 EICDMO C[N@H+](CC(=O)Nc1ccc(-c2ccccc2)cc1)Cc1ccccc1O ZINC000731843566 1043835562 /nfs/dbraw/zinc/83/55/62/1043835562.db2.gz QVIRRUDVPYJXFD-UHFFFAOYSA-N 1 1 346.430 4.130 20 10 EICDMO C[N@@H+](CC(=O)Nc1ccc(-c2ccccc2)cc1)Cc1ccccc1O ZINC000731843566 1043835564 /nfs/dbraw/zinc/83/55/64/1043835564.db2.gz QVIRRUDVPYJXFD-UHFFFAOYSA-N 1 1 346.430 4.130 20 10 EICDMO Cc1cnn(CCCCC[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000732408659 1043921592 /nfs/dbraw/zinc/92/15/92/1043921592.db2.gz WXZBHYGITIDRJH-UHFFFAOYSA-N 1 1 340.515 4.092 20 10 EICDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2cc(C)cc(C)c2O)c1 ZINC000732486161 1043924358 /nfs/dbraw/zinc/92/43/58/1043924358.db2.gz JHLCERQKZWKGDA-LJQANCHMSA-N 1 1 341.451 4.363 20 10 EICDMO Cc1nn(C)c(Cl)c1C[N@@H+](Cc1ccccc1O)C1CCCCC1 ZINC000733613223 1044268624 /nfs/dbraw/zinc/26/86/24/1044268624.db2.gz FQGBRARHYZFFDI-UHFFFAOYSA-N 1 1 347.890 4.422 20 10 EICDMO C[C@H]([NH2+]C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1)c1ccccc1O ZINC001168023381 1044577432 /nfs/dbraw/zinc/57/74/32/1044577432.db2.gz VXOVCLHXSKLGSP-BZSNNMDCSA-N 1 1 338.495 4.484 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CCCN(Cc3ccccc3)C[C@H]2C)cc1C ZINC000740864362 1045232877 /nfs/dbraw/zinc/23/28/77/1045232877.db2.gz FAUVUKZYLGTBGY-LJQANCHMSA-N 1 1 338.495 4.105 20 10 EICDMO Cc1cc(O)c(CN2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1C ZINC000740864362 1045232886 /nfs/dbraw/zinc/23/28/86/1045232886.db2.gz FAUVUKZYLGTBGY-LJQANCHMSA-N 1 1 338.495 4.105 20 10 EICDMO Cc1cc(O)c(CN2CCC[N@H+](Cc3ccccc3)C[C@H]2C)cc1C ZINC000740864362 1045232892 /nfs/dbraw/zinc/23/28/92/1045232892.db2.gz FAUVUKZYLGTBGY-LJQANCHMSA-N 1 1 338.495 4.105 20 10 EICDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2c(O)ccc3ccc(OC)cc32)C1(C)C ZINC000740863694 1045233249 /nfs/dbraw/zinc/23/32/49/1045233249.db2.gz WSNNADLWYMOWKA-WOJBJXKFSA-N 1 1 343.467 4.189 20 10 EICDMO COc1cc(C[N@@H+](C)Cc2ccccc2OC)c(O)c(C(C)(C)C)c1 ZINC000915807190 1045469725 /nfs/dbraw/zinc/46/97/25/1045469725.db2.gz ADXVDNGCOPJPJJ-UHFFFAOYSA-N 1 1 343.467 4.339 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+]C(C)(C)CC(F)(F)F)c1 ZINC000780590168 1045474098 /nfs/dbraw/zinc/47/40/98/1045474098.db2.gz RYLNEVXRTYWOMH-UHFFFAOYSA-N 1 1 340.183 4.284 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000790961756 1045636353 /nfs/dbraw/zinc/63/63/53/1045636353.db2.gz ZVRQSKOZXFTDDR-SFHVURJKSA-N 1 1 345.801 4.161 20 10 EICDMO C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cccc(C(F)(F)F)c1O ZINC000798183262 1045706487 /nfs/dbraw/zinc/70/64/87/1045706487.db2.gz MPFBPNWFZBQQSX-ZUZCIYMTSA-N 1 1 345.386 4.031 20 10 EICDMO Oc1ccccc1C[N@@H+](C/C=C/c1ccc(F)cc1)C[C@H]1CCCO1 ZINC000768163416 1045730701 /nfs/dbraw/zinc/73/07/01/1045730701.db2.gz YVCCUROCCAYJEO-HQMUEHRGSA-N 1 1 341.426 4.226 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1coc2ccccc12)C[C@H]1CCCO1 ZINC000768163290 1045731107 /nfs/dbraw/zinc/73/11/07/1045731107.db2.gz XQNAFARHMRJFRP-GOSISDBHSA-N 1 1 337.419 4.320 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccccc2NC(C)=O)cc1 ZINC000768209113 1045742795 /nfs/dbraw/zinc/74/27/95/1045742795.db2.gz ZUVKFUNWWSPMKW-UHFFFAOYSA-N 1 1 339.483 4.123 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(C(F)F)c1 ZINC000791443183 1045743730 /nfs/dbraw/zinc/74/37/30/1045743730.db2.gz QURXFHARSIPFSC-UHFFFAOYSA-N 1 1 346.421 4.093 20 10 EICDMO Cc1ccc(C2=CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000768214420 1045754241 /nfs/dbraw/zinc/75/42/41/1045754241.db2.gz KPXYXXDJLROUFY-UHFFFAOYSA-N 1 1 348.490 4.121 20 10 EICDMO COc1cccc(O)c1C[N@@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000768258672 1045769045 /nfs/dbraw/zinc/76/90/45/1045769045.db2.gz VIVJIIAIIKTKCH-BBRMVZONSA-N 1 1 327.424 4.282 20 10 EICDMO C[N@@H+](Cc1ccc(Br)o1)Cc1cc(Cl)ccc1O ZINC000768263458 1045773389 /nfs/dbraw/zinc/77/33/89/1045773389.db2.gz PQHRRQTXLBCWSJ-UHFFFAOYSA-N 1 1 330.609 4.033 20 10 EICDMO Cc1ccc(C[N@@H+](Cc2cc(Br)ccc2O)C2CC2)o1 ZINC000768264493 1045774231 /nfs/dbraw/zinc/77/42/31/1045774231.db2.gz QJKDHTKGRKMJRS-UHFFFAOYSA-N 1 1 336.229 4.221 20 10 EICDMO CC(C)[N@@H+](Cc1cccs1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768335845 1045788751 /nfs/dbraw/zinc/78/87/51/1045788751.db2.gz ZVSNSKUSHRKILH-UHFFFAOYSA-N 1 1 348.487 4.134 20 10 EICDMO CC(C)[N@@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccc(N(C)C)cc1 ZINC000768357492 1045799467 /nfs/dbraw/zinc/79/94/67/1045799467.db2.gz LUDXZIYTCKQYRZ-UHFFFAOYSA-N 1 1 328.504 4.115 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CCCO[C@H](c3ccccc3)C1)CCCC2 ZINC000768453578 1045808667 /nfs/dbraw/zinc/80/86/67/1045808667.db2.gz YYFMKZXURMLEPO-QFIPXVFZSA-N 1 1 337.463 4.235 20 10 EICDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)C[C@@H](c2ccsc2)O1 ZINC000768465338 1045810511 /nfs/dbraw/zinc/81/05/11/1045810511.db2.gz ZQSKZGNSWAZESQ-VLIAUNLRSA-N 1 1 343.492 4.295 20 10 EICDMO CCC[N@@H+](CCc1cccs1)Cc1ccc(N2CCOCC2)cc1 ZINC000768524199 1045815307 /nfs/dbraw/zinc/81/53/07/1045815307.db2.gz LZWIOCCMHHVEMI-UHFFFAOYSA-N 1 1 344.524 4.039 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCC[C@]2(C)Cc2ccccc2)cc1OC ZINC000768536548 1045816673 /nfs/dbraw/zinc/81/66/73/1045816673.db2.gz YJYGBKZJKHRTFM-OAQYLSRUSA-N 1 1 341.451 4.007 20 10 EICDMO COc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1OCC(C)C ZINC000768872955 1045851181 /nfs/dbraw/zinc/85/11/81/1045851181.db2.gz MWTLIOQVQGGVKT-UHFFFAOYSA-N 1 1 329.440 4.068 20 10 EICDMO CCCOc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1OCC ZINC000768872763 1045851880 /nfs/dbraw/zinc/85/18/80/1045851880.db2.gz IKPIKCBERJNLRE-UHFFFAOYSA-N 1 1 329.440 4.212 20 10 EICDMO Cc1ccc(O)c(C[NH2+]Cc2csc(COc3ccccc3)n2)c1 ZINC000768953100 1045869303 /nfs/dbraw/zinc/86/93/03/1045869303.db2.gz LTJIKFULOAUPGP-UHFFFAOYSA-N 1 1 340.448 4.026 20 10 EICDMO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792179667 1045874569 /nfs/dbraw/zinc/87/45/69/1045874569.db2.gz JUWMKUUYRYVMPG-LLVKDONJSA-N 1 1 325.733 4.348 20 10 EICDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792179667 1045874574 /nfs/dbraw/zinc/87/45/74/1045874574.db2.gz JUWMKUUYRYVMPG-LLVKDONJSA-N 1 1 325.733 4.348 20 10 EICDMO CCC[N@@H+](Cc1nc2ccc(Cl)cc2n1C)Cc1ccccc1O ZINC000769200589 1045892799 /nfs/dbraw/zinc/89/27/99/1045892799.db2.gz ARJGAEGNYRRPKZ-UHFFFAOYSA-N 1 1 343.858 4.345 20 10 EICDMO CCC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccccc1O ZINC000769200990 1045894456 /nfs/dbraw/zinc/89/44/56/1045894456.db2.gz MLWMBBMFNPTFRQ-UHFFFAOYSA-N 1 1 339.414 4.334 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)cc1C ZINC000769245778 1045899719 /nfs/dbraw/zinc/89/97/19/1045899719.db2.gz WVGSJZUBDPHKED-FPOVZHCZSA-N 1 1 325.452 4.097 20 10 EICDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000769403464 1045952577 /nfs/dbraw/zinc/95/25/77/1045952577.db2.gz IGSNYDYHDDQMEZ-JOCHJYFZSA-N 1 1 338.495 4.352 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000769428825 1045961269 /nfs/dbraw/zinc/96/12/69/1045961269.db2.gz UMCIXDLEHQLZCW-GOSISDBHSA-N 1 1 333.378 4.406 20 10 EICDMO COc1cccc(C[N@H+]2CCS[C@@H](C)[C@H]2c2ccccc2)c1O ZINC000769463706 1045982445 /nfs/dbraw/zinc/98/24/45/1045982445.db2.gz SXWSRBLDQSTJDY-KSSFIOAISA-N 1 1 329.465 4.079 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)c1 ZINC000769461278 1045983812 /nfs/dbraw/zinc/98/38/12/1045983812.db2.gz UVQZTWCZFUNJEK-FQEVSTJZSA-N 1 1 340.467 4.194 20 10 EICDMO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(N(C)C)c(F)c2)s1 ZINC000769471546 1045989035 /nfs/dbraw/zinc/98/90/35/1045989035.db2.gz VQJSVKPFLZAUTD-ZDUSSCGKSA-N 1 1 335.492 4.412 20 10 EICDMO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@@H](c2ccc(F)cc2)O1 ZINC000769474855 1045991103 /nfs/dbraw/zinc/99/11/03/1045991103.db2.gz SKZKNWJFLGBSMJ-XIKOKIGWSA-N 1 1 335.806 4.147 20 10 EICDMO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@@H](c2ccc(F)cc2)O1 ZINC000769474855 1045991094 /nfs/dbraw/zinc/99/10/94/1045991094.db2.gz SKZKNWJFLGBSMJ-XIKOKIGWSA-N 1 1 335.806 4.147 20 10 EICDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@@H](c2ccc(F)cc2)O1 ZINC000769476226 1045991371 /nfs/dbraw/zinc/99/13/71/1045991371.db2.gz XHAWURJDMNEAKV-XIKOKIGWSA-N 1 1 335.806 4.147 20 10 EICDMO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@@H](c2ccc(F)cc2)O1 ZINC000769476226 1045991360 /nfs/dbraw/zinc/99/13/60/1045991360.db2.gz XHAWURJDMNEAKV-XIKOKIGWSA-N 1 1 335.806 4.147 20 10 EICDMO CC[N@H+](Cc1cc(C)ccc1O)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000769530885 1046009280 /nfs/dbraw/zinc/00/92/80/1046009280.db2.gz ODUFQEFLKQOXBW-FQEVSTJZSA-N 1 1 338.495 4.045 20 10 EICDMO CC[N@@H+](Cc1cc(C)ccc1O)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000769530885 1046009262 /nfs/dbraw/zinc/00/92/62/1046009262.db2.gz ODUFQEFLKQOXBW-FQEVSTJZSA-N 1 1 338.495 4.045 20 10 EICDMO Cc1ccc(O)c(C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000769530910 1046011088 /nfs/dbraw/zinc/01/10/88/1046011088.db2.gz OTNRHCBTAGIRNY-UHFFFAOYSA-N 1 1 340.250 4.002 20 10 EICDMO Cc1cccc(C[N@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)n1 ZINC000792830453 1046074854 /nfs/dbraw/zinc/07/48/54/1046074854.db2.gz YKZPXVICAKBUAD-UHFFFAOYSA-N 1 1 337.389 4.107 20 10 EICDMO CC[C@H]([NH2+][C@H](C)[C@@H](c1ccccc1)N(C)C)c1ccc(F)cc1O ZINC000796945174 1046103053 /nfs/dbraw/zinc/10/30/53/1046103053.db2.gz NVDNGJRMSDUAQJ-WNYOCNMUSA-N 1 1 330.447 4.263 20 10 EICDMO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000770289724 1046170311 /nfs/dbraw/zinc/17/03/11/1046170311.db2.gz GZQOYDCAZTZXCE-MLGOLLRUSA-N 1 1 337.872 4.195 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)cc1C ZINC000770326711 1046182015 /nfs/dbraw/zinc/18/20/15/1046182015.db2.gz QVNPADLIXGJWKC-AZUAARDMSA-N 1 1 343.467 4.470 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000770667660 1046244303 /nfs/dbraw/zinc/24/43/03/1046244303.db2.gz SYKFREFUZKBZSK-JOCHJYFZSA-N 1 1 336.479 4.164 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000771924208 1046518865 /nfs/dbraw/zinc/51/88/65/1046518865.db2.gz CWJBRBUQKPBGQZ-UHFFFAOYSA-N 1 1 336.435 4.254 20 10 EICDMO COc1cccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1OC(C)C ZINC000771935396 1046528397 /nfs/dbraw/zinc/52/83/97/1046528397.db2.gz RCQQXPGFMCGRHB-UHFFFAOYSA-N 1 1 342.483 4.180 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccc2c(c1)COC2 ZINC000771934911 1046528755 /nfs/dbraw/zinc/52/87/55/1046528755.db2.gz HJFUUUCHTWWSDE-UHFFFAOYSA-N 1 1 336.479 4.339 20 10 EICDMO Cc1cccc2nc(C[N@@H+](C)Cc3ccc(N4CCCCC4)cc3)cn21 ZINC000917019892 1046564458 /nfs/dbraw/zinc/56/44/58/1046564458.db2.gz LRBOYHCMQUOJOA-UHFFFAOYSA-N 1 1 348.494 4.265 20 10 EICDMO Cc1cccc2nc(C[N@H+](C)Cc3ccc(N4CCCCC4)cc3)cn21 ZINC000917019892 1046564472 /nfs/dbraw/zinc/56/44/72/1046564472.db2.gz LRBOYHCMQUOJOA-UHFFFAOYSA-N 1 1 348.494 4.265 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2cnn(-c3ccccc3)c2)C2CC2)cc1 ZINC000917074320 1046635525 /nfs/dbraw/zinc/63/55/25/1046635525.db2.gz XHDCYCPZQUFBKQ-UHFFFAOYSA-N 1 1 346.478 4.103 20 10 EICDMO Cc1ccc2nc(C[N@@H+](Cc3ccc(N(C)C)cc3)C(C)C)cn2c1 ZINC000917075454 1046638180 /nfs/dbraw/zinc/63/81/80/1046638180.db2.gz WAJTYQMQXJPCRV-UHFFFAOYSA-N 1 1 336.483 4.119 20 10 EICDMO CC(C)[N@@H+](Cc1cccc(Cl)c1)Cc1cc2c(cc1O)OCO2 ZINC000917463003 1046891442 /nfs/dbraw/zinc/89/14/42/1046891442.db2.gz UWVLHSVFZZFJDH-UHFFFAOYSA-N 1 1 333.815 4.185 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2ccc3cnccc3c2)C2CC2)cc1 ZINC000787087284 1046906964 /nfs/dbraw/zinc/90/69/64/1046906964.db2.gz PEGOYARNOBCKIC-UHFFFAOYSA-N 1 1 331.463 4.465 20 10 EICDMO CC[C@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1ccc(F)cc1O ZINC000806181005 1047203670 /nfs/dbraw/zinc/20/36/70/1047203670.db2.gz VAFJMQRBPGNCGI-GUYCJALGSA-N 1 1 337.822 4.002 20 10 EICDMO CC[C@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1ccc(F)cc1O ZINC000806181004 1047204581 /nfs/dbraw/zinc/20/45/81/1047204581.db2.gz VAFJMQRBPGNCGI-DYVFJYSZSA-N 1 1 337.822 4.002 20 10 EICDMO COCc1ccc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)cc1 ZINC000788508890 1047209662 /nfs/dbraw/zinc/20/96/62/1047209662.db2.gz XTCNDBJSZFAMCW-LBPRGKRZSA-N 1 1 339.357 4.408 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1cccc(C(F)(F)F)c1O ZINC000788561647 1047225595 /nfs/dbraw/zinc/22/55/95/1047225595.db2.gz GSIUJLJJZOIPRH-NEPJUHHUSA-N 1 1 339.357 4.315 20 10 EICDMO CCc1cnc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)s1 ZINC000788607056 1047245999 /nfs/dbraw/zinc/24/59/99/1047245999.db2.gz BTWUPWFPQQRKAO-VIFPVBQESA-N 1 1 330.375 4.281 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1cccc(C(F)(F)F)c1O ZINC000788642067 1047258065 /nfs/dbraw/zinc/25/80/65/1047258065.db2.gz DDHCLEFLGGZNHR-DTWKUNHWSA-N 1 1 345.283 4.029 20 10 EICDMO C[C@@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1cccc(C(F)(F)F)c1O ZINC000788693377 1047264937 /nfs/dbraw/zinc/26/49/37/1047264937.db2.gz SQWNKNICBLUZOF-QWHCGFSZSA-N 1 1 345.405 4.250 20 10 EICDMO C[C@H]([NH2+]CCC[C@@H]1CCCC[C@H]1O)c1cccc(C(F)(F)F)c1O ZINC000788672883 1047271042 /nfs/dbraw/zinc/27/10/42/1047271042.db2.gz SSVZDGDXWCQIEN-HEHGZKQESA-N 1 1 345.405 4.393 20 10 EICDMO CC[C@@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1ccc(F)cc1O ZINC000796694405 1047480508 /nfs/dbraw/zinc/48/05/08/1047480508.db2.gz NAGHEAKFPVREQP-GOSISDBHSA-N 1 1 344.430 4.489 20 10 EICDMO C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cnn(CC2CCC2)c1 ZINC000898178673 1047573890 /nfs/dbraw/zinc/57/38/90/1047573890.db2.gz DGOHYRBBJJTNOX-NSHDSACASA-N 1 1 337.826 4.032 20 10 EICDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCC[C@@](C)(O)CC2)cc1 ZINC000824314010 1047852655 /nfs/dbraw/zinc/85/26/55/1047852655.db2.gz FTRVOVHFGKUTPR-HXUWFJFHSA-N 1 1 344.524 4.121 20 10 EICDMO COc1cccc(C[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)c1O ZINC000814178929 1047868173 /nfs/dbraw/zinc/86/81/73/1047868173.db2.gz JFYFZXCDLYDTPA-MRXNPFEDSA-N 1 1 349.883 4.421 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1cn(C2CCC2)nn1)C1CCCCC1 ZINC000824485023 1047873983 /nfs/dbraw/zinc/87/39/83/1047873983.db2.gz YQPXEPTXTJTJMB-UHFFFAOYSA-N 1 1 340.471 4.044 20 10 EICDMO Cc1cc([C@@H](C)[NH2+]Cc2cccc(Br)c2O)ccc1F ZINC000824548716 1047884520 /nfs/dbraw/zinc/88/45/20/1047884520.db2.gz MMUHFPBWHVYARL-LLVKDONJSA-N 1 1 338.220 4.453 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)c1 ZINC000808444596 1047906339 /nfs/dbraw/zinc/90/63/39/1047906339.db2.gz OUXMLMXBFRSWLU-BDJLRTHQSA-N 1 1 348.240 4.075 20 10 EICDMO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(Br)cc1O ZINC000824775843 1047931826 /nfs/dbraw/zinc/93/18/26/1047931826.db2.gz CCWRWQYIMXMCJS-LLVKDONJSA-N 1 1 336.229 4.053 20 10 EICDMO CC[N@@H+](Cc1nc2ccccc2s1)Cc1ccc(N(C)C)cc1 ZINC001136958136 1047989427 /nfs/dbraw/zinc/98/94/27/1047989427.db2.gz ZVWNHHCZFCGMDG-UHFFFAOYSA-N 1 1 325.481 4.384 20 10 EICDMO CCCN(CCC)c1ccc(C[NH2+][C@@H](C)c2nccn2CC)cc1 ZINC000825005860 1048009468 /nfs/dbraw/zinc/00/94/68/1048009468.db2.gz UFXUNYHESARLKY-KRWDZBQOSA-N 1 1 328.504 4.380 20 10 EICDMO COc1cc(C[N@@H+](C)[C@@H](C)c2ccncc2)c(O)c(C(C)(C)C)c1 ZINC000825501931 1048104619 /nfs/dbraw/zinc/10/46/19/1048104619.db2.gz SPXWLPFYOHWVHR-AWEZNQCLSA-N 1 1 328.456 4.286 20 10 EICDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000825510306 1048107850 /nfs/dbraw/zinc/10/78/50/1048107850.db2.gz ZYIFQARBCIDNJZ-LRDDRELGSA-N 1 1 347.256 4.133 20 10 EICDMO Cc1cc(C[N@H+](C)Cc2nc3c(s2)CCCC3)ccc1N(C)C ZINC000815056779 1048306207 /nfs/dbraw/zinc/30/62/07/1048306207.db2.gz AGPCZTYVFZOFJA-UHFFFAOYSA-N 1 1 329.513 4.028 20 10 EICDMO Cc1cc(C[N@@H+](C)Cc2nc3c(s2)CCCC3)ccc1N(C)C ZINC000815056779 1048306219 /nfs/dbraw/zinc/30/62/19/1048306219.db2.gz AGPCZTYVFZOFJA-UHFFFAOYSA-N 1 1 329.513 4.028 20 10 EICDMO Oc1ccc(Cl)cc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000809699994 1048465104 /nfs/dbraw/zinc/46/51/04/1048465104.db2.gz VPEBRQGUGGHARZ-QRVBRYPASA-N 1 1 343.854 4.050 20 10 EICDMO C[C@H](CO)[N@H+](Cc1cc(-c2ccccc2)ccc1O)CC1CCC1 ZINC000809664074 1048469104 /nfs/dbraw/zinc/46/91/04/1048469104.db2.gz ADLWCIRPFQSSAD-MRXNPFEDSA-N 1 1 325.452 4.042 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)cc1F ZINC000809728757 1048480081 /nfs/dbraw/zinc/48/00/81/1048480081.db2.gz GXBCBRJYZNVRGC-IBGZPJMESA-N 1 1 327.447 4.404 20 10 EICDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@H]2c2cccnc2)c1O ZINC000809729029 1048482196 /nfs/dbraw/zinc/48/21/96/1048482196.db2.gz OUAIONHOFHUBDH-INIZCTEOSA-N 1 1 347.256 4.195 20 10 EICDMO Oc1ccc2oc3c(c2c1C[N@H+]1CC[C@]2(CC2(F)F)C1)CCCC3 ZINC000844756738 1048492726 /nfs/dbraw/zinc/49/27/26/1048492726.db2.gz LPVBYEIEIQESNQ-SFHVURJKSA-N 1 1 333.378 4.248 20 10 EICDMO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000809716002 1048496601 /nfs/dbraw/zinc/49/66/01/1048496601.db2.gz PGELWEISHJWUKH-GCJKJVERSA-N 1 1 336.479 4.106 20 10 EICDMO Oc1ccc(F)cc1C[N@@H+](CCc1ccccc1)Cc1ccncc1 ZINC000809737534 1048508128 /nfs/dbraw/zinc/50/81/28/1048508128.db2.gz WNDVXMJIQDQLMB-UHFFFAOYSA-N 1 1 336.410 4.171 20 10 EICDMO Cc1cc(Br)cc(C[N@H+]2CCc3cccc(O)c3C2)c1 ZINC001144222001 1048514347 /nfs/dbraw/zinc/51/43/47/1048514347.db2.gz KNVSFVHMDCOXIQ-UHFFFAOYSA-N 1 1 332.241 4.021 20 10 EICDMO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000809758284 1048521320 /nfs/dbraw/zinc/52/13/20/1048521320.db2.gz IPHUKFZFABFZSA-SFTDATJTSA-N 1 1 342.527 4.316 20 10 EICDMO CC[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)C1CCOCC1 ZINC000815585846 1048522100 /nfs/dbraw/zinc/52/21/00/1048522100.db2.gz UKFIWHQWTBLXOG-NHYWBVRUSA-N 1 1 331.378 4.267 20 10 EICDMO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000809756813 1048522835 /nfs/dbraw/zinc/52/28/35/1048522835.db2.gz JVCXDBROXNYMHK-IBGZPJMESA-N 1 1 326.488 4.210 20 10 EICDMO C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1O ZINC000815586043 1048523100 /nfs/dbraw/zinc/52/31/00/1048523100.db2.gz YDUCDRPCXNNWOF-NSHDSACASA-N 1 1 347.377 4.184 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+](Cc2cccnc2)C2CC2)c1 ZINC000809763913 1048523318 /nfs/dbraw/zinc/52/33/18/1048523318.db2.gz SLQOOXZOQWPGOG-UHFFFAOYSA-N 1 1 347.256 4.023 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@@H+](Cc2cccnc2)C2CC2)c1 ZINC000809763913 1048523331 /nfs/dbraw/zinc/52/33/31/1048523331.db2.gz SLQOOXZOQWPGOG-UHFFFAOYSA-N 1 1 347.256 4.023 20 10 EICDMO Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815585521 1048523986 /nfs/dbraw/zinc/52/39/86/1048523986.db2.gz JYSKPLGQRXCFNU-MLGOLLRUSA-N 1 1 339.357 4.104 20 10 EICDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000809781152 1048529371 /nfs/dbraw/zinc/52/93/71/1048529371.db2.gz PGOBBXSHIWCEPT-INIZCTEOSA-N 1 1 345.439 4.001 20 10 EICDMO C[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1cccc(C(F)(F)F)c1O ZINC000815614273 1048540155 /nfs/dbraw/zinc/54/01/55/1048540155.db2.gz KYSZOLKWBMZLHL-GWCFXTLKSA-N 1 1 331.378 4.408 20 10 EICDMO C[C@@H](NCc1ccc(C[NH3+])cc1F)c1ccc(N2CCCCC2)cc1 ZINC000844924664 1048549046 /nfs/dbraw/zinc/54/90/46/1048549046.db2.gz PIIDYOUVJKJQJM-MRXNPFEDSA-N 1 1 341.474 4.126 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1)c1ccc(F)cc1O ZINC000815647679 1048574048 /nfs/dbraw/zinc/57/40/48/1048574048.db2.gz RCUKCPPATPBQGA-QWHCGFSZSA-N 1 1 343.377 4.268 20 10 EICDMO C[N@@H+](CCc1cccs1)Cc1cc(Br)c(F)cc1O ZINC001144299974 1048575629 /nfs/dbraw/zinc/57/56/29/1048575629.db2.gz NWVKEQQJELLZKL-UHFFFAOYSA-N 1 1 344.249 4.030 20 10 EICDMO C[N@H+](CCc1cccs1)Cc1cc(Br)c(F)cc1O ZINC001144299974 1048575615 /nfs/dbraw/zinc/57/56/15/1048575615.db2.gz NWVKEQQJELLZKL-UHFFFAOYSA-N 1 1 344.249 4.030 20 10 EICDMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc3ccccc3c1O)CC2 ZINC000816481137 1048810461 /nfs/dbraw/zinc/81/04/61/1048810461.db2.gz KHHVCQMBPDBKCV-UHFFFAOYSA-N 1 1 349.430 4.121 20 10 EICDMO Oc1c(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)ccc2ccccc21 ZINC000816495616 1048815696 /nfs/dbraw/zinc/81/56/96/1048815696.db2.gz CLAIJLONAZRNNC-LJQANCHMSA-N 1 1 337.419 4.320 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1cccc(Br)c1 ZINC000816543647 1048826979 /nfs/dbraw/zinc/82/69/79/1048826979.db2.gz IWPGPYUPHFISQQ-UHFFFAOYSA-N 1 1 344.611 4.237 20 10 EICDMO Oc1c(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)ccc2ccccc21 ZINC000816515214 1048822751 /nfs/dbraw/zinc/82/27/51/1048822751.db2.gz SEWQMQMCSDLZII-QHCPKHFHSA-N 1 1 345.442 4.219 20 10 EICDMO CC(C)OCc1ccccc1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816531741 1048825723 /nfs/dbraw/zinc/82/57/23/1048825723.db2.gz CVGSKMRBAGWODU-UHFFFAOYSA-N 1 1 337.822 4.400 20 10 EICDMO COc1ccc([C@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)cc1F ZINC000816530687 1048825914 /nfs/dbraw/zinc/82/59/14/1048825914.db2.gz QUBZQZFYMRJKDN-VIFPVBQESA-N 1 1 327.758 4.183 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000816535105 1048826050 /nfs/dbraw/zinc/82/60/50/1048826050.db2.gz FNROULFEZWWABB-UHFFFAOYSA-N 1 1 349.833 4.023 20 10 EICDMO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816589008 1048831979 /nfs/dbraw/zinc/83/19/79/1048831979.db2.gz IPCVONFFEQEXHY-LBPRGKRZSA-N 1 1 325.733 4.348 20 10 EICDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816589008 1048831981 /nfs/dbraw/zinc/83/19/81/1048831981.db2.gz IPCVONFFEQEXHY-LBPRGKRZSA-N 1 1 325.733 4.348 20 10 EICDMO Cc1cnc([C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C2CC2)s1 ZINC000816554398 1048834520 /nfs/dbraw/zinc/83/45/20/1048834520.db2.gz XREOFUBPBDENSN-CQSZACIVSA-N 1 1 326.824 4.191 20 10 EICDMO CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816560697 1048835401 /nfs/dbraw/zinc/83/54/01/1048835401.db2.gz XNVAZODAQUVJLS-DYZYQPBXSA-N 1 1 341.785 4.190 20 10 EICDMO OCC1([C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)c2ccccc2)CCC1 ZINC000816631148 1048842667 /nfs/dbraw/zinc/84/26/67/1048842667.db2.gz HQCZFFNCQUTOIE-GOSISDBHSA-N 1 1 349.833 4.178 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000816665935 1048852305 /nfs/dbraw/zinc/85/23/05/1048852305.db2.gz AJSCIFGLXYCICL-YADHBBJMSA-N 1 1 335.447 4.203 20 10 EICDMO CCN(Cc1ccccc1)c1ccc(C[N@H+]2CCC[C@@H](O)CC2)cc1 ZINC000816667817 1048854873 /nfs/dbraw/zinc/85/48/73/1048854873.db2.gz XSGWBGCHNWVBGW-JOCHJYFZSA-N 1 1 338.495 4.060 20 10 EICDMO Cc1nsc(C)c1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000846825431 1048899984 /nfs/dbraw/zinc/89/99/84/1048899984.db2.gz VLPKLTHBSRMTBF-UHFFFAOYSA-N 1 1 328.437 4.261 20 10 EICDMO Cc1nsc(C)c1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000846825431 1048899987 /nfs/dbraw/zinc/89/99/87/1048899987.db2.gz VLPKLTHBSRMTBF-UHFFFAOYSA-N 1 1 328.437 4.261 20 10 EICDMO C[C@H]([NH2+]C[C@H](N)c1ccccc1)c1cc(Cl)c(Cl)cc1O ZINC000817955292 1049066448 /nfs/dbraw/zinc/06/64/48/1049066448.db2.gz VFQUMOUXQVFUJW-BONVTDFDSA-N 1 1 325.239 4.050 20 10 EICDMO Cc1cc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c(O)c(C(C)(C)C)c1 ZINC000811804057 1049272519 /nfs/dbraw/zinc/27/25/19/1049272519.db2.gz ZTKBKTNDGVDOCQ-INIZCTEOSA-N 1 1 347.890 4.295 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CC3(CCC3)[C@H]1C1CCOCC1)CCCC2 ZINC000819903396 1049386546 /nfs/dbraw/zinc/38/65/46/1049386546.db2.gz WTPQIWNGKYDIHP-OAQYLSRUSA-N 1 1 341.495 4.052 20 10 EICDMO Oc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000773255404 1049675222 /nfs/dbraw/zinc/67/52/22/1049675222.db2.gz AKVBBGATRAVCNN-DLBZAZTESA-N 1 1 325.452 4.184 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000179585944 1049680187 /nfs/dbraw/zinc/68/01/87/1049680187.db2.gz CQIOHZDULKNOIJ-HXUWFJFHSA-N 1 1 339.460 4.190 20 10 EICDMO C[C@H](c1ccccc1)[N@H+](Cc1ccccc1O)CC1CCOCC1 ZINC000179643079 1049704134 /nfs/dbraw/zinc/70/41/34/1049704134.db2.gz ICHPWUCNNYDRHE-QGZVFWFLSA-N 1 1 325.452 4.382 20 10 EICDMO Cc1cc(C[N@@H+]2CCN(C)[C@@H](C(C)(C)C)C2)ccc1N1CCCCC1 ZINC001171653320 1049771200 /nfs/dbraw/zinc/77/12/00/1049771200.db2.gz DBNGRQILSREPAK-OAQYLSRUSA-N 1 1 343.559 4.147 20 10 EICDMO Cc1cc(CN2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)ccc1N1CCCCC1 ZINC001171653320 1049771209 /nfs/dbraw/zinc/77/12/09/1049771209.db2.gz DBNGRQILSREPAK-OAQYLSRUSA-N 1 1 343.559 4.147 20 10 EICDMO Cc1cc(CN2CC[N@H+](C)[C@@H](C(C)(C)C)C2)ccc1N1CCCCC1 ZINC001171653320 1049771215 /nfs/dbraw/zinc/77/12/15/1049771215.db2.gz DBNGRQILSREPAK-OAQYLSRUSA-N 1 1 343.559 4.147 20 10 EICDMO Cc1ccc(CC[C@H](C)[N@H+]2CCCc3cc(O)c(O)cc3C2)cc1 ZINC001171681325 1049777226 /nfs/dbraw/zinc/77/72/26/1049777226.db2.gz DZMDHMRDEPDTNF-INIZCTEOSA-N 1 1 325.452 4.176 20 10 EICDMO CCSc1cccc(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)c1 ZINC000813885750 1049831812 /nfs/dbraw/zinc/83/18/12/1049831812.db2.gz WKDBXKRJNOIZHJ-CYBMUJFWSA-N 1 1 345.464 4.142 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)[C@H]1OCCc2sccc21 ZINC000813885809 1049831840 /nfs/dbraw/zinc/83/18/40/1049831840.db2.gz XTJVBCOFIMTQMD-YAXFVEMYSA-N 1 1 339.407 4.085 20 10 EICDMO Cc1nc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)s1 ZINC000772875130 1049870936 /nfs/dbraw/zinc/87/09/36/1049870936.db2.gz KHXRFVYOOLIMEK-KBPBESRZSA-N 1 1 345.512 4.008 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H]2C[C@H]2C2CCCC2)c1 ZINC001204090884 1049952736 /nfs/dbraw/zinc/95/27/36/1049952736.db2.gz YUYVRDNWJBRJGO-HIFRSBDPSA-N 1 1 338.289 4.379 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C1CC(C)(C)OC(C)(C)C1 ZINC001172658464 1049958146 /nfs/dbraw/zinc/95/81/46/1049958146.db2.gz RZNKXOAQNZKNPJ-UHFFFAOYSA-N 1 1 330.516 4.455 20 10 EICDMO CN1CCN(c2ccc(C[NH2+]C3CCC4(CCCC4)CC3)cc2)CC1 ZINC001172725923 1049966732 /nfs/dbraw/zinc/96/67/32/1049966732.db2.gz ROAWCILHTGLARI-UHFFFAOYSA-N 1 1 341.543 4.031 20 10 EICDMO C[C@@H]1CCc2ccccc2N1CC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC001177827899 1050298388 /nfs/dbraw/zinc/29/83/88/1050298388.db2.gz FQRUPWOJLUJGLN-CYBMUJFWSA-N 1 1 348.849 4.116 20 10 EICDMO CCS[C@@H]1CCCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC001179892869 1050803560 /nfs/dbraw/zinc/80/35/60/1050803560.db2.gz VCJJXXSKHLXQEL-GFCCVEGCSA-N 1 1 344.318 4.262 20 10 EICDMO COc1cccc(C[N@H+](Cc2cc(C)cc(OC)c2O)CC(C)C)c1 ZINC001180153602 1050901880 /nfs/dbraw/zinc/90/18/80/1050901880.db2.gz JNFXSJYGECWCAP-UHFFFAOYSA-N 1 1 343.467 4.376 20 10 EICDMO CC(C)c1cnc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000182948677 1050903935 /nfs/dbraw/zinc/90/39/35/1050903935.db2.gz SRULFQUMYRFIAE-INIZCTEOSA-N 1 1 346.496 4.153 20 10 EICDMO CC(C)c1cnc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000182948677 1050903949 /nfs/dbraw/zinc/90/39/49/1050903949.db2.gz SRULFQUMYRFIAE-INIZCTEOSA-N 1 1 346.496 4.153 20 10 EICDMO C[N@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCCN(c2ccccc2)C1 ZINC001180203751 1050911502 /nfs/dbraw/zinc/91/15/02/1050911502.db2.gz ZCOARDWACHJZES-MRXNPFEDSA-N 1 1 348.849 4.286 20 10 EICDMO C[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCCN(c2ccccc2)C1 ZINC001180203751 1050911513 /nfs/dbraw/zinc/91/15/13/1050911513.db2.gz ZCOARDWACHJZES-MRXNPFEDSA-N 1 1 348.849 4.286 20 10 EICDMO COc1cc(C)cc(C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)c1O ZINC001180244533 1050935286 /nfs/dbraw/zinc/93/52/86/1050935286.db2.gz FMQGZCVWPDWLHY-OAQYLSRUSA-N 1 1 348.446 4.116 20 10 EICDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCC[C@H]2C(C)(C)O)cc1 ZINC001180697568 1051066225 /nfs/dbraw/zinc/06/62/25/1051066225.db2.gz IIIDFMNNEKMLAK-IBGZPJMESA-N 1 1 344.524 4.120 20 10 EICDMO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(N(C)C)cc1C ZINC001180961688 1051122005 /nfs/dbraw/zinc/12/20/05/1051122005.db2.gz GDNUTUIPHUHWLU-JOCHJYFZSA-N 1 1 340.511 4.224 20 10 EICDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ncc(-c3ccccc3C)o2)c1 ZINC000775369877 1051143078 /nfs/dbraw/zinc/14/30/78/1051143078.db2.gz BGEHEABGEHXPJS-CQSZACIVSA-N 1 1 338.407 4.215 20 10 EICDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCCO1 ZINC001182097931 1051398729 /nfs/dbraw/zinc/39/87/29/1051398729.db2.gz BFWQJUIVRHJJPT-KRWDZBQOSA-N 1 1 344.421 4.018 20 10 EICDMO CCC[N@@H+](CCSc1cccc(OC)c1)Cc1ccccc1O ZINC001191279659 1051416185 /nfs/dbraw/zinc/41/61/85/1051416185.db2.gz XSKBLMQUVGOGGW-UHFFFAOYSA-N 1 1 331.481 4.405 20 10 EICDMO C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774142565 1051462720 /nfs/dbraw/zinc/46/27/20/1051462720.db2.gz IEZGHZQXJODUBV-YUMQZZPRSA-N 1 1 346.176 4.317 20 10 EICDMO C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1cc(Cl)c(Cl)cc1O ZINC000774120905 1051464399 /nfs/dbraw/zinc/46/43/99/1051464399.db2.gz VZTDCZPYYAOUJL-IINYFYTJSA-N 1 1 343.254 4.246 20 10 EICDMO C[C@H]([NH2+]CCc1ccccc1O)c1cc(Cl)c(Cl)cc1O ZINC000774164755 1051489024 /nfs/dbraw/zinc/48/90/24/1051489024.db2.gz XKOQAZLFMRBGBF-JTQLQIEISA-N 1 1 326.223 4.298 20 10 EICDMO CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774204310 1051500103 /nfs/dbraw/zinc/50/01/03/1051500103.db2.gz SSLHDRHPNLNNSN-NWDGAFQWSA-N 1 1 334.287 4.394 20 10 EICDMO Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774183604 1051506713 /nfs/dbraw/zinc/50/67/13/1051506713.db2.gz NHDICFFBOMQVKY-DIFFPNOSSA-N 1 1 340.250 4.392 20 10 EICDMO C[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1cc(Cl)c(Cl)cc1O ZINC000774245987 1051519635 /nfs/dbraw/zinc/51/96/35/1051519635.db2.gz WSKSMWYGTBAVCB-VFZGTOFNSA-N 1 1 344.213 4.222 20 10 EICDMO C[C@H]1[C@@H](C)[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@H]1C ZINC001182452506 1051580067 /nfs/dbraw/zinc/58/00/67/1051580067.db2.gz OFYYEMKTNZJHGQ-BRWVUGGUSA-N 1 1 325.452 4.448 20 10 EICDMO COc1cc(O)c(C[N@H+]2CC[C@H]([C@@H]3CCCC3(C)C)C2)cc1OC ZINC001182534580 1051632946 /nfs/dbraw/zinc/63/29/46/1051632946.db2.gz WPLVVMHNXZSPAZ-HOCLYGCPSA-N 1 1 333.472 4.058 20 10 EICDMO Cc1cc(C[NH2+]Cc2nc(Cl)cs2)c(C)n1-c1ccccc1 ZINC001183279209 1051812789 /nfs/dbraw/zinc/81/27/89/1051812789.db2.gz BAWWKBHPTFTJFE-UHFFFAOYSA-N 1 1 331.872 4.494 20 10 EICDMO CCc1cc(Br)ccc1C[N@@H+](C)Cc1ccccc1O ZINC001237750515 1051867581 /nfs/dbraw/zinc/86/75/81/1051867581.db2.gz RRWDUINRLPUTNH-UHFFFAOYSA-N 1 1 334.257 4.349 20 10 EICDMO Oc1c(C[N@H+]2CCC[C@H](Cc3nccs3)C2)ccc2ccccc21 ZINC001183886712 1051914472 /nfs/dbraw/zinc/91/44/72/1051914472.db2.gz UQDYPLYJOPXEAF-OAHLLOKOSA-N 1 1 338.476 4.457 20 10 EICDMO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001193448961 1051920380 /nfs/dbraw/zinc/92/03/80/1051920380.db2.gz YPRLFTHAQGYFFU-FOIQADDNSA-N 1 1 344.886 4.368 20 10 EICDMO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001193448961 1051920387 /nfs/dbraw/zinc/92/03/87/1051920387.db2.gz YPRLFTHAQGYFFU-FOIQADDNSA-N 1 1 344.886 4.368 20 10 EICDMO Cc1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)ccc1N1CCCCC1 ZINC001194306891 1052125444 /nfs/dbraw/zinc/12/54/44/1052125444.db2.gz MXRLJKBIUUXHPJ-LEWJYISDSA-N 1 1 328.500 4.129 20 10 EICDMO CCOc1ccc([C@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)cc1 ZINC000774835860 1052184472 /nfs/dbraw/zinc/18/44/72/1052184472.db2.gz OCXKMRASGQLHRH-LBPRGKRZSA-N 1 1 347.842 4.498 20 10 EICDMO COc1c(O)c(C[N@H+]2CCCCC[C@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000774883492 1052244214 /nfs/dbraw/zinc/24/42/14/1052244214.db2.gz FZMUGJDVYKLOKE-AWEZNQCLSA-N 1 1 346.383 4.019 20 10 EICDMO C[C@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cc(F)ccc1O ZINC000184919885 1052309235 /nfs/dbraw/zinc/30/92/35/1052309235.db2.gz JPUXBIQFNPVLSP-KXBFYZLASA-N 1 1 328.431 4.019 20 10 EICDMO CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000185358190 1052589299 /nfs/dbraw/zinc/58/92/99/1052589299.db2.gz GWPKKMWMIDPMFU-DLBZAZTESA-N 1 1 326.484 4.316 20 10 EICDMO CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000185358190 1052589308 /nfs/dbraw/zinc/58/93/08/1052589308.db2.gz GWPKKMWMIDPMFU-DLBZAZTESA-N 1 1 326.484 4.316 20 10 EICDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000131184537 1052592464 /nfs/dbraw/zinc/59/24/64/1052592464.db2.gz YDTRFQBAQULUFZ-MRXNPFEDSA-N 1 1 331.843 4.084 20 10 EICDMO CC(C)[C@H](O)[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccccc1 ZINC000850395441 1053163510 /nfs/dbraw/zinc/16/35/10/1053163510.db2.gz SHEFINXWIGCDKL-MSOLQXFVSA-N 1 1 337.822 4.033 20 10 EICDMO C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc2ccccc2c1[O-] ZINC000850581514 1053331213 /nfs/dbraw/zinc/33/12/13/1053331213.db2.gz FZVFIRNKDHOLKB-MRXNPFEDSA-N 1 1 338.495 4.318 20 10 EICDMO CC[N@@H+](CCCc1ccncc1)Cc1cc(Br)ccc1O ZINC000764959229 1053393885 /nfs/dbraw/zinc/39/38/85/1053393885.db2.gz BHQIEUNFTXIHJW-UHFFFAOYSA-N 1 1 349.272 4.004 20 10 EICDMO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+](C)Cc1ccccc1O ZINC000109770877 1053421946 /nfs/dbraw/zinc/42/19/46/1053421946.db2.gz VTCZSAMGMNSTMA-OAHLLOKOSA-N 1 1 334.419 4.004 20 10 EICDMO CC[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(C)cc1O ZINC000794826708 1053440176 /nfs/dbraw/zinc/44/01/76/1053440176.db2.gz CXCYDADVWZBXHC-TZIWHRDSSA-N 1 1 338.495 4.263 20 10 EICDMO C[N@H+](Cc1cc(C2CC2)no1)Cc1ccc(N2CCCCC2)cc1 ZINC000851716395 1053507982 /nfs/dbraw/zinc/50/79/82/1053507982.db2.gz LZHFKZNZELTEDO-UHFFFAOYSA-N 1 1 325.456 4.174 20 10 EICDMO C[N@@H+](Cc1cc(C2CC2)no1)Cc1ccc(N2CCCCC2)cc1 ZINC000851716395 1053507994 /nfs/dbraw/zinc/50/79/94/1053507994.db2.gz LZHFKZNZELTEDO-UHFFFAOYSA-N 1 1 325.456 4.174 20 10 EICDMO CC[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000780754942 1053668876 /nfs/dbraw/zinc/66/88/76/1053668876.db2.gz RKTKSALUYRBSST-PZJWPPBQSA-N 1 1 330.516 4.314 20 10 EICDMO CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1cccc(OC)c1OC ZINC000866508445 1053758089 /nfs/dbraw/zinc/75/80/89/1053758089.db2.gz NNNBZLZMKSNMGJ-WBMJQRKESA-N 1 1 333.403 4.350 20 10 EICDMO C[C@H]([NH2+][C@H]1CCCn2nccc21)c1cc(Cl)c(Cl)cc1O ZINC000866632873 1053811472 /nfs/dbraw/zinc/81/14/72/1053811472.db2.gz CZBHDOQXGJURQO-ZANVPECISA-N 1 1 326.227 4.081 20 10 EICDMO CN(c1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)cc1)C1CCCCC1 ZINC000857851131 1054372265 /nfs/dbraw/zinc/37/22/65/1054372265.db2.gz IDFHPZMNUYUPJP-FQEVSTJZSA-N 1 1 338.499 4.346 20 10 EICDMO CC[C@@H]([NH2+]Cc1c(O)cccc1Br)c1nc(C)cs1 ZINC000858129222 1054420242 /nfs/dbraw/zinc/42/02/42/1054420242.db2.gz MRZRIJSGLKFTAX-GFCCVEGCSA-N 1 1 341.274 4.161 20 10 EICDMO CN(C)c1cc(F)c(C[NH2+][C@@H]2CSCc3ccccc32)cc1F ZINC000858118028 1054421258 /nfs/dbraw/zinc/42/12/58/1054421258.db2.gz LEWJWSPYGGXLFG-QGZVFWFLSA-N 1 1 334.435 4.109 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCOc1cccc(Cl)c1 ZINC001199571322 1054425906 /nfs/dbraw/zinc/42/59/06/1054425906.db2.gz NOKCSOSQBZFSLD-UHFFFAOYSA-N 1 1 330.186 4.007 20 10 EICDMO C[C@@H](c1ccccc1)[N@H+](CC[C@H]1CCCN1C)Cc1ccccc1O ZINC000776002534 1054437862 /nfs/dbraw/zinc/43/78/62/1054437862.db2.gz FDLVKUNDHUMBEE-GHTZIAJQSA-N 1 1 338.495 4.440 20 10 EICDMO C[C@@H](c1ccccc1)[N@@H+](CC[C@H]1CCCN1C)Cc1ccccc1O ZINC000776002534 1054437867 /nfs/dbraw/zinc/43/78/67/1054437867.db2.gz FDLVKUNDHUMBEE-GHTZIAJQSA-N 1 1 338.495 4.440 20 10 EICDMO C[C@@H](c1ccccc1)N(CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1O ZINC000776002534 1054437872 /nfs/dbraw/zinc/43/78/72/1054437872.db2.gz FDLVKUNDHUMBEE-GHTZIAJQSA-N 1 1 338.495 4.440 20 10 EICDMO C[C@@H](c1ccccc1)N(CC[C@H]1CCC[N@H+]1C)Cc1ccccc1O ZINC000776002534 1054437880 /nfs/dbraw/zinc/43/78/80/1054437880.db2.gz FDLVKUNDHUMBEE-GHTZIAJQSA-N 1 1 338.495 4.440 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@@H]2C)c1O ZINC000776013721 1054447756 /nfs/dbraw/zinc/44/77/56/1054447756.db2.gz NWWJCVBDHIDETN-JOYOIKCWSA-N 1 1 337.769 4.217 20 10 EICDMO C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000858490528 1054498731 /nfs/dbraw/zinc/49/87/31/1054498731.db2.gz JUZDEMCKRHVVGQ-NWDGAFQWSA-N 1 1 331.287 4.082 20 10 EICDMO Oc1ccccc1C[N@H+]1CCC[C@H]1c1ccccc1Br ZINC001203550077 1054652533 /nfs/dbraw/zinc/65/25/33/1054652533.db2.gz GXJHOQRFTFGWEV-INIZCTEOSA-N 1 1 332.241 4.492 20 10 EICDMO Cn1c[nH+]c2cc(NCc3ccc(Br)cc3F)ccc21 ZINC001201114982 1054667010 /nfs/dbraw/zinc/66/70/10/1054667010.db2.gz UYZAXEOTZASKAM-UHFFFAOYSA-N 1 1 334.192 4.087 20 10 EICDMO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(Br)c1O)CC2 ZINC000776174637 1054801588 /nfs/dbraw/zinc/80/15/88/1054801588.db2.gz QQYLGHIJUGBTFK-INIZCTEOSA-N 1 1 332.241 4.240 20 10 EICDMO OC1CCN(c2ccc(C[N@H+]3CCC[C@@H]3c3cccs3)cc2)CC1 ZINC000876544468 1054927330 /nfs/dbraw/zinc/92/73/30/1054927330.db2.gz ULSALUSWBAVENF-LJQANCHMSA-N 1 1 342.508 4.046 20 10 EICDMO OC1CCN(c2ccc(C[N@H+]3CCC[C@@H]3c3ccsc3)cc2)CC1 ZINC000876579808 1054931358 /nfs/dbraw/zinc/93/13/58/1054931358.db2.gz LZTJPKKGTMWIDO-HXUWFJFHSA-N 1 1 342.508 4.046 20 10 EICDMO Cc1cccc(O)c1C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000876752707 1054955436 /nfs/dbraw/zinc/95/54/36/1054955436.db2.gz WVERFDFXYNPPPP-UHFFFAOYSA-N 1 1 327.268 4.017 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1ccc2[nH]ccc2c1)C[C@@H]1CCCO1 ZINC000862213658 1055029615 /nfs/dbraw/zinc/02/96/15/1055029615.db2.gz RZHSFKWYNXCGQC-IBGZPJMESA-N 1 1 336.435 4.055 20 10 EICDMO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1c(O)cccc1Br ZINC000862243390 1055034701 /nfs/dbraw/zinc/03/47/01/1055034701.db2.gz ZPZXHELZZOHFNY-NSHDSACASA-N 1 1 336.229 4.053 20 10 EICDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1c(O)cccc1Br ZINC000862243390 1055034714 /nfs/dbraw/zinc/03/47/14/1055034714.db2.gz ZPZXHELZZOHFNY-NSHDSACASA-N 1 1 336.229 4.053 20 10 EICDMO Cc1ccc(C[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c(O)c1 ZINC000877336579 1055042379 /nfs/dbraw/zinc/04/23/79/1055042379.db2.gz KNAGVWVSEADRNA-QUCCMNQESA-N 1 1 329.415 4.192 20 10 EICDMO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3ccc(C)cc3O)n2)cc1 ZINC000877472662 1055057852 /nfs/dbraw/zinc/05/78/52/1055057852.db2.gz YQDLEMCDUFWKEC-AWEZNQCLSA-N 1 1 337.423 4.164 20 10 EICDMO Cc1ccc(C[N@@H+]2CCCC[C@H]2c2nnc(C3CCC3)o2)c(O)c1 ZINC000877523764 1055071257 /nfs/dbraw/zinc/07/12/57/1055071257.db2.gz NYCYNGMMNTXNAI-INIZCTEOSA-N 1 1 327.428 4.078 20 10 EICDMO Cc1ccc(C[N@H+]2CCCC[C@H]2c2nnc(C3CCC3)o2)c(O)c1 ZINC000877523764 1055071270 /nfs/dbraw/zinc/07/12/70/1055071270.db2.gz NYCYNGMMNTXNAI-INIZCTEOSA-N 1 1 327.428 4.078 20 10 EICDMO Cc1cc(C[N@@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)ncn1 ZINC000794452280 1055123712 /nfs/dbraw/zinc/12/37/12/1055123712.db2.gz ANZRHEWKIILBBB-QGZVFWFLSA-N 1 1 333.435 4.254 20 10 EICDMO Cc1ccc(CCC[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000776265809 1055130667 /nfs/dbraw/zinc/13/06/67/1055130667.db2.gz QKAJOPYXLOXWTO-UHFFFAOYSA-N 1 1 337.511 4.445 20 10 EICDMO CC(C)c1nc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)cs1 ZINC000186297924 1055332810 /nfs/dbraw/zinc/33/28/10/1055332810.db2.gz AAOQEQFKAMRNIN-CQSZACIVSA-N 1 1 329.513 4.500 20 10 EICDMO CCN(C)c1ccc(C[N@H+](C)Cc2nc3ccccc3s2)cc1 ZINC000741752626 1058359543 /nfs/dbraw/zinc/35/95/43/1058359543.db2.gz CZOAVKXXEHGUHR-UHFFFAOYSA-N 1 1 325.481 4.384 20 10 EICDMO CCN(C)c1ccc(C[N@@H+](C)Cc2nc3ccccc3s2)cc1 ZINC000741752626 1058359558 /nfs/dbraw/zinc/35/95/58/1058359558.db2.gz CZOAVKXXEHGUHR-UHFFFAOYSA-N 1 1 325.481 4.384 20 10 EICDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@H]2c2cccc(F)c2)c1 ZINC000743390765 1058973230 /nfs/dbraw/zinc/97/32/30/1058973230.db2.gz RRRSSDMMLVJCNQ-KRWDZBQOSA-N 1 1 329.415 4.481 20 10 EICDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@H]2c2cccc(F)c2)c1 ZINC000743390765 1058973252 /nfs/dbraw/zinc/97/32/52/1058973252.db2.gz RRRSSDMMLVJCNQ-KRWDZBQOSA-N 1 1 329.415 4.481 20 10 EICDMO COc1ccc2ccc(O)c(C[N@H+]3CCS[C@@H](C(C)C)C3)c2c1 ZINC000743396357 1058975312 /nfs/dbraw/zinc/97/53/12/1058975312.db2.gz RCWWJDWAZRFICQ-LJQANCHMSA-N 1 1 331.481 4.127 20 10 EICDMO CCCC[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccccc1O ZINC001169754344 1060943503 /nfs/dbraw/zinc/94/35/03/1060943503.db2.gz KWNQBUYNXYLKGW-UHFFFAOYSA-N 1 1 346.858 4.286 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)c1ncc[nH]1 ZINC000287698019 1019919209 /nfs/dbraw/zinc/91/92/09/1019919209.db2.gz WZUGARCHJVQWBT-ZIAGYGMSSA-N 1 1 332.879 4.150 20 10 EICDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccc2nsnc21 ZINC001167107854 1020184165 /nfs/dbraw/zinc/18/41/65/1020184165.db2.gz IJEPNBDUYHXDMG-UHFFFAOYSA-N 1 1 340.496 4.168 20 10 EICDMO CC[C@H]([NH2+][C@H](c1nccn1C)c1cccc(F)c1)c1ccccc1O ZINC000155044990 1020201003 /nfs/dbraw/zinc/20/10/03/1020201003.db2.gz JWKSVAVRYIXTKE-HKUYNNGSSA-N 1 1 339.414 4.095 20 10 EICDMO COc1cccc(C[N@H+](C)Cc2c(O)ccc3ccc(OC)cc32)c1 ZINC000023383734 1021458785 /nfs/dbraw/zinc/45/87/85/1021458785.db2.gz PYTWRRRNTGEDPJ-UHFFFAOYSA-N 1 1 337.419 4.195 20 10 EICDMO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000310807626 1022391953 /nfs/dbraw/zinc/39/19/53/1022391953.db2.gz HZTJGHJQKNHAIZ-WSTZPKSXSA-N 1 1 338.495 4.262 20 10 EICDMO CC(C)N1CCC([NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000180404594 1022639358 /nfs/dbraw/zinc/63/93/58/1022639358.db2.gz CADYKVJXSSORSQ-QGZVFWFLSA-N 1 1 347.522 4.339 20 10 EICDMO Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)c(O)c1 ZINC000311001916 1022811280 /nfs/dbraw/zinc/81/12/80/1022811280.db2.gz JTMUDQQFUFLIHG-GCJKJVERSA-N 1 1 338.495 4.263 20 10 EICDMO CCOc1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2O)o1 ZINC000891393476 1023199529 /nfs/dbraw/zinc/19/95/29/1023199529.db2.gz GSOSLJMKVKIFST-UHFFFAOYSA-N 1 1 327.380 4.179 20 10 EICDMO CCOc1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)o1 ZINC000891393476 1023199534 /nfs/dbraw/zinc/19/95/34/1023199534.db2.gz GSOSLJMKVKIFST-UHFFFAOYSA-N 1 1 327.380 4.179 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H]2c2cccn2C)c1 ZINC000781895556 1023375898 /nfs/dbraw/zinc/37/58/98/1023375898.db2.gz VARVCWWLKUGFSU-MRXNPFEDSA-N 1 1 349.272 4.139 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H]2c2cccn2C)c1 ZINC000781895556 1023375913 /nfs/dbraw/zinc/37/59/13/1023375913.db2.gz VARVCWWLKUGFSU-MRXNPFEDSA-N 1 1 349.272 4.139 20 10 EICDMO C[C@H]([NH2+]Cc1c(O)cccc1Cl)c1nccn1-c1ccccc1 ZINC000377395459 1023508713 /nfs/dbraw/zinc/50/87/13/1023508713.db2.gz CCCCRSJAUJREKY-ZDUSSCGKSA-N 1 1 327.815 4.082 20 10 EICDMO Oc1c(Br)cccc1C[NH2+]Cc1ccsc1Cl ZINC000312760518 1023804051 /nfs/dbraw/zinc/80/40/51/1023804051.db2.gz HLJKINNRUJSXPO-UHFFFAOYSA-N 1 1 332.650 4.159 20 10 EICDMO C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1cc(Cl)c(Cl)cc1O ZINC000278844221 1024058719 /nfs/dbraw/zinc/05/87/19/1024058719.db2.gz VAPMBMMVDUDWOJ-VFZGTOFNSA-N 1 1 344.213 4.222 20 10 EICDMO CC[C@H](N[C@H](c1n[nH]c(C)n1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000162554978 1025153013 /nfs/dbraw/zinc/15/30/13/1025153013.db2.gz UPOOMXAJBVAZPG-PMACEKPBSA-N 1 1 349.482 4.009 20 10 EICDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000277170812 1025212784 /nfs/dbraw/zinc/21/27/84/1025212784.db2.gz HUEYUOLMJMBICV-JKSUJKDBSA-N 1 1 341.503 4.159 20 10 EICDMO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2ccco2)c(O)c1OC ZINC000892053321 1025518056 /nfs/dbraw/zinc/51/80/56/1025518056.db2.gz UPXZBIQPESTILG-OAHLLOKOSA-N 1 1 331.412 4.120 20 10 EICDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000894520410 1026115627 /nfs/dbraw/zinc/11/56/27/1026115627.db2.gz MKNJNJXUSLWUSM-QGZVFWFLSA-N 1 1 345.439 4.001 20 10 EICDMO COc1ccc(N2CCC[N@H+]([C@H](C)c3c(F)cccc3F)CC2)cc1 ZINC000108090628 1026773623 /nfs/dbraw/zinc/77/36/23/1026773623.db2.gz OJMQFHAQASHBSX-OAHLLOKOSA-N 1 1 346.421 4.247 20 10 EICDMO CCOc1ccc(-c2nc(C[N@H+](C)Cc3ccccc3O)co2)cc1 ZINC000121153765 1027685795 /nfs/dbraw/zinc/68/57/95/1027685795.db2.gz ODAREXVREREFMG-UHFFFAOYSA-N 1 1 338.407 4.078 20 10 EICDMO CCOc1ccc(-c2nc(C[N@@H+](C)Cc3ccccc3O)co2)cc1 ZINC000121153765 1027685816 /nfs/dbraw/zinc/68/58/16/1027685816.db2.gz ODAREXVREREFMG-UHFFFAOYSA-N 1 1 338.407 4.078 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccc(Br)cn1 ZINC000281308219 1028498848 /nfs/dbraw/zinc/49/88/48/1028498848.db2.gz YZXVKGXWBWJLRI-VHSXEESVSA-N 1 1 339.208 4.101 20 10 EICDMO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cc(Cl)c(Cl)cc1O ZINC000278240303 1028661117 /nfs/dbraw/zinc/66/11/17/1028661117.db2.gz LFBNPYNHVPPADJ-LKFCYVNXSA-N 1 1 340.254 4.161 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc2cn(C)nc2c1)c1cccc(C(F)(F)F)c1O ZINC000527962456 1031004519 /nfs/dbraw/zinc/00/45/19/1031004519.db2.gz MRSZWXHVIVQQNS-LLVKDONJSA-N 1 1 349.356 4.149 20 10 EICDMO CC[C@@H]([NH2+][C@@H](c1ccc(OC)nc1)C1CC1)c1ccc(F)cc1O ZINC000528043406 1031061168 /nfs/dbraw/zinc/06/11/68/1031061168.db2.gz OMJJQGUVDBAXAA-VQIMIIECSA-N 1 1 330.403 4.127 20 10 EICDMO Oc1ccccc1C[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000179568780 1031219498 /nfs/dbraw/zinc/21/94/98/1031219498.db2.gz HGTWSKVPXOHNKE-KRWDZBQOSA-N 1 1 335.407 4.169 20 10 EICDMO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC001168372450 1037038832 /nfs/dbraw/zinc/03/88/32/1037038832.db2.gz XSZSGPBWXALENR-OAQYLSRUSA-N 1 1 342.527 4.096 20 10 EICDMO CN1CCCc2cc(C[NH2+][C@H](c3ccccc3)c3ccccn3)ccc21 ZINC000171377755 1037361182 /nfs/dbraw/zinc/36/11/82/1037361182.db2.gz IBHGUFVSNVXOGK-HSZRJFAPSA-N 1 1 343.474 4.343 20 10 EICDMO CO[C@H](C)c1nc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)cs1 ZINC000273621521 1037529845 /nfs/dbraw/zinc/52/98/45/1037529845.db2.gz ZEXXIFADJGSZBV-NXEZZACHSA-N 1 1 326.849 4.060 20 10 EICDMO Cc1c2ccccc2n(C)c1C[NH2+][C@H](c1ccccc1)c1ccncn1 ZINC000479436544 1040341621 /nfs/dbraw/zinc/34/16/21/1040341621.db2.gz JRVCXPGXWKGOLF-JOCHJYFZSA-N 1 1 342.446 4.156 20 10 EICDMO C[C@H]1CCC[C@H](C)[NH+]1CCNCc1ccc(N2CCCCC2)cc1 ZINC000730818369 1043630362 /nfs/dbraw/zinc/63/03/62/1043630362.db2.gz QOUMWWVSWCCLLN-OALUTQOASA-N 1 1 329.532 4.029 20 10 EICDMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1c(O)ccc3ccncc31)CCC2 ZINC000732189961 1043879972 /nfs/dbraw/zinc/87/99/72/1043879972.db2.gz WJIMFLHJRCKKHP-QGZVFWFLSA-N 1 1 339.464 4.215 20 10 EICDMO CCOC[C@@H]1CCC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000733787563 1044311664 /nfs/dbraw/zinc/31/16/64/1044311664.db2.gz LPSUGDWXSIJHDK-OAHLLOKOSA-N 1 1 343.467 4.266 20 10 EICDMO c1csc([C@@H]2CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)n1 ZINC000895583684 1044815477 /nfs/dbraw/zinc/81/54/77/1044815477.db2.gz NKQBNRJNPMHMBI-QGZVFWFLSA-N 1 1 327.497 4.123 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2CN2CCCCC2)cc1C(C)C ZINC000738096529 1045032874 /nfs/dbraw/zinc/03/28/74/1045032874.db2.gz MAMHZHFHAFQWCB-LJQANCHMSA-N 1 1 330.516 4.274 20 10 EICDMO Cc1cc(O)c(CN2CCC[C@@H]2C[NH+]2CCCCC2)cc1C(C)C ZINC000738096529 1045032889 /nfs/dbraw/zinc/03/28/89/1045032889.db2.gz MAMHZHFHAFQWCB-LJQANCHMSA-N 1 1 330.516 4.274 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](n3ccnc3)C1)oc1ccccc12 ZINC000738147639 1045039045 /nfs/dbraw/zinc/03/90/45/1045039045.db2.gz FGVGDADWQZLRRG-MRXNPFEDSA-N 1 1 347.418 4.325 20 10 EICDMO Cc1cc(O)c(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1C ZINC000738107831 1045042061 /nfs/dbraw/zinc/04/20/61/1045042061.db2.gz OQKFPQSDIKYFEG-RTBURBONSA-N 1 1 330.516 4.095 20 10 EICDMO Cc1cc(O)c(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1C ZINC000738107831 1045042071 /nfs/dbraw/zinc/04/20/71/1045042071.db2.gz OQKFPQSDIKYFEG-RTBURBONSA-N 1 1 330.516 4.095 20 10 EICDMO Oc1ccc2ccncc2c1C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000738241116 1045052306 /nfs/dbraw/zinc/05/23/06/1045052306.db2.gz QBLOKCGOXBNUSX-FQEVSTJZSA-N 1 1 336.460 4.231 20 10 EICDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2c(O)ccc3ccc(OC)cc32)C1(C)C ZINC000740863691 1045231404 /nfs/dbraw/zinc/23/14/04/1045231404.db2.gz WSNNADLWYMOWKA-PMACEKPBSA-N 1 1 343.467 4.189 20 10 EICDMO COc1ccc(N(CCCn2cc[nH+]c2C)Cc2ccccc2)cc1 ZINC000762926939 1045419095 /nfs/dbraw/zinc/41/90/95/1045419095.db2.gz YAKQSHXQVCMNRL-UHFFFAOYSA-N 1 1 335.451 4.297 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000790954899 1045634431 /nfs/dbraw/zinc/63/44/31/1045634431.db2.gz ANUKSVIELUCTKW-UHFFFAOYSA-N 1 1 336.769 4.137 20 10 EICDMO CO[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790991336 1045647042 /nfs/dbraw/zinc/64/70/42/1045647042.db2.gz VBFRFXMUQJFNPQ-BTDLBPIBSA-N 1 1 341.785 4.190 20 10 EICDMO CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790982079 1045671038 /nfs/dbraw/zinc/67/10/38/1045671038.db2.gz PZWACOKTIDEQDX-DYZYQPBXSA-N 1 1 341.785 4.190 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1nccc2ccccc21)C[C@@H]1CCCO1 ZINC000768161574 1045729015 /nfs/dbraw/zinc/72/90/15/1045729015.db2.gz HEKITJQOXPPKIR-IBGZPJMESA-N 1 1 348.446 4.122 20 10 EICDMO C[C@@H]1C[C@H]1c1ccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000768163604 1045729768 /nfs/dbraw/zinc/72/97/68/1045729768.db2.gz ZVEQHUUYSRIBMJ-SZVBFZGTSA-N 1 1 341.451 4.290 20 10 EICDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(Cl)ccc2O)cc1OC ZINC000768232004 1045759227 /nfs/dbraw/zinc/75/92/27/1045759227.db2.gz XQCXRDAUZIMORT-MRXNPFEDSA-N 1 1 347.842 4.400 20 10 EICDMO COc1cccc(C[N@@H+]2CC=C(c3c(C)[nH]c4ccccc43)CC2)c1O ZINC000768250854 1045763683 /nfs/dbraw/zinc/76/36/83/1045763683.db2.gz XXRIWAJHSZKZJD-UHFFFAOYSA-N 1 1 348.446 4.480 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000768248943 1045764163 /nfs/dbraw/zinc/76/41/63/1045764163.db2.gz LCEQFSOSTKLSQH-SFHVURJKSA-N 1 1 329.465 4.081 20 10 EICDMO C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768263888 1045773849 /nfs/dbraw/zinc/77/38/49/1045773849.db2.gz YGCTYLMOJDYMPC-OAHLLOKOSA-N 1 1 343.427 4.371 20 10 EICDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2cc(Cl)ccc2O)C2CC2)cc1 ZINC000768338014 1045792419 /nfs/dbraw/zinc/79/24/19/1045792419.db2.gz YDCYZVUPNAHFPF-UHFFFAOYSA-N 1 1 332.787 4.118 20 10 EICDMO CC[C@H](C)[N@@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1O ZINC000768438660 1045807156 /nfs/dbraw/zinc/80/71/56/1045807156.db2.gz DIXRVBVSTNTDSL-HNNXBMFYSA-N 1 1 329.440 4.210 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2c2ccccc2Cl)cc1OC ZINC000768441681 1045807348 /nfs/dbraw/zinc/80/73/48/1045807348.db2.gz FOMAARVWYNLMAF-INIZCTEOSA-N 1 1 347.842 4.400 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000768440892 1045807439 /nfs/dbraw/zinc/80/74/39/1045807439.db2.gz HMDOAKXQJABUKJ-INIZCTEOSA-N 1 1 347.842 4.400 20 10 EICDMO COc1cccc(C[N@@H+](Cc2cccc(F)c2)C2CCCC2)c1O ZINC000768678110 1045826607 /nfs/dbraw/zinc/82/66/07/1045826607.db2.gz OMLSSCMZCXDAAO-UHFFFAOYSA-N 1 1 329.415 4.485 20 10 EICDMO CCOc1cccc(C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)c1O ZINC000768910553 1045858701 /nfs/dbraw/zinc/85/87/01/1045858701.db2.gz FWFLECMNCOXUGI-UHFFFAOYSA-N 1 1 339.357 4.442 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cc1C ZINC000768918025 1045860121 /nfs/dbraw/zinc/86/01/21/1045860121.db2.gz FMXOYLRLZFYQKG-LJQANCHMSA-N 1 1 335.451 4.233 20 10 EICDMO c1ccc2c(c1)CC[C@H]2[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000768937625 1045862461 /nfs/dbraw/zinc/86/24/61/1045862461.db2.gz VNKGABSGMQMCCP-HSZRJFAPSA-N 1 1 348.490 4.175 20 10 EICDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(N(C)C(C)C)nc1 ZINC000792156420 1045867937 /nfs/dbraw/zinc/86/79/37/1045867937.db2.gz DFINZIGCOYXQAT-UHFFFAOYSA-N 1 1 340.515 4.014 20 10 EICDMO COC1(C[N@@H+](Cc2ccco2)Cc2ccccc2O)CCCCC1 ZINC000792162495 1045869925 /nfs/dbraw/zinc/86/99/25/1045869925.db2.gz RTHPBNIKANPLML-UHFFFAOYSA-N 1 1 329.440 4.337 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000792168821 1045871959 /nfs/dbraw/zinc/87/19/59/1045871959.db2.gz GDEGDUKGBMAZJX-UHFFFAOYSA-N 1 1 347.817 4.206 20 10 EICDMO COc1cc(C[N@@H+](Cc2cc(Cl)cc(C)c2O)C2CC2)ccc1O ZINC000792175007 1045875186 /nfs/dbraw/zinc/87/51/86/1045875186.db2.gz OTEQGDLYLDNBOV-UHFFFAOYSA-N 1 1 347.842 4.233 20 10 EICDMO Oc1ccc([C@@H]2CCC[N@H+]2Cc2cc(Br)ccc2O)cc1 ZINC000769105152 1045881251 /nfs/dbraw/zinc/88/12/51/1045881251.db2.gz NBDWYTGKIFYZKE-INIZCTEOSA-N 1 1 348.240 4.197 20 10 EICDMO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1cc(Cl)c(Cl)cc1O ZINC000249037075 1045890953 /nfs/dbraw/zinc/89/09/53/1045890953.db2.gz SYGWXXIJHGJHPD-SZQIBGDISA-N 1 1 338.234 4.008 20 10 EICDMO Oc1ccc(Cl)cc1C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000769399970 1045947895 /nfs/dbraw/zinc/94/78/95/1045947895.db2.gz ZCUYBCPZLVLYRK-UHFFFAOYSA-N 1 1 345.870 4.474 20 10 EICDMO CN(C)c1ccc(C[N@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000769397431 1045967592 /nfs/dbraw/zinc/96/75/92/1045967592.db2.gz DGMGMMIBHXCFCT-UHFFFAOYSA-N 1 1 338.495 4.181 20 10 EICDMO COc1cccc(O)c1C[N@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000769462874 1045982392 /nfs/dbraw/zinc/98/23/92/1045982392.db2.gz LHHVMUFHBALTSW-IFXJQAMLSA-N 1 1 329.465 4.079 20 10 EICDMO COc1cccc(C[N@H+]2CCS[C@H](C)[C@H]2c2ccccc2)c1O ZINC000769463703 1045983074 /nfs/dbraw/zinc/98/30/74/1045983074.db2.gz SXWSRBLDQSTJDY-KDOFPFPSSA-N 1 1 329.465 4.079 20 10 EICDMO C[C@@H](Cc1ccccc1Cl)[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001170288903 1045989864 /nfs/dbraw/zinc/98/98/64/1045989864.db2.gz ZAZIMZIZANAHLZ-ZDUSSCGKSA-N 1 1 331.843 4.131 20 10 EICDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793086580 1046136720 /nfs/dbraw/zinc/13/67/20/1046136720.db2.gz UFFBZZOBJVCMRR-CQSZACIVSA-N 1 1 344.421 4.020 20 10 EICDMO CCn1nc(C[N@@H+](CC)Cc2ccc(N(C)C)cc2)c2ccccc21 ZINC000770612906 1046238733 /nfs/dbraw/zinc/23/87/33/1046238733.db2.gz SNLNMLNLJYYWMT-UHFFFAOYSA-N 1 1 336.483 4.144 20 10 EICDMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)c(O)c1 ZINC000771933513 1046526649 /nfs/dbraw/zinc/52/66/49/1046526649.db2.gz KRRONWHJHAUWKA-LJQANCHMSA-N 1 1 327.424 4.137 20 10 EICDMO CCOc1cccc(C[N@@H+](C)[C@@H](COC)c2ccc(Cl)cc2)c1O ZINC000787332748 1046982027 /nfs/dbraw/zinc/98/20/27/1046982027.db2.gz ODODYRIJWMNOGJ-KRWDZBQOSA-N 1 1 349.858 4.264 20 10 EICDMO CCOc1ccc(O)c(C[N@@H+](C)[C@H](COC)c2ccc(Cl)cc2)c1 ZINC000787333632 1046981737 /nfs/dbraw/zinc/98/17/37/1046981737.db2.gz WYKCKRDJXYRNRS-GOSISDBHSA-N 1 1 349.858 4.264 20 10 EICDMO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000746709676 1047062859 /nfs/dbraw/zinc/06/28/59/1047062859.db2.gz AXFHFHYJSDQZJS-ROUUACIJSA-N 1 1 339.435 4.279 20 10 EICDMO CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000806133003 1047125725 /nfs/dbraw/zinc/12/57/25/1047125725.db2.gz FDWOAKMTYPMYTK-MLGOLLRUSA-N 1 1 345.314 4.472 20 10 EICDMO C[C@H]([NH2+]CCc1ccccc1OC(F)F)c1ccc(F)cc1O ZINC000788258041 1047142114 /nfs/dbraw/zinc/14/21/14/1047142114.db2.gz FCQJDNHCHIUNEO-NSHDSACASA-N 1 1 325.330 4.026 20 10 EICDMO C[C@H](O)c1ccc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)cc1 ZINC000788561651 1047224529 /nfs/dbraw/zinc/22/45/29/1047224529.db2.gz GSIUJLJJZOIPRH-RYUDHWBXSA-N 1 1 339.357 4.315 20 10 EICDMO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788602261 1047243190 /nfs/dbraw/zinc/24/31/90/1047243190.db2.gz APHVJBYYQOBMFG-IUCAKERBSA-N 1 1 328.334 4.428 20 10 EICDMO C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cccc(C(F)(F)F)c1O ZINC000788604029 1047245417 /nfs/dbraw/zinc/24/54/17/1047245417.db2.gz SMBAKPWVWKCFOQ-MEBBXXQBSA-N 1 1 345.386 4.031 20 10 EICDMO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CCO1 ZINC000788646926 1047247100 /nfs/dbraw/zinc/24/71/00/1047247100.db2.gz FHKCVJOAAUMCJA-ZOWXZIJZSA-N 1 1 331.378 4.265 20 10 EICDMO C[C@@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1cccc(C(F)(F)F)c1O ZINC000788741790 1047301467 /nfs/dbraw/zinc/30/14/67/1047301467.db2.gz VDZDXYBRKUOZGH-UPJWGTAASA-N 1 1 331.378 4.267 20 10 EICDMO C[C@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1cccc(C(F)(F)F)c1O ZINC000788776495 1047312909 /nfs/dbraw/zinc/31/29/09/1047312909.db2.gz OVSFBXMURSHKKA-GXTWGEPZSA-N 1 1 342.405 4.079 20 10 EICDMO Oc1cc(F)c(F)cc1C[NH+]1CCC2(CCc3ccccc32)CC1 ZINC001142512657 1047453205 /nfs/dbraw/zinc/45/32/05/1047453205.db2.gz HLRBLEGCHXRREJ-UHFFFAOYSA-N 1 1 329.390 4.150 20 10 EICDMO CC(C)[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccc(N(C)C)cc1 ZINC000789719629 1047467037 /nfs/dbraw/zinc/46/70/37/1047467037.db2.gz DEIMQGUJQLZELF-UHFFFAOYSA-N 1 1 338.455 4.146 20 10 EICDMO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1cnn(CC2CCC2)c1 ZINC000898181710 1047576730 /nfs/dbraw/zinc/57/67/30/1047576730.db2.gz MKQVLYBJCWYUQG-NSHDSACASA-N 1 1 337.826 4.032 20 10 EICDMO COc1cc(C)cc(C[N@@H+]2CCCn3c(cc4ccccc43)C2)c1O ZINC000808222922 1047629051 /nfs/dbraw/zinc/62/90/51/1047629051.db2.gz PXGTYKGNNQXHJQ-UHFFFAOYSA-N 1 1 336.435 4.070 20 10 EICDMO COc1cc(C)cc(C[N@H+]2CCCn3c(cc4ccccc43)C2)c1O ZINC000808222922 1047629057 /nfs/dbraw/zinc/62/90/57/1047629057.db2.gz PXGTYKGNNQXHJQ-UHFFFAOYSA-N 1 1 336.435 4.070 20 10 EICDMO COc1ccc(N2CCC[N@H+]([C@@H](C)c3ccc(F)c(F)c3)CC2)cc1 ZINC000918739086 1047629084 /nfs/dbraw/zinc/62/90/84/1047629084.db2.gz VHDZLOQCQBAUAL-HNNXBMFYSA-N 1 1 346.421 4.247 20 10 EICDMO COc1ccc(N2CCC[N@H+]([C@@H](C)c3ccc(F)cc3F)CC2)cc1 ZINC000918738817 1047630637 /nfs/dbraw/zinc/63/06/37/1047630637.db2.gz PBLZUCFZNTZHDM-HNNXBMFYSA-N 1 1 346.421 4.247 20 10 EICDMO COCc1csc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000824474419 1047872585 /nfs/dbraw/zinc/87/25/85/1047872585.db2.gz OLHQYHKCEKTQCO-UHFFFAOYSA-N 1 1 343.448 4.396 20 10 EICDMO Cn1ccnc1[C@H]1[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC1(C)C ZINC000824620348 1047896300 /nfs/dbraw/zinc/89/63/00/1047896300.db2.gz LFPCLMVPWKPWIN-HXUWFJFHSA-N 1 1 347.462 4.376 20 10 EICDMO Cn1ccnc1[C@H]1[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC1(C)C ZINC000824620348 1047896302 /nfs/dbraw/zinc/89/63/02/1047896302.db2.gz LFPCLMVPWKPWIN-HXUWFJFHSA-N 1 1 347.462 4.376 20 10 EICDMO Fc1cc(C(F)(F)F)c(F)cc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000808429047 1047938129 /nfs/dbraw/zinc/93/81/29/1047938129.db2.gz ZAWUQGWGUOARLF-UHFFFAOYSA-N 1 1 343.295 4.208 20 10 EICDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(Br)cc2O)n1 ZINC000824820017 1047962324 /nfs/dbraw/zinc/96/23/24/1047962324.db2.gz XKNQKKNAIKBWHY-INIZCTEOSA-N 1 1 347.256 4.195 20 10 EICDMO Oc1ccc2ccccc2c1C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000824892729 1047993314 /nfs/dbraw/zinc/99/33/14/1047993314.db2.gz AKYXQJCDKBRYMY-UXHICEINSA-N 1 1 337.463 4.327 20 10 EICDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000825090938 1048033954 /nfs/dbraw/zinc/03/39/54/1048033954.db2.gz OCNBPPUCASDZDF-IBGZPJMESA-N 1 1 325.452 4.042 20 10 EICDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2COc3cc(F)cc(F)c32)c1O ZINC000808715501 1048062138 /nfs/dbraw/zinc/06/21/38/1048062138.db2.gz USYGNDZKOGTCGU-XPTSAGLGSA-N 1 1 339.769 4.417 20 10 EICDMO Oc1ccccc1C[N@H+](CC[C@H](O)c1ccccc1)C1CCCC1 ZINC000808727202 1048075945 /nfs/dbraw/zinc/07/59/45/1048075945.db2.gz DQFSEWBHGASBEE-NRFANRHFSA-N 1 1 325.452 4.261 20 10 EICDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000808761936 1048090403 /nfs/dbraw/zinc/09/04/03/1048090403.db2.gz VACROGMVCFKRBN-LJQANCHMSA-N 1 1 345.414 4.326 20 10 EICDMO c1ccc(CN2CCc3cc(C[N@H+]4CCC45CCOCC5)ccc32)cc1 ZINC000809654547 1048453441 /nfs/dbraw/zinc/45/34/41/1048453441.db2.gz GVEPMYLHQULYQN-UHFFFAOYSA-N 1 1 348.490 4.004 20 10 EICDMO COc1cccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2c2ccccc2OC)c1O ZINC000809694675 1048459908 /nfs/dbraw/zinc/45/99/08/1048459908.db2.gz SYNLHHUHYLDHLB-MAUKXSAKSA-N 1 1 341.451 4.383 20 10 EICDMO Oc1cccc(Cl)c1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000809700115 1048465590 /nfs/dbraw/zinc/46/55/90/1048465590.db2.gz XVHORLSDDCIBNJ-AYBZRNKSSA-N 1 1 343.854 4.050 20 10 EICDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@H]2c2ccncc2)c1O ZINC000809729351 1048476165 /nfs/dbraw/zinc/47/61/65/1048476165.db2.gz SQVPLBOOGARRQA-INIZCTEOSA-N 1 1 347.256 4.195 20 10 EICDMO CC[C@H](CSC)[N@H+](C)Cc1cc(C)cc(Br)c1O ZINC000809767637 1048499355 /nfs/dbraw/zinc/49/93/55/1048499355.db2.gz PVDQBACFUBITNL-GFCCVEGCSA-N 1 1 332.307 4.037 20 10 EICDMO CC[C@H](CSC)[N@@H+](C)Cc1cc(C)cc(Br)c1O ZINC000809767637 1048499363 /nfs/dbraw/zinc/49/93/63/1048499363.db2.gz PVDQBACFUBITNL-GFCCVEGCSA-N 1 1 332.307 4.037 20 10 EICDMO CCc1cnc(CC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)s1 ZINC000815584415 1048522623 /nfs/dbraw/zinc/52/26/23/1048522623.db2.gz CNDIKCUTLXVTIU-SNVBAGLBSA-N 1 1 344.402 4.323 20 10 EICDMO C[C@H]([NH2+]CCOCc1ccccc1)c1cccc(C(F)(F)F)c1O ZINC000815585741 1048523908 /nfs/dbraw/zinc/52/39/08/1048523908.db2.gz QUBMGOXRIASQBB-ZDUSSCGKSA-N 1 1 339.357 4.278 20 10 EICDMO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cccc(C(F)(F)F)c1O ZINC000815589291 1048524676 /nfs/dbraw/zinc/52/46/76/1048524676.db2.gz ODSXCBUDGWNSQJ-QMGNLALYSA-N 1 1 329.362 4.019 20 10 EICDMO CC[N@H+](Cc1cccc(Br)c1O)[C@H](C)c1cccnc1 ZINC000809764737 1048524877 /nfs/dbraw/zinc/52/48/77/1048524877.db2.gz HLWLVTOQANOJMO-GFCCVEGCSA-N 1 1 335.245 4.133 20 10 EICDMO CC[N@@H+](Cc1cccc(Br)c1O)[C@H](C)c1cccnc1 ZINC000809764737 1048524887 /nfs/dbraw/zinc/52/48/87/1048524887.db2.gz HLWLVTOQANOJMO-GFCCVEGCSA-N 1 1 335.245 4.133 20 10 EICDMO Cc1cc(Br)cc(C[N@@H+](Cc2cccnc2)C2CC2)c1O ZINC000809763546 1048525799 /nfs/dbraw/zinc/52/57/99/1048525799.db2.gz OUAAKBBQQMZBFX-UHFFFAOYSA-N 1 1 347.256 4.023 20 10 EICDMO Cc1cc(C[C@@H](C)[NH2+][C@H](CCc2ccccc2)c2ccccc2O)n[nH]1 ZINC000815596898 1048530608 /nfs/dbraw/zinc/53/06/08/1048530608.db2.gz HFKFPRRWAVUPTG-IIBYNOLFSA-N 1 1 349.478 4.318 20 10 EICDMO Cc1cc(C[C@H](C)[NH2+][C@H](CCc2ccccc2)c2ccccc2O)n[nH]1 ZINC000815596896 1048531006 /nfs/dbraw/zinc/53/10/06/1048531006.db2.gz HFKFPRRWAVUPTG-HRAATJIYSA-N 1 1 349.478 4.318 20 10 EICDMO CCOc1ccc(C[N@@H+](C)[C@@H](CC)c2cccc(OC)c2)c(O)c1 ZINC000809784291 1048533068 /nfs/dbraw/zinc/53/30/68/1048533068.db2.gz SRQQYDFOCDQITO-IBGZPJMESA-N 1 1 329.440 4.383 20 10 EICDMO CCC[C@@]1(CO)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000809790982 1048536795 /nfs/dbraw/zinc/53/67/95/1048536795.db2.gz RGYMAPFCOGJFMV-OAQYLSRUSA-N 1 1 325.452 4.044 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1cccc(C(F)(F)F)c1O ZINC000815628006 1048550158 /nfs/dbraw/zinc/55/01/58/1048550158.db2.gz OYKQJHCPVHDWSA-LLVKDONJSA-N 1 1 349.356 4.149 20 10 EICDMO CSc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(F)cc2O)N(C)C)cc1 ZINC000815659465 1048562103 /nfs/dbraw/zinc/56/21/03/1048562103.db2.gz CFYMENPBALFVQC-UGSOOPFHSA-N 1 1 348.487 4.207 20 10 EICDMO CCOC1(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CCCC1 ZINC000815644552 1048567726 /nfs/dbraw/zinc/56/77/26/1048567726.db2.gz FSFOAJVDNCDBCW-LBPRGKRZSA-N 1 1 331.378 4.411 20 10 EICDMO C[N@H+](Cc1cccc(F)c1)Cc1cc(Br)c(F)cc1O ZINC001144298533 1048574161 /nfs/dbraw/zinc/57/41/61/1048574161.db2.gz FTIWPOZSNKVZIP-UHFFFAOYSA-N 1 1 342.183 4.065 20 10 EICDMO C[N@@H+](Cc1cccc(F)c1)Cc1cc(Br)c(F)cc1O ZINC001144298533 1048574179 /nfs/dbraw/zinc/57/41/79/1048574179.db2.gz FTIWPOZSNKVZIP-UHFFFAOYSA-N 1 1 342.183 4.065 20 10 EICDMO Oc1cc(F)c(Br)cc1C[N@@H+]1CCC2(CCCC2)C1 ZINC001144299672 1048575273 /nfs/dbraw/zinc/57/52/73/1048575273.db2.gz FWNNBTLKTLDYCB-UHFFFAOYSA-N 1 1 328.225 4.060 20 10 EICDMO Oc1cc(F)c(Br)cc1C[N@H+]1CCC2(CCCC2)C1 ZINC001144299672 1048575286 /nfs/dbraw/zinc/57/52/86/1048575286.db2.gz FWNNBTLKTLDYCB-UHFFFAOYSA-N 1 1 328.225 4.060 20 10 EICDMO CC[N@@H+](Cc1conc1Cc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000816480159 1048810499 /nfs/dbraw/zinc/81/04/99/1048810499.db2.gz FECQJWMQOBQNOC-UHFFFAOYSA-N 1 1 349.478 4.354 20 10 EICDMO COc1cccc([C@H]2C[N@@H+](Cc3ccc4ccccc4c3O)CCO2)c1 ZINC000816503449 1048821168 /nfs/dbraw/zinc/82/11/68/1048821168.db2.gz XWIJPOKHTGCIDT-OAQYLSRUSA-N 1 1 349.430 4.128 20 10 EICDMO COc1ccccc1[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816514822 1048822406 /nfs/dbraw/zinc/82/24/06/1048822406.db2.gz IFQZPNOCUXHVFL-LBPRGKRZSA-N 1 1 335.806 4.183 20 10 EICDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816514822 1048822411 /nfs/dbraw/zinc/82/24/11/1048822411.db2.gz IFQZPNOCUXHVFL-LBPRGKRZSA-N 1 1 335.806 4.183 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000816531333 1048823929 /nfs/dbraw/zinc/82/39/29/1048823929.db2.gz OCNIYHKCWSFHAV-UHFFFAOYSA-N 1 1 349.711 4.373 20 10 EICDMO COc1cccc([C@H](C)Nc2ccc([NH+]3CCCC3)cc2C)c1O ZINC000846157230 1048824360 /nfs/dbraw/zinc/82/43/60/1048824360.db2.gz BPWQOMVDQFMDST-HNNXBMFYSA-N 1 1 326.440 4.483 20 10 EICDMO CC(C)(C)c1csc(CC[NH2+]Cc2cc(Cl)c(F)cc2O)n1 ZINC000816547897 1048828674 /nfs/dbraw/zinc/82/86/74/1048828674.db2.gz NHPGTZVSYUGPPP-UHFFFAOYSA-N 1 1 342.867 4.271 20 10 EICDMO CCc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816548862 1048828952 /nfs/dbraw/zinc/82/89/52/1048828952.db2.gz VMRXKHJQDAYELS-INIZCTEOSA-N 1 1 335.806 4.361 20 10 EICDMO Cc1cnc([C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C2CC2)s1 ZINC000816554397 1048833551 /nfs/dbraw/zinc/83/35/51/1048833551.db2.gz XREOFUBPBDENSN-AWEZNQCLSA-N 1 1 326.824 4.191 20 10 EICDMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccc(-n2cccn2)cc1 ZINC000816554131 1048833897 /nfs/dbraw/zinc/83/38/97/1048833897.db2.gz PKTNCPYXGIMLAM-GFCCVEGCSA-N 1 1 345.805 4.221 20 10 EICDMO COc1cc(O)c(C[N@H+]2CC3(CCC3)[C@@H]2c2ccccc2)cc1OC ZINC000816630831 1048838243 /nfs/dbraw/zinc/83/82/43/1048838243.db2.gz SYJIQFVVWPXIMW-FQEVSTJZSA-N 1 1 339.435 4.137 20 10 EICDMO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2ccccc2c1O ZINC000816600982 1048842398 /nfs/dbraw/zinc/84/23/98/1048842398.db2.gz NDXBQUMGVRLHDF-YQQQUEKLSA-N 1 1 347.462 4.190 20 10 EICDMO Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817938601 1049061399 /nfs/dbraw/zinc/06/13/99/1049061399.db2.gz ODJKGUVOGQHGJF-KXBFYZLASA-N 1 1 337.467 4.158 20 10 EICDMO CSc1ccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000811454143 1049068796 /nfs/dbraw/zinc/06/87/96/1049068796.db2.gz WLTNSZHIIPICTK-OAHLLOKOSA-N 1 1 349.521 4.357 20 10 EICDMO CSc1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000811454142 1049069959 /nfs/dbraw/zinc/06/99/59/1049069959.db2.gz WLTNSZHIIPICTK-HNNXBMFYSA-N 1 1 349.521 4.357 20 10 EICDMO COc1ccc(N2CCC[N@@H+](Cc3ccc(SC)s3)CC2)cc1 ZINC000811458286 1049072054 /nfs/dbraw/zinc/07/20/54/1049072054.db2.gz SNBLDINIJNGLBZ-UHFFFAOYSA-N 1 1 348.537 4.191 20 10 EICDMO C[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(F)cc1O ZINC000817975047 1049075640 /nfs/dbraw/zinc/07/56/40/1049075640.db2.gz HZUVISYJQACGEU-ZBEGNZNMSA-N 1 1 330.403 4.067 20 10 EICDMO Cc1cc(O)c(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)cc1C ZINC000818288192 1049125360 /nfs/dbraw/zinc/12/53/60/1049125360.db2.gz ZIVATGLBFGTUDX-QGZVFWFLSA-N 1 1 331.481 4.252 20 10 EICDMO COc1cc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c(O)c(C(C)(C)C)c1 ZINC000811781164 1049264547 /nfs/dbraw/zinc/26/45/47/1049264547.db2.gz ZFQIASWOEGPDNC-MJGOQNOKSA-N 1 1 347.499 4.088 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CC3(CCC3)[C@@H]1C1CCOCC1)CCCC2 ZINC000819903395 1049387269 /nfs/dbraw/zinc/38/72/69/1049387269.db2.gz WTPQIWNGKYDIHP-NRFANRHFSA-N 1 1 341.495 4.052 20 10 EICDMO CC(C)[N@@H+](Cc1c2c(ccc1O)oc1c2CCCC1)[C@@H]1CCOC1 ZINC000812290692 1049415445 /nfs/dbraw/zinc/41/54/45/1049415445.db2.gz FWQXLYXJISHHKE-CQSZACIVSA-N 1 1 329.440 4.017 20 10 EICDMO CC(C)[N@@H+](Cc1c2c(ccc1O)oc1c2CCCC1)[C@H]1CCOC1 ZINC000812290691 1049415854 /nfs/dbraw/zinc/41/58/54/1049415854.db2.gz FWQXLYXJISHHKE-AWEZNQCLSA-N 1 1 329.440 4.017 20 10 EICDMO Cc1[nH+]cn(-c2ccc(NCc3ccc(N(C)C)c(F)c3)cc2)c1C ZINC000812784422 1049576972 /nfs/dbraw/zinc/57/69/72/1049576972.db2.gz NJTLBDNHRMCZGA-UHFFFAOYSA-N 1 1 338.430 4.306 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCc2c(F)cccc2C1 ZINC001171431890 1049670262 /nfs/dbraw/zinc/67/02/62/1049670262.db2.gz AQRFUZGRDKWMGC-FQEVSTJZSA-N 1 1 338.470 4.415 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)cc1C ZINC000773253712 1049673013 /nfs/dbraw/zinc/67/30/13/1049673013.db2.gz XDRSRTAFARDKJM-UHFFFAOYSA-N 1 1 328.843 4.347 20 10 EICDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cccc(C)c2O)cc1OC ZINC000179660367 1049712533 /nfs/dbraw/zinc/71/25/33/1049712533.db2.gz CBUNDKMGMGIFHX-QGZVFWFLSA-N 1 1 327.424 4.055 20 10 EICDMO C[N@H+](Cc1ccccc1O)[C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171988777 1049831608 /nfs/dbraw/zinc/83/16/08/1049831608.db2.gz UXWLQTVQOSTAPD-FQEVSTJZSA-N 1 1 338.495 4.267 20 10 EICDMO C[N@@H+](Cc1ccccc1O)[C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171988777 1049831612 /nfs/dbraw/zinc/83/16/12/1049831612.db2.gz UXWLQTVQOSTAPD-FQEVSTJZSA-N 1 1 338.495 4.267 20 10 EICDMO CC[N@H+](Cc1ccc(N(C)Cc2cccs2)cc1)C[C@H]1CCOC1 ZINC000823404867 1049845319 /nfs/dbraw/zinc/84/53/19/1049845319.db2.gz XEIKBOWKXMDYFV-GOSISDBHSA-N 1 1 344.524 4.243 20 10 EICDMO CCOC[C@@H]1CC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000823477184 1049850762 /nfs/dbraw/zinc/85/07/62/1049850762.db2.gz MCULLQCBCTWUDM-GOSISDBHSA-N 1 1 344.524 4.243 20 10 EICDMO Cc1cccc(C[N@H+](Cc2ccccc2)CC2CCOCC2)c1O ZINC000180203723 1049862355 /nfs/dbraw/zinc/86/23/55/1049862355.db2.gz FUMLRUUDORZTMC-UHFFFAOYSA-N 1 1 325.452 4.129 20 10 EICDMO Cc1cccc(C[NH+](Cc2cccc(C)n2)Cc2cccc(C)c2O)n1 ZINC000180698139 1049930878 /nfs/dbraw/zinc/93/08/78/1049930878.db2.gz URRKHWYCJSTQBG-UHFFFAOYSA-N 1 1 347.462 4.310 20 10 EICDMO c1cc(N2CCCC2)ccc1CNC1CC[NH+](CC2CCCC2)CC1 ZINC001178412206 1050466452 /nfs/dbraw/zinc/46/64/52/1050466452.db2.gz GZAPZSJOQYNNDH-UHFFFAOYSA-N 1 1 341.543 4.031 20 10 EICDMO C[NH+](C)C[C@H](NCc1ccc2c(c1)CCCO2)c1ccc(Cl)cc1 ZINC001178566308 1050509006 /nfs/dbraw/zinc/50/90/06/1050509006.db2.gz XGTLNXKBSLLCEP-IBGZPJMESA-N 1 1 344.886 4.058 20 10 EICDMO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1 ZINC000773765489 1050535194 /nfs/dbraw/zinc/53/51/94/1050535194.db2.gz LOSXWIHBHVJKCX-BEFAXECRSA-N 1 1 330.497 4.166 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1 ZINC000773765489 1050535210 /nfs/dbraw/zinc/53/52/10/1050535210.db2.gz LOSXWIHBHVJKCX-BEFAXECRSA-N 1 1 330.497 4.166 20 10 EICDMO COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2c(O)ccc(Cl)c2F)c1 ZINC001178932294 1050583666 /nfs/dbraw/zinc/58/36/66/1050583666.db2.gz YMIBKMRDPNYWJD-SNVBAGLBSA-N 1 1 341.785 4.053 20 10 EICDMO Nc1ccc(-c2ccc(Nc3cc[nH+]c4ccccc34)c(O)c2)cc1O ZINC001174039703 1050717360 /nfs/dbraw/zinc/71/73/60/1050717360.db2.gz YFCURUYKBWLIPY-UHFFFAOYSA-N 1 1 343.386 4.061 20 10 EICDMO COCC[N@@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)C1CCCC1 ZINC001179858587 1050807447 /nfs/dbraw/zinc/80/74/47/1050807447.db2.gz HFZOXOWZPNYGKD-UHFFFAOYSA-N 1 1 335.488 4.089 20 10 EICDMO Cc1cc(N(C)C)ccc1C[N@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC001179931573 1050821517 /nfs/dbraw/zinc/82/15/17/1050821517.db2.gz OMVHOPRLNNOJAI-QFIPXVFZSA-N 1 1 340.511 4.080 20 10 EICDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)c(F)cc2[O-])C1(CC)CC ZINC001179950747 1050828917 /nfs/dbraw/zinc/82/89/17/1050828917.db2.gz HFFWAKJYCLSIGH-SJORKVTESA-N 1 1 327.415 4.086 20 10 EICDMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2O)C1(CC)CC ZINC001179950747 1050828919 /nfs/dbraw/zinc/82/89/19/1050828919.db2.gz HFFWAKJYCLSIGH-SJORKVTESA-N 1 1 327.415 4.086 20 10 EICDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)c(F)cc2O)C1(CC)CC ZINC001179950747 1050828923 /nfs/dbraw/zinc/82/89/23/1050828923.db2.gz HFFWAKJYCLSIGH-SJORKVTESA-N 1 1 327.415 4.086 20 10 EICDMO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(Cl)c(C)cc1O ZINC001180051541 1050865608 /nfs/dbraw/zinc/86/56/08/1050865608.db2.gz HTZGYCQXSXFYLV-KRWDZBQOSA-N 1 1 333.859 4.127 20 10 EICDMO C[C@@H](Cc1cccs1)[N@@H+](C)Cc1ccc(Br)cc1O ZINC001180064895 1050872183 /nfs/dbraw/zinc/87/21/83/1050872183.db2.gz ZFUNCIPRVYINDZ-NSHDSACASA-N 1 1 340.286 4.279 20 10 EICDMO COc1cc(C)c(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)c(C)n1 ZINC001180072290 1050873600 /nfs/dbraw/zinc/87/36/00/1050873600.db2.gz QADLXXVXHOZBJG-UHFFFAOYSA-N 1 1 341.499 4.184 20 10 EICDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1c(C)cc(OC)cc1O)CCC2 ZINC001180076323 1050874741 /nfs/dbraw/zinc/87/47/41/1050874741.db2.gz FDTCATKNBKSLED-INIZCTEOSA-N 1 1 346.496 4.238 20 10 EICDMO CCN(CC)CC[N@H+](Cc1cc(Cl)c(C)cc1O)CC(C)C ZINC001180178369 1050895267 /nfs/dbraw/zinc/89/52/67/1050895267.db2.gz VVPXRBHPSWNULS-UHFFFAOYSA-N 1 1 326.912 4.154 20 10 EICDMO CC[NH+](CC)CCN(Cc1cc(Cl)c(C)cc1O)CC(C)C ZINC001180178369 1050895269 /nfs/dbraw/zinc/89/52/69/1050895269.db2.gz VVPXRBHPSWNULS-UHFFFAOYSA-N 1 1 326.912 4.154 20 10 EICDMO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001180189183 1050908502 /nfs/dbraw/zinc/90/85/02/1050908502.db2.gz OCXZNZZDMNBAPX-KRWDZBQOSA-N 1 1 333.378 4.406 20 10 EICDMO COc1ccccc1[C@@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001180189183 1050908510 /nfs/dbraw/zinc/90/85/10/1050908510.db2.gz OCXZNZZDMNBAPX-KRWDZBQOSA-N 1 1 333.378 4.406 20 10 EICDMO CCN(C)c1ccc(C[NH2+][C@H](COCC(C)C)c2ccco2)cc1 ZINC000773842429 1050917244 /nfs/dbraw/zinc/91/72/44/1050917244.db2.gz ZIWGOJWWVXBOEO-LJQANCHMSA-N 1 1 330.472 4.239 20 10 EICDMO COc1cc(C)cc(C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)c1O ZINC001180244531 1050934112 /nfs/dbraw/zinc/93/41/12/1050934112.db2.gz FMQGZCVWPDWLHY-NRFANRHFSA-N 1 1 348.446 4.116 20 10 EICDMO C[N@H+](Cc1cc(Br)cc(F)c1[O-])C[C@H]1CC=CCC1 ZINC001180310323 1050946476 /nfs/dbraw/zinc/94/64/76/1050946476.db2.gz DDOZCUPLNLFLGO-NSHDSACASA-N 1 1 328.225 4.082 20 10 EICDMO Oc1c(C[N@H+]2CCCN(Cc3ccccc3)CC2)ccc2ccccc21 ZINC001180297152 1050959409 /nfs/dbraw/zinc/95/94/09/1050959409.db2.gz QXJOFMWZGPYRJO-UHFFFAOYSA-N 1 1 346.474 4.253 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H]2c2ccc(COC)o2)cc1 ZINC000773862420 1051022576 /nfs/dbraw/zinc/02/25/76/1051022576.db2.gz YQBYOSFTXWDKJQ-IBGZPJMESA-N 1 1 328.456 4.219 20 10 EICDMO C[C@@H]1Cc2cc(C[N@@H+](Cc3ccc(N(C)C)cc3)C3CC3)ccc2O1 ZINC001180557720 1051032766 /nfs/dbraw/zinc/03/27/66/1051032766.db2.gz GBHPNOLNXAPISE-MRXNPFEDSA-N 1 1 336.479 4.241 20 10 EICDMO CC1=C(C)C[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001181284446 1051196419 /nfs/dbraw/zinc/19/64/19/1051196419.db2.gz AEJYBPFDKVEIPA-UHFFFAOYSA-N 1 1 330.653 4.350 20 10 EICDMO CC1=C(C)CN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001181284446 1051196422 /nfs/dbraw/zinc/19/64/22/1051196422.db2.gz AEJYBPFDKVEIPA-UHFFFAOYSA-N 1 1 330.653 4.350 20 10 EICDMO CN(C)c1ccc(F)cc1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001181555332 1051251468 /nfs/dbraw/zinc/25/14/68/1051251468.db2.gz KVINWGRWWJQYGV-UHFFFAOYSA-N 1 1 341.474 4.124 20 10 EICDMO CCC[C@@H](C[N@@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1)OC ZINC001181566594 1051261548 /nfs/dbraw/zinc/26/15/48/1051261548.db2.gz YDBBGHKFBVDYIN-IBGZPJMESA-N 1 1 330.472 4.163 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c(Cl)c1 ZINC001181729154 1051288733 /nfs/dbraw/zinc/28/87/33/1051288733.db2.gz KPNKRJDFPKMJQP-UONOGXRCSA-N 1 1 334.674 4.370 20 10 EICDMO C[N@@H+](CCc1ccccn1)Cc1ccc(OCc2ccccc2)cc1O ZINC000183735163 1051323855 /nfs/dbraw/zinc/32/38/55/1051323855.db2.gz PXYRQKVHXLOTRR-UHFFFAOYSA-N 1 1 348.446 4.041 20 10 EICDMO COc1ccc(O)c(C[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)c1 ZINC001181988219 1051365587 /nfs/dbraw/zinc/36/55/87/1051365587.db2.gz XESRIWJUPAUIPW-KRWDZBQOSA-N 1 1 349.883 4.421 20 10 EICDMO Cc1cc(O)c(C[N@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)cc1Cl ZINC001182125452 1051395385 /nfs/dbraw/zinc/39/53/85/1051395385.db2.gz ABJDUDZZOZLSFG-HOTGVXAUSA-N 1 1 347.886 4.341 20 10 EICDMO Cc1cccc([C@H](O)C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)c1 ZINC000774256108 1051531518 /nfs/dbraw/zinc/53/15/18/1051531518.db2.gz DZYYTZMDARAPMY-PIGZYNQJSA-N 1 1 340.250 4.392 20 10 EICDMO Cc1cccc(NCC[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)n1 ZINC000774260965 1051532245 /nfs/dbraw/zinc/53/22/45/1051532245.db2.gz UKXUPOMRCQVBSH-LLVKDONJSA-N 1 1 340.254 4.165 20 10 EICDMO Cc1cnccc1CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774266881 1051535282 /nfs/dbraw/zinc/53/52/82/1051535282.db2.gz SALVLRLHDUZRNA-LLVKDONJSA-N 1 1 325.239 4.296 20 10 EICDMO CO[C@@H](CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O)C(F)(F)F ZINC000774376051 1051566465 /nfs/dbraw/zinc/56/64/65/1051566465.db2.gz XAHFNWOJLPUKEE-KRTXAFLBSA-N 1 1 346.176 4.317 20 10 EICDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC001182452508 1051580524 /nfs/dbraw/zinc/58/05/24/1051580524.db2.gz OFYYEMKTNZJHGQ-IXDOHACOSA-N 1 1 325.452 4.448 20 10 EICDMO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001182754782 1051682532 /nfs/dbraw/zinc/68/25/32/1051682532.db2.gz ORMXVVSSBQNHAS-OAHLLOKOSA-N 1 1 335.488 4.088 20 10 EICDMO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1c(O)cccc1F ZINC001183920259 1051928088 /nfs/dbraw/zinc/92/80/88/1051928088.db2.gz WIODMAZVBRXOSQ-NSHDSACASA-N 1 1 327.321 4.271 20 10 EICDMO COc1c(O)c(C[N@H+]([C@@H](C)c2ccccc2)C2CC2)ccc1[N+](=O)[O-] ZINC000774835392 1052177347 /nfs/dbraw/zinc/17/73/47/1052177347.db2.gz KVTLARWLPQXANS-ZDUSSCGKSA-N 1 1 342.395 4.035 20 10 EICDMO COc1c(O)c(C[N@@H+]([C@@H](C)c2ccccc2)C2CC2)ccc1[N+](=O)[O-] ZINC000774835392 1052177350 /nfs/dbraw/zinc/17/73/50/1052177350.db2.gz KVTLARWLPQXANS-ZDUSSCGKSA-N 1 1 342.395 4.035 20 10 EICDMO Cc1cc(C[N@H+]2CCCO[C@H](C(C)C)C2)ccc1N1CCCCC1 ZINC001194626921 1052180443 /nfs/dbraw/zinc/18/04/43/1052180443.db2.gz UMBGHMOZARHXGW-NRFANRHFSA-N 1 1 330.516 4.232 20 10 EICDMO Cc1cc(C[N@H+]2CCSC3(CCOCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000184835262 1052245173 /nfs/dbraw/zinc/24/51/73/1052245173.db2.gz VQRBNYYPXOAFNR-UHFFFAOYSA-N 1 1 349.540 4.096 20 10 EICDMO COc1ccc(O)c([C@H](C)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c1 ZINC000185447481 1052607368 /nfs/dbraw/zinc/60/73/68/1052607368.db2.gz GLUCMBUGCNUGJD-CVEARBPZSA-N 1 1 342.483 4.181 20 10 EICDMO Cc1cc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)ccc1N1CCCCC1 ZINC001194862758 1053129052 /nfs/dbraw/zinc/12/90/52/1053129052.db2.gz DYUZZHVSFNAZIM-LEWJYISDSA-N 1 1 342.527 4.375 20 10 EICDMO C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1cccc(C(F)(F)F)c1O ZINC000850525503 1053285349 /nfs/dbraw/zinc/28/53/49/1053285349.db2.gz JWAVIYZCFQSSOP-AMKSKSKJSA-N 1 1 337.341 4.240 20 10 EICDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000775654887 1053393056 /nfs/dbraw/zinc/39/30/56/1053393056.db2.gz QKAOSCCFCFCPHZ-INIZCTEOSA-N 1 1 336.435 4.262 20 10 EICDMO COc1ccc(OC)c(C[N@@H+](Cc2cccc(Cl)c2[O-])C2CC2)c1 ZINC000775653019 1053396974 /nfs/dbraw/zinc/39/69/74/1053396974.db2.gz ZYOOVVACDWRSNQ-UHFFFAOYSA-N 1 1 347.842 4.227 20 10 EICDMO C[N@@H+](Cc1ccccc1O)Cc1c(Cl)cccc1N1CCCC1 ZINC000775656627 1053398173 /nfs/dbraw/zinc/39/81/73/1053398173.db2.gz XTQADWCXGVJGAF-UHFFFAOYSA-N 1 1 330.859 4.278 20 10 EICDMO CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775652939 1053399529 /nfs/dbraw/zinc/39/95/29/1053399529.db2.gz WGPSOTUGJNTPDX-UHFFFAOYSA-N 1 1 342.886 4.129 20 10 EICDMO CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001195423025 1053411108 /nfs/dbraw/zinc/41/11/08/1053411108.db2.gz BTGBCVRMOVOBTP-FPOVZHCZSA-N 1 1 342.527 4.171 20 10 EICDMO CC[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(C)cc1O ZINC000794826706 1053440219 /nfs/dbraw/zinc/44/02/19/1053440219.db2.gz CXCYDADVWZBXHC-PZJWPPBQSA-N 1 1 338.495 4.263 20 10 EICDMO CCC[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC000775668280 1053458356 /nfs/dbraw/zinc/45/83/56/1053458356.db2.gz VXHNPLJHMOSKMD-AWEZNQCLSA-N 1 1 346.858 4.285 20 10 EICDMO CCC[N@H+](Cc1csc([C@@H](C)OCC)n1)Cc1ccccc1O ZINC000120622682 1053547333 /nfs/dbraw/zinc/54/73/33/1053547333.db2.gz IWTOTNVHJPHQLM-CQSZACIVSA-N 1 1 334.485 4.358 20 10 EICDMO CCC[N@@H+](Cc1csc([C@@H](C)OCC)n1)Cc1ccccc1O ZINC000120622682 1053547344 /nfs/dbraw/zinc/54/73/44/1053547344.db2.gz IWTOTNVHJPHQLM-CQSZACIVSA-N 1 1 334.485 4.358 20 10 EICDMO Cc1nc2sccn2c1C[N@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000775679233 1053555628 /nfs/dbraw/zinc/55/56/28/1053555628.db2.gz RRBDPHVIEFBNCA-UHFFFAOYSA-N 1 1 335.860 4.004 20 10 EICDMO Cn1cc(C[N@@H+](Cc2ccccc2O)C2CCCC2)c(C(C)(C)C)n1 ZINC000775692257 1053612319 /nfs/dbraw/zinc/61/23/19/1053612319.db2.gz TYVJUNKDEMNIAW-UHFFFAOYSA-N 1 1 341.499 4.368 20 10 EICDMO Cc1ccc(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)o1 ZINC000866478575 1053744509 /nfs/dbraw/zinc/74/45/09/1053744509.db2.gz JVHQMTSOTQLMEN-VIFPVBQESA-N 1 1 328.181 4.046 20 10 EICDMO C[C@@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1cc(F)cc(F)c1O ZINC000866482238 1053745954 /nfs/dbraw/zinc/74/59/54/1053745954.db2.gz VYNWWAQSIJNVTI-WBMJQRKESA-N 1 1 325.399 4.060 20 10 EICDMO C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1ccc(F)cc1O ZINC000866541571 1053776248 /nfs/dbraw/zinc/77/62/48/1053776248.db2.gz OUABFIJEOBEMHJ-VIFPVBQESA-N 1 1 329.293 4.123 20 10 EICDMO C[C@@H]([NH2+]Cc1ncc(Br)s1)c1ccc(Cl)cc1O ZINC000866619589 1053809116 /nfs/dbraw/zinc/80/91/16/1053809116.db2.gz FOTIUMCVAYDAEA-SSDOTTSWSA-N 1 1 347.665 4.115 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1O ZINC000775833190 1054107876 /nfs/dbraw/zinc/10/78/76/1054107876.db2.gz HUXPMTDCJXKXOZ-GFCCVEGCSA-N 1 1 346.858 4.165 20 10 EICDMO Cc1cc([O-])c(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(Cl)c1 ZINC001199320978 1054392422 /nfs/dbraw/zinc/39/24/22/1054392422.db2.gz SLCNHSFOWGKFEQ-HZPDHXFCSA-N 1 1 338.923 4.202 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1)c1cc(F)cc(F)c1O ZINC000872130735 1054405972 /nfs/dbraw/zinc/40/59/72/1054405972.db2.gz LJEXLGGXGBEMEH-DTWKUNHWSA-N 1 1 346.299 4.496 20 10 EICDMO Cc1nccn1CC[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000776010182 1054443561 /nfs/dbraw/zinc/44/35/61/1054443561.db2.gz NAJQZHRKOREDBX-QGZVFWFLSA-N 1 1 335.451 4.161 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H]2CCC[C@@H](C)C2)c1 ZINC001199761217 1054464307 /nfs/dbraw/zinc/46/43/07/1054464307.db2.gz VFZIPILSOVIAPU-YPMHNXCESA-N 1 1 326.278 4.379 20 10 EICDMO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@H+](C)Cc1ccccc1O ZINC000776101956 1054543358 /nfs/dbraw/zinc/54/33/58/1054543358.db2.gz KMHOISVZPVAJBX-LBPRGKRZSA-N 1 1 343.427 4.243 20 10 EICDMO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@@H+](C)Cc1ccccc1O ZINC000776101956 1054543382 /nfs/dbraw/zinc/54/33/82/1054543382.db2.gz KMHOISVZPVAJBX-LBPRGKRZSA-N 1 1 343.427 4.243 20 10 EICDMO COc1cc(C[N@H+]2CCC[C@@](C)(OC)CC2)c(O)c(C(C)(C)C)c1 ZINC000825748750 1054720738 /nfs/dbraw/zinc/72/07/38/1054720738.db2.gz IFFUFQXVACISMD-HXUWFJFHSA-N 1 1 335.488 4.089 20 10 EICDMO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+]Cc1cc(F)cc(F)c1O ZINC001201424786 1054796736 /nfs/dbraw/zinc/79/67/36/1054796736.db2.gz CTUIXPDBBPXRSL-CYBMUJFWSA-N 1 1 335.394 4.446 20 10 EICDMO CC(C)Nc1ccc(Nc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1 ZINC001201498235 1054819958 /nfs/dbraw/zinc/81/99/58/1054819958.db2.gz VUEBEQATOBAMQA-UHFFFAOYSA-N 1 1 342.462 4.141 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccccc1-n1cccn1 ZINC001137099377 1054851947 /nfs/dbraw/zinc/85/19/47/1054851947.db2.gz LFYYQQJBZBGQCE-UHFFFAOYSA-N 1 1 346.478 4.105 20 10 EICDMO COc1cc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)ccc1O ZINC000125947469 1054903851 /nfs/dbraw/zinc/90/38/51/1054903851.db2.gz SXACORXMGFMESG-UHFFFAOYSA-N 1 1 340.467 4.023 20 10 EICDMO CC[N@H+](Cc1c(O)cccc1Br)[C@H](C)c1cccnc1 ZINC000862367979 1055058066 /nfs/dbraw/zinc/05/80/66/1055058066.db2.gz ALYHOPCBNWXLDE-GFCCVEGCSA-N 1 1 335.245 4.133 20 10 EICDMO CC[N@@H+](Cc1c(O)cccc1Br)[C@H](C)c1cccnc1 ZINC000862367979 1055058082 /nfs/dbraw/zinc/05/80/82/1055058082.db2.gz ALYHOPCBNWXLDE-GFCCVEGCSA-N 1 1 335.245 4.133 20 10 EICDMO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)c(O)c1 ZINC000877476024 1055060728 /nfs/dbraw/zinc/06/07/28/1055060728.db2.gz RMUMXPDEAXHITH-UHFFFAOYSA-N 1 1 329.415 4.021 20 10 EICDMO CC(C)(COCc1ccccc1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC001202150723 1055076207 /nfs/dbraw/zinc/07/62/07/1055076207.db2.gz KWWMIMSUBQGYKW-UHFFFAOYSA-N 1 1 337.822 4.270 20 10 EICDMO COc1c(O)c(C[NH2+][C@H](c2cccc(C)c2)C(C)C)ccc1[N+](=O)[O-] ZINC000862524609 1055077103 /nfs/dbraw/zinc/07/71/03/1055077103.db2.gz NWSDVKPRTBOOIQ-KRWDZBQOSA-N 1 1 344.411 4.104 20 10 EICDMO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000765784603 1055302552 /nfs/dbraw/zinc/30/25/52/1055302552.db2.gz SJEQBRPAXWJYBT-PMACEKPBSA-N 1 1 343.559 4.448 20 10 EICDMO CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000765784603 1055302570 /nfs/dbraw/zinc/30/25/70/1055302570.db2.gz SJEQBRPAXWJYBT-PMACEKPBSA-N 1 1 343.559 4.448 20 10 EICDMO COc1ccccc1[C@H](C[NH2+][C@H](C)c1ccc(F)cc1O)OC(C)C ZINC000186384455 1055430437 /nfs/dbraw/zinc/43/04/37/1055430437.db2.gz QNZUPYGJMRRZTR-VLIAUNLRSA-N 1 1 347.430 4.357 20 10 EICDMO C[C@H](N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765875241 1056039734 /nfs/dbraw/zinc/03/97/34/1056039734.db2.gz YRDKJZGUSKONEY-GHTZIAJQSA-N 1 1 341.543 4.202 20 10 EICDMO C[C@H](N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765875241 1056039750 /nfs/dbraw/zinc/03/97/50/1056039750.db2.gz YRDKJZGUSKONEY-GHTZIAJQSA-N 1 1 341.543 4.202 20 10 EICDMO Cc1ccc(-c2nc(C[NH2+]Cc3ccc4c(c3)CCCO4)co2)cc1 ZINC000921808177 1056615616 /nfs/dbraw/zinc/61/56/16/1056615616.db2.gz VABHENOQXBJNTB-UHFFFAOYSA-N 1 1 334.419 4.265 20 10 EICDMO C[N@@H+](Cc1ccc(Br)cc1)Cc1cc2c(cc1O)CCC2 ZINC000007976935 1056833714 /nfs/dbraw/zinc/83/37/14/1056833714.db2.gz RYOHGMLJZGTBRP-UHFFFAOYSA-N 1 1 346.268 4.275 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)cc1C ZINC000742165266 1058525523 /nfs/dbraw/zinc/52/55/23/1058525523.db2.gz JEJQHBXMIRSBRP-UTKZUKDTSA-N 1 1 325.452 4.279 20 10 EICDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2cc3c(cc2O)OCO3)c1C ZINC000742153155 1058533839 /nfs/dbraw/zinc/53/38/39/1058533839.db2.gz OYWVGNZUURFGES-QGZVFWFLSA-N 1 1 325.408 4.075 20 10 EICDMO Cc1ccc(O)c(CNc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)c1 ZINC000744446829 1059515607 /nfs/dbraw/zinc/51/56/07/1059515607.db2.gz DLDOZMUTJMOXDX-KRWDZBQOSA-N 1 1 340.467 4.033 20 10 EICDMO CCCC[N@@H+](Cc1ccccc1O)Cc1cc(F)cc(C(C)=O)c1O ZINC001169755097 1060944255 /nfs/dbraw/zinc/94/42/55/1060944255.db2.gz SGOGZCAGBBTZCS-UHFFFAOYSA-N 1 1 345.414 4.242 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1cccc2[nH]ccc21)C[C@H]1CCCO1 ZINC000160206403 1018847667 /nfs/dbraw/zinc/84/76/67/1018847667.db2.gz HUQCRTFPDYIIKV-GOSISDBHSA-N 1 1 336.435 4.055 20 10 EICDMO Cc1cc(O)c(C[NH2+][C@@H](C)c2nc(C3CCCCC3)no2)cc1C ZINC000237564566 1032870875 /nfs/dbraw/zinc/87/08/75/1032870875.db2.gz MOKGSEAPOAQIKO-AWEZNQCLSA-N 1 1 329.444 4.291 20 10 EICDMO CC[C@H]([NH2+][C@H](c1nccn1C)c1ccc(F)cc1)c1ccccc1O ZINC000155044423 1020205178 /nfs/dbraw/zinc/20/51/78/1020205178.db2.gz OUIDWRALMPNBMX-HKUYNNGSSA-N 1 1 339.414 4.095 20 10 EICDMO CCN(C)c1ccc([C@H](C)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000160466203 1021880817 /nfs/dbraw/zinc/88/08/17/1021880817.db2.gz MBSSXGOAINIPQT-KRWDZBQOSA-N 1 1 329.532 4.200 20 10 EICDMO Cc1ccc([C@H](C)[NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)c(O)c1 ZINC000363856766 1022859999 /nfs/dbraw/zinc/85/99/99/1022859999.db2.gz BSSWIQBKFFSWNZ-XOBRGWDASA-N 1 1 339.414 4.013 20 10 EICDMO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC000311073416 1022866576 /nfs/dbraw/zinc/86/65/76/1022866576.db2.gz KNNOACVXAZUYKK-CMKODMSKSA-N 1 1 338.495 4.262 20 10 EICDMO C[C@H]([NH2+]C[C@H]1CCCN(Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000311222992 1023006475 /nfs/dbraw/zinc/00/64/75/1023006475.db2.gz VSSLZPKTRBHDSV-FUHWJXTLSA-N 1 1 342.458 4.094 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@@H+](Cc2ccco2)C(C)C)c1 ZINC000781896727 1023442425 /nfs/dbraw/zinc/44/24/25/1023442425.db2.gz MRUNTLOOCIBBID-UHFFFAOYSA-N 1 1 338.245 4.467 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+](Cc2ccco2)C(C)C)c1 ZINC000781896727 1023442431 /nfs/dbraw/zinc/44/24/31/1023442431.db2.gz MRUNTLOOCIBBID-UHFFFAOYSA-N 1 1 338.245 4.467 20 10 EICDMO Cc1cccc(C[NH2+][C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1O ZINC000276698100 1023877038 /nfs/dbraw/zinc/87/70/38/1023877038.db2.gz AVFCXTXHMUXGFN-CYBMUJFWSA-N 1 1 341.386 4.049 20 10 EICDMO C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310108593 1024351107 /nfs/dbraw/zinc/35/11/07/1024351107.db2.gz DQWQGWCIMOVFTQ-CRAIPNDOSA-N 1 1 344.886 4.046 20 10 EICDMO CC[C@@H]([NH2+][C@@H](CC)c1ccc(F)cc1O)c1ccc2c(c1)OCCO2 ZINC000796703708 1025018945 /nfs/dbraw/zinc/01/89/45/1025018945.db2.gz UJDBDSJRZPKIQN-SJORKVTESA-N 1 1 345.414 4.495 20 10 EICDMO CC[C@H](N[C@@H](c1n[nH]c(C)n1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000162555183 1025151895 /nfs/dbraw/zinc/15/18/95/1025151895.db2.gz UPOOMXAJBVAZPG-VQTJNVASSA-N 1 1 349.482 4.009 20 10 EICDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000894520408 1026117348 /nfs/dbraw/zinc/11/73/48/1026117348.db2.gz MKNJNJXUSLWUSM-KRWDZBQOSA-N 1 1 345.439 4.001 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1nc(C(F)(F)F)cs1 ZINC000279432395 1026425190 /nfs/dbraw/zinc/42/51/90/1026425190.db2.gz GSSFLEUBEGTEKU-JGVFFNPUSA-N 1 1 334.338 4.418 20 10 EICDMO COc1ccc(N2CCC[N@H+]([C@@H](C)c3c(F)cccc3F)CC2)cc1 ZINC000108090624 1026772498 /nfs/dbraw/zinc/77/24/98/1026772498.db2.gz OJMQFHAQASHBSX-HNNXBMFYSA-N 1 1 346.421 4.247 20 10 EICDMO CC[C@@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1ccc(F)cc1O ZINC000796663403 1027404880 /nfs/dbraw/zinc/40/48/80/1027404880.db2.gz MDXFNHGEDSRDCN-MSOLQXFVSA-N 1 1 334.410 4.014 20 10 EICDMO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1c(O)cccc1F ZINC000896637933 1027758694 /nfs/dbraw/zinc/75/86/94/1027758694.db2.gz RRWPDHKBJJBBEN-AWEZNQCLSA-N 1 1 344.430 4.162 20 10 EICDMO CC[C@@H](c1ccccc1O)[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000367317019 1029338637 /nfs/dbraw/zinc/33/86/37/1029338637.db2.gz GZEWFWDIUVFSHL-APWZRJJASA-N 1 1 339.483 4.256 20 10 EICDMO C[C@H]1CC([N@H+](C)Cc2ccccc2O)C[C@H](C)N1Cc1ccccc1 ZINC001168064917 1029636418 /nfs/dbraw/zinc/63/64/18/1029636418.db2.gz SFLBKFUGQSOQTD-ROUUACIJSA-N 1 1 338.495 4.266 20 10 EICDMO C[C@H]1CC([N@@H+](C)Cc2ccccc2O)C[C@H](C)N1Cc1ccccc1 ZINC001168064917 1029636421 /nfs/dbraw/zinc/63/64/21/1029636421.db2.gz SFLBKFUGQSOQTD-ROUUACIJSA-N 1 1 338.495 4.266 20 10 EICDMO CCOc1ccc(O)c(C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)c1 ZINC000278682077 1029686123 /nfs/dbraw/zinc/68/61/23/1029686123.db2.gz IBTQLYIMSVHOHH-SECBINFHSA-N 1 1 346.374 4.117 20 10 EICDMO COc1ccc(O)c([C@H](C)[NH2+][C@H](c2nccs2)c2ccccc2)c1 ZINC000185235065 1030133713 /nfs/dbraw/zinc/13/37/13/1030133713.db2.gz JHZWVLYGQQUHCL-UGSOOPFHSA-N 1 1 340.448 4.298 20 10 EICDMO COCCC1CC[NH+]([C@@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000527938529 1030952434 /nfs/dbraw/zinc/95/24/34/1030952434.db2.gz XHFZZFMRZFSMOF-LBPRGKRZSA-N 1 1 331.378 4.221 20 10 EICDMO CCOC(=O)C(=Cc1cc(C)c(C)[nH+]c1NC[C@H]1C[C@H](F)C1)N=[N+]=[N-] ZINC001168234396 1031386740 /nfs/dbraw/zinc/38/67/40/1031386740.db2.gz WZQYZPUTJSVEPK-WLOSUKBJSA-N 1 1 347.394 4.073 20 10 EICDMO CCOCc1cc(C[NH2+][C@@H](C)c2c(F)cccc2F)ccc1OC ZINC000905006846 1035704237 /nfs/dbraw/zinc/70/42/37/1035704237.db2.gz SBPCHPSITKPQNM-ZDUSSCGKSA-N 1 1 335.394 4.361 20 10 EICDMO C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc2ccccc2c1[O-] ZINC000323861760 1035719196 /nfs/dbraw/zinc/71/91/96/1035719196.db2.gz PAMUCUUFSBLOCP-IAGOWNOFSA-N 1 1 326.484 4.461 20 10 EICDMO C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc2ccccc2c1[O-] ZINC000323861760 1035719219 /nfs/dbraw/zinc/71/92/19/1035719219.db2.gz PAMUCUUFSBLOCP-IAGOWNOFSA-N 1 1 326.484 4.461 20 10 EICDMO CCOc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(OC)c2O)cc1 ZINC000761183447 1035893803 /nfs/dbraw/zinc/89/38/03/1035893803.db2.gz KFSNEYJTFUYAFZ-UHFFFAOYSA-N 1 1 335.831 4.085 20 10 EICDMO CCC[NH+]1CCC(NCc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000323897673 1036842477 /nfs/dbraw/zinc/84/24/77/1036842477.db2.gz OXKHIFQDKSWHAC-UHFFFAOYSA-N 1 1 325.500 4.058 20 10 EICDMO CN1CCCc2cc(C[NH2+][C@@H](c3ccccc3)c3ccccn3)ccc21 ZINC000171377749 1037363187 /nfs/dbraw/zinc/36/31/87/1037363187.db2.gz IBHGUFVSNVXOGK-QHCPKHFHSA-N 1 1 343.474 4.343 20 10 EICDMO CO[C@@H](C)c1nc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)cs1 ZINC000273621527 1037527381 /nfs/dbraw/zinc/52/73/81/1037527381.db2.gz ZEXXIFADJGSZBV-ZJUUUORDSA-N 1 1 326.849 4.060 20 10 EICDMO C[C@@H](c1cccs1)[N@H+](C)Cc1cccc(Br)c1O ZINC000157833932 1038168621 /nfs/dbraw/zinc/16/86/21/1038168621.db2.gz VTJCJMVERXMYBI-JTQLQIEISA-N 1 1 326.259 4.409 20 10 EICDMO C[C@@H](c1cccs1)[N@@H+](C)Cc1cccc(Br)c1O ZINC000157833932 1038168641 /nfs/dbraw/zinc/16/86/41/1038168641.db2.gz VTJCJMVERXMYBI-JTQLQIEISA-N 1 1 326.259 4.409 20 10 EICDMO COc1ccc2ccc(O)c(C[N@@H+](C)Cc3ccc(F)c(F)c3)c2c1 ZINC000913066938 1038648178 /nfs/dbraw/zinc/64/81/78/1038648178.db2.gz ZZKKPPVHCLLFRU-UHFFFAOYSA-N 1 1 343.373 4.464 20 10 EICDMO CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000151094808 1038666842 /nfs/dbraw/zinc/66/68/42/1038666842.db2.gz MVVNZLXQXFFABM-OALUTQOASA-N 1 1 329.532 4.059 20 10 EICDMO COc1ccc2ccc(O)c(C[N@H+]3CCO[C@@H](c4ccccc4)C3)c2c1 ZINC000029892568 1042430711 /nfs/dbraw/zinc/43/07/11/1042430711.db2.gz GXMIQMWTNBGHQF-JOCHJYFZSA-N 1 1 349.430 4.128 20 10 EICDMO CC[C@@H]1CC[C@H](C)[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000715736048 1043207570 /nfs/dbraw/zinc/20/75/70/1043207570.db2.gz FTJNTAKXIBQPEQ-WDEREUQCSA-N 1 1 330.241 4.304 20 10 EICDMO CC[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000715736048 1043207579 /nfs/dbraw/zinc/20/75/79/1043207579.db2.gz FTJNTAKXIBQPEQ-WDEREUQCSA-N 1 1 330.241 4.304 20 10 EICDMO CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1c([O-])ccc2ccncc21 ZINC000727425904 1043218860 /nfs/dbraw/zinc/21/88/60/1043218860.db2.gz BTXCNRSVOHWGPG-UHFFFAOYSA-N 1 1 349.478 4.024 20 10 EICDMO CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1c([O-])ccc2ccncc21 ZINC000727425904 1043218865 /nfs/dbraw/zinc/21/88/65/1043218865.db2.gz BTXCNRSVOHWGPG-UHFFFAOYSA-N 1 1 349.478 4.024 20 10 EICDMO Oc1ccc2ccccc2c1C[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000727423369 1043218886 /nfs/dbraw/zinc/21/88/86/1043218886.db2.gz FZRYQBHESOKSOP-NRFANRHFSA-N 1 1 337.394 4.258 20 10 EICDMO CCCN(CCC)c1ccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000727644359 1043255188 /nfs/dbraw/zinc/25/51/88/1043255188.db2.gz BNCAKIOERRKCTC-SFTDATJTSA-N 1 1 329.532 4.029 20 10 EICDMO CCCN(CCC)c1ccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1 ZINC000727644359 1043255215 /nfs/dbraw/zinc/25/52/15/1043255215.db2.gz BNCAKIOERRKCTC-SFTDATJTSA-N 1 1 329.532 4.029 20 10 EICDMO C[N@@H+](Cc1ccc(F)cc1Cl)Cc1c(O)ccc2ccncc21 ZINC000730455813 1043525348 /nfs/dbraw/zinc/52/53/48/1043525348.db2.gz UDQBOWNTRVPLCI-UHFFFAOYSA-N 1 1 330.790 4.365 20 10 EICDMO COc1ccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)cc1F ZINC000731845877 1043833600 /nfs/dbraw/zinc/83/36/00/1043833600.db2.gz LDWUKAAMRWRGKW-UHFFFAOYSA-N 1 1 329.415 4.485 20 10 EICDMO Cc1ccc(NC(=O)C[N@@H+](Cc2ccccc2O)C2CCCC2)cc1 ZINC000731847129 1043834371 /nfs/dbraw/zinc/83/43/71/1043834371.db2.gz DJZQFYZRKAMVRK-UHFFFAOYSA-N 1 1 338.451 4.084 20 10 EICDMO CCc1oc2ccccc2c1C[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000732550716 1043958364 /nfs/dbraw/zinc/95/83/64/1043958364.db2.gz POAWKTHWXKAJNK-UHFFFAOYSA-N 1 1 339.391 4.062 20 10 EICDMO Cc1ccc(C[C@@H]2CCC[N@H+]2Cc2c(O)ccc3ccncc32)cc1 ZINC000733301505 1044171247 /nfs/dbraw/zinc/17/12/47/1044171247.db2.gz SXKISBGEWKEVEC-IBGZPJMESA-N 1 1 332.447 4.456 20 10 EICDMO COc1cc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000766119647 1044237562 /nfs/dbraw/zinc/23/75/62/1044237562.db2.gz QOIJXJNSZINQIM-GFCCVEGCSA-N 1 1 345.405 4.473 20 10 EICDMO CCc1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000735309220 1044799179 /nfs/dbraw/zinc/79/91/79/1044799179.db2.gz JLPHZQZOWHLAOQ-FQEVSTJZSA-N 1 1 325.452 4.136 20 10 EICDMO Cc1cccc(C[NH2+]C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)c1O ZINC001168031178 1044812493 /nfs/dbraw/zinc/81/24/93/1044812493.db2.gz YAWIAGUTFPNEBL-ROUUACIJSA-N 1 1 338.495 4.232 20 10 EICDMO Oc1c(Br)cccc1C[NH2+][C@H]1CSc2ccccc21 ZINC000735508542 1044830946 /nfs/dbraw/zinc/83/09/46/1044830946.db2.gz DBWBNNRHDGVYSL-ZDUSSCGKSA-N 1 1 336.254 4.091 20 10 EICDMO C[N@@H+](Cc1cc(Br)ccc1O)C1CCC(F)(F)CC1 ZINC000711086034 1044839068 /nfs/dbraw/zinc/83/90/68/1044839068.db2.gz IZTSAWSOSAJAFO-UHFFFAOYSA-N 1 1 334.204 4.164 20 10 EICDMO CC(C)[N@H+](C)CC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000738089810 1045032466 /nfs/dbraw/zinc/03/24/66/1045032466.db2.gz MUFNJQOPAQRVDQ-UHFFFAOYSA-N 1 1 326.484 4.098 20 10 EICDMO CC(C)[N@@H+](C)CC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000738089810 1045032475 /nfs/dbraw/zinc/03/24/75/1045032475.db2.gz MUFNJQOPAQRVDQ-UHFFFAOYSA-N 1 1 326.484 4.098 20 10 EICDMO CC[N@@H+](Cc1cc2oc3ccccc3c2cc1O)C[C@@H]1CCOC1 ZINC000738077958 1045032739 /nfs/dbraw/zinc/03/27/39/1045032739.db2.gz YRMIJIWSNPVAEW-AWEZNQCLSA-N 1 1 325.408 4.150 20 10 EICDMO CC[N@H+](Cc1cc2oc3ccccc3c2cc1O)C[C@@H]1CCOC1 ZINC000738077958 1045032753 /nfs/dbraw/zinc/03/27/53/1045032753.db2.gz YRMIJIWSNPVAEW-AWEZNQCLSA-N 1 1 325.408 4.150 20 10 EICDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)C1(C)C ZINC000740862192 1045232956 /nfs/dbraw/zinc/23/29/56/1045232956.db2.gz AJAHNISCUBTEMX-IAGOWNOFSA-N 1 1 335.488 4.031 20 10 EICDMO CC(C)(C)OC1CC(CC[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000762459390 1045247790 /nfs/dbraw/zinc/24/77/90/1045247790.db2.gz ZWGVNKPFUSBTTM-UHFFFAOYSA-N 1 1 329.843 4.258 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCCC[C@@H]2c2ccccc2)cc1OC ZINC000762469613 1045248924 /nfs/dbraw/zinc/24/89/24/1045248924.db2.gz YWPKESJBRSQWSG-QGZVFWFLSA-N 1 1 327.424 4.137 20 10 EICDMO COCCC1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CCCCC1 ZINC000790990837 1045645894 /nfs/dbraw/zinc/64/58/94/1045645894.db2.gz LMOACSXIMMJYCA-UHFFFAOYSA-N 1 1 329.843 4.261 20 10 EICDMO CCn1c2ccccc2nc1C[N@@H+](CC)Cc1ccc(N(C)C)cc1 ZINC000768133887 1045723461 /nfs/dbraw/zinc/72/34/61/1045723461.db2.gz MVGRNFFHFXKCFV-UHFFFAOYSA-N 1 1 336.483 4.144 20 10 EICDMO CCn1c2ccccc2nc1C[N@H+](CC)Cc1ccc(N(C)C)cc1 ZINC000768133887 1045723445 /nfs/dbraw/zinc/72/34/45/1045723445.db2.gz MVGRNFFHFXKCFV-UHFFFAOYSA-N 1 1 336.483 4.144 20 10 EICDMO COc1cccc(C[N@@H+](C)Cc2cccc(Cl)c2Cl)c1O ZINC000768169079 1045733551 /nfs/dbraw/zinc/73/35/51/1045733551.db2.gz FEMVWGWOMZCRNN-UHFFFAOYSA-N 1 1 326.223 4.340 20 10 EICDMO COc1cccc(C[N@H+](C)Cc2cccc(Cl)c2Cl)c1O ZINC000768169079 1045733534 /nfs/dbraw/zinc/73/35/34/1045733534.db2.gz FEMVWGWOMZCRNN-UHFFFAOYSA-N 1 1 326.223 4.340 20 10 EICDMO COc1cccc(C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)c1O ZINC000768174730 1045737829 /nfs/dbraw/zinc/73/78/29/1045737829.db2.gz MPZXMHLQFYLWSX-UHFFFAOYSA-N 1 1 326.223 4.340 20 10 EICDMO CC[C@@H](C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000768208595 1045742565 /nfs/dbraw/zinc/74/25/65/1045742565.db2.gz VBWYBOWHDUBIOM-FQEVSTJZSA-N 1 1 338.495 4.149 20 10 EICDMO C[N@H+](Cc1cc(Cl)ccc1O)Cc1ccccc1N1CCCC1 ZINC000768205434 1045743396 /nfs/dbraw/zinc/74/33/96/1045743396.db2.gz FNPXHXZILIOMRX-UHFFFAOYSA-N 1 1 330.859 4.278 20 10 EICDMO CC[N@H+](Cc1cccs1)Cc1cccc(Br)c1O ZINC000768196674 1045751115 /nfs/dbraw/zinc/75/11/15/1045751115.db2.gz FIDBFSKGKKMWFS-UHFFFAOYSA-N 1 1 326.259 4.238 20 10 EICDMO CC[N@@H+](Cc1cccs1)Cc1cccc(Br)c1O ZINC000768196674 1045751126 /nfs/dbraw/zinc/75/11/26/1045751126.db2.gz FIDBFSKGKKMWFS-UHFFFAOYSA-N 1 1 326.259 4.238 20 10 EICDMO CCOc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(O)c1 ZINC000768339236 1045791544 /nfs/dbraw/zinc/79/15/44/1045791544.db2.gz SXUUYXJEFNGWQN-UHFFFAOYSA-N 1 1 344.411 4.110 20 10 EICDMO COc1cc(O)c(C[N@H+]2C[C@@H](c3ccccc3C)C[C@@H]2C)cc1OC ZINC000768444390 1045806995 /nfs/dbraw/zinc/80/69/95/1045806995.db2.gz AQXZAYXHVKNPLV-HOTGVXAUSA-N 1 1 341.451 4.096 20 10 EICDMO C[C@@H](c1cccs1)[N@@H+](C)Cc1cc(Br)ccc1O ZINC000768416418 1045808916 /nfs/dbraw/zinc/80/89/16/1045808916.db2.gz FNVDPIRBVKJMGL-JTQLQIEISA-N 1 1 326.259 4.409 20 10 EICDMO COc1cc(O)c(C[N@H+]2C[C@H](C)C[C@H]2c2cccc(F)c2)cc1OC ZINC000768465492 1045810475 /nfs/dbraw/zinc/81/04/75/1045810475.db2.gz IEKHESKTOJGDEX-DYVFJYSZSA-N 1 1 345.414 4.132 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)cc1OC ZINC000768464072 1045810992 /nfs/dbraw/zinc/81/09/92/1045810992.db2.gz NDRGMYFZPMIFSF-QGZVFWFLSA-N 1 1 345.414 4.276 20 10 EICDMO COc1cc(O)c(C[N@H+]2C[C@H](C)C[C@@H]2c2ccccc2F)cc1OC ZINC000768464830 1045811306 /nfs/dbraw/zinc/81/13/06/1045811306.db2.gz BCLSYIHIOJFAIW-CXAGYDPISA-N 1 1 345.414 4.132 20 10 EICDMO CCC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(OCC)c1O ZINC000768470150 1045811365 /nfs/dbraw/zinc/81/13/65/1045811365.db2.gz DJJOBBLPPGQANP-UHFFFAOYSA-N 1 1 329.440 4.212 20 10 EICDMO CC[C@@H](C)Oc1cc(C[N@@H+](C)Cc2ccccc2O)ccc1OC ZINC000768873692 1045850994 /nfs/dbraw/zinc/85/09/94/1045850994.db2.gz UKQUYXPIHXBQTN-OAHLLOKOSA-N 1 1 329.440 4.210 20 10 EICDMO COc1ccc(N2CCC[N@@H+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)cc1 ZINC000768999154 1045875257 /nfs/dbraw/zinc/87/52/57/1045875257.db2.gz UJXMZPUCQNPPOD-SIKLNZKXSA-N 1 1 336.479 4.011 20 10 EICDMO COCCCC[N@@H+](Cc1ccccc1)Cc1cc(Cl)ccc1O ZINC000769108941 1045880041 /nfs/dbraw/zinc/88/00/41/1045880041.db2.gz OIBZKWGPBPFAOB-UHFFFAOYSA-N 1 1 333.859 4.474 20 10 EICDMO CCC[N@@H+](Cc1ccc(-n2ccnc2)cc1C)Cc1ccccc1O ZINC000792230131 1045880429 /nfs/dbraw/zinc/88/04/29/1045880429.db2.gz AVJWJGSKNVSWGS-UHFFFAOYSA-N 1 1 335.451 4.299 20 10 EICDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000769147180 1045880525 /nfs/dbraw/zinc/88/05/25/1045880525.db2.gz BSSXLLWHQBXTEW-HZPDHXFCSA-N 1 1 336.907 4.132 20 10 EICDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2c(O)cccc2Cl)C1 ZINC000769148999 1045885811 /nfs/dbraw/zinc/88/58/11/1045885811.db2.gz WQJYCVKUNHZAFJ-CVEARBPZSA-N 1 1 336.907 4.132 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1O ZINC000792354116 1045891793 /nfs/dbraw/zinc/89/17/93/1045891793.db2.gz GBEPGFVBACAOON-CQSZACIVSA-N 1 1 347.352 4.144 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1O ZINC000792354116 1045891794 /nfs/dbraw/zinc/89/17/94/1045891794.db2.gz GBEPGFVBACAOON-CQSZACIVSA-N 1 1 347.352 4.144 20 10 EICDMO CCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccc1O ZINC000769201354 1045893620 /nfs/dbraw/zinc/89/36/20/1045893620.db2.gz SCBNTQSARLPQCB-JXMROGBWSA-N 1 1 326.396 4.226 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)cc1 ZINC000769209189 1045893765 /nfs/dbraw/zinc/89/37/65/1045893765.db2.gz QPKSNLYDTGJHRP-UNMCSNQZSA-N 1 1 338.495 4.352 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000769209186 1045894186 /nfs/dbraw/zinc/89/41/86/1045894186.db2.gz QPKSNLYDTGJHRP-IFMALSPDSA-N 1 1 338.495 4.352 20 10 EICDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cc(C)ccc1O ZINC000769233160 1045896998 /nfs/dbraw/zinc/89/69/98/1045896998.db2.gz OCAIVBYEPIMCEM-IBGZPJMESA-N 1 1 335.451 4.407 20 10 EICDMO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cc(C)ccc1O ZINC000769233161 1045897906 /nfs/dbraw/zinc/89/79/06/1045897906.db2.gz OCAIVBYEPIMCEM-LJQANCHMSA-N 1 1 335.451 4.407 20 10 EICDMO COC(=O)c1ccccc1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000769385315 1045946547 /nfs/dbraw/zinc/94/65/47/1045946547.db2.gz VTDDMCJOFSTVCG-UHFFFAOYSA-N 1 1 339.435 4.124 20 10 EICDMO COc1ccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)cc1OC ZINC000769384986 1045946817 /nfs/dbraw/zinc/94/68/17/1045946817.db2.gz RXHGAGBEIPXKPY-UHFFFAOYSA-N 1 1 341.451 4.354 20 10 EICDMO COc1cccc(C[N@H+]2CCS[C@H](C)[C@@H]2c2ccccc2)c1O ZINC000769463709 1045983018 /nfs/dbraw/zinc/98/30/18/1045983018.db2.gz SXWSRBLDQSTJDY-RDTXWAMCSA-N 1 1 329.465 4.079 20 10 EICDMO CCOc1cccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c1O ZINC000769465677 1045983381 /nfs/dbraw/zinc/98/33/81/1045983381.db2.gz IMZJFVDKFCIUTD-PBHICJAKSA-N 1 1 329.415 4.308 20 10 EICDMO CCOc1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c(O)c1 ZINC000769532017 1046010330 /nfs/dbraw/zinc/01/03/30/1046010330.db2.gz GVLDRURVULNLMI-MRXNPFEDSA-N 1 1 347.842 4.098 20 10 EICDMO CCOc1ccc(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)c(O)c1 ZINC000769559702 1046022310 /nfs/dbraw/zinc/02/23/10/1046022310.db2.gz QIXCMLCBAXQHHE-CQSZACIVSA-N 1 1 333.378 4.059 20 10 EICDMO CC(C)n1nccc1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000792759700 1046061569 /nfs/dbraw/zinc/06/15/69/1046061569.db2.gz BUZZJTICPMFFGN-UHFFFAOYSA-N 1 1 326.488 4.086 20 10 EICDMO CC(C)n1nccc1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000792759700 1046061588 /nfs/dbraw/zinc/06/15/88/1046061588.db2.gz BUZZJTICPMFFGN-UHFFFAOYSA-N 1 1 326.488 4.086 20 10 EICDMO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792793807 1046065334 /nfs/dbraw/zinc/06/53/34/1046065334.db2.gz IKYYVLYCXRINOH-UHFFFAOYSA-N 1 1 341.377 4.008 20 10 EICDMO Cc1noc(C)c1C[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792793807 1046065350 /nfs/dbraw/zinc/06/53/50/1046065350.db2.gz IKYYVLYCXRINOH-UHFFFAOYSA-N 1 1 341.377 4.008 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000770320652 1046179170 /nfs/dbraw/zinc/17/91/70/1046179170.db2.gz DVLJVJIUOIELQN-UXHICEINSA-N 1 1 342.483 4.214 20 10 EICDMO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000770327120 1046180426 /nfs/dbraw/zinc/18/04/26/1046180426.db2.gz LKYYKZPLRPAOFD-DNVCBOLYSA-N 1 1 349.833 4.273 20 10 EICDMO CCC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@H](O)c1ccccc1 ZINC000793245140 1046189542 /nfs/dbraw/zinc/18/95/42/1046189542.db2.gz XKXRPEDHAAMSPO-CRAIPNDOSA-N 1 1 337.822 4.177 20 10 EICDMO COc1ccc(OC)c(C[N@@H+](Cc2ccccc2O)C(C)(C)C)c1 ZINC000770508727 1046209510 /nfs/dbraw/zinc/20/95/10/1046209510.db2.gz GEFCESZJOFKCIX-UHFFFAOYSA-N 1 1 329.440 4.210 20 10 EICDMO COc1cc(C[N@H+]2CCC[C@@H](CSC)C2)c(O)c(C(C)(C)C)c1 ZINC000793796831 1046334457 /nfs/dbraw/zinc/33/44/57/1046334457.db2.gz NICMMDXRWZHCEF-CQSZACIVSA-N 1 1 337.529 4.273 20 10 EICDMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000917474209 1046897900 /nfs/dbraw/zinc/89/79/00/1046897900.db2.gz IRJAXXZQGLMYFB-SFHVURJKSA-N 1 1 336.410 4.287 20 10 EICDMO CCC[N@@H+](Cc1cc(F)ccc1O)[C@@H](C)C(=O)Nc1ccccc1C ZINC000787327640 1046998766 /nfs/dbraw/zinc/99/87/66/1046998766.db2.gz JXZRJLZKVIJMSR-HNNXBMFYSA-N 1 1 344.430 4.079 20 10 EICDMO CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)c1cccc(Cl)c1[O-] ZINC000806148155 1047173431 /nfs/dbraw/zinc/17/34/31/1047173431.db2.gz CVUGZYVMBIUOPE-CRAIPNDOSA-N 1 1 338.923 4.454 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1O ZINC000788503023 1047206652 /nfs/dbraw/zinc/20/66/52/1047206652.db2.gz LVYBYDDMYURUCW-GFCCVEGCSA-N 1 1 338.373 4.328 20 10 EICDMO C[C@@H]([NH2+]CCOC1CCCCC1)c1cccc(C(F)(F)F)c1O ZINC000788648628 1047247171 /nfs/dbraw/zinc/24/71/71/1047247171.db2.gz QGCQGCUEPKEGRN-GFCCVEGCSA-N 1 1 331.378 4.411 20 10 EICDMO C[C@H]([NH2+]CCOC1CCCCC1)c1cccc(C(F)(F)F)c1O ZINC000788648632 1047247771 /nfs/dbraw/zinc/24/77/71/1047247771.db2.gz QGCQGCUEPKEGRN-LBPRGKRZSA-N 1 1 331.378 4.411 20 10 EICDMO C[C@@H]([NH2+]CC1(CCO)CCCCC1)c1cccc(C(F)(F)F)c1O ZINC000788629544 1047255950 /nfs/dbraw/zinc/25/59/50/1047255950.db2.gz WDNHIEZVWBQIHH-CYBMUJFWSA-N 1 1 345.405 4.395 20 10 EICDMO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788668663 1047267202 /nfs/dbraw/zinc/26/72/02/1047267202.db2.gz XMSGUCVQMUIEFJ-ZWNOBZJWSA-N 1 1 345.386 4.165 20 10 EICDMO C[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1cccc(C(F)(F)F)c1O ZINC000788741784 1047301125 /nfs/dbraw/zinc/30/11/25/1047301125.db2.gz VDZDXYBRKUOZGH-AGIUHOORSA-N 1 1 331.378 4.267 20 10 EICDMO CCOC1CC(CC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000788776153 1047312058 /nfs/dbraw/zinc/31/20/58/1047312058.db2.gz KIFMTNLJBPIDPY-HIFPTAJRSA-N 1 1 331.378 4.267 20 10 EICDMO CCOC[C@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)C(C)C ZINC000788984597 1047339138 /nfs/dbraw/zinc/33/91/38/1047339138.db2.gz LAVCSRGTRKYBHQ-HZMBPMFUSA-N 1 1 348.256 4.006 20 10 EICDMO Oc1ccc2ccccc2c1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824696074 1047904313 /nfs/dbraw/zinc/90/43/13/1047904313.db2.gz HJFIINGNNCTGIW-MISYRCLQSA-N 1 1 325.452 4.061 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824715879 1047910678 /nfs/dbraw/zinc/91/06/78/1047910678.db2.gz QBJURSJQIXJLQS-KCZVDYSFSA-N 1 1 337.463 4.185 20 10 EICDMO CO[C@H]1CC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C[C@H]1C ZINC000824820435 1047955778 /nfs/dbraw/zinc/95/57/78/1047955778.db2.gz FSIJACZBIXBFSZ-UZLBHIALSA-N 1 1 344.524 4.241 20 10 EICDMO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2nc(C)c3ccccc3n2)c1O ZINC000808691582 1048039004 /nfs/dbraw/zinc/03/90/04/1048039004.db2.gz SRJLSHPOIYOCFN-LBPRGKRZSA-N 1 1 341.842 4.456 20 10 EICDMO CO[C@H](C)c1nc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)cs1 ZINC000808701391 1048079754 /nfs/dbraw/zinc/07/97/54/1048079754.db2.gz WPSKAVZKPHCCFF-GHMZBOCLSA-N 1 1 340.876 4.369 20 10 EICDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000825510308 1048107645 /nfs/dbraw/zinc/10/76/45/1048107645.db2.gz ZYIFQARBCIDNJZ-WBMJQRKESA-N 1 1 347.256 4.133 20 10 EICDMO CN(C)c1ccc(CN[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000815091284 1048313926 /nfs/dbraw/zinc/31/39/26/1048313926.db2.gz OSFCAZPIAYGQCT-JOCHJYFZSA-N 1 1 337.511 4.069 20 10 EICDMO CN(C)c1ccc(CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000815091287 1048314743 /nfs/dbraw/zinc/31/47/43/1048314743.db2.gz OSFCAZPIAYGQCT-QFIPXVFZSA-N 1 1 337.511 4.069 20 10 EICDMO CC[N@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C[C@H]1CCCO1 ZINC000919947998 1048332435 /nfs/dbraw/zinc/33/24/35/1048332435.db2.gz QMNYLIDZCHXGCJ-CQSZACIVSA-N 1 1 329.440 4.018 20 10 EICDMO CCN(CC)c1ccc(C[NH2+]Cc2cccc(O)c2Cl)cc1F ZINC000815124320 1048337391 /nfs/dbraw/zinc/33/73/91/1048337391.db2.gz RZONHAKXLYMAQA-UHFFFAOYSA-N 1 1 336.838 4.321 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1 ZINC000815106266 1048349408 /nfs/dbraw/zinc/34/94/08/1048349408.db2.gz RMDLKFWGYOBVRN-NJDAHSKKSA-N 1 1 330.516 4.048 20 10 EICDMO CC(C)(CO)[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccccc1 ZINC000809655155 1048455959 /nfs/dbraw/zinc/45/59/59/1048455959.db2.gz CIGNZBLQIMIRFY-QGZVFWFLSA-N 1 1 337.822 4.034 20 10 EICDMO Oc1cccc(Cl)c1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000809700116 1048464617 /nfs/dbraw/zinc/46/46/17/1048464617.db2.gz XVHORLSDDCIBNJ-HHXXYDBFSA-N 1 1 343.854 4.050 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000809699833 1048465844 /nfs/dbraw/zinc/46/58/44/1048465844.db2.gz XNNHYNRSAGJGPM-QFIPXVFZSA-N 1 1 333.431 4.128 20 10 EICDMO Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815579132 1048517811 /nfs/dbraw/zinc/51/78/11/1048517811.db2.gz FPKGIYMBIYPTER-LRDDRELGSA-N 1 1 339.357 4.104 20 10 EICDMO C[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1cccc(C(F)(F)F)c1O ZINC000815585331 1048522197 /nfs/dbraw/zinc/52/21/97/1048522197.db2.gz DVKZQPOORLKATP-HZUKXOBISA-N 1 1 331.378 4.003 20 10 EICDMO C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1O ZINC000815586042 1048522325 /nfs/dbraw/zinc/52/23/25/1048522325.db2.gz YDUCDRPCXNNWOF-LLVKDONJSA-N 1 1 347.377 4.184 20 10 EICDMO CC[C@@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)C1CCOCC1 ZINC000815585845 1048522466 /nfs/dbraw/zinc/52/24/66/1048522466.db2.gz UKFIWHQWTBLXOG-IAQYHMDHSA-N 1 1 331.378 4.267 20 10 EICDMO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1cccc(C(F)(F)F)c1O ZINC000815589290 1048525650 /nfs/dbraw/zinc/52/56/50/1048525650.db2.gz ODSXCBUDGWNSQJ-OBCWZRDOSA-N 1 1 329.362 4.019 20 10 EICDMO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815576452 1048539104 /nfs/dbraw/zinc/53/91/04/1048539104.db2.gz QPPLHJYUIRUAAO-RYUDHWBXSA-N 1 1 339.357 4.398 20 10 EICDMO CSc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2O)N(C)C)cc1 ZINC000815659464 1048560957 /nfs/dbraw/zinc/56/09/57/1048560957.db2.gz CFYMENPBALFVQC-SCLBCKFNSA-N 1 1 348.487 4.207 20 10 EICDMO C[N@H+](Cc1ccccc1O)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809960957 1048571578 /nfs/dbraw/zinc/57/15/78/1048571578.db2.gz HUJGITFUVOLEAL-UHFFFAOYSA-N 1 1 341.194 4.239 20 10 EICDMO C[N@@H+](Cc1ccccc1O)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809960957 1048571595 /nfs/dbraw/zinc/57/15/95/1048571595.db2.gz HUJGITFUVOLEAL-UHFFFAOYSA-N 1 1 341.194 4.239 20 10 EICDMO C[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1cc(F)cc(F)c1O ZINC000815650344 1048574289 /nfs/dbraw/zinc/57/42/89/1048574289.db2.gz PCUVKWSPFNXWQO-QMMMGPOBSA-N 1 1 347.283 4.262 20 10 EICDMO CC[N@H+](Cc1ccccc1)Cc1cc(Br)c(F)cc1O ZINC001144299136 1048574531 /nfs/dbraw/zinc/57/45/31/1048574531.db2.gz QEFFRSCBCNUCNA-UHFFFAOYSA-N 1 1 338.220 4.316 20 10 EICDMO CC[N@@H+](Cc1ccccc1)Cc1cc(Br)c(F)cc1O ZINC001144299136 1048574548 /nfs/dbraw/zinc/57/45/48/1048574548.db2.gz QEFFRSCBCNUCNA-UHFFFAOYSA-N 1 1 338.220 4.316 20 10 EICDMO Cc1ccccc1C[N@@H+](C)Cc1cc(Br)c(F)cc1O ZINC001144300026 1048575893 /nfs/dbraw/zinc/57/58/93/1048575893.db2.gz OPVNTTOTFRVNSG-UHFFFAOYSA-N 1 1 338.220 4.234 20 10 EICDMO Cc1ccccc1C[N@H+](C)Cc1cc(Br)c(F)cc1O ZINC001144300026 1048575903 /nfs/dbraw/zinc/57/59/03/1048575903.db2.gz OPVNTTOTFRVNSG-UHFFFAOYSA-N 1 1 338.220 4.234 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(O)cc2C(F)(F)F)cc1 ZINC001144391912 1048625729 /nfs/dbraw/zinc/62/57/29/1048625729.db2.gz INBQWCUNCGIHAX-UHFFFAOYSA-N 1 1 338.373 4.109 20 10 EICDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2cc3c(cc2O)OCO3)cc1C ZINC000920485002 1048683741 /nfs/dbraw/zinc/68/37/41/1048683741.db2.gz NFXKMMNGXJSGKL-QGZVFWFLSA-N 1 1 325.408 4.075 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)cc1O ZINC000810209956 1048705711 /nfs/dbraw/zinc/70/57/11/1048705711.db2.gz XPDNPWGNEHAHCL-YCPHGPKFSA-N 1 1 342.405 4.079 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209956 1048705729 /nfs/dbraw/zinc/70/57/29/1048705729.db2.gz XPDNPWGNEHAHCL-YCPHGPKFSA-N 1 1 342.405 4.079 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209956 1048705743 /nfs/dbraw/zinc/70/57/43/1048705743.db2.gz XPDNPWGNEHAHCL-YCPHGPKFSA-N 1 1 342.405 4.079 20 10 EICDMO CC[C@@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1ccc(F)cc1O ZINC000810253139 1048728618 /nfs/dbraw/zinc/72/86/18/1048728618.db2.gz MQOXKNKIKRCGLJ-CRAIPNDOSA-N 1 1 335.444 4.122 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000816483774 1048811846 /nfs/dbraw/zinc/81/18/46/1048811846.db2.gz DNWHVAFJUCLHPE-LJQANCHMSA-N 1 1 349.833 4.130 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000816483137 1048811899 /nfs/dbraw/zinc/81/18/99/1048811899.db2.gz HAEPTXJBZIDWTG-UHFFFAOYSA-N 1 1 349.833 4.366 20 10 EICDMO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816482564 1048812189 /nfs/dbraw/zinc/81/21/89/1048812189.db2.gz KOWUQDSPZQZMHN-UHFFFAOYSA-N 1 1 345.805 4.002 20 10 EICDMO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC001144717459 1048819128 /nfs/dbraw/zinc/81/91/28/1048819128.db2.gz SFWGDGAGKLLQCH-UHFFFAOYSA-N 1 1 345.446 4.227 20 10 EICDMO COc1ccc2c(c1)c1c(n2C)CC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC001144717459 1048819131 /nfs/dbraw/zinc/81/91/31/1048819131.db2.gz SFWGDGAGKLLQCH-UHFFFAOYSA-N 1 1 345.446 4.227 20 10 EICDMO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2cc(Cl)c(F)cc2O)s1 ZINC000816506619 1048823306 /nfs/dbraw/zinc/82/33/06/1048823306.db2.gz IIXPBMKOBMBFIX-VIFPVBQESA-N 1 1 328.840 4.451 20 10 EICDMO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2cc(Cl)c(F)cc2O)s1 ZINC000816506619 1048823309 /nfs/dbraw/zinc/82/33/09/1048823309.db2.gz IIXPBMKOBMBFIX-VIFPVBQESA-N 1 1 328.840 4.451 20 10 EICDMO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc2ccccc2c1O ZINC000816516010 1048824290 /nfs/dbraw/zinc/82/42/90/1048824290.db2.gz SCCVUTAJUPMCPK-FQEVSTJZSA-N 1 1 335.447 4.319 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000816546354 1048827782 /nfs/dbraw/zinc/82/77/82/1048827782.db2.gz HRYCJLLSHZTLCE-IBGZPJMESA-N 1 1 345.801 4.161 20 10 EICDMO COc1cccc(Cl)c1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816590819 1048832149 /nfs/dbraw/zinc/83/21/49/1048832149.db2.gz MQDVMKBEMWQEAK-UHFFFAOYSA-N 1 1 330.186 4.137 20 10 EICDMO COc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1Cl ZINC000816558448 1048834021 /nfs/dbraw/zinc/83/40/21/1048834021.db2.gz ZCILIKSDMCVIOV-UHFFFAOYSA-N 1 1 330.186 4.137 20 10 EICDMO CCOCCC1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCCC1 ZINC000816556291 1048834246 /nfs/dbraw/zinc/83/42/46/1048834246.db2.gz FIEOENBBVVIIMN-UHFFFAOYSA-N 1 1 329.843 4.261 20 10 EICDMO COc1cc(C[NH2+]Cc2cc(Cl)c(F)cc2O)c2ccccc2n1 ZINC000816554324 1048834391 /nfs/dbraw/zinc/83/43/91/1048834391.db2.gz VENWRXDCKDTTDF-UHFFFAOYSA-N 1 1 346.789 4.031 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1COc2c1cccc2Cl ZINC000816557532 1048834454 /nfs/dbraw/zinc/83/44/54/1048834454.db2.gz ULESCZPCKGSQMB-ZDUSSCGKSA-N 1 1 328.170 4.061 20 10 EICDMO CCC(CC)[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000816564835 1048837370 /nfs/dbraw/zinc/83/73/70/1048837370.db2.gz RVTWKSZBIQRWST-SUMWQHHRSA-N 1 1 329.843 4.258 20 10 EICDMO CCC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H](O)c1ccccc1 ZINC000816594640 1048840274 /nfs/dbraw/zinc/84/02/74/1048840274.db2.gz KPLSCRFRJSDASW-FUHWJXTLSA-N 1 1 337.822 4.177 20 10 EICDMO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817938598 1049060855 /nfs/dbraw/zinc/06/08/55/1049060855.db2.gz ODJKGUVOGQHGJF-BEFAXECRSA-N 1 1 337.467 4.158 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccc(Br)cc1[O-] ZINC000817962548 1049070786 /nfs/dbraw/zinc/07/07/86/1049070786.db2.gz KAZMONNIHMHJKZ-NWDGAFQWSA-N 1 1 349.272 4.025 20 10 EICDMO CC[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(F)cc1O ZINC000817976455 1049075743 /nfs/dbraw/zinc/07/57/43/1049075743.db2.gz YVYXYOQLPIKYRP-IRXDYDNUSA-N 1 1 344.430 4.457 20 10 EICDMO C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(F)cc1O ZINC000817975039 1049076104 /nfs/dbraw/zinc/07/61/04/1049076104.db2.gz HZUVISYJQACGEU-BDJLRTHQSA-N 1 1 330.403 4.067 20 10 EICDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811518413 1049101896 /nfs/dbraw/zinc/10/18/96/1049101896.db2.gz JPAHZSBVCAAWGC-SFTDATJTSA-N 1 1 340.511 4.210 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000811513988 1049130218 /nfs/dbraw/zinc/13/02/18/1049130218.db2.gz YVGYIKPEVCFOGL-INIZCTEOSA-N 1 1 336.273 4.228 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000811513988 1049130228 /nfs/dbraw/zinc/13/02/28/1049130228.db2.gz YVGYIKPEVCFOGL-INIZCTEOSA-N 1 1 336.273 4.228 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171431893 1049670752 /nfs/dbraw/zinc/67/07/52/1049670752.db2.gz AQRFUZGRDKWMGC-HXUWFJFHSA-N 1 1 338.470 4.415 20 10 EICDMO Cc1cc(C)c(O)c(C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)c1 ZINC000773251617 1049671875 /nfs/dbraw/zinc/67/18/75/1049671875.db2.gz JVBWAQWTBTZCDL-UHFFFAOYSA-N 1 1 328.843 4.347 20 10 EICDMO C[N@H+](Cc1cc2c(cc1O)CCC2)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000813202100 1049705913 /nfs/dbraw/zinc/70/59/13/1049705913.db2.gz NKNVEHCPVAVIGK-UHFFFAOYSA-N 1 1 346.814 4.075 20 10 EICDMO C[N@@H+](Cc1cc2c(cc1O)CCC2)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000813202100 1049705922 /nfs/dbraw/zinc/70/59/22/1049705922.db2.gz NKNVEHCPVAVIGK-UHFFFAOYSA-N 1 1 346.814 4.075 20 10 EICDMO COc1ccc(O)c([C@H](C)NC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)c1 ZINC000813331417 1049752492 /nfs/dbraw/zinc/75/24/92/1049752492.db2.gz ONUFDYVGTLVIEY-RYRKJORJSA-N 1 1 346.515 4.095 20 10 EICDMO Cc1cc(Cl)cc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1O ZINC000822530341 1049767876 /nfs/dbraw/zinc/76/78/76/1049767876.db2.gz YDKFKAKVHXBDPP-GOSISDBHSA-N 1 1 335.875 4.135 20 10 EICDMO CCOC(=O)C1(C)CCC([N@@H+](CC)Cc2ccc(N(C)C)cc2)CC1 ZINC001171957612 1049822695 /nfs/dbraw/zinc/82/26/95/1049822695.db2.gz WNRWLYAEXKRECB-UHFFFAOYSA-N 1 1 346.515 4.087 20 10 EICDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C3CC3)cc2F)c1 ZINC000813875055 1049829820 /nfs/dbraw/zinc/82/98/20/1049829820.db2.gz KKFXOSHZYFBOCG-GFCCVEGCSA-N 1 1 343.398 4.046 20 10 EICDMO CC(C)N1CCC([NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000180403662 1049889627 /nfs/dbraw/zinc/88/96/27/1049889627.db2.gz RJANWXPUFFNJLK-SFHVURJKSA-N 1 1 329.532 4.200 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2ccc(F)cc2F)c1 ZINC001177541984 1050248996 /nfs/dbraw/zinc/24/89/96/1050248996.db2.gz HZUYJMXKULDXFC-UHFFFAOYSA-N 1 1 342.183 4.031 20 10 EICDMO CC[C@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)c1ccccc1OC ZINC000775075759 1050458551 /nfs/dbraw/zinc/45/85/51/1050458551.db2.gz CPMFBDKJZHYOLN-KRWDZBQOSA-N 1 1 347.842 4.498 20 10 EICDMO CCN(C)c1ccc(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000773756257 1050502106 /nfs/dbraw/zinc/50/21/06/1050502106.db2.gz VFEYFBXBPMHGHT-FYSMJZIKSA-N 1 1 344.524 4.073 20 10 EICDMO CC[C@H]([NH2+]Cc1cc(C)cc(Br)c1O)[C@@H]1CC1(C)C ZINC001178978213 1050591775 /nfs/dbraw/zinc/59/17/75/1050591775.db2.gz VJACBSHRYCFYAX-JSGCOSHPSA-N 1 1 326.278 4.377 20 10 EICDMO CN(C)c1ccc(/C=C\CNC[C@@H]2CC[N@@H+]2C2CCCCCC2)cc1 ZINC001179386099 1050686837 /nfs/dbraw/zinc/68/68/37/1050686837.db2.gz HJWMHLHTIQSRMQ-RHVSLNNASA-N 1 1 341.543 4.153 20 10 EICDMO CN(C)c1ccc(/C=C\CNC[C@@H]2CC[N@H+]2C2CCCCCC2)cc1 ZINC001179386099 1050686851 /nfs/dbraw/zinc/68/68/51/1050686851.db2.gz HJWMHLHTIQSRMQ-RHVSLNNASA-N 1 1 341.543 4.153 20 10 EICDMO CCc1cccc(C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)c1O ZINC001179849450 1050795951 /nfs/dbraw/zinc/79/59/51/1050795951.db2.gz DXYIVUROARMZOR-OAQYLSRUSA-N 1 1 339.479 4.217 20 10 EICDMO Cc1cc(C[N@H+](Cc2ccco2)Cc2ccccc2O)cnc1F ZINC001179850111 1050800457 /nfs/dbraw/zinc/80/04/57/1050800457.db2.gz QAHMJUODGJVFFJ-UHFFFAOYSA-N 1 1 326.371 4.030 20 10 EICDMO Cc1cc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)cnc1F ZINC001179850111 1050800463 /nfs/dbraw/zinc/80/04/63/1050800463.db2.gz QAHMJUODGJVFFJ-UHFFFAOYSA-N 1 1 326.371 4.030 20 10 EICDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(Cl)cc2O)C1 ZINC001180029649 1050856689 /nfs/dbraw/zinc/85/66/89/1050856689.db2.gz DLXYZLCNKWAMSQ-HOTGVXAUSA-N 1 1 336.907 4.132 20 10 EICDMO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccc(C)cc1O ZINC001180067907 1050873066 /nfs/dbraw/zinc/87/30/66/1050873066.db2.gz HGBJDWKQRPXBGM-LJQANCHMSA-N 1 1 335.451 4.407 20 10 EICDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCOCC23CCC3)cc1 ZINC001180203041 1050913770 /nfs/dbraw/zinc/91/37/70/1050913770.db2.gz HWHUFPBVTBREQN-UHFFFAOYSA-N 1 1 342.508 4.139 20 10 EICDMO Cc1cc(O)c(C[N@H+](C)Cc2nc3c(s2)CCCC3)cc1Cl ZINC001180267573 1050941441 /nfs/dbraw/zinc/94/14/41/1050941441.db2.gz YBLCTVSEOINNCX-UHFFFAOYSA-N 1 1 336.888 4.321 20 10 EICDMO Cc1cc(O)c(C[N@@H+](C)Cc2nc3c(s2)CCCC3)cc1Cl ZINC001180267573 1050941450 /nfs/dbraw/zinc/94/14/50/1050941450.db2.gz YBLCTVSEOINNCX-UHFFFAOYSA-N 1 1 336.888 4.321 20 10 EICDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@H](COc3ccccc3)C2)cc1 ZINC001180318143 1050949246 /nfs/dbraw/zinc/94/92/46/1050949246.db2.gz XIYCVTLKLYVQRB-ROUKRRSUSA-N 1 1 336.479 4.167 20 10 EICDMO C[C@H]1Cc2cc(C[N@@H+](Cc3ccc(N(C)C)cc3)C3CC3)ccc2O1 ZINC001180557717 1051035031 /nfs/dbraw/zinc/03/50/31/1051035031.db2.gz GBHPNOLNXAPISE-INIZCTEOSA-N 1 1 336.479 4.241 20 10 EICDMO C[C@H]([NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C)c1ccccc1O ZINC000183563098 1051168687 /nfs/dbraw/zinc/16/86/87/1051168687.db2.gz LGPHDRHNUYFWMY-KURKYZTESA-N 1 1 338.495 4.199 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c(Cl)c1 ZINC001181729152 1051287879 /nfs/dbraw/zinc/28/78/79/1051287879.db2.gz KPNKRJDFPKMJQP-KGLIPLIRSA-N 1 1 334.674 4.370 20 10 EICDMO CCC[N@@H+](Cc1ccc(N(C)CC)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC001191174013 1051375191 /nfs/dbraw/zinc/37/51/91/1051375191.db2.gz MSZDVHZEXIPMAW-VAMGGRTRSA-N 1 1 330.516 4.168 20 10 EICDMO Oc1cc(F)c(F)cc1C[NH2+]CCOc1ccc(Cl)c(Cl)c1 ZINC001182070806 1051390161 /nfs/dbraw/zinc/39/01/61/1051390161.db2.gz CYBRIXUMBILFCQ-UHFFFAOYSA-N 1 1 348.176 4.146 20 10 EICDMO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC001191276943 1051414978 /nfs/dbraw/zinc/41/49/78/1051414978.db2.gz HMSUJHLPSRUFCP-GOSISDBHSA-N 1 1 329.415 4.187 20 10 EICDMO CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC001191276943 1051414980 /nfs/dbraw/zinc/41/49/80/1051414980.db2.gz HMSUJHLPSRUFCP-GOSISDBHSA-N 1 1 329.415 4.187 20 10 EICDMO CCC[N@@H+](Cc1ccn(CCc2ccccc2)n1)Cc1ccccc1O ZINC001191288102 1051417411 /nfs/dbraw/zinc/41/74/11/1051417411.db2.gz CFEQISCWBBEBSV-UHFFFAOYSA-N 1 1 349.478 4.244 20 10 EICDMO C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1cc(Cl)c(Cl)cc1O ZINC000774120889 1051464993 /nfs/dbraw/zinc/46/49/93/1051464993.db2.gz VZTDCZPYYAOUJL-HZMBPMFUSA-N 1 1 343.254 4.246 20 10 EICDMO CCOC[C@@H]1CCCC[N@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001182286810 1051469301 /nfs/dbraw/zinc/46/93/01/1051469301.db2.gz YOCXZESDBFGZED-INIZCTEOSA-N 1 1 335.488 4.089 20 10 EICDMO Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774207361 1051501827 /nfs/dbraw/zinc/50/18/27/1051501827.db2.gz JIONZLBDKKCLJC-MEDUHNTESA-N 1 1 340.250 4.392 20 10 EICDMO Cc1cnccc1CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774266882 1051535811 /nfs/dbraw/zinc/53/58/11/1051535811.db2.gz SALVLRLHDUZRNA-NSHDSACASA-N 1 1 325.239 4.296 20 10 EICDMO C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1cc(Cl)c(Cl)cc1O ZINC000774356168 1051575111 /nfs/dbraw/zinc/57/51/11/1051575111.db2.gz NUOZDDIVEJZOEX-OQPBUACISA-N 1 1 332.252 4.145 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccccc2)o1)c1ccc(N(C)C)cc1 ZINC000774482077 1051610029 /nfs/dbraw/zinc/61/00/29/1051610029.db2.gz FKBFTMBLECYUAQ-CABCVRRESA-N 1 1 336.439 4.214 20 10 EICDMO CCc1csc(CC2CC[NH+](Cc3cccc(F)c3O)CC2)n1 ZINC001182634849 1051654478 /nfs/dbraw/zinc/65/44/78/1051654478.db2.gz RAAMHRYRPSKABP-UHFFFAOYSA-N 1 1 334.460 4.005 20 10 EICDMO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001182754778 1051682661 /nfs/dbraw/zinc/68/26/61/1051682661.db2.gz ORMXVVSSBQNHAS-HNNXBMFYSA-N 1 1 335.488 4.088 20 10 EICDMO COc1ccc(N(C)CC[N@@H+](C)C[C@H](C)c2cc(F)cc(F)c2)cc1 ZINC001182725021 1051689414 /nfs/dbraw/zinc/68/94/14/1051689414.db2.gz DVRNNHNIYFGADS-HNNXBMFYSA-N 1 1 348.437 4.145 20 10 EICDMO Cc1cc([C@H]2CC[N@H+](Cc3cccc(F)c3O)C2)c(O)cc1Cl ZINC001183026105 1051773557 /nfs/dbraw/zinc/77/35/57/1051773557.db2.gz WXOHLSIEQLOECC-LBPRGKRZSA-N 1 1 335.806 4.188 20 10 EICDMO Cc1cc([C@H]2CC[N@@H+](Cc3cccc(F)c3O)C2)c(O)cc1Cl ZINC001183026105 1051773564 /nfs/dbraw/zinc/77/35/64/1051773564.db2.gz WXOHLSIEQLOECC-LBPRGKRZSA-N 1 1 335.806 4.188 20 10 EICDMO Cc1cc(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)ccc1N(C)C ZINC001193012431 1051853822 /nfs/dbraw/zinc/85/38/22/1051853822.db2.gz ROJLEYIKMCCNNG-IBGZPJMESA-N 1 1 348.494 4.075 20 10 EICDMO CCCC[N@H+](Cc1ccccc1O)[C@@H](C(=O)OC)c1ccccc1C ZINC001193840018 1051997279 /nfs/dbraw/zinc/99/72/79/1051997279.db2.gz VOQWHSSSRFJLRV-HXUWFJFHSA-N 1 1 341.451 4.217 20 10 EICDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C(=O)OC)c1ccccc1C ZINC001193840018 1051997293 /nfs/dbraw/zinc/99/72/93/1051997293.db2.gz VOQWHSSSRFJLRV-HXUWFJFHSA-N 1 1 341.451 4.217 20 10 EICDMO COc1cccc(C[N@@H+](C)CCc2ccc(C(F)(F)F)cc2)c1O ZINC001203602396 1052129954 /nfs/dbraw/zinc/12/99/54/1052129954.db2.gz UFQHUVNNBOJZGV-UHFFFAOYSA-N 1 1 339.357 4.094 20 10 EICDMO CC[C@@H](C)[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774818261 1052168043 /nfs/dbraw/zinc/16/80/43/1052168043.db2.gz DCAZGGZCCTXSPD-CQSZACIVSA-N 1 1 344.411 4.110 20 10 EICDMO CC[C@@H](C)[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774818261 1052168049 /nfs/dbraw/zinc/16/80/49/1052168049.db2.gz DCAZGGZCCTXSPD-CQSZACIVSA-N 1 1 344.411 4.110 20 10 EICDMO CCOc1ccc(CC[N@@H+](C)Cc2ccc(N(C)CC)cc2)cc1 ZINC001176833383 1052198165 /nfs/dbraw/zinc/19/81/65/1052198165.db2.gz VPIBWLHRBPCDIU-UHFFFAOYSA-N 1 1 326.484 4.216 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)cc1C(C)C ZINC000184809167 1052233485 /nfs/dbraw/zinc/23/34/85/1052233485.db2.gz TZVSQEGZCUDRIL-JOCHJYFZSA-N 1 1 337.463 4.455 20 10 EICDMO COc1c([O-])c(C[N@@H+](C)[C@@H](c2ccccc2)C(C)C)ccc1[N+](=O)[O-] ZINC000774885171 1052252383 /nfs/dbraw/zinc/25/23/83/1052252383.db2.gz JCYGDRNDIFAMBE-QGZVFWFLSA-N 1 1 344.411 4.138 20 10 EICDMO COc1c(O)c(C[N@H+](C)[C@@H](c2ccccc2)C(C)C)ccc1[N+](=O)[O-] ZINC000774885171 1052252389 /nfs/dbraw/zinc/25/23/89/1052252389.db2.gz JCYGDRNDIFAMBE-QGZVFWFLSA-N 1 1 344.411 4.138 20 10 EICDMO COc1c(O)c(C[N@@H+](C)[C@@H](c2ccccc2)C(C)C)ccc1[N+](=O)[O-] ZINC000774885171 1052252395 /nfs/dbraw/zinc/25/23/95/1052252395.db2.gz JCYGDRNDIFAMBE-QGZVFWFLSA-N 1 1 344.411 4.138 20 10 EICDMO C[C@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(F)cc1O ZINC000185592702 1052651537 /nfs/dbraw/zinc/65/15/37/1052651537.db2.gz FQZDEPAPRSSZBY-ZDUSSCGKSA-N 1 1 345.414 4.337 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)c1ccc(F)cc1O ZINC000185616477 1052662130 /nfs/dbraw/zinc/66/21/30/1052662130.db2.gz RCLNTUGVWLUSKX-UONOGXRCSA-N 1 1 325.387 4.129 20 10 EICDMO C[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C[NH+]1CCCCC1 ZINC000325126357 1052985045 /nfs/dbraw/zinc/98/50/45/1052985045.db2.gz DAYPZMLTPZFYMW-IRXDYDNUSA-N 1 1 326.484 4.318 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCc2ccccc21 ZINC000764142637 1053034336 /nfs/dbraw/zinc/03/43/36/1053034336.db2.gz IUTVYQGRNBBMCH-JOCHJYFZSA-N 1 1 336.479 4.033 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@](C)(O)c1ccccc1 ZINC000764140458 1053034866 /nfs/dbraw/zinc/03/48/66/1053034866.db2.gz GYNZUQFHATUKGN-QFIPXVFZSA-N 1 1 338.495 4.016 20 10 EICDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000794654953 1053251221 /nfs/dbraw/zinc/25/12/21/1053251221.db2.gz DQRMHMNMLDDWQR-GXFFZTMASA-N 1 1 331.378 4.168 20 10 EICDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cc3cc(C)ccc3o2)c1 ZINC000850531221 1053292760 /nfs/dbraw/zinc/29/27/60/1053292760.db2.gz HZTQHJZYNYKJHU-CYBMUJFWSA-N 1 1 339.391 4.084 20 10 EICDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@H]2c2ccccn2)c1O ZINC000775650403 1053367570 /nfs/dbraw/zinc/36/75/70/1053367570.db2.gz BSWADOBMNDWACB-INIZCTEOSA-N 1 1 347.256 4.195 20 10 EICDMO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000775659344 1053417491 /nfs/dbraw/zinc/41/74/91/1053417491.db2.gz WCJOMQDYHRRKPV-IOASZLSFSA-N 1 1 340.870 4.022 20 10 EICDMO COc1ccc(O)c(C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)c1 ZINC000775659028 1053419562 /nfs/dbraw/zinc/41/95/62/1053419562.db2.gz UCAKKYXUHYKUBK-UHFFFAOYSA-N 1 1 325.330 4.052 20 10 EICDMO C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC000775665171 1053443158 /nfs/dbraw/zinc/44/31/58/1053443158.db2.gz ZQMMMJVXZFRXDK-HOTGVXAUSA-N 1 1 336.907 4.132 20 10 EICDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC000775665171 1053443165 /nfs/dbraw/zinc/44/31/65/1053443165.db2.gz ZQMMMJVXZFRXDK-HOTGVXAUSA-N 1 1 336.907 4.132 20 10 EICDMO C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000775665171 1053443172 /nfs/dbraw/zinc/44/31/72/1053443172.db2.gz ZQMMMJVXZFRXDK-HOTGVXAUSA-N 1 1 336.907 4.132 20 10 EICDMO C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000775665171 1053443175 /nfs/dbraw/zinc/44/31/75/1053443175.db2.gz ZQMMMJVXZFRXDK-HOTGVXAUSA-N 1 1 336.907 4.132 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)CC(=O)Nc1ccccc1 ZINC000775667583 1053459438 /nfs/dbraw/zinc/45/94/38/1053459438.db2.gz LPSKBRNIWYLYDA-MRXNPFEDSA-N 1 1 326.440 4.022 20 10 EICDMO C[C@H]([NH2+]C1CC(N2CCCCC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000794839056 1053514453 /nfs/dbraw/zinc/51/44/53/1053514453.db2.gz YHXOIAOSQGPFLH-NLMOZGTASA-N 1 1 341.543 4.344 20 10 EICDMO [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000775679251 1053554425 /nfs/dbraw/zinc/55/44/25/1053554425.db2.gz SCKTWEBHJXDOJB-MRXNPFEDSA-N 1 1 336.907 4.134 20 10 EICDMO COc1ccc(O)c(C[N@H+]2CCCC[C@H]2c2ccccc2OC)c1 ZINC000775682500 1053558041 /nfs/dbraw/zinc/55/80/41/1053558041.db2.gz ZHLNGLOTJCOAAE-SFHVURJKSA-N 1 1 327.424 4.137 20 10 EICDMO COc1ccc(O)c(C[N@@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000775705254 1053627474 /nfs/dbraw/zinc/62/74/74/1053627474.db2.gz HTUSVZXAGJFOGN-QGZVFWFLSA-N 1 1 349.883 4.344 20 10 EICDMO COc1ccc(O)c(C[N@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000775705254 1053627480 /nfs/dbraw/zinc/62/74/80/1053627480.db2.gz HTUSVZXAGJFOGN-QGZVFWFLSA-N 1 1 349.883 4.344 20 10 EICDMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2cccc(OC)c2O)cc1 ZINC000120877252 1053632771 /nfs/dbraw/zinc/63/27/71/1053632771.db2.gz BRWFDIOAKRDDNQ-GOSISDBHSA-N 1 1 327.424 4.137 20 10 EICDMO C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc2ccccc2c1[O-] ZINC000853240638 1053657450 /nfs/dbraw/zinc/65/74/50/1053657450.db2.gz PTGKTYFXBASQFC-AEFFLSMTSA-N 1 1 338.495 4.318 20 10 EICDMO C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2ccccc2c1[O-] ZINC000853240638 1053657453 /nfs/dbraw/zinc/65/74/53/1053657453.db2.gz PTGKTYFXBASQFC-AEFFLSMTSA-N 1 1 338.495 4.318 20 10 EICDMO COc1cc(O)c(C[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)cc1OC ZINC000853539100 1053685559 /nfs/dbraw/zinc/68/55/59/1053685559.db2.gz NDZDSUDZZAUYBI-LJQANCHMSA-N 1 1 343.423 4.120 20 10 EICDMO COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3o2)c1 ZINC000775727778 1053708895 /nfs/dbraw/zinc/70/88/95/1053708895.db2.gz KOLOICNERLELDA-QGZVFWFLSA-N 1 1 338.407 4.269 20 10 EICDMO CCN(C)c1ccc(C[N@@H+]2CCc3nc[nH]c3[C@@H]2c2ccccc2)cc1 ZINC001197978771 1054047903 /nfs/dbraw/zinc/04/79/03/1054047903.db2.gz LJFXSXWQGFMTGA-QFIPXVFZSA-N 1 1 346.478 4.014 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2CCc3nc[nH]c3[C@@H]2c2ccccc2)cc1 ZINC001197978771 1054047913 /nfs/dbraw/zinc/04/79/13/1054047913.db2.gz LJFXSXWQGFMTGA-QFIPXVFZSA-N 1 1 346.478 4.014 20 10 EICDMO C[C@H]([NH2+]Cc1ncc(-c2ccccc2F)o1)c1ccc(N(C)C)cc1 ZINC000775833020 1054110594 /nfs/dbraw/zinc/11/05/94/1054110594.db2.gz FVIORQHBFFIKBZ-AWEZNQCLSA-N 1 1 339.414 4.398 20 10 EICDMO CC[NH+](CC)[C@@H](CNCc1c(C)c2ccccc2n1C)CC(C)C ZINC001199161112 1054354621 /nfs/dbraw/zinc/35/46/21/1054354621.db2.gz GUVZWSZSYPMHQD-GOSISDBHSA-N 1 1 329.532 4.333 20 10 EICDMO Cc1cccc(C[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1O ZINC000858010338 1054395641 /nfs/dbraw/zinc/39/56/41/1054395641.db2.gz GWBRFGSCXBEHEM-LJQANCHMSA-N 1 1 338.451 4.016 20 10 EICDMO COc1ccc(N2CCC(Nc3[nH+]ccc4ccccc43)CC2)cc1 ZINC000858386755 1054478895 /nfs/dbraw/zinc/47/88/95/1054478895.db2.gz UQFULXFYTGPDSZ-UHFFFAOYSA-N 1 1 333.435 4.324 20 10 EICDMO C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000858490689 1054498398 /nfs/dbraw/zinc/49/83/98/1054498398.db2.gz LVGFHFKAJHLFLV-VXGBXAGGSA-N 1 1 331.287 4.082 20 10 EICDMO C[C@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)c1ccns1 ZINC000858576491 1054522064 /nfs/dbraw/zinc/52/20/64/1054522064.db2.gz LGSOMSXDFUAUGS-YUMQZZPRSA-N 1 1 345.237 4.162 20 10 EICDMO CC(C)([NH2+]Cc1cccc(Br)c1O)c1cccc(F)c1 ZINC000124664098 1054592307 /nfs/dbraw/zinc/59/23/07/1054592307.db2.gz NEUTYIATAPOIPH-UHFFFAOYSA-N 1 1 338.220 4.319 20 10 EICDMO Cc1c2ccccc2n(C)c1C[NH2+]Cc1csc(-c2ccco2)n1 ZINC001201017872 1054609106 /nfs/dbraw/zinc/60/91/06/1054609106.db2.gz YVUBKCVBBYFLJE-UHFFFAOYSA-N 1 1 337.448 4.493 20 10 EICDMO COC(=O)CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000859219218 1054643385 /nfs/dbraw/zinc/64/33/85/1054643385.db2.gz SBHZMDKHBGHMHL-KRWDZBQOSA-N 1 1 341.451 4.299 20 10 EICDMO Cc1cc(Br)ccc1CNc1ccc2c(c1)[nH+]cn2C ZINC001201114553 1054666038 /nfs/dbraw/zinc/66/60/38/1054666038.db2.gz IMYQMUODGSTOJG-UHFFFAOYSA-N 1 1 330.229 4.256 20 10 EICDMO CC(C)=CCC[C@H](C)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001201491486 1054819064 /nfs/dbraw/zinc/81/90/64/1054819064.db2.gz SHOHWMFIHLZEAS-IBGZPJMESA-N 1 1 330.516 4.338 20 10 EICDMO CC(C)Nc1ccc(Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001201497498 1054820817 /nfs/dbraw/zinc/82/08/17/1054820817.db2.gz GLSRQPVWWPNTRA-UHFFFAOYSA-N 1 1 325.456 4.083 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H](C)c2ccccc2)c1 ZINC001201930081 1054942985 /nfs/dbraw/zinc/94/29/85/1054942985.db2.gz UUYCNPQENDGENC-CYBMUJFWSA-N 1 1 334.257 4.356 20 10 EICDMO CC[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(Br)cc1O ZINC000825935149 1055024655 /nfs/dbraw/zinc/02/46/55/1055024655.db2.gz NWHKJDPYCIZDQM-OAHLLOKOSA-N 1 1 335.245 4.133 20 10 EICDMO Cc1c2ccccc2n(C)c1C[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC001202278496 1055121826 /nfs/dbraw/zinc/12/18/26/1055121826.db2.gz DMENDIRMGZZXBP-UHFFFAOYSA-N 1 1 336.332 4.333 20 10 EICDMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccc(C(F)(F)F)nc1 ZINC000877827746 1055130074 /nfs/dbraw/zinc/13/00/74/1055130074.db2.gz NQSGBBRJARHWGX-MRVPVSSYSA-N 1 1 348.727 4.449 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1nc2c(o1)CCCC2)C1CCCC1 ZINC000878102675 1055187720 /nfs/dbraw/zinc/18/77/20/1055187720.db2.gz CUUZAGOWPUUWCC-UHFFFAOYSA-N 1 1 326.440 4.204 20 10 EICDMO CN(C)c1ccc(C[N@H+](Cc2nc3c(s2)CCCC3)C2CC2)cc1 ZINC000776353549 1055217543 /nfs/dbraw/zinc/21/75/43/1055217543.db2.gz OSNOCAVYVNXVQB-UHFFFAOYSA-N 1 1 341.524 4.253 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2nc3c(s2)CCCC3)C2CC2)cc1 ZINC000776353549 1055217564 /nfs/dbraw/zinc/21/75/64/1055217564.db2.gz OSNOCAVYVNXVQB-UHFFFAOYSA-N 1 1 341.524 4.253 20 10 EICDMO CC(C)c1nc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)cs1 ZINC000186297941 1055332026 /nfs/dbraw/zinc/33/20/26/1055332026.db2.gz AAOQEQFKAMRNIN-AWEZNQCLSA-N 1 1 329.513 4.500 20 10 EICDMO COc1ccc(O)c([C@@H](C)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)c1 ZINC000186492236 1056561063 /nfs/dbraw/zinc/56/10/63/1056561063.db2.gz MMSOMJLBGVAGGA-GFCCVEGCSA-N 1 1 337.423 4.338 20 10 EICDMO CCC[N@H+](C)C[C@H]1CCN(Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000743390210 1058967347 /nfs/dbraw/zinc/96/73/47/1058967347.db2.gz OKDUXVDHIVCRDD-QGZVFWFLSA-N 1 1 332.532 4.162 20 10 EICDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000743390210 1058967369 /nfs/dbraw/zinc/96/73/69/1058967369.db2.gz OKDUXVDHIVCRDD-QGZVFWFLSA-N 1 1 332.532 4.162 20 10 EICDMO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000743390208 1058969050 /nfs/dbraw/zinc/96/90/50/1058969050.db2.gz OKDUXVDHIVCRDD-KRWDZBQOSA-N 1 1 332.532 4.162 20 10 EICDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000743390208 1058969077 /nfs/dbraw/zinc/96/90/77/1058969077.db2.gz OKDUXVDHIVCRDD-KRWDZBQOSA-N 1 1 332.532 4.162 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CCC3(C1)CCOCC3)oc1ccccc12 ZINC000743404771 1058989104 /nfs/dbraw/zinc/98/91/04/1058989104.db2.gz CBIWHHDCODFBFG-UHFFFAOYSA-N 1 1 337.419 4.294 20 10 EICDMO CCCN(CCC)c1ccc(CNC2CC[NH+](CCC)CC2)cc1 ZINC000743759843 1059101661 /nfs/dbraw/zinc/10/16/61/1059101661.db2.gz UHMWMQUAMYGIRX-UHFFFAOYSA-N 1 1 331.548 4.277 20 10 EICDMO CCCN(CCC)c1ccc(C[NH2+]C2CCN(CCC)CC2)cc1 ZINC000743759843 1059101701 /nfs/dbraw/zinc/10/17/01/1059101701.db2.gz UHMWMQUAMYGIRX-UHFFFAOYSA-N 1 1 331.548 4.277 20 10 EICDMO CCC[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)Cc1ccccc1O ZINC000743870555 1059190018 /nfs/dbraw/zinc/19/00/18/1059190018.db2.gz XHMQKUIXBMSPMH-UHFFFAOYSA-N 1 1 333.815 4.187 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000743870224 1059191413 /nfs/dbraw/zinc/19/14/13/1059191413.db2.gz MBWHMHUKGOHSHO-KRWDZBQOSA-N 1 1 340.467 4.248 20 10 EICDMO CCC[N@@H+](CCOc1ccccc1OCC)Cc1ccccc1O ZINC000743869825 1059191589 /nfs/dbraw/zinc/19/15/89/1059191589.db2.gz BRQYLXIWYUDQGR-UHFFFAOYSA-N 1 1 329.440 4.082 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000743870175 1059192652 /nfs/dbraw/zinc/19/26/52/1059192652.db2.gz KJJBMVCBOONZAG-AWEZNQCLSA-N 1 1 346.858 4.285 20 10 EICDMO CC(C)[NH+](CCCNCc1ccc(N2CCCCC2)cc1)C(C)C ZINC000746053952 1059994746 /nfs/dbraw/zinc/99/47/46/1059994746.db2.gz VPOLWSWMTZYJQN-UHFFFAOYSA-N 1 1 331.548 4.275 20 10 EICDMO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(N2CCCCC2)cc1 ZINC000766476384 1060386037 /nfs/dbraw/zinc/38/60/37/1060386037.db2.gz XVZJYNVSAGCNCE-DSKINZAPSA-N 1 1 329.532 4.200 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1ccc2cc[nH]c2c1)C[C@H]1CCCO1 ZINC000529516341 1032414589 /nfs/dbraw/zinc/41/45/89/1032414589.db2.gz IRQVCEVDBZBSRZ-LJQANCHMSA-N 1 1 336.435 4.055 20 10 EICDMO COc1cccc(C[N@H+](Cc2cc(OC)ccc2O)CC(C)C)c1 ZINC001204696642 1032608835 /nfs/dbraw/zinc/60/88/35/1032608835.db2.gz DJJZIKDNBWGLDY-UHFFFAOYSA-N 1 1 329.440 4.068 20 10 EICDMO CC[C@H]([NH2+][C@@H](c1nccn1C)c1ccc(F)cc1)c1ccccc1O ZINC000155044646 1020204731 /nfs/dbraw/zinc/20/47/31/1020204731.db2.gz OUIDWRALMPNBMX-PKOBYXMFSA-N 1 1 339.414 4.095 20 10 EICDMO Cc1scc(C[NH2+]Cc2cccc(Br)c2O)c1C ZINC000399872654 1032895494 /nfs/dbraw/zinc/89/54/94/1032895494.db2.gz WCRGEPWYEGPEKK-UHFFFAOYSA-N 1 1 326.259 4.123 20 10 EICDMO Cc1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)ccc1N(C)C ZINC001167722499 1022034132 /nfs/dbraw/zinc/03/41/32/1022034132.db2.gz VVVDOLFQKFIBQE-SFHVURJKSA-N 1 1 348.494 4.317 20 10 EICDMO Cc1ccc([C@@H](C)[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)c(O)c1 ZINC000363856763 1022860744 /nfs/dbraw/zinc/86/07/44/1022860744.db2.gz BSSWIQBKFFSWNZ-JLTOFOAXSA-N 1 1 339.414 4.013 20 10 EICDMO Cc1ccc(-c2nc(CC[NH2+][C@@H](C)c3ccc(F)cc3O)co2)cc1 ZINC000185304144 1023029185 /nfs/dbraw/zinc/02/91/85/1023029185.db2.gz ZEUKBSQLXWXHSC-AWEZNQCLSA-N 1 1 340.398 4.388 20 10 EICDMO CSCC[C@@H](C)[N@H+](C)Cc1cc(C)cc(Br)c1O ZINC000781908432 1023505520 /nfs/dbraw/zinc/50/55/20/1023505520.db2.gz IWCVHFZCUJQWJW-LLVKDONJSA-N 1 1 332.307 4.037 20 10 EICDMO CSCC[C@@H](C)[N@@H+](C)Cc1cc(C)cc(Br)c1O ZINC000781908432 1023505526 /nfs/dbraw/zinc/50/55/26/1023505526.db2.gz IWCVHFZCUJQWJW-LLVKDONJSA-N 1 1 332.307 4.037 20 10 EICDMO C[C@@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)c1ccc(F)cc1O ZINC000377739875 1023733524 /nfs/dbraw/zinc/73/35/24/1023733524.db2.gz BZXPQDOBQXRFNZ-VLIAUNLRSA-N 1 1 341.426 4.276 20 10 EICDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1O)[C@H](C)c1cccc(OC)c1 ZINC000891656493 1023853235 /nfs/dbraw/zinc/85/32/35/1023853235.db2.gz ABUYOUFMYAMUST-CQSZACIVSA-N 1 1 345.439 4.001 20 10 EICDMO Cc1cccc(C[NH2+][C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1O ZINC000276698106 1023876650 /nfs/dbraw/zinc/87/66/50/1023876650.db2.gz AVFCXTXHMUXGFN-ZDUSSCGKSA-N 1 1 341.386 4.049 20 10 EICDMO COc1cc(C)cc(C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)c1O ZINC000894589332 1026228656 /nfs/dbraw/zinc/22/86/56/1026228656.db2.gz NRUJAPZKLCVKGQ-SECBINFHSA-N 1 1 346.374 4.035 20 10 EICDMO CC[C@@H](C)Oc1cc(C[NH2+]Cc2c(O)cccc2F)ccc1OC ZINC000896639294 1027758863 /nfs/dbraw/zinc/75/88/63/1027758863.db2.gz CQITYVBUHQAPJH-CYBMUJFWSA-N 1 1 333.403 4.007 20 10 EICDMO C[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1cc(Cl)c(Cl)cc1O ZINC000278300944 1028849896 /nfs/dbraw/zinc/84/98/96/1028849896.db2.gz RVMNXORQXVCTMH-JTQLQIEISA-N 1 1 340.254 4.011 20 10 EICDMO C[C@@H]1CC([N@H+](C)Cc2ccccc2O)C[C@@H](C)N1Cc1ccccc1 ZINC001168064915 1029635503 /nfs/dbraw/zinc/63/55/03/1029635503.db2.gz SFLBKFUGQSOQTD-QZTJIDSGSA-N 1 1 338.495 4.266 20 10 EICDMO C[C@@H]1CC([N@@H+](C)Cc2ccccc2O)C[C@@H](C)N1Cc1ccccc1 ZINC001168064915 1029635504 /nfs/dbraw/zinc/63/55/04/1029635504.db2.gz SFLBKFUGQSOQTD-QZTJIDSGSA-N 1 1 338.495 4.266 20 10 EICDMO COc1ccc(N2CCCN(c3cc[nH+]c4ccsc43)CC2)cc1 ZINC000301373496 1029717959 /nfs/dbraw/zinc/71/79/59/1029717959.db2.gz QJQCVORMYXRUQA-UHFFFAOYSA-N 1 1 339.464 4.022 20 10 EICDMO Oc1c(Br)cccc1C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000725844473 1031629153 /nfs/dbraw/zinc/62/91/53/1031629153.db2.gz YUTHKRBONWLZNB-CQSZACIVSA-N 1 1 338.270 4.457 20 10 EICDMO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)c1O ZINC000761193448 1036004218 /nfs/dbraw/zinc/00/42/18/1036004218.db2.gz DOOVHAATNDVFBP-UGSOOPFHSA-N 1 1 347.842 4.016 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)c1O ZINC000761193448 1036004239 /nfs/dbraw/zinc/00/42/39/1036004239.db2.gz DOOVHAATNDVFBP-UGSOOPFHSA-N 1 1 347.842 4.016 20 10 EICDMO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2c2ccccc2OC)c1O ZINC000761194245 1036017542 /nfs/dbraw/zinc/01/75/42/1036017542.db2.gz SBVFHASMHBDMBE-INIZCTEOSA-N 1 1 347.842 4.400 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2c2cccn2C)c1O ZINC000761201563 1036026620 /nfs/dbraw/zinc/02/66/20/1036026620.db2.gz BZMWKPRPKIFAOE-INIZCTEOSA-N 1 1 334.847 4.120 20 10 EICDMO C[C@H]([NH2+]Cc1csc(N(C)C)n1)c1ccc(N2CCCCC2)cc1 ZINC000157007082 1036792949 /nfs/dbraw/zinc/79/29/49/1036792949.db2.gz DOZZFIKHNIGYCQ-HNNXBMFYSA-N 1 1 344.528 4.050 20 10 EICDMO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(F)cc1O ZINC000273438768 1037464541 /nfs/dbraw/zinc/46/45/41/1037464541.db2.gz MMDMVFSDNGYPSB-XGINMYPSSA-N 1 1 333.378 4.241 20 10 EICDMO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1O ZINC000273438766 1037464792 /nfs/dbraw/zinc/46/47/92/1037464792.db2.gz MMDMVFSDNGYPSB-MOFZMDFASA-N 1 1 333.378 4.241 20 10 EICDMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc3c(cc1O)CCC3)CCC2 ZINC000171891090 1037760563 /nfs/dbraw/zinc/76/05/63/1037760563.db2.gz OCCICXFVMYQYHB-QGZVFWFLSA-N 1 1 328.481 4.155 20 10 EICDMO CC[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1ccc(F)cc1O ZINC000287381423 1041433398 /nfs/dbraw/zinc/43/33/98/1041433398.db2.gz IFHCJMNTTNTYCC-CQSZACIVSA-N 1 1 347.821 4.312 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC001205082857 1042348699 /nfs/dbraw/zinc/34/86/99/1042348699.db2.gz RBTBFVUBDSJSLT-ZIAGYGMSSA-N 1 1 338.289 4.475 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC001205082857 1042348708 /nfs/dbraw/zinc/34/87/08/1042348708.db2.gz RBTBFVUBDSJSLT-ZIAGYGMSSA-N 1 1 338.289 4.475 20 10 EICDMO C[N@@H+](Cc1ccc(Cl)nc1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000029886163 1042429665 /nfs/dbraw/zinc/42/96/65/1042429665.db2.gz PRUHBVISIODULH-UHFFFAOYSA-N 1 1 334.847 4.076 20 10 EICDMO Cc1nc([C@H]2CCC[N@@H+]2Cc2cc(C(C)(C)C)cc(O)c2O)cs1 ZINC000186857880 1043088594 /nfs/dbraw/zinc/08/85/94/1043088594.db2.gz DNMWHOOMJIDXPS-MRXNPFEDSA-N 1 1 346.496 4.497 20 10 EICDMO Cc1nc([C@H]2CCC[N@H+]2Cc2cc(C(C)(C)C)cc(O)c2O)cs1 ZINC000186857880 1043088607 /nfs/dbraw/zinc/08/86/07/1043088607.db2.gz DNMWHOOMJIDXPS-MRXNPFEDSA-N 1 1 346.496 4.497 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1nccn1-c1ccccc1 ZINC000922127300 1043567157 /nfs/dbraw/zinc/56/71/57/1043567157.db2.gz MBVMUNQXPLPPBP-MRXNPFEDSA-N 1 1 333.435 4.048 20 10 EICDMO Cc1cccn2cc(C[N@@H+](Cc3ccccc3O)C3CCCC3)nc12 ZINC000732204620 1043887127 /nfs/dbraw/zinc/88/71/27/1043887127.db2.gz PDDOJGRYYARGEW-UHFFFAOYSA-N 1 1 335.451 4.293 20 10 EICDMO C[C@]1(c2ccccc2)CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000733300158 1044170257 /nfs/dbraw/zinc/17/02/57/1044170257.db2.gz RZLKFIMACBJLSO-QFIPXVFZSA-N 1 1 332.447 4.494 20 10 EICDMO CCc1cc(C[N@H+](C)Cc2cnn(CC)c2)c(O)c(C(C)(C)C)c1 ZINC000733790151 1044312143 /nfs/dbraw/zinc/31/21/43/1044312143.db2.gz FWQDPVHBWCAQKH-UHFFFAOYSA-N 1 1 329.488 4.101 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)c1O ZINC000766211678 1044646912 /nfs/dbraw/zinc/64/69/12/1044646912.db2.gz LXXZPKFSBAGTME-LBPRGKRZSA-N 1 1 347.842 4.017 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)c1O ZINC000766211678 1044646927 /nfs/dbraw/zinc/64/69/27/1044646927.db2.gz LXXZPKFSBAGTME-LBPRGKRZSA-N 1 1 347.842 4.017 20 10 EICDMO CN(C)CC[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(C)(C)C ZINC000734849862 1044702209 /nfs/dbraw/zinc/70/22/09/1044702209.db2.gz QMGYPXDJVAPWGI-FQEVSTJZSA-N 1 1 331.548 4.133 20 10 EICDMO Cc1cccc(C[NH2+]C2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)c1O ZINC001168031163 1044812615 /nfs/dbraw/zinc/81/26/15/1044812615.db2.gz YAWIAGUTFPNEBL-QZTJIDSGSA-N 1 1 338.495 4.232 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H](c2ccccn2)C2CC2)c1 ZINC000922584457 1044833616 /nfs/dbraw/zinc/83/36/16/1044833616.db2.gz KZNVJQPGZWGLTB-MRXNPFEDSA-N 1 1 347.256 4.099 20 10 EICDMO COC[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC000739872740 1045169008 /nfs/dbraw/zinc/16/90/08/1045169008.db2.gz ZKRQXRMTWSYIOX-OAHLLOKOSA-N 1 1 333.516 4.456 20 10 EICDMO Cc1cccc([C@H]([NH2+]Cc2ccc(N(C)C)cc2)c2ccccn2)c1 ZINC000153510612 1045174520 /nfs/dbraw/zinc/17/45/20/1045174520.db2.gz DHCDVVAMXNHKDQ-QFIPXVFZSA-N 1 1 331.463 4.335 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccc(OC(C)=O)cc2)cc1 ZINC000762629601 1045318051 /nfs/dbraw/zinc/31/80/51/1045318051.db2.gz FUXGOMCUZSRSJV-UHFFFAOYSA-N 1 1 340.467 4.090 20 10 EICDMO CCCN(CCC)c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000915682842 1045448187 /nfs/dbraw/zinc/44/81/87/1045448187.db2.gz SAVUBUVMSYZVMF-TZIWHRDSSA-N 1 1 329.532 4.029 20 10 EICDMO CCCN(CCC)c1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000915682842 1045448190 /nfs/dbraw/zinc/44/81/90/1045448190.db2.gz SAVUBUVMSYZVMF-TZIWHRDSSA-N 1 1 329.532 4.029 20 10 EICDMO CN(C)c1ccc(C[N@H+](C)Cc2nc3ccc(F)cc3s2)cc1 ZINC000762945259 1045450883 /nfs/dbraw/zinc/45/08/83/1045450883.db2.gz MJACHLOTTFIZGS-UHFFFAOYSA-N 1 1 329.444 4.133 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)Cc2nc3ccc(F)cc3s2)cc1 ZINC000762945259 1045450885 /nfs/dbraw/zinc/45/08/85/1045450885.db2.gz MJACHLOTTFIZGS-UHFFFAOYSA-N 1 1 329.444 4.133 20 10 EICDMO COc1ccc(C[N@@H+](C)Cc2cc(OC)cc(C(C)(C)C)c2O)cc1 ZINC000915801102 1045467473 /nfs/dbraw/zinc/46/74/73/1045467473.db2.gz YKKWXPJQOTVNSV-UHFFFAOYSA-N 1 1 343.467 4.339 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccccc1C(F)(F)F ZINC000790962253 1045636641 /nfs/dbraw/zinc/63/66/41/1045636641.db2.gz JLUQENPBGGXGRI-UHFFFAOYSA-N 1 1 333.712 4.493 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(OC(F)F)c(F)c2)cc1 ZINC000768129632 1045721523 /nfs/dbraw/zinc/72/15/23/1045721523.db2.gz ILXDBMLBWYBQMA-UHFFFAOYSA-N 1 1 338.373 4.125 20 10 EICDMO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000768163592 1045731974 /nfs/dbraw/zinc/73/19/74/1045731974.db2.gz ZVEQHUUYSRIBMJ-SUMDDJOVSA-N 1 1 341.451 4.290 20 10 EICDMO CCOc1ccc(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c(O)c1 ZINC000768202882 1045741137 /nfs/dbraw/zinc/74/11/37/1045741137.db2.gz CPEOFRQIMZQKAX-QGZVFWFLSA-N 1 1 347.480 4.034 20 10 EICDMO Oc1cccc(Cl)c1C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000768204203 1045744195 /nfs/dbraw/zinc/74/41/95/1045744195.db2.gz RMPUSIPPZGUQIA-CYBMUJFWSA-N 1 1 337.872 4.288 20 10 EICDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C)ccc2O)c(OC)c1 ZINC000768210657 1045744356 /nfs/dbraw/zinc/74/43/56/1045744356.db2.gz UWOCTUWZUDRPSG-SFHVURJKSA-N 1 1 327.424 4.055 20 10 EICDMO COc1cc(C)c(C[N@@H+](C)Cc2cc(Cl)ccc2O)cc1OC ZINC000768196465 1045752535 /nfs/dbraw/zinc/75/25/35/1045752535.db2.gz CZOODMXAACCYGK-UHFFFAOYSA-N 1 1 335.831 4.003 20 10 EICDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1cccc(Br)c1O ZINC000768216219 1045754278 /nfs/dbraw/zinc/75/42/78/1045754278.db2.gz RUGLXYMXFDSQFM-NSHDSACASA-N 1 1 338.220 4.487 20 10 EICDMO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1cccc(Br)c1O ZINC000768216219 1045754266 /nfs/dbraw/zinc/75/42/66/1045754266.db2.gz RUGLXYMXFDSQFM-NSHDSACASA-N 1 1 338.220 4.487 20 10 EICDMO CC(C)[NH+]1CCC([N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000768227698 1045758021 /nfs/dbraw/zinc/75/80/21/1045758021.db2.gz FEUZTEOWVMDJKU-UHFFFAOYSA-N 1 1 331.287 4.004 20 10 EICDMO c1ccc([C@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)CCO2)cc1 ZINC000768235652 1045762832 /nfs/dbraw/zinc/76/28/32/1045762832.db2.gz CJUPZNCXZCKXAJ-JOCHJYFZSA-N 1 1 336.479 4.250 20 10 EICDMO CCCn1nc(C)c(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)c1C ZINC000768258124 1045766560 /nfs/dbraw/zinc/76/65/60/1045766560.db2.gz PJJKDMCHFUQHNO-UHFFFAOYSA-N 1 1 340.515 4.141 20 10 EICDMO COc1cccc(O)c1C[N@@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000768258673 1045766785 /nfs/dbraw/zinc/76/67/85/1045766785.db2.gz VIVJIIAIIKTKCH-CJNGLKHVSA-N 1 1 327.424 4.282 20 10 EICDMO C[C@H](c1ccccc1)[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000768257706 1045768194 /nfs/dbraw/zinc/76/81/94/1045768194.db2.gz ORYJNAGXMCEWLQ-GOSISDBHSA-N 1 1 336.479 4.249 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2ncccc2C(F)(F)F)C2CC2)cc1 ZINC000768256305 1045769641 /nfs/dbraw/zinc/76/96/41/1045769641.db2.gz BLPTZTHRXXDWJS-UHFFFAOYSA-N 1 1 349.400 4.331 20 10 EICDMO C[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc(Br)ccc1O ZINC000768263883 1045772251 /nfs/dbraw/zinc/77/22/51/1045772251.db2.gz YEARYCQAPFLFPI-UHFFFAOYSA-N 1 1 342.183 4.065 20 10 EICDMO O=[N+]([O-])c1cccc(C[N@H+](Cc2cc(Cl)ccc2O)C2CC2)c1 ZINC000768334087 1045789605 /nfs/dbraw/zinc/78/96/05/1045789605.db2.gz KYNZOWWXRSBGFU-UHFFFAOYSA-N 1 1 332.787 4.118 20 10 EICDMO CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(Cl)c1 ZINC000768342961 1045792789 /nfs/dbraw/zinc/79/27/89/1045792789.db2.gz VIXINQCUVIWJLJ-UHFFFAOYSA-N 1 1 344.886 4.199 20 10 EICDMO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000768339719 1045793612 /nfs/dbraw/zinc/79/36/12/1045793612.db2.gz YHBAQYJDZVSFHC-UHFFFAOYSA-N 1 1 344.886 4.199 20 10 EICDMO CC[N@@H+](Cc1ccccc1Cl)Cc1cc(OC)c(OC)cc1O ZINC000768439857 1045807295 /nfs/dbraw/zinc/80/72/95/1045807295.db2.gz OABQQKSLWUNIDU-UHFFFAOYSA-N 1 1 335.831 4.085 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCCC[C@H]2c2ccc(C)cc2)cc1OC ZINC000768446178 1045807796 /nfs/dbraw/zinc/80/77/96/1045807796.db2.gz KKFBGEPMYTUTBL-SFHVURJKSA-N 1 1 341.451 4.445 20 10 EICDMO COc1cc(C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)c(O)cc1C ZINC000768447792 1045808584 /nfs/dbraw/zinc/80/85/84/1045808584.db2.gz PTANXUCIPRYYBI-LJQANCHMSA-N 1 1 340.467 4.112 20 10 EICDMO COc1cc(O)c(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccc(F)c2)cc1OC ZINC000768465494 1045810965 /nfs/dbraw/zinc/81/09/65/1045810965.db2.gz IEKHESKTOJGDEX-SUMWQHHRSA-N 1 1 345.414 4.132 20 10 EICDMO Oc1ccc(CNc2[nH+]ccc3ccn(Cc4ccccc4)c32)cc1O ZINC001169993061 1045813529 /nfs/dbraw/zinc/81/35/29/1045813529.db2.gz MQROYRLJUHTWQQ-UHFFFAOYSA-N 1 1 345.402 4.108 20 10 EICDMO Oc1ccc(CNc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)cc1O ZINC001169997148 1045848829 /nfs/dbraw/zinc/84/88/29/1045848829.db2.gz SOIKUHRVCHTDHE-UHFFFAOYSA-N 1 1 346.430 4.226 20 10 EICDMO CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H](C)c1ccc(F)cc1 ZINC000768910297 1045858612 /nfs/dbraw/zinc/85/86/12/1045858612.db2.gz DTVQGQBRPHZOAH-QGZVFWFLSA-N 1 1 342.458 4.245 20 10 EICDMO c1ccc2c(c1)CC[C@@H]2[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000768937627 1045863408 /nfs/dbraw/zinc/86/34/08/1045863408.db2.gz VNKGABSGMQMCCP-QHCPKHFHSA-N 1 1 348.490 4.175 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000076074252 1045866832 /nfs/dbraw/zinc/86/68/32/1045866832.db2.gz NGSVSNBLXSDNCS-HNNXBMFYSA-N 1 1 337.423 4.415 20 10 EICDMO Cc1cccc(C[N@H+](C)Cc2ccc(F)cc2Br)c1O ZINC000792192172 1045876725 /nfs/dbraw/zinc/87/67/25/1045876725.db2.gz GLRAMCKJFDPSAQ-UHFFFAOYSA-N 1 1 338.220 4.234 20 10 EICDMO Cc1cccc(C[N@@H+](C)Cc2ccc(F)cc2Br)c1O ZINC000792192172 1045876733 /nfs/dbraw/zinc/87/67/33/1045876733.db2.gz GLRAMCKJFDPSAQ-UHFFFAOYSA-N 1 1 338.220 4.234 20 10 EICDMO CC1(C)C[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1ccccc1 ZINC000769086466 1045880919 /nfs/dbraw/zinc/88/09/19/1045880919.db2.gz LYIHKHAYGBZHFL-OAQYLSRUSA-N 1 1 336.479 4.106 20 10 EICDMO c1cc(N2CCCCC2)ccc1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000769207973 1045893926 /nfs/dbraw/zinc/89/39/26/1045893926.db2.gz HFDIZNZQMCDQNK-UHFFFAOYSA-N 1 1 341.543 4.127 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1cccc2c1OCO2)C1CCCC1 ZINC000769384138 1045941494 /nfs/dbraw/zinc/94/14/94/1045941494.db2.gz LIOQASSXRJQFAB-UHFFFAOYSA-N 1 1 325.408 4.066 20 10 EICDMO CCOc1cccc(C[N@H+]2CCS[C@H](c3ccccc3)C2)c1O ZINC000769426167 1045959484 /nfs/dbraw/zinc/95/94/84/1045959484.db2.gz NDHQXCIRXWFOHM-SFHVURJKSA-N 1 1 329.465 4.081 20 10 EICDMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)c(O)c1 ZINC000769461915 1045983137 /nfs/dbraw/zinc/98/31/37/1045983137.db2.gz ZIQAQYRYQDMMAJ-FQEVSTJZSA-N 1 1 340.467 4.194 20 10 EICDMO Oc1c(Br)cccc1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000769499867 1045997409 /nfs/dbraw/zinc/99/74/09/1045997409.db2.gz WZLCDKXDSSWZJR-UONOGXRCSA-N 1 1 342.302 4.015 20 10 EICDMO Oc1c(Br)cccc1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000769499867 1045997425 /nfs/dbraw/zinc/99/74/25/1045997425.db2.gz WZLCDKXDSSWZJR-UONOGXRCSA-N 1 1 342.302 4.015 20 10 EICDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000769512601 1046004258 /nfs/dbraw/zinc/00/42/58/1046004258.db2.gz KSEGUGGLXOXLAW-OAHLLOKOSA-N 1 1 329.465 4.015 20 10 EICDMO Cc1cnc(CC[N@H+](C)Cc2cc(-c3ccccc3)ccc2O)s1 ZINC000769525306 1046005412 /nfs/dbraw/zinc/00/54/12/1046005412.db2.gz SHYGNUCOPYTNCS-UHFFFAOYSA-N 1 1 338.476 4.499 20 10 EICDMO CCOc1ccc(C[N@@H+](C)Cc2cccc(OC(C)C)c2)c(O)c1 ZINC000769538834 1046012556 /nfs/dbraw/zinc/01/25/56/1046012556.db2.gz XUJCDWJRECYRHM-UHFFFAOYSA-N 1 1 329.440 4.210 20 10 EICDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc(Br)ccc2O)C1 ZINC000769550416 1046018753 /nfs/dbraw/zinc/01/87/53/1046018753.db2.gz RWFSFEUWNFVOTN-ZIAGYGMSSA-N 1 1 344.318 4.261 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)cc1 ZINC000770281829 1046167531 /nfs/dbraw/zinc/16/75/31/1046167531.db2.gz XECXFKRNBDEBGY-KRWDZBQOSA-N 1 1 328.481 4.052 20 10 EICDMO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000770289721 1046169045 /nfs/dbraw/zinc/16/90/45/1046169045.db2.gz GZQOYDCAZTZXCE-LRDDRELGSA-N 1 1 337.872 4.195 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)cc1C ZINC000770327479 1046180814 /nfs/dbraw/zinc/18/08/14/1046180814.db2.gz QVNPADLIXGJWKC-UYAOXDASSA-N 1 1 343.467 4.470 20 10 EICDMO CCC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@@H](O)c1ccccc1 ZINC000793245143 1046189278 /nfs/dbraw/zinc/18/92/78/1046189278.db2.gz XKXRPEDHAAMSPO-QAPCUYQASA-N 1 1 337.822 4.177 20 10 EICDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@]4(C)[C@H](C3)C4(F)F)c2c1 ZINC000793522742 1046261844 /nfs/dbraw/zinc/26/18/44/1046261844.db2.gz FDHYBJZRBNJHSO-ZWKOTPCHSA-N 1 1 333.378 4.031 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C[C@H](O)c2ccc(Cl)cc2)C2CC2)cc1 ZINC000771579622 1046448949 /nfs/dbraw/zinc/44/89/49/1046448949.db2.gz ZRQXEDQGHXUNJD-FQEVSTJZSA-N 1 1 344.886 4.104 20 10 EICDMO CC(C)[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc(N(C)C)cc1 ZINC000917075375 1046638965 /nfs/dbraw/zinc/63/89/65/1046638965.db2.gz UKYRFLOIDZKBKI-UHFFFAOYSA-N 1 1 348.494 4.349 20 10 EICDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cc3ccccc3o2)c1 ZINC000786576751 1046849136 /nfs/dbraw/zinc/84/91/36/1046849136.db2.gz WDVIAWKQDALXFQ-STQMWFEESA-N 1 1 339.391 4.337 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](c3ccc(Cl)cc3)C1)CCC2 ZINC000917484683 1046907225 /nfs/dbraw/zinc/90/72/25/1046907225.db2.gz WCEKYPOHXCESGK-HXUWFJFHSA-N 1 1 343.854 4.108 20 10 EICDMO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCCC2(F)F)c1O ZINC000806180350 1047191516 /nfs/dbraw/zinc/19/15/16/1047191516.db2.gz NEFLPDATDFFJOA-BXKDBHETSA-N 1 1 334.204 4.302 20 10 EICDMO CO[C@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)c1ccccc1 ZINC000788561175 1047224226 /nfs/dbraw/zinc/22/42/26/1047224226.db2.gz FYGXBXIAOWTAFS-MLGOLLRUSA-N 1 1 339.357 4.449 20 10 EICDMO C[C@@H](O)c1ccc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)cc1 ZINC000788561653 1047225743 /nfs/dbraw/zinc/22/57/43/1047225743.db2.gz GSIUJLJJZOIPRH-VXGBXAGGSA-N 1 1 339.357 4.315 20 10 EICDMO C[C@@H](O)c1ccc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)cc1 ZINC000788561649 1047226265 /nfs/dbraw/zinc/22/62/65/1047226265.db2.gz GSIUJLJJZOIPRH-NWDGAFQWSA-N 1 1 339.357 4.315 20 10 EICDMO CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000788593639 1047241474 /nfs/dbraw/zinc/24/14/74/1047241474.db2.gz HEVWHMDXGMMTQI-KGLIPLIRSA-N 1 1 344.421 4.182 20 10 EICDMO C[C@H]([NH2+]CCCOCC(F)(F)F)c1cccc(C(F)(F)F)c1O ZINC000788646098 1047248819 /nfs/dbraw/zinc/24/88/19/1047248819.db2.gz JMVZLJVJWZGEQU-VIFPVBQESA-N 1 1 345.283 4.031 20 10 EICDMO C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cccc(C(F)(F)F)c1O ZINC000788669962 1047267350 /nfs/dbraw/zinc/26/73/50/1047267350.db2.gz HASSWCSACWGQGN-NWDGAFQWSA-N 1 1 329.362 4.163 20 10 EICDMO C[C@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)c1nccs1 ZINC000788735448 1047297285 /nfs/dbraw/zinc/29/72/85/1047297285.db2.gz AYDSZYXUNBCDAI-NXEZZACHSA-N 1 1 330.375 4.322 20 10 EICDMO CCC(CC)(C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)C(=O)OC ZINC000788735467 1047297575 /nfs/dbraw/zinc/29/75/75/1047297575.db2.gz BKSSLMJKUMAVSF-LLVKDONJSA-N 1 1 347.377 4.041 20 10 EICDMO C[C@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1cccc(C(F)(F)F)c1O ZINC000788776498 1047312737 /nfs/dbraw/zinc/31/27/37/1047312737.db2.gz OVSFBXMURSHKKA-JSGCOSHPSA-N 1 1 342.405 4.079 20 10 EICDMO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)cc1 ZINC000788778276 1047313073 /nfs/dbraw/zinc/31/30/73/1047313073.db2.gz XQRCSNOFKKKAAK-BLLLJJGKSA-N 1 1 339.357 4.104 20 10 EICDMO CCOC[C@@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1O)C(C)C ZINC000788984600 1047339459 /nfs/dbraw/zinc/33/94/59/1047339459.db2.gz LAVCSRGTRKYBHQ-QMTHXVAHSA-N 1 1 348.256 4.006 20 10 EICDMO C[N@H+](Cc1ccc(Br)cc1)Cc1cc(F)c(F)cc1O ZINC001142520732 1047489942 /nfs/dbraw/zinc/48/99/42/1047489942.db2.gz OSQXVAYMDVGJCJ-UHFFFAOYSA-N 1 1 342.183 4.065 20 10 EICDMO C[N@@H+](Cc1ccc(Br)cc1)Cc1cc(F)c(F)cc1O ZINC001142520732 1047489963 /nfs/dbraw/zinc/48/99/63/1047489963.db2.gz OSQXVAYMDVGJCJ-UHFFFAOYSA-N 1 1 342.183 4.065 20 10 EICDMO C[N@H+](CCc1ccc(C(F)(F)F)cc1)Cc1cc(F)c(F)cc1O ZINC001142534778 1047555461 /nfs/dbraw/zinc/55/54/61/1047555461.db2.gz WHTAQEQCVKKCFO-UHFFFAOYSA-N 1 1 345.311 4.364 20 10 EICDMO C[N@@H+](CCc1ccc(C(F)(F)F)cc1)Cc1cc(F)c(F)cc1O ZINC001142534778 1047555483 /nfs/dbraw/zinc/55/54/83/1047555483.db2.gz WHTAQEQCVKKCFO-UHFFFAOYSA-N 1 1 345.311 4.364 20 10 EICDMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@H]3c3cc(C)on3)c2c1 ZINC000747448178 1047586208 /nfs/dbraw/zinc/58/62/08/1047586208.db2.gz CLJGTYJAKBKYSK-LJQANCHMSA-N 1 1 338.407 4.188 20 10 EICDMO COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c(O)cc1C ZINC000790462696 1047587746 /nfs/dbraw/zinc/58/77/46/1047587746.db2.gz YMEHANZBNHNQHN-OAHLLOKOSA-N 1 1 331.378 4.120 20 10 EICDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000918764127 1047648765 /nfs/dbraw/zinc/64/87/65/1047648765.db2.gz WYODZWUKFBACGU-INIZCTEOSA-N 1 1 344.886 4.370 20 10 EICDMO CO[C@H]1CC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)[C@H](C)C1 ZINC000824339383 1047856964 /nfs/dbraw/zinc/85/69/64/1047856964.db2.gz UQJNUDMRKXSJOC-APWZRJJASA-N 1 1 344.524 4.384 20 10 EICDMO CSC[C@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000814178941 1047868845 /nfs/dbraw/zinc/86/88/45/1047868845.db2.gz JVXPTDCVNSJCKG-LBPRGKRZSA-N 1 1 344.318 4.038 20 10 EICDMO CSC[C@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000814178941 1047868850 /nfs/dbraw/zinc/86/88/50/1047868850.db2.gz JVXPTDCVNSJCKG-LBPRGKRZSA-N 1 1 344.318 4.038 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[NH2+]Cc1nccc(C(F)F)n1 ZINC000808434733 1047899530 /nfs/dbraw/zinc/89/95/30/1047899530.db2.gz DKGUDKGIVHGENN-UHFFFAOYSA-N 1 1 341.361 4.077 20 10 EICDMO CCCN(CCC)c1ccc(C[NH2+]Cc2noc3c2CCCC3)cc1 ZINC000808435899 1047900102 /nfs/dbraw/zinc/90/01/02/1047900102.db2.gz BYNUYHAHBMWASM-UHFFFAOYSA-N 1 1 341.499 4.470 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1Cl ZINC000824926826 1047996003 /nfs/dbraw/zinc/99/60/03/1047996003.db2.gz HXENCMZUIBHOPM-PBHICJAKSA-N 1 1 335.831 4.035 20 10 EICDMO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2COc3cc(F)cc(F)c32)c1O ZINC000808715502 1048061205 /nfs/dbraw/zinc/06/12/05/1048061205.db2.gz USYGNDZKOGTCGU-YMTOWFKASA-N 1 1 339.769 4.417 20 10 EICDMO Cc1cc(C[N@H+](C)Cc2nc3ccccc3s2)ccc1N(C)C ZINC000815012763 1048295642 /nfs/dbraw/zinc/29/56/42/1048295642.db2.gz MAUOBKJPEMKHQI-UHFFFAOYSA-N 1 1 325.481 4.303 20 10 EICDMO Cc1cc(C[N@@H+](C)Cc2nc3ccccc3s2)ccc1N(C)C ZINC000815012763 1048295656 /nfs/dbraw/zinc/29/56/56/1048295656.db2.gz MAUOBKJPEMKHQI-UHFFFAOYSA-N 1 1 325.481 4.303 20 10 EICDMO CN(c1ccc(C[NH2+]Cc2cnn(C)c2Cl)cc1)C1CCCCC1 ZINC000815120337 1048334296 /nfs/dbraw/zinc/33/42/96/1048334296.db2.gz GWYVHTQGEIPLFU-UHFFFAOYSA-N 1 1 346.906 4.132 20 10 EICDMO CCOc1cccc(C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)c1O ZINC000155159447 1048382528 /nfs/dbraw/zinc/38/25/28/1048382528.db2.gz KCBUFHCUQIEHAF-SFHVURJKSA-N 1 1 327.424 4.137 20 10 EICDMO Oc1cc2c(cc1O)C[N@H+]([C@@H]1CCc3cc(Cl)ccc3C1)CCC2 ZINC001171136819 1048410255 /nfs/dbraw/zinc/41/02/55/1048410255.db2.gz WPNWSHBQXSPEMT-GOSISDBHSA-N 1 1 343.854 4.057 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000809699832 1048464813 /nfs/dbraw/zinc/46/48/13/1048464813.db2.gz XNNHYNRSAGJGPM-JOCHJYFZSA-N 1 1 333.431 4.128 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000809728883 1048480728 /nfs/dbraw/zinc/48/07/28/1048480728.db2.gz KEDKUQRRSDULSP-MRXNPFEDSA-N 1 1 347.256 4.195 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000809728883 1048480739 /nfs/dbraw/zinc/48/07/39/1048480739.db2.gz KEDKUQRRSDULSP-MRXNPFEDSA-N 1 1 347.256 4.195 20 10 EICDMO COc1cccc(CC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)c1 ZINC000815560900 1048509843 /nfs/dbraw/zinc/50/98/43/1048509843.db2.gz TYJJJFAHLHDYKS-LBPRGKRZSA-N 1 1 339.357 4.313 20 10 EICDMO CCOc1cccc(C[N@@H+](C)[C@H](CC)c2ccccc2OC)c1O ZINC000809780616 1048529183 /nfs/dbraw/zinc/52/91/83/1048529183.db2.gz DOMGVBZEGFOLJC-QGZVFWFLSA-N 1 1 329.440 4.383 20 10 EICDMO Cc1ncc(CC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)s1 ZINC000815596774 1048530187 /nfs/dbraw/zinc/53/01/87/1048530187.db2.gz DKNSYSICDYKCSP-VIFPVBQESA-N 1 1 330.375 4.069 20 10 EICDMO CCOc1ccc(O)c(C[N@@H+](C)[C@@H](CC)c2ccccc2OC)c1 ZINC000809781151 1048530047 /nfs/dbraw/zinc/53/00/47/1048530047.db2.gz PGNWIXWYWCMDBJ-SFHVURJKSA-N 1 1 329.440 4.383 20 10 EICDMO CCOc1cccc(C[N@@H+]2CCCn3c(cc4ccccc43)C2)c1O ZINC000809783354 1048530972 /nfs/dbraw/zinc/53/09/72/1048530972.db2.gz ZNAWGZXKTIFWRG-UHFFFAOYSA-N 1 1 336.435 4.152 20 10 EICDMO CCOc1cccc(C[N@H+]2CCCn3c(cc4ccccc43)C2)c1O ZINC000809783354 1048530979 /nfs/dbraw/zinc/53/09/79/1048530979.db2.gz ZNAWGZXKTIFWRG-UHFFFAOYSA-N 1 1 336.435 4.152 20 10 EICDMO CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815598633 1048532815 /nfs/dbraw/zinc/53/28/15/1048532815.db2.gz ZCBZZZALHSVKJS-NHYWBVRUSA-N 1 1 333.394 4.105 20 10 EICDMO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815598634 1048532963 /nfs/dbraw/zinc/53/29/63/1048532963.db2.gz ZCBZZZALHSVKJS-XHDPSFHLSA-N 1 1 333.394 4.105 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1cc(Cl)c(Cl)cc1O ZINC000815642827 1048567637 /nfs/dbraw/zinc/56/76/37/1048567637.db2.gz MYMXQXVHSAIUEH-DTWKUNHWSA-N 1 1 327.211 4.211 20 10 EICDMO Cc1ccc(C[N@@H+](C)Cc2cc(Br)c(F)cc2O)cc1 ZINC001144300178 1048577449 /nfs/dbraw/zinc/57/74/49/1048577449.db2.gz VVXPQOWAQPWGTP-UHFFFAOYSA-N 1 1 338.220 4.234 20 10 EICDMO Cc1ccc(C[N@H+](C)Cc2cc(Br)c(F)cc2O)cc1 ZINC001144300178 1048577463 /nfs/dbraw/zinc/57/74/63/1048577463.db2.gz VVXPQOWAQPWGTP-UHFFFAOYSA-N 1 1 338.220 4.234 20 10 EICDMO Oc1cc(O)c(C[N@@H+](Cc2ccccc2)C2CCCCC2)c(O)c1 ZINC001144504607 1048701338 /nfs/dbraw/zinc/70/13/38/1048701338.db2.gz WZJZSYVKLFNRLT-UHFFFAOYSA-N 1 1 327.424 4.138 20 10 EICDMO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cc(Cl)c(F)cc1O)CCC2 ZINC000816510522 1048823291 /nfs/dbraw/zinc/82/32/91/1048823291.db2.gz YCENIHJHXMVFDI-CQSZACIVSA-N 1 1 340.851 4.459 20 10 EICDMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc(Cl)c(F)cc1O)CCC2 ZINC000816510522 1048823292 /nfs/dbraw/zinc/82/32/92/1048823292.db2.gz YCENIHJHXMVFDI-CQSZACIVSA-N 1 1 340.851 4.459 20 10 EICDMO Oc1c(C[N@H+]2CCO[C@H](c3ccsc3)C2)ccc2ccccc21 ZINC000816516502 1048823798 /nfs/dbraw/zinc/82/37/98/1048823798.db2.gz HLSSEAGQDKVUOG-SFHVURJKSA-N 1 1 325.433 4.180 20 10 EICDMO COc1cc(Cl)ccc1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816551626 1048825680 /nfs/dbraw/zinc/82/56/80/1048825680.db2.gz JCMMIZMFQWICTG-UHFFFAOYSA-N 1 1 330.186 4.137 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(Br)cc1 ZINC000816541448 1048827577 /nfs/dbraw/zinc/82/75/77/1048827577.db2.gz MXBXHCFJRSZIRQ-UHFFFAOYSA-N 1 1 344.611 4.237 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000816546355 1048828794 /nfs/dbraw/zinc/82/87/94/1048828794.db2.gz HRYCJLLSHZTLCE-LJQANCHMSA-N 1 1 345.801 4.161 20 10 EICDMO COc1c(C)cnc(C[N@@H+](C)Cc2ccc3ccccc3c2O)c1C ZINC000816568762 1048836799 /nfs/dbraw/zinc/83/67/99/1048836799.db2.gz PQVLOHZJEKWYBS-UHFFFAOYSA-N 1 1 336.435 4.198 20 10 EICDMO CC(C)([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccc([N+](=O)[O-])cc1 ZINC000816569259 1048837413 /nfs/dbraw/zinc/83/74/13/1048837413.db2.gz FCKZPLFQNYMGBT-UHFFFAOYSA-N 1 1 338.766 4.118 20 10 EICDMO Oc1c(C[N@@H+]2CCSC[C@@H]2c2nccs2)ccc2ccccc21 ZINC000816571823 1048839486 /nfs/dbraw/zinc/83/94/86/1048839486.db2.gz RMQHYHIAOYNJTL-MRXNPFEDSA-N 1 1 342.489 4.292 20 10 EICDMO Oc1c(C[N@H+]2CCSC[C@@H]2c2nccs2)ccc2ccccc21 ZINC000816571823 1048839494 /nfs/dbraw/zinc/83/94/94/1048839494.db2.gz RMQHYHIAOYNJTL-MRXNPFEDSA-N 1 1 342.489 4.292 20 10 EICDMO CCOc1ccc(C[N@@H+]2CCc3cc(OC)c(Cl)cc3C2)c(O)c1 ZINC000816665139 1048851194 /nfs/dbraw/zinc/85/11/94/1048851194.db2.gz URJNVTRRXWRQAH-UHFFFAOYSA-N 1 1 347.842 4.011 20 10 EICDMO CCOc1ccc(C[N@H+]2CCc3cc(OC)c(Cl)cc3C2)c(O)c1 ZINC000816665139 1048851198 /nfs/dbraw/zinc/85/11/98/1048851198.db2.gz URJNVTRRXWRQAH-UHFFFAOYSA-N 1 1 347.842 4.011 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)c1O ZINC000817412133 1048964820 /nfs/dbraw/zinc/96/48/20/1048964820.db2.gz DKJYTATVBKJWLX-SNVBAGLBSA-N 1 1 337.769 4.219 20 10 EICDMO C[C@H]1C[C@@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c2ccsc2S1 ZINC000817942497 1049060518 /nfs/dbraw/zinc/06/05/18/1049060518.db2.gz PANPIQZZWQOHRS-AFAVFJNCSA-N 1 1 347.553 4.029 20 10 EICDMO Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817938600 1049062418 /nfs/dbraw/zinc/06/24/18/1049062418.db2.gz ODJKGUVOGQHGJF-HNAYVOBHSA-N 1 1 337.467 4.158 20 10 EICDMO COc1cc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c(O)c(C(C)(C)C)c1 ZINC000811781165 1049262872 /nfs/dbraw/zinc/26/28/72/1049262872.db2.gz ZFQIASWOEGPDNC-PKOBYXMFSA-N 1 1 347.499 4.088 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1C(C)C ZINC000811789497 1049277882 /nfs/dbraw/zinc/27/78/82/1049277882.db2.gz CYAKVMXVWKNQTB-UXHICEINSA-N 1 1 329.484 4.358 20 10 EICDMO Oc1cc2ccccc2cc1CNc1[nH+]cnc2[nH]c3c(c21)CCCC3 ZINC001171399057 1049615549 /nfs/dbraw/zinc/61/55/49/1049615549.db2.gz AEPNJXWKERZMKM-UHFFFAOYSA-N 1 1 344.418 4.308 20 10 EICDMO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H]1CC1CCCC1 ZINC001171630586 1049761671 /nfs/dbraw/zinc/76/16/71/1049761671.db2.gz AVMBSCODFPYJOZ-OAQYLSRUSA-N 1 1 328.500 4.068 20 10 EICDMO Oc1c(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)ccc2ccccc21 ZINC000822530268 1049767072 /nfs/dbraw/zinc/76/70/72/1049767072.db2.gz WAQDRHNIKIUFAN-OAQYLSRUSA-N 1 1 337.463 4.327 20 10 EICDMO CN(C)c1ccc(/C=C\C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1 ZINC000822529796 1049768872 /nfs/dbraw/zinc/76/88/72/1049768872.db2.gz JGNHKDVSERMQPB-VEBBDIFPSA-N 1 1 340.511 4.047 20 10 EICDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C3CC3)cc2F)c1 ZINC000813875057 1049829574 /nfs/dbraw/zinc/82/95/74/1049829574.db2.gz KKFXOSHZYFBOCG-LBPRGKRZSA-N 1 1 343.398 4.046 20 10 EICDMO CN(Cc1cccs1)c1ccc(C[N@@H+](C)C[C@H]2CCCOC2)cc1 ZINC000823437398 1049846339 /nfs/dbraw/zinc/84/63/39/1049846339.db2.gz MOOCIIITMBQZHA-GOSISDBHSA-N 1 1 344.524 4.243 20 10 EICDMO Cc1cnc(C[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)s1 ZINC000823882325 1049884923 /nfs/dbraw/zinc/88/49/23/1049884923.db2.gz MGLOXAVNJODSGI-UHFFFAOYSA-N 1 1 343.521 4.439 20 10 EICDMO CN(Cc1cccs1)c1ccc(C[N@@H+](C)Cc2ccccn2)cc1 ZINC000824153243 1049902982 /nfs/dbraw/zinc/90/29/82/1049902982.db2.gz DVANQNFQFAEQOW-UHFFFAOYSA-N 1 1 337.492 4.412 20 10 EICDMO CC[N@@H+](Cc1ccccc1O)[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173079052 1050295114 /nfs/dbraw/zinc/29/51/14/1050295114.db2.gz VDPFXCFODKBTHE-RDJZCZTQSA-N 1 1 348.487 4.002 20 10 EICDMO CCCOC1CCC([N@@H+](C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001173100044 1050325232 /nfs/dbraw/zinc/32/52/32/1050325232.db2.gz ZQAIHTSGQAEMIE-UHFFFAOYSA-N 1 1 330.516 4.456 20 10 EICDMO CCN(C)c1ccc(C[N@H+](C)Cc2nc3c(s2)CCCC3)cc1 ZINC000773754327 1050511572 /nfs/dbraw/zinc/51/15/72/1050511572.db2.gz MKTQHPCRFNCZIJ-UHFFFAOYSA-N 1 1 329.513 4.110 20 10 EICDMO CCN(C)c1ccc(C[N@@H+](C)Cc2nc3c(s2)CCCC3)cc1 ZINC000773754327 1050511586 /nfs/dbraw/zinc/51/15/86/1050511586.db2.gz MKTQHPCRFNCZIJ-UHFFFAOYSA-N 1 1 329.513 4.110 20 10 EICDMO Cc1ccc2c(C)cc(NCc3ccc(N4CCOCC4)cc3)[nH+]c2c1 ZINC000763509321 1050551892 /nfs/dbraw/zinc/55/18/92/1050551892.db2.gz RILUBJITLNJBQT-UHFFFAOYSA-N 1 1 347.462 4.300 20 10 EICDMO Cc1ccc(C[NH2+]Cc2cccc(Br)c2O)cc1Cl ZINC000775144056 1050630293 /nfs/dbraw/zinc/63/02/93/1050630293.db2.gz DQFDDRBFIXXWLE-UHFFFAOYSA-N 1 1 340.648 4.406 20 10 EICDMO CCN(CC)c1ccc(CNc2[nH+]c3cc(F)ccc3n2C)cc1 ZINC001179810183 1050783635 /nfs/dbraw/zinc/78/36/35/1050783635.db2.gz KZTIBRJYFCXCLO-UHFFFAOYSA-N 1 1 326.419 4.171 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)Cc2cc3c(cccc3O)s2)cc1 ZINC001179844744 1050792340 /nfs/dbraw/zinc/79/23/40/1050792340.db2.gz AGMGCJRLSAAJTF-UHFFFAOYSA-N 1 1 326.465 4.305 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccsc2C(F)(F)F)cc1 ZINC001179845294 1050798123 /nfs/dbraw/zinc/79/81/23/1050798123.db2.gz NVSRPNWWIUEBQY-UHFFFAOYSA-N 1 1 328.403 4.465 20 10 EICDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC001179855034 1050800555 /nfs/dbraw/zinc/80/05/55/1050800555.db2.gz MMQMDSDRHRALSD-CYBMUJFWSA-N 1 1 335.419 4.285 20 10 EICDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC001179855034 1050800557 /nfs/dbraw/zinc/80/05/57/1050800557.db2.gz MMQMDSDRHRALSD-CYBMUJFWSA-N 1 1 335.419 4.285 20 10 EICDMO COc1cc(C[N@@H+](C)C[C@@H](C)c2nccs2)c(O)c(C(C)(C)C)c1 ZINC000182844063 1050858116 /nfs/dbraw/zinc/85/81/16/1050858116.db2.gz IVWROIFIYRSXMC-CYBMUJFWSA-N 1 1 348.512 4.390 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H](C(C)(C)C)C2)c1 ZINC001180317980 1050949787 /nfs/dbraw/zinc/94/97/87/1050949787.db2.gz TYUXTSJGUOIBKW-ZDUSSCGKSA-N 1 1 326.278 4.331 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H](C(C)(C)C)C2)c1 ZINC001180317980 1050949794 /nfs/dbraw/zinc/94/97/94/1050949794.db2.gz TYUXTSJGUOIBKW-ZDUSSCGKSA-N 1 1 326.278 4.331 20 10 EICDMO CC[N@@H+](Cc1ccccn1)Cc1ccc(OCc2ccccc2)cc1O ZINC000183066942 1050963947 /nfs/dbraw/zinc/96/39/47/1050963947.db2.gz NPBZGJWCQQRDIZ-UHFFFAOYSA-N 1 1 348.446 4.388 20 10 EICDMO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1cc(F)c(F)cc1O ZINC001180349505 1050965583 /nfs/dbraw/zinc/96/55/83/1050965583.db2.gz MMLDENMLXBWJLN-DYZYQPBXSA-N 1 1 341.785 4.190 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2Cc2ccccc2)c1O ZINC001180521167 1051014574 /nfs/dbraw/zinc/01/45/74/1051014574.db2.gz JNIHFGVOGRDGHR-KRWDZBQOSA-N 1 1 331.843 4.261 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H]2c2ccc(COC)o2)cc1 ZINC000773862422 1051023689 /nfs/dbraw/zinc/02/36/89/1051023689.db2.gz YQBYOSFTXWDKJQ-LJQANCHMSA-N 1 1 328.456 4.219 20 10 EICDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc2ccccc2c1O ZINC001180505529 1051026025 /nfs/dbraw/zinc/02/60/25/1051026025.db2.gz XJGXNANLLOKLMA-UHFFFAOYSA-N 1 1 335.403 4.296 20 10 EICDMO COc1ccccc1C[N@@H+](C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC001180558789 1051033377 /nfs/dbraw/zinc/03/33/77/1051033377.db2.gz UPPXOAMOCXSRGW-SREVYHEPSA-N 1 1 336.479 4.439 20 10 EICDMO CN1CCC([N@@H+](Cc2ccccc2)Cc2ccc(Cl)cc2O)CC1 ZINC001181534393 1051248114 /nfs/dbraw/zinc/24/81/14/1051248114.db2.gz LFZYWIWEZGBYCX-UHFFFAOYSA-N 1 1 344.886 4.142 20 10 EICDMO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774259122 1051531352 /nfs/dbraw/zinc/53/13/52/1051531352.db2.gz PVRFIIMWXCXAOK-NOZJJQNGSA-N 1 1 346.279 4.453 20 10 EICDMO C[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1cc(Cl)c(Cl)cc1O ZINC000774270496 1051538478 /nfs/dbraw/zinc/53/84/78/1051538478.db2.gz FFKIWHCSSFWRFZ-MNOVXSKESA-N 1 1 346.254 4.035 20 10 EICDMO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1nc(-c2ccccc2)no1 ZINC000774482534 1051610710 /nfs/dbraw/zinc/61/07/10/1051610710.db2.gz GUTGHBKAPYSBEU-HUUCEWRRSA-N 1 1 336.439 4.214 20 10 EICDMO CCOC(=O)CCC[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC001192316289 1051689137 /nfs/dbraw/zinc/68/91/37/1051689137.db2.gz YCQLUPDFJCVEBH-QGZVFWFLSA-N 1 1 341.451 4.299 20 10 EICDMO COc1ccc(O)c(C[N@@H+](C)Cc2oc3c(cccc3C)c2C)c1 ZINC001182725046 1051689118 /nfs/dbraw/zinc/68/91/18/1051689118.db2.gz FDUNOCIQUWONPA-UHFFFAOYSA-N 1 1 325.408 4.396 20 10 EICDMO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC001182960778 1051750405 /nfs/dbraw/zinc/75/04/05/1051750405.db2.gz UVQUMVCJUUTFCN-LBPRGKRZSA-N 1 1 342.252 4.306 20 10 EICDMO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC001182960778 1051750412 /nfs/dbraw/zinc/75/04/12/1051750412.db2.gz UVQUMVCJUUTFCN-LBPRGKRZSA-N 1 1 342.252 4.306 20 10 EICDMO Cc1nc([C@H]2CCC[N@H+]2Cc2cc3c(cc2O)CCCC3)cs1 ZINC000774584623 1051792695 /nfs/dbraw/zinc/79/26/95/1051792695.db2.gz DFSWUMABIWNANX-GOSISDBHSA-N 1 1 328.481 4.373 20 10 EICDMO Oc1cc(F)c(F)cc1C[NH2+]Cc1ccccc1CC(F)(F)F ZINC001183197108 1051803858 /nfs/dbraw/zinc/80/38/58/1051803858.db2.gz NJRBDQWKYHXGOD-UHFFFAOYSA-N 1 1 331.284 4.065 20 10 EICDMO C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1Cc1ccccc1O ZINC001203562310 1051816276 /nfs/dbraw/zinc/81/62/76/1051816276.db2.gz HSILNBGHSWCHEL-GFCCVEGCSA-N 1 1 332.241 4.102 20 10 EICDMO Cc1cc(C[N@@H+](C)Cc2cccc(F)c2)c(O)cc1Br ZINC001250120654 1051879747 /nfs/dbraw/zinc/87/97/47/1051879747.db2.gz LQQBNTZVYUBDRC-UHFFFAOYSA-N 1 1 338.220 4.234 20 10 EICDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1c1ccccc1 ZINC001176036458 1051882077 /nfs/dbraw/zinc/88/20/77/1051882077.db2.gz MPUDCRIJWJXYSS-PGRDOPGGSA-N 1 1 336.479 4.106 20 10 EICDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC001183798520 1051900146 /nfs/dbraw/zinc/90/01/46/1051900146.db2.gz FPCNPAUOPDCJRG-MJSXRHKHSA-N 1 1 342.380 4.132 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)c1O ZINC001176651010 1052168225 /nfs/dbraw/zinc/16/82/25/1052168225.db2.gz ZKPSDPMEXYFLOE-KSSFIOAISA-N 1 1 333.859 4.259 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)c1O ZINC001176651010 1052168227 /nfs/dbraw/zinc/16/82/27/1052168227.db2.gz ZKPSDPMEXYFLOE-KSSFIOAISA-N 1 1 333.859 4.259 20 10 EICDMO C[C@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cc(F)ccc1O ZINC000184919918 1052308993 /nfs/dbraw/zinc/30/89/93/1052308993.db2.gz JPUXBIQFNPVLSP-HNAYVOBHSA-N 1 1 328.431 4.019 20 10 EICDMO CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1ccc2c(c1)OCCO2 ZINC000185107123 1052434872 /nfs/dbraw/zinc/43/48/72/1052434872.db2.gz GMBHUDPCKYHHQI-WBMJQRKESA-N 1 1 331.387 4.104 20 10 EICDMO COc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)c(C(F)(F)F)c1 ZINC000185309787 1052575724 /nfs/dbraw/zinc/57/57/24/1052575724.db2.gz ISWUHPGFXZQBTF-JTQLQIEISA-N 1 1 343.320 4.410 20 10 EICDMO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)c1cc2c(cc1O)CCCC2 ZINC000185649195 1052667202 /nfs/dbraw/zinc/66/72/02/1052667202.db2.gz ZMUMIUNMIPXPAL-MRXNPFEDSA-N 1 1 342.527 4.329 20 10 EICDMO Cc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2ccc(F)cc2O)c1 ZINC000185695153 1052679312 /nfs/dbraw/zinc/67/93/12/1052679312.db2.gz JUDGJEHTTHCEOK-NSHDSACASA-N 1 1 325.330 4.292 20 10 EICDMO Cc1nc(C[NH2+]Cc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)[nH]c1C ZINC000850285594 1053107259 /nfs/dbraw/zinc/10/72/59/1053107259.db2.gz VQEHNVJXXBIYPE-CYBMUJFWSA-N 1 1 346.906 4.206 20 10 EICDMO C[C@H](NCCC[NH+]1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000764663223 1053248293 /nfs/dbraw/zinc/24/82/93/1053248293.db2.gz QTKIXKQDZWJPMQ-IBGZPJMESA-N 1 1 329.532 4.204 20 10 EICDMO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000764663223 1053248315 /nfs/dbraw/zinc/24/83/15/1053248315.db2.gz QTKIXKQDZWJPMQ-IBGZPJMESA-N 1 1 329.532 4.204 20 10 EICDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000794654954 1053251015 /nfs/dbraw/zinc/25/10/15/1053251015.db2.gz DQRMHMNMLDDWQR-MFKMUULPSA-N 1 1 331.378 4.168 20 10 EICDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000794654955 1053253930 /nfs/dbraw/zinc/25/39/30/1053253930.db2.gz DQRMHMNMLDDWQR-ZWNOBZJWSA-N 1 1 331.378 4.168 20 10 EICDMO Cn1cnc2cc(C[N@@H+](Cc3ccco3)Cc3ccccc3O)ccc21 ZINC000775632912 1053255601 /nfs/dbraw/zinc/25/56/01/1053255601.db2.gz DBQHFVJHHKLJGP-UHFFFAOYSA-N 1 1 347.418 4.074 20 10 EICDMO C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1O ZINC000850555531 1053313532 /nfs/dbraw/zinc/31/35/32/1053313532.db2.gz HRVRXPKFYRTNOJ-ABKXIKBNSA-N 1 1 344.213 4.222 20 10 EICDMO C[C@@H]([NH2+]CCC1SCCS1)c1cccc(C(F)(F)F)c1O ZINC000850569047 1053322828 /nfs/dbraw/zinc/32/28/28/1053322828.db2.gz ROVVXKCFWGNBIG-SECBINFHSA-N 1 1 337.432 4.258 20 10 EICDMO CC[C@@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000764809142 1053323042 /nfs/dbraw/zinc/32/30/42/1053323042.db2.gz ICRWARHISJJFAD-NHCUHLMSSA-N 1 1 348.494 4.316 20 10 EICDMO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2c2cccn2C)c1O ZINC000775644782 1053333536 /nfs/dbraw/zinc/33/35/36/1053333536.db2.gz UYWWWVDIBNWVJJ-MRXNPFEDSA-N 1 1 349.272 4.139 20 10 EICDMO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1cccc(C)c1O)CC2 ZINC000775646901 1053345393 /nfs/dbraw/zinc/34/53/93/1053345393.db2.gz LHIJNYXZLXJUEF-UHFFFAOYSA-N 1 1 341.451 4.056 20 10 EICDMO O=[N+]([O-])c1cccc(C[N@H+](Cc2cccc(Cl)c2[O-])C2CC2)c1 ZINC000775650499 1053382666 /nfs/dbraw/zinc/38/26/66/1053382666.db2.gz DYKYKJZKHLTFHE-UHFFFAOYSA-N 1 1 332.787 4.118 20 10 EICDMO C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N2CCCCC2)c(F)c1 ZINC000764962447 1053398495 /nfs/dbraw/zinc/39/84/95/1053398495.db2.gz JDBQEDOYXQXOOU-LRQRDZAKSA-N 1 1 345.506 4.093 20 10 EICDMO C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccc(N2CCCCC2)c(F)c1 ZINC000764962447 1053398508 /nfs/dbraw/zinc/39/85/08/1053398508.db2.gz JDBQEDOYXQXOOU-LRQRDZAKSA-N 1 1 345.506 4.093 20 10 EICDMO Cc1cc(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)ccc1N1CCCCC1 ZINC001195452865 1053405165 /nfs/dbraw/zinc/40/51/65/1053405165.db2.gz MGTJJYYSXBBXOJ-IBGZPJMESA-N 1 1 342.527 4.376 20 10 EICDMO CCOc1ccc(C[N@@H+](Cc2cc(OC)ccc2O)C(C)C)cc1 ZINC000775656417 1053406058 /nfs/dbraw/zinc/40/60/58/1053406058.db2.gz GPMNFUSPRAIGCA-UHFFFAOYSA-N 1 1 329.440 4.210 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CCC[C@]2(C)Cc2ccccc2F)cc1 ZINC001195463974 1053408398 /nfs/dbraw/zinc/40/83/98/1053408398.db2.gz QKIUYTDRZSFAKI-OAQYLSRUSA-N 1 1 326.459 4.489 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1cnc2ccccc2n1)C1CCCC1 ZINC000851771215 1053516046 /nfs/dbraw/zinc/51/60/46/1053516046.db2.gz YTFWIGWCUQMXIL-UHFFFAOYSA-N 1 1 333.435 4.280 20 10 EICDMO CCC[N@H+](Cc1csc([C@H](C)OCC)n1)Cc1ccccc1O ZINC000120622846 1053546724 /nfs/dbraw/zinc/54/67/24/1053546724.db2.gz IWTOTNVHJPHQLM-AWEZNQCLSA-N 1 1 334.485 4.358 20 10 EICDMO CCC[N@@H+](Cc1csc([C@H](C)OCC)n1)Cc1ccccc1O ZINC000120622846 1053546737 /nfs/dbraw/zinc/54/67/37/1053546737.db2.gz IWTOTNVHJPHQLM-AWEZNQCLSA-N 1 1 334.485 4.358 20 10 EICDMO Cc1cc(Cl)cc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)c1O ZINC000775679131 1053554308 /nfs/dbraw/zinc/55/43/08/1053554308.db2.gz NJUMCRNWHZLHEQ-GOSISDBHSA-N 1 1 331.843 4.318 20 10 EICDMO Cc1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)cc(Cl)n1 ZINC000797589439 1053565923 /nfs/dbraw/zinc/56/59/23/1053565923.db2.gz QCGZCGHXMQPGSB-UHFFFAOYSA-N 1 1 329.875 4.274 20 10 EICDMO Cc1cccc(C[N@@H+](CC(C)C)C[C@@H](O)c2ccc(F)cc2)c1O ZINC000775703357 1053619109 /nfs/dbraw/zinc/61/91/09/1053619109.db2.gz OXROBHRHPBYJFR-LJQANCHMSA-N 1 1 331.431 4.031 20 10 EICDMO CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1[O-] ZINC000853240302 1053655909 /nfs/dbraw/zinc/65/59/09/1053655909.db2.gz OSPZUWUCLMNJKX-CRAIPNDOSA-N 1 1 336.907 4.208 20 10 EICDMO CCOCc1cc(C[NH2+]C(C)(C)c2nc(C)cs2)ccc1OC ZINC000172079091 1053767964 /nfs/dbraw/zinc/76/79/64/1053767964.db2.gz WJWJYQACUFOXGI-UHFFFAOYSA-N 1 1 334.485 4.022 20 10 EICDMO C[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cccc(C(F)(F)F)c1O ZINC000854228181 1053785826 /nfs/dbraw/zinc/78/58/26/1053785826.db2.gz ZKFXSEXUWSCQRE-MGPLVRAMSA-N 1 1 336.357 4.331 20 10 EICDMO C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1cc(Cl)c(Cl)cc1O ZINC000866632872 1053812020 /nfs/dbraw/zinc/81/20/20/1053812020.db2.gz CZBHDOQXGJURQO-TVQRCGJNSA-N 1 1 326.227 4.081 20 10 EICDMO Cn1c[nH+]c2cc(NCc3ccc(C(=O)OC(C)(C)C)cc3)ccc21 ZINC000765638631 1053829304 /nfs/dbraw/zinc/82/93/04/1053829304.db2.gz KBXSMZMPBSLLKE-UHFFFAOYSA-N 1 1 337.423 4.141 20 10 EICDMO C[C@H]([NH2+]Cc1coc(-c2cccc(F)c2)n1)c1ccc(N(C)C)cc1 ZINC000775835717 1054118122 /nfs/dbraw/zinc/11/81/22/1054118122.db2.gz ILNVEJUYNKAOIS-AWEZNQCLSA-N 1 1 339.414 4.398 20 10 EICDMO Cc1cc(C[N@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)nn1C ZINC000776004260 1054435505 /nfs/dbraw/zinc/43/55/05/1054435505.db2.gz LZOXLXATAVYZDQ-QGZVFWFLSA-N 1 1 335.451 4.198 20 10 EICDMO Cc1cc(C[N@@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)nn1C ZINC000776004260 1054435510 /nfs/dbraw/zinc/43/55/10/1054435510.db2.gz LZOXLXATAVYZDQ-QGZVFWFLSA-N 1 1 335.451 4.198 20 10 EICDMO C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1O)C[C@@H]1CCCOC1 ZINC000776012354 1054444787 /nfs/dbraw/zinc/44/47/87/1054444787.db2.gz YSIGQOQAOMKUAE-ROUUACIJSA-N 1 1 325.452 4.382 20 10 EICDMO CN(C)c1cc(F)c(C[NH2+][C@@H](c2ccccn2)C2CCC2)cc1F ZINC000858239028 1054445836 /nfs/dbraw/zinc/44/58/36/1054445836.db2.gz NSSVFLUYDCBUAW-LJQANCHMSA-N 1 1 331.410 4.057 20 10 EICDMO C[C@@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1O)c1ccns1 ZINC000858576488 1054522316 /nfs/dbraw/zinc/52/23/16/1054522316.db2.gz LGSOMSXDFUAUGS-HTQZYQBOSA-N 1 1 345.237 4.162 20 10 EICDMO Oc1ccccc1C[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC001203550079 1054652154 /nfs/dbraw/zinc/65/21/54/1054652154.db2.gz GXJHOQRFTFGWEV-MRXNPFEDSA-N 1 1 332.241 4.492 20 10 EICDMO COC1CCN(c2ccc(C[N@H+]3CCCC4(CC4)CC3)cc2)CC1 ZINC000860073953 1054767007 /nfs/dbraw/zinc/76/70/07/1054767007.db2.gz SWZRAPAWZJTGSK-UHFFFAOYSA-N 1 1 328.500 4.068 20 10 EICDMO CC(C)[N@@H+](Cc1cc2c(cc[nH]c2=O)o1)Cc1ccc(N(C)C)cc1 ZINC000876585022 1054931498 /nfs/dbraw/zinc/93/14/98/1054931498.db2.gz WIIUZMVGRUYDLY-UHFFFAOYSA-N 1 1 339.439 4.010 20 10 EICDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(C(F)F)nc1 ZINC000876584662 1054932200 /nfs/dbraw/zinc/93/22/00/1054932200.db2.gz LMKCFTLBGDDYPQ-UHFFFAOYSA-N 1 1 333.426 4.496 20 10 EICDMO Cc1ncc(C[NH2+]Cc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)o1 ZINC000862354425 1055051940 /nfs/dbraw/zinc/05/19/40/1055051940.db2.gz VXSJKRRLGVOWCF-ZDUSSCGKSA-N 1 1 333.863 4.163 20 10 EICDMO COc1c(O)c(C[NH2+][C@@H](c2cccc(C)c2)C(C)C)ccc1[N+](=O)[O-] ZINC000862524610 1055076975 /nfs/dbraw/zinc/07/69/75/1055076975.db2.gz NWSDVKPRTBOOIQ-QGZVFWFLSA-N 1 1 344.411 4.104 20 10 EICDMO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1cc(C)ccc1C ZINC000862528746 1055078420 /nfs/dbraw/zinc/07/84/20/1055078420.db2.gz IAQNHYLGVRJZNN-INIZCTEOSA-N 1 1 344.411 4.167 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1ccco1)Cc1cccc2c1CCOC2 ZINC000878240431 1055216462 /nfs/dbraw/zinc/21/64/62/1055216462.db2.gz HLIPDCNYYITRET-UHFFFAOYSA-N 1 1 349.430 4.260 20 10 EICDMO C[C@@H](C[N@@H+](Cc1ccccc1O)C1CCCC1)NC(=O)OC(C)(C)C ZINC000785453089 1056420981 /nfs/dbraw/zinc/42/09/81/1056420981.db2.gz AYIAUQHXXSZPMG-HNNXBMFYSA-N 1 1 348.487 4.050 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C[C@H](O)c2cccc(Cl)c2)C2CC2)cc1 ZINC000743262364 1058907322 /nfs/dbraw/zinc/90/73/22/1058907322.db2.gz PXNKWNBUUFRCEJ-FQEVSTJZSA-N 1 1 344.886 4.104 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CC[C@H](C)N(Cc3ccccc3)CC2)cc1C ZINC000743404266 1058991583 /nfs/dbraw/zinc/99/15/83/1058991583.db2.gz AUYHRKNLXZWBIJ-IBGZPJMESA-N 1 1 338.495 4.105 20 10 EICDMO Cc1cc(O)c(CN2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc1C ZINC000743404266 1058991594 /nfs/dbraw/zinc/99/15/94/1058991594.db2.gz AUYHRKNLXZWBIJ-IBGZPJMESA-N 1 1 338.495 4.105 20 10 EICDMO Cc1cc(O)c(CN2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cc1C ZINC000743404266 1058991623 /nfs/dbraw/zinc/99/16/23/1058991623.db2.gz AUYHRKNLXZWBIJ-IBGZPJMESA-N 1 1 338.495 4.105 20 10 EICDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccccc1N(C)C ZINC000743841802 1059135286 /nfs/dbraw/zinc/13/52/86/1059135286.db2.gz XMOMIVKWVFMXTL-UHFFFAOYSA-N 1 1 325.500 4.229 20 10 EICDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001169753912 1060940227 /nfs/dbraw/zinc/94/02/27/1060940227.db2.gz DEEOVMGUYGZYSR-HOCLYGCPSA-N 1 1 331.378 4.104 20 10 EICDMO CC(C)c1ncc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000160171938 1018774239 /nfs/dbraw/zinc/77/42/39/1018774239.db2.gz WKMFSLNPBOVBKX-MRXNPFEDSA-N 1 1 346.496 4.153 20 10 EICDMO CC(C)CC[C@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001167906596 1032983030 /nfs/dbraw/zinc/98/30/30/1032983030.db2.gz YBYBOPWBUVILKV-HXUWFJFHSA-N 1 1 330.516 4.314 20 10 EICDMO CCC[N@H+](CCc1cccc(F)c1)Cc1cc(F)cc(C(C)=O)c1O ZINC001167367514 1021763706 /nfs/dbraw/zinc/76/37/06/1021763706.db2.gz LQNQBVMULKPHRC-UHFFFAOYSA-N 1 1 347.405 4.328 20 10 EICDMO CCC[N@@H+](CCc1cccc(F)c1)Cc1cc(F)cc(C(C)=O)c1O ZINC001167367514 1021763723 /nfs/dbraw/zinc/76/37/23/1021763723.db2.gz LQNQBVMULKPHRC-UHFFFAOYSA-N 1 1 347.405 4.328 20 10 EICDMO O=C(CC[N@@H+](Cc1ccco1)Cc1ccccc1O)c1ccccc1 ZINC000182650499 1022821093 /nfs/dbraw/zinc/82/10/93/1022821093.db2.gz XJVMZXQXOPRXJQ-UHFFFAOYSA-N 1 1 335.403 4.260 20 10 EICDMO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)c1 ZINC000363858495 1022863385 /nfs/dbraw/zinc/86/33/85/1022863385.db2.gz DSYFEJVMYUUXIF-VBKZILBWSA-N 1 1 339.414 4.013 20 10 EICDMO C[C@@H]([NH2+]C[C@H]1CCCN(Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000311222993 1023007711 /nfs/dbraw/zinc/00/77/11/1023007711.db2.gz VSSLZPKTRBHDSV-SJLPKXTDSA-N 1 1 342.458 4.094 20 10 EICDMO C[C@@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1cc(Cl)c(Cl)cc1O ZINC000377118412 1023377178 /nfs/dbraw/zinc/37/71/78/1023377178.db2.gz DCDBXJKGSIKJNU-YMTOWFKASA-N 1 1 340.254 4.161 20 10 EICDMO C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000311208057 1023643277 /nfs/dbraw/zinc/64/32/77/1023643277.db2.gz NSJWNWNQGQRNPL-SJLPKXTDSA-N 1 1 342.458 4.094 20 10 EICDMO CC[C@H]([NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1)c1ccccc1O ZINC000364346515 1023655796 /nfs/dbraw/zinc/65/57/96/1023655796.db2.gz IJEZXUWYUAMZRC-FXAWDEMLSA-N 1 1 339.414 4.095 20 10 EICDMO CC[C@H]([NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2)c1ccc(F)cc1O ZINC000796684127 1023951231 /nfs/dbraw/zinc/95/12/31/1023951231.db2.gz PLTLDAFPAUYVER-SJCJKPOMSA-N 1 1 345.414 4.104 20 10 EICDMO CC[N@@H+](Cc1ccccc1O)Cc1cc(OC(F)(F)F)ccc1F ZINC001143545037 1033196291 /nfs/dbraw/zinc/19/62/91/1033196291.db2.gz PRVVXWJGHAZMNF-UHFFFAOYSA-N 1 1 343.320 4.452 20 10 EICDMO COc1ccccc1[C@@H]([NH2+]Cc1cc(C)c(C)cc1O)c1ccco1 ZINC000151119404 1025265484 /nfs/dbraw/zinc/26/54/84/1025265484.db2.gz QNAYXTHIOSXPIH-OAQYLSRUSA-N 1 1 337.419 4.490 20 10 EICDMO COc1ccccc1CC[N@@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000729465351 1026317521 /nfs/dbraw/zinc/31/75/21/1026317521.db2.gz AKLIGVGOPXZSAG-UHFFFAOYSA-N 1 1 343.467 4.078 20 10 EICDMO COc1ccc(N2CCC[N@@H+](CCc3ccccc3Cl)CC2)cc1 ZINC000302995795 1027451971 /nfs/dbraw/zinc/45/19/71/1027451971.db2.gz NGONTDTXVMZRDV-UHFFFAOYSA-N 1 1 344.886 4.103 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1cc(Cl)c(Cl)cc1O ZINC000278300949 1028849543 /nfs/dbraw/zinc/84/95/43/1028849543.db2.gz RVMNXORQXVCTMH-SNVBAGLBSA-N 1 1 340.254 4.011 20 10 EICDMO CC[C@H](c1ccccc1O)[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000367317022 1029338113 /nfs/dbraw/zinc/33/81/13/1029338113.db2.gz GZEWFWDIUVFSHL-VQIMIIECSA-N 1 1 339.483 4.256 20 10 EICDMO COc1ccc(N2CCC(Nc3cc[nH+]c4ccsc43)CC2)cc1 ZINC000301380524 1029720226 /nfs/dbraw/zinc/72/02/26/1029720226.db2.gz YPTDPFWWAADDDF-UHFFFAOYSA-N 1 1 339.464 4.386 20 10 EICDMO CCCN(CCC)c1ccc(C[N@@H+](C)Cc2cccc(=O)[nH]2)cc1 ZINC000897392653 1029973813 /nfs/dbraw/zinc/97/38/13/1029973813.db2.gz JMGIFOBFHXMQDX-UHFFFAOYSA-N 1 1 327.472 4.046 20 10 EICDMO C[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccc(N(C)C)cc1 ZINC000186060055 1030245917 /nfs/dbraw/zinc/24/59/17/1030245917.db2.gz ORIQHYGHUJXQIF-INIZCTEOSA-N 1 1 332.451 4.060 20 10 EICDMO COc1ccc([C@H](C)[NH2+]Cc2c(O)ccc(Cl)c2F)c(OC)c1 ZINC000527779074 1030844441 /nfs/dbraw/zinc/84/44/41/1030844441.db2.gz ANIBXOKKJDNBAG-JTQLQIEISA-N 1 1 339.794 4.053 20 10 EICDMO CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)cc1OC)c1ccc(F)cc1O ZINC000527974621 1030987124 /nfs/dbraw/zinc/98/71/24/1030987124.db2.gz UKGWFJQPORSUFC-YVEFUNNKSA-N 1 1 333.403 4.350 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)c1O ZINC000761193421 1036004791 /nfs/dbraw/zinc/00/47/91/1036004791.db2.gz BLDGATHFOQCRMZ-GOSISDBHSA-N 1 1 347.842 4.018 20 10 EICDMO CC[N@@H+](CCc1cccs1)Cc1cc(Cl)cc(OC)c1O ZINC000761192664 1036005500 /nfs/dbraw/zinc/00/55/00/1036005500.db2.gz XVDMBQAFURMAJK-UHFFFAOYSA-N 1 1 325.861 4.180 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)c1O ZINC000761195222 1036020834 /nfs/dbraw/zinc/02/08/34/1036020834.db2.gz JXQGXEAKYGRKBF-MRXNPFEDSA-N 1 1 333.815 4.097 20 10 EICDMO CCc1ccc([C@H](COC)[NH2+][C@H](C)c2ccc(N(C)CC)cc2)o1 ZINC000165226486 1036728100 /nfs/dbraw/zinc/72/81/00/1036728100.db2.gz LAIXUIPHKCUZEB-BEFAXECRSA-N 1 1 330.472 4.336 20 10 EICDMO CCc1ccc([C@H](COC)[NH2+][C@@H](C)c2ccc(N(C)CC)cc2)o1 ZINC000165226224 1036729683 /nfs/dbraw/zinc/72/96/83/1036729683.db2.gz LAIXUIPHKCUZEB-KXBFYZLASA-N 1 1 330.472 4.336 20 10 EICDMO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2noc(-c3ccccc3)n2)c(O)c1C ZINC000273370078 1037440395 /nfs/dbraw/zinc/44/03/95/1037440395.db2.gz CGPZMZXNHHZREC-GJZGRUSLSA-N 1 1 337.423 4.471 20 10 EICDMO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](c2nccn2C)c2ccc(F)cc2)c1 ZINC000273419027 1037459449 /nfs/dbraw/zinc/45/94/49/1037459449.db2.gz ROVXDHCJJNMCSH-KUHUBIRLSA-N 1 1 339.414 4.013 20 10 EICDMO Cc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(CN(C)C)c2)c(O)c1C ZINC000273609203 1037524087 /nfs/dbraw/zinc/52/40/87/1037524087.db2.gz VGXBECNYAMLDFC-HNNXBMFYSA-N 1 1 330.447 4.061 20 10 EICDMO COC(=O)c1ccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)cc1 ZINC000731847368 1043834459 /nfs/dbraw/zinc/83/44/59/1043834459.db2.gz JNQOQRQCNNFMBK-UHFFFAOYSA-N 1 1 339.435 4.124 20 10 EICDMO Oc1ccc2ccccc2c1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000732202031 1043885370 /nfs/dbraw/zinc/88/53/70/1043885370.db2.gz DYNHJIOAUIXPNH-SFHVURJKSA-N 1 1 325.452 4.469 20 10 EICDMO COc1ccc(OCC[N@@H+](Cc2ccccc2O)C2CCCC2)cc1 ZINC000732205048 1043887147 /nfs/dbraw/zinc/88/71/47/1043887147.db2.gz YHDSMCMPRCOLSS-UHFFFAOYSA-N 1 1 341.451 4.224 20 10 EICDMO CCc1sc(-c2nnc(C[N@H+](C)Cc3ccccc3O)o2)cc1C ZINC000732203042 1043887458 /nfs/dbraw/zinc/88/74/58/1043887458.db2.gz MKDPLOYDEILPTC-UHFFFAOYSA-N 1 1 343.452 4.007 20 10 EICDMO CCc1sc(-c2nnc(C[N@@H+](C)Cc3ccccc3O)o2)cc1C ZINC000732203042 1043887462 /nfs/dbraw/zinc/88/74/62/1043887462.db2.gz MKDPLOYDEILPTC-UHFFFAOYSA-N 1 1 343.452 4.007 20 10 EICDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(C)cc(C)c2O)c(OC)c1 ZINC000732487105 1043924553 /nfs/dbraw/zinc/92/45/53/1043924553.db2.gz HUOYENOTGILZOE-LJQANCHMSA-N 1 1 341.451 4.363 20 10 EICDMO Cc1ccccc1C[C@@H]1CCC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000734143824 1044502096 /nfs/dbraw/zinc/50/20/96/1044502096.db2.gz HYEBHLVYMQFQMW-IBGZPJMESA-N 1 1 332.447 4.456 20 10 EICDMO Oc1ccc2ccncc2c1C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000736589208 1044957360 /nfs/dbraw/zinc/95/73/60/1044957360.db2.gz DONJKCPSQSJTTA-MRXNPFEDSA-N 1 1 336.410 4.144 20 10 EICDMO CN(C)C[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC000738228244 1045046056 /nfs/dbraw/zinc/04/60/56/1045046056.db2.gz USJIRVWIGVBVEK-MRXNPFEDSA-N 1 1 346.559 4.371 20 10 EICDMO CN(C)C[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC000738228244 1045046069 /nfs/dbraw/zinc/04/60/69/1045046069.db2.gz USJIRVWIGVBVEK-MRXNPFEDSA-N 1 1 346.559 4.371 20 10 EICDMO C[NH+](C)C[C@H]1CCN(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC000738228244 1045046083 /nfs/dbraw/zinc/04/60/83/1045046083.db2.gz USJIRVWIGVBVEK-MRXNPFEDSA-N 1 1 346.559 4.371 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1C ZINC000738269397 1045049402 /nfs/dbraw/zinc/04/94/02/1045049402.db2.gz NAAFFRDWMFJULI-QGZVFWFLSA-N 1 1 341.426 4.243 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CCS[C@H](c3ccccc3)C1)CCC2 ZINC000738247782 1045051568 /nfs/dbraw/zinc/05/15/68/1045051568.db2.gz YYXMAHSLLNODBE-FQEVSTJZSA-N 1 1 325.477 4.171 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H](C)c2ccc(C(=O)OC)o2)cc1 ZINC000738299846 1045055293 /nfs/dbraw/zinc/05/52/93/1045055293.db2.gz RDXPNMDWVYKMNP-OAHLLOKOSA-N 1 1 344.455 4.105 20 10 EICDMO Cn1c2ccccc2nc1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000738300203 1045057045 /nfs/dbraw/zinc/05/70/45/1045057045.db2.gz USRWCPCVIBCSAD-UHFFFAOYSA-N 1 1 348.494 4.196 20 10 EICDMO Cn1c2ccccc2nc1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000738300203 1045057057 /nfs/dbraw/zinc/05/70/57/1045057057.db2.gz USRWCPCVIBCSAD-UHFFFAOYSA-N 1 1 348.494 4.196 20 10 EICDMO Cc1cc(C)c(O)c(C[N@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000767501922 1045545712 /nfs/dbraw/zinc/54/57/12/1045545712.db2.gz IUVPKHOYEPIWES-GOSISDBHSA-N 1 1 331.843 4.236 20 10 EICDMO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000767501922 1045545700 /nfs/dbraw/zinc/54/57/00/1045545700.db2.gz IUVPKHOYEPIWES-GOSISDBHSA-N 1 1 331.843 4.236 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccc(Br)cc1 ZINC000790959415 1045638230 /nfs/dbraw/zinc/63/82/30/1045638230.db2.gz WLFJSRJYDJKPSI-UHFFFAOYSA-N 1 1 344.611 4.237 20 10 EICDMO CCC(CC)[C@H]1C[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000790991581 1045647367 /nfs/dbraw/zinc/64/73/67/1045647367.db2.gz XWCQMNJLZDLHFS-BLLLJJGKSA-N 1 1 329.843 4.258 20 10 EICDMO CCC(CC)[C@H]1C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000790991587 1045648151 /nfs/dbraw/zinc/64/81/51/1045648151.db2.gz XWCQMNJLZDLHFS-MLGOLLRUSA-N 1 1 329.843 4.258 20 10 EICDMO Cc1cc(F)ccc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000768163466 1045730270 /nfs/dbraw/zinc/73/02/70/1045730270.db2.gz YZZNFZMWHHVZFI-LJQANCHMSA-N 1 1 329.415 4.021 20 10 EICDMO COc1cccc(O)c1C[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000768170144 1045736938 /nfs/dbraw/zinc/73/69/38/1045736938.db2.gz LCTRKAMHFNRXCQ-UHFFFAOYSA-N 1 1 326.223 4.340 20 10 EICDMO COc1cccc(O)c1C[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000768170144 1045736954 /nfs/dbraw/zinc/73/69/54/1045736954.db2.gz LCTRKAMHFNRXCQ-UHFFFAOYSA-N 1 1 326.223 4.340 20 10 EICDMO CCOc1ccc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c(O)c1 ZINC000768202881 1045740445 /nfs/dbraw/zinc/74/04/45/1045740445.db2.gz CPEOFRQIMZQKAX-KRWDZBQOSA-N 1 1 347.480 4.034 20 10 EICDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1c(O)cccc1Cl ZINC000768204217 1045744558 /nfs/dbraw/zinc/74/45/58/1045744558.db2.gz SHIUSYXCIZLEND-UHFFFAOYSA-N 1 1 335.831 4.085 20 10 EICDMO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000768225996 1045756734 /nfs/dbraw/zinc/75/67/34/1045756734.db2.gz XPENZHMCZVYKKJ-LLVKDONJSA-N 1 1 343.418 4.387 20 10 EICDMO COc1cccc(O)c1C[N@@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000768258674 1045767087 /nfs/dbraw/zinc/76/70/87/1045767087.db2.gz VIVJIIAIIKTKCH-CZUORRHYSA-N 1 1 327.424 4.282 20 10 EICDMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2cc3c(cc2O)OCO3)C2CC2)o1 ZINC000768258145 1045769895 /nfs/dbraw/zinc/76/98/95/1045769895.db2.gz QQPLYMUIUSWUSV-WBMJQRKESA-N 1 1 341.407 4.002 20 10 EICDMO C[C@H](c1ccccc1F)[N@H+](C)Cc1cccc(Br)c1O ZINC000768265245 1045772115 /nfs/dbraw/zinc/77/21/15/1045772115.db2.gz SVEMGVPUQAVMPG-LLVKDONJSA-N 1 1 338.220 4.487 20 10 EICDMO C[C@H](c1ccccc1F)[N@@H+](C)Cc1cccc(Br)c1O ZINC000768265245 1045772136 /nfs/dbraw/zinc/77/21/36/1045772136.db2.gz SVEMGVPUQAVMPG-LLVKDONJSA-N 1 1 338.220 4.487 20 10 EICDMO CCC[N@@H+](Cc1ccc(C)cc1)Cc1cc(OC)c(OC)cc1O ZINC000768440454 1045807119 /nfs/dbraw/zinc/80/71/19/1045807119.db2.gz WHGUNQPKRVQVHY-UHFFFAOYSA-N 1 1 329.440 4.130 20 10 EICDMO CCC[N@@H+](Cc1cc2c(cc1O)OCO2)[C@@H](C)c1ccccc1OC ZINC000768479526 1045810212 /nfs/dbraw/zinc/81/02/12/1045810212.db2.gz RZZHHOSCZYQFLK-AWEZNQCLSA-N 1 1 343.423 4.103 20 10 EICDMO COc1cc(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c(O)cc1C ZINC000768461809 1045810581 /nfs/dbraw/zinc/81/05/81/1045810581.db2.gz FGKSTNSRZLSFKQ-OAHLLOKOSA-N 1 1 347.842 4.016 20 10 EICDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)C[C@H](c2ccsc2)O1 ZINC000768465324 1045811340 /nfs/dbraw/zinc/81/13/40/1045811340.db2.gz ZQSKZGNSWAZESQ-JLTOFOAXSA-N 1 1 343.492 4.295 20 10 EICDMO CCOc1cccc(C[N@@H+](CCOC)[C@H](C)c2ccccc2)c1O ZINC000768597672 1045825454 /nfs/dbraw/zinc/82/54/54/1045825454.db2.gz STYCGPKYWMSYDL-MRXNPFEDSA-N 1 1 329.440 4.001 20 10 EICDMO Cc1ccc(O)c(C[N@@H+](C)Cc2cc(Br)cs2)c1 ZINC000768815936 1045845598 /nfs/dbraw/zinc/84/55/98/1045845598.db2.gz NFLORGLYBOAXNW-UHFFFAOYSA-N 1 1 326.259 4.157 20 10 EICDMO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000768824714 1045847180 /nfs/dbraw/zinc/84/71/80/1045847180.db2.gz GPRLLTMDATXYBP-IBGZPJMESA-N 1 1 342.508 4.094 20 10 EICDMO CCCOc1c(Cl)cc(C[N@@H+](C)Cc2ccccc2O)cc1OC ZINC000768872085 1045849403 /nfs/dbraw/zinc/84/94/03/1045849403.db2.gz BWKZBKVFCUITIE-UHFFFAOYSA-N 1 1 349.858 4.475 20 10 EICDMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(N3CCCCC3)cc2)on1 ZINC000768879824 1045853054 /nfs/dbraw/zinc/85/30/54/1045853054.db2.gz YVXSBNWXQBYKPW-LJQANCHMSA-N 1 1 325.456 4.310 20 10 EICDMO Cc1ccc(O)c(C[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)c1 ZINC000768909431 1045858666 /nfs/dbraw/zinc/85/86/66/1045858666.db2.gz JTOALYUTHRRCGA-UHFFFAOYSA-N 1 1 335.451 4.155 20 10 EICDMO Cn1nccc1[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000768939903 1045862710 /nfs/dbraw/zinc/86/27/10/1045862710.db2.gz FKVJYSXZTYSHBU-IBGZPJMESA-N 1 1 347.462 4.172 20 10 EICDMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1c([O-])ccc(Cl)c1F)CCC2 ZINC000792166585 1045869799 /nfs/dbraw/zinc/86/97/99/1045869799.db2.gz ULJVWRYFOMBZAY-CYBMUJFWSA-N 1 1 340.851 4.459 20 10 EICDMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1c(O)ccc(Cl)c1F)CCC2 ZINC000792166585 1045869804 /nfs/dbraw/zinc/86/98/04/1045869804.db2.gz ULJVWRYFOMBZAY-CYBMUJFWSA-N 1 1 340.851 4.459 20 10 EICDMO [O-]c1ccc(Cl)c(F)c1C[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000792164739 1045870062 /nfs/dbraw/zinc/87/00/62/1045870062.db2.gz DHVYYRKAVKBXMC-QGZVFWFLSA-N 1 1 349.833 4.057 20 10 EICDMO OCCC[N@H+](Cc1c(O)ccc(Cl)c1F)[C@@H]1CCc2ccccc21 ZINC000792164739 1045870071 /nfs/dbraw/zinc/87/00/71/1045870071.db2.gz DHVYYRKAVKBXMC-QGZVFWFLSA-N 1 1 349.833 4.057 20 10 EICDMO OCCC[N@@H+](Cc1c(O)ccc(Cl)c1F)[C@@H]1CCc2ccccc21 ZINC000792164739 1045870074 /nfs/dbraw/zinc/87/00/74/1045870074.db2.gz DHVYYRKAVKBXMC-QGZVFWFLSA-N 1 1 349.833 4.057 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000792173340 1045872426 /nfs/dbraw/zinc/87/24/26/1045872426.db2.gz BAPLRDUKOYQYGY-UHFFFAOYSA-N 1 1 334.822 4.034 20 10 EICDMO CCC[N@@H+](Cc1cn(-c2ccccc2)nc1C)Cc1ccccc1O ZINC000769200619 1045892823 /nfs/dbraw/zinc/89/28/23/1045892823.db2.gz DAKINZBBSHZQNH-UHFFFAOYSA-N 1 1 335.451 4.299 20 10 EICDMO Oc1ccc(Cl)cc1C[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000769245418 1045899892 /nfs/dbraw/zinc/89/98/92/1045899892.db2.gz RJICKKCUSYESAJ-PKOBYXMFSA-N 1 1 331.843 4.134 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)cc1C ZINC000769245777 1045901984 /nfs/dbraw/zinc/90/19/84/1045901984.db2.gz WVGSJZUBDPHKED-CTNGQTDRSA-N 1 1 325.452 4.097 20 10 EICDMO COCc1ccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)cc1 ZINC000769384838 1045944606 /nfs/dbraw/zinc/94/46/06/1045944606.db2.gz PTABCTPCXJPQMK-UHFFFAOYSA-N 1 1 325.452 4.483 20 10 EICDMO COc1cccc(C[N@@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)c1O ZINC000769457874 1045979291 /nfs/dbraw/zinc/97/92/91/1045979291.db2.gz QTPBFUPKGUCUMC-MRXNPFEDSA-N 1 1 349.883 4.344 20 10 EICDMO COc1cccc(C[N@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)c1O ZINC000769457874 1045979302 /nfs/dbraw/zinc/97/93/02/1045979302.db2.gz QTPBFUPKGUCUMC-MRXNPFEDSA-N 1 1 349.883 4.344 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)CCc2ncc(C)s2)cc1F ZINC000769525287 1046007095 /nfs/dbraw/zinc/00/70/95/1046007095.db2.gz RXQLDZVEPBBLKY-UHFFFAOYSA-N 1 1 335.492 4.111 20 10 EICDMO CCN(Cc1ccccc1)c1ccc(C[N@@H+](C)C[C@@H]2CCOC2)cc1 ZINC000769534141 1046010759 /nfs/dbraw/zinc/01/07/59/1046010759.db2.gz SAQIDDSKOXCKLJ-NRFANRHFSA-N 1 1 338.495 4.181 20 10 EICDMO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000770289725 1046169451 /nfs/dbraw/zinc/16/94/51/1046169451.db2.gz GZQOYDCAZTZXCE-WBMJQRKESA-N 1 1 337.872 4.195 20 10 EICDMO COc1ccc(C[N@@H+](CCc2ccccn2)Cc2ccccc2O)cc1 ZINC000793348281 1046224038 /nfs/dbraw/zinc/22/40/38/1046224038.db2.gz HZLBXBSKCYYHEK-UHFFFAOYSA-N 1 1 348.446 4.041 20 10 EICDMO C[C@@]12CC[N@@H+](Cc3c4c(ccc3O)oc3c4CCCC3)C[C@@H]1C2(F)F ZINC000793522607 1046262544 /nfs/dbraw/zinc/26/25/44/1046262544.db2.gz DSCFEHPAZBYVFS-PKOBYXMFSA-N 1 1 347.405 4.494 20 10 EICDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cnc(C(C)(C)C)nc1 ZINC000793583152 1046297951 /nfs/dbraw/zinc/29/79/51/1046297951.db2.gz AJHXZNFGVVXTST-UHFFFAOYSA-N 1 1 340.515 4.251 20 10 EICDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](C)c1ncc(C)o1 ZINC000771446394 1046407205 /nfs/dbraw/zinc/40/72/05/1046407205.db2.gz KZUKPLZFNNDMKJ-NSHDSACASA-N 1 1 339.233 4.034 20 10 EICDMO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)c1ncc(C)o1 ZINC000771446394 1046407191 /nfs/dbraw/zinc/40/71/91/1046407191.db2.gz KZUKPLZFNNDMKJ-NSHDSACASA-N 1 1 339.233 4.034 20 10 EICDMO CC(C)[N@@H+](Cc1nc2ccccc2n1C)Cc1ccc(N(C)C)cc1 ZINC000771790885 1046491812 /nfs/dbraw/zinc/49/18/12/1046491812.db2.gz ISNNZUYMPOUIEY-UHFFFAOYSA-N 1 1 336.483 4.050 20 10 EICDMO CCCn1c2ccccc2nc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000771935118 1046528160 /nfs/dbraw/zinc/52/81/60/1046528160.db2.gz IWTDGMOZZSXWNZ-UHFFFAOYSA-N 1 1 336.483 4.144 20 10 EICDMO CCCn1c2ccccc2nc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000771935118 1046528169 /nfs/dbraw/zinc/52/81/69/1046528169.db2.gz IWTDGMOZZSXWNZ-UHFFFAOYSA-N 1 1 336.483 4.144 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)Cc2cnc(C3CCCC3)s2)cc1 ZINC000771934877 1046529587 /nfs/dbraw/zinc/52/95/87/1046529587.db2.gz FBHYAOZATZXCIF-UHFFFAOYSA-N 1 1 329.513 4.499 20 10 EICDMO CCN(CC)c1ccc(C[N@H+](C)Cc2cn3c(cccc3C)n2)cc1 ZINC000917019413 1046563975 /nfs/dbraw/zinc/56/39/75/1046563975.db2.gz FOELSXFDPYNGSS-UHFFFAOYSA-N 1 1 336.483 4.121 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cn3c(cccc3C)n2)cc1 ZINC000917019413 1046563990 /nfs/dbraw/zinc/56/39/90/1046563990.db2.gz FOELSXFDPYNGSS-UHFFFAOYSA-N 1 1 336.483 4.121 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2ccc(-n3cccn3)cc2)C2CC2)cc1 ZINC000917073926 1046634756 /nfs/dbraw/zinc/63/47/56/1046634756.db2.gz IEDMFWBUQFOKLP-UHFFFAOYSA-N 1 1 346.478 4.103 20 10 EICDMO Cc1cscc1C[NH2+]Cc1cc(C)cc(Br)c1O ZINC000785521360 1046703848 /nfs/dbraw/zinc/70/38/48/1046703848.db2.gz JGKOHNCSZLQOJE-UHFFFAOYSA-N 1 1 326.259 4.123 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1sccc1Cl)C[C@H]1CCCO1 ZINC000787049003 1046900796 /nfs/dbraw/zinc/90/07/96/1046900796.db2.gz IVIWEEYEPDJKHN-CQSZACIVSA-N 1 1 337.872 4.288 20 10 EICDMO CCC[N@@H+](Cc1cc(C)ccc1O)[C@@H](C)C(=O)Nc1ccccc1C ZINC000787331802 1046981186 /nfs/dbraw/zinc/98/11/86/1046981186.db2.gz GTHIJRZEWUENRP-KRWDZBQOSA-N 1 1 340.467 4.248 20 10 EICDMO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000805833823 1047023487 /nfs/dbraw/zinc/02/34/87/1047023487.db2.gz AYDALWWQZIAKGQ-GOSISDBHSA-N 1 1 345.414 4.326 20 10 EICDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000746714526 1047068331 /nfs/dbraw/zinc/06/83/31/1047068331.db2.gz UAAWXFFTFUDOJG-IBGZPJMESA-N 1 1 325.452 4.225 20 10 EICDMO C[C@@H]([NH2+]CCc1ccccc1OC(F)F)c1ccc(F)cc1O ZINC000788258039 1047142844 /nfs/dbraw/zinc/14/28/44/1047142844.db2.gz FCQJDNHCHIUNEO-LLVKDONJSA-N 1 1 325.330 4.026 20 10 EICDMO CC[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1ccc(F)cc1O ZINC000806177014 1047162158 /nfs/dbraw/zinc/16/21/58/1047162158.db2.gz RXHBATIXPDOBOD-IAGOWNOFSA-N 1 1 337.822 4.349 20 10 EICDMO COc1ccc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)c(F)c1 ZINC000788671124 1047268775 /nfs/dbraw/zinc/26/87/75/1047268775.db2.gz WIDHZICGKICZEE-SNVBAGLBSA-N 1 1 343.320 4.410 20 10 EICDMO C[N@@H+](Cc1cccc(Br)c1)Cc1cc2c(cc1O)CCC2 ZINC000918182483 1047371280 /nfs/dbraw/zinc/37/12/80/1047371280.db2.gz RWAVGPNSONUHKN-UHFFFAOYSA-N 1 1 346.268 4.275 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1cc2ccccc2[nH]1)C[C@H]1CCCO1 ZINC000789722572 1047468691 /nfs/dbraw/zinc/46/86/91/1047468691.db2.gz MLXUKJZPQZXXEE-LJQANCHMSA-N 1 1 336.435 4.055 20 10 EICDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2cc(Br)ccc2O)n1 ZINC000093444905 1047547278 /nfs/dbraw/zinc/54/72/78/1047547278.db2.gz UOHJBMPQKWGIEI-MRXNPFEDSA-N 1 1 347.256 4.195 20 10 EICDMO C[C@H]1OC2(CC[NH+](Cc3cc(F)c(F)cc3O)CC2)c2ccccc21 ZINC001142534530 1047556516 /nfs/dbraw/zinc/55/65/16/1047556516.db2.gz MNEYCQIZUSGBPJ-CYBMUJFWSA-N 1 1 345.389 4.253 20 10 EICDMO COc1ccc(CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c(O)c1 ZINC000824320114 1047853774 /nfs/dbraw/zinc/85/37/74/1047853774.db2.gz DIAXTDWQZVAHIM-UHFFFAOYSA-N 1 1 348.531 4.170 20 10 EICDMO Cc1ccoc1C[N@@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000814174298 1047867095 /nfs/dbraw/zinc/86/70/95/1047867095.db2.gz CKXWYZMOFIHHHH-UHFFFAOYSA-N 1 1 343.427 4.119 20 10 EICDMO Cc1ccoc1C[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000814174298 1047867097 /nfs/dbraw/zinc/86/70/97/1047867097.db2.gz CKXWYZMOFIHHHH-UHFFFAOYSA-N 1 1 343.427 4.119 20 10 EICDMO Oc1cc2c(cc1O)C[N@H+]([C@@H]1CCc3c(Cl)cccc3C1)CCC2 ZINC001171057004 1047877577 /nfs/dbraw/zinc/87/75/77/1047877577.db2.gz ROCLDGJSNDXRED-MRXNPFEDSA-N 1 1 343.854 4.057 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2c3ccccc3O[C@H]2C)c1 ZINC000808444599 1047907679 /nfs/dbraw/zinc/90/76/79/1047907679.db2.gz OUXMLMXBFRSWLU-ZBEGNZNMSA-N 1 1 348.240 4.075 20 10 EICDMO CC[C@H]([NH2+]Cc1nn(C)cc1Cl)c1ccc(C(F)(F)F)cc1O ZINC000824758170 1047942737 /nfs/dbraw/zinc/94/27/37/1047942737.db2.gz MHISAKRJLFJVDH-LBPRGKRZSA-N 1 1 347.768 4.039 20 10 EICDMO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2nc(C)c3ccccc3n2)c1O ZINC000808691575 1048038796 /nfs/dbraw/zinc/03/87/96/1048038796.db2.gz SRJLSHPOIYOCFN-GFCCVEGCSA-N 1 1 341.842 4.456 20 10 EICDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000808761932 1048090561 /nfs/dbraw/zinc/09/05/61/1048090561.db2.gz VACROGMVCFKRBN-IBGZPJMESA-N 1 1 345.414 4.326 20 10 EICDMO C[C@H](c1ccccc1)[N@H+](Cc1cc2n(n1)CCC2)Cc1ccccc1O ZINC000844314724 1048292706 /nfs/dbraw/zinc/29/27/06/1048292706.db2.gz VHEKCTIRMHSQSN-QGZVFWFLSA-N 1 1 347.462 4.298 20 10 EICDMO C[C@H](c1ccccc1)[N@@H+](Cc1cc2n(n1)CCC2)Cc1ccccc1O ZINC000844314724 1048292719 /nfs/dbraw/zinc/29/27/19/1048292719.db2.gz VHEKCTIRMHSQSN-QGZVFWFLSA-N 1 1 347.462 4.298 20 10 EICDMO COc1cccc(C[N@@H+]2C[C@@H](C)CC[C@H]2c2ccccc2OC)c1O ZINC000809694677 1048458231 /nfs/dbraw/zinc/45/82/31/1048458231.db2.gz SYNLHHUHYLDHLB-YJBOKZPZSA-N 1 1 341.451 4.383 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000809728630 1048476295 /nfs/dbraw/zinc/47/62/95/1048476295.db2.gz DETIQTBOZQIMPE-MRXNPFEDSA-N 1 1 347.256 4.195 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000809728630 1048476309 /nfs/dbraw/zinc/47/63/09/1048476309.db2.gz DETIQTBOZQIMPE-MRXNPFEDSA-N 1 1 347.256 4.195 20 10 EICDMO Oc1c(Br)cccc1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000809688817 1048479011 /nfs/dbraw/zinc/47/90/11/1048479011.db2.gz PQGYORSLSGJQMY-UHFFFAOYSA-N 1 1 334.213 4.037 20 10 EICDMO Oc1c(Br)cccc1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000809688817 1048479025 /nfs/dbraw/zinc/47/90/25/1048479025.db2.gz PQGYORSLSGJQMY-UHFFFAOYSA-N 1 1 334.213 4.037 20 10 EICDMO Cc1ncsc1C[N@@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000809731397 1048481483 /nfs/dbraw/zinc/48/14/83/1048481483.db2.gz HPBRNASFEBULBQ-UHFFFAOYSA-N 1 1 341.480 4.313 20 10 EICDMO Cc1ncsc1C[N@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000809731397 1048481489 /nfs/dbraw/zinc/48/14/89/1048481489.db2.gz HPBRNASFEBULBQ-UHFFFAOYSA-N 1 1 341.480 4.313 20 10 EICDMO Cc1noc([C@@H]2CCCC[N@H+]2Cc2cc(-c3ccccc3)ccc2O)n1 ZINC000809719021 1048495976 /nfs/dbraw/zinc/49/59/76/1048495976.db2.gz VBKJALDKBFTSGF-IBGZPJMESA-N 1 1 349.434 4.478 20 10 EICDMO CC[N@@H+](Cc1ccncc1)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809726362 1048499064 /nfs/dbraw/zinc/49/90/64/1048499064.db2.gz HIRRAHNNOPQHLK-UHFFFAOYSA-N 1 1 337.389 4.189 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)cc1F ZINC000809768567 1048502749 /nfs/dbraw/zinc/50/27/49/1048502749.db2.gz OUXQDVCUZXJRPX-LJQANCHMSA-N 1 1 344.478 4.349 20 10 EICDMO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1cccc(C(F)(F)F)c1O ZINC000815556518 1048508283 /nfs/dbraw/zinc/50/82/83/1048508283.db2.gz XGAYQKIBWWSZNL-AAEUAGOBSA-N 1 1 337.341 4.065 20 10 EICDMO CC(C)c1cc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)on1 ZINC000815580113 1048520118 /nfs/dbraw/zinc/52/01/18/1048520118.db2.gz CJVHEFRJGUACJJ-JTQLQIEISA-N 1 1 328.334 4.373 20 10 EICDMO CCOc1cccc(C[N@H+]2CCCCC[C@H]2c2c(C)n[nH]c2C)c1O ZINC000809757650 1048521756 /nfs/dbraw/zinc/52/17/56/1048521756.db2.gz QLGVLTQKEFPTBF-KRWDZBQOSA-N 1 1 343.471 4.248 20 10 EICDMO Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815585520 1048522399 /nfs/dbraw/zinc/52/23/99/1048522399.db2.gz JYSKPLGQRXCFNU-LRDDRELGSA-N 1 1 339.357 4.104 20 10 EICDMO CC[C@H](c1ccncc1)[N@@H+](C)Cc1cc(Br)ccc1O ZINC000809766024 1048526294 /nfs/dbraw/zinc/52/62/94/1048526294.db2.gz SJKLGFPAZVRBMB-OAHLLOKOSA-N 1 1 335.245 4.133 20 10 EICDMO CCOc1ccc(O)c(C[N@@H+](C)[C@H](CC)c2cccc(OC)c2)c1 ZINC000809783402 1048529670 /nfs/dbraw/zinc/52/96/70/1048529670.db2.gz BIMYBFWIHBHJOQ-LJQANCHMSA-N 1 1 329.440 4.383 20 10 EICDMO CC[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccc(F)cc1O ZINC000815645619 1048571180 /nfs/dbraw/zinc/57/11/80/1048571180.db2.gz LHCMRWSJXVLRCF-OAHLLOKOSA-N 1 1 342.336 4.229 20 10 EICDMO C[N@@H+](Cc1c(O)cc(O)cc1O)C(c1ccccc1)c1ccccc1 ZINC001144500634 1048699626 /nfs/dbraw/zinc/69/96/26/1048699626.db2.gz XBNYHOQGYVWKBO-UHFFFAOYSA-N 1 1 335.403 4.025 20 10 EICDMO CC[C@]1(C[NH2+][C@@H](C)c2ccc(F)cc2O)OCCc2ccccc21 ZINC000810243775 1048726242 /nfs/dbraw/zinc/72/62/42/1048726242.db2.gz UEHKQEQFHLNIEK-VBKZILBWSA-N 1 1 329.415 4.060 20 10 EICDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccccc1-c1ccnn1C ZINC000816480591 1048811016 /nfs/dbraw/zinc/81/10/16/1048811016.db2.gz QJJNIPCZOWXCRI-UHFFFAOYSA-N 1 1 348.494 4.175 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000816520032 1048820623 /nfs/dbraw/zinc/82/06/23/1048820623.db2.gz DLLGQXJFNFVJJR-UHFFFAOYSA-N 1 1 325.733 4.349 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000816520032 1048820625 /nfs/dbraw/zinc/82/06/25/1048820625.db2.gz DLLGQXJFNFVJJR-UHFFFAOYSA-N 1 1 325.733 4.349 20 10 EICDMO COc1cccc([C@@H](C)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1O ZINC000846148406 1048823224 /nfs/dbraw/zinc/82/32/24/1048823224.db2.gz YUWLUQPALIURAB-JKSUJKDBSA-N 1 1 342.483 4.181 20 10 EICDMO COc1cccc([C@@H](C)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c1O ZINC000846148405 1048823519 /nfs/dbraw/zinc/82/35/19/1048823519.db2.gz YUWLUQPALIURAB-HZPDHXFCSA-N 1 1 342.483 4.181 20 10 EICDMO CCCOCc1ccccc1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816536090 1048825577 /nfs/dbraw/zinc/82/55/77/1048825577.db2.gz LVWHWKOPAZSVIJ-UHFFFAOYSA-N 1 1 337.822 4.401 20 10 EICDMO CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816548255 1048827969 /nfs/dbraw/zinc/82/79/69/1048827969.db2.gz AWOVILUWALJVRN-UHFFFAOYSA-N 1 1 334.463 4.287 20 10 EICDMO CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816548255 1048827973 /nfs/dbraw/zinc/82/79/73/1048827973.db2.gz AWOVILUWALJVRN-UHFFFAOYSA-N 1 1 334.463 4.287 20 10 EICDMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816571062 1048839506 /nfs/dbraw/zinc/83/95/06/1048839506.db2.gz QTFMNJRDUVMTEZ-SNVBAGLBSA-N 1 1 339.842 4.295 20 10 EICDMO C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])cc1 ZINC000817962549 1049069062 /nfs/dbraw/zinc/06/90/62/1049069062.db2.gz KAZMONNIHMHJKZ-RYUDHWBXSA-N 1 1 349.272 4.025 20 10 EICDMO C[C@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000817987209 1049080770 /nfs/dbraw/zinc/08/07/70/1049080770.db2.gz YHBIBALJIAECOQ-ICSRJNTNSA-N 1 1 341.543 4.392 20 10 EICDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811518412 1049103579 /nfs/dbraw/zinc/10/35/79/1049103579.db2.gz JPAHZSBVCAAWGC-RTWAWAEBSA-N 1 1 340.511 4.210 20 10 EICDMO COc1cc(C)cc(C[N@@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)c1O ZINC000812296525 1049433243 /nfs/dbraw/zinc/43/32/43/1049433243.db2.gz AMIZYEWTFPOJCA-KGLIPLIRSA-N 1 1 331.378 4.262 20 10 EICDMO CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1ccc(F)cc1O ZINC000812735668 1049553972 /nfs/dbraw/zinc/55/39/72/1049553972.db2.gz FENXGMRFENBIME-KBXCAEBGSA-N 1 1 346.421 4.238 20 10 EICDMO CCN(C)c1ccc([C@H](C)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000773076552 1049566675 /nfs/dbraw/zinc/56/66/75/1049566675.db2.gz ODOMQSSITKGDTM-OALUTQOASA-N 1 1 331.548 4.161 20 10 EICDMO CCN(C)c1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000773076552 1049566695 /nfs/dbraw/zinc/56/66/95/1049566695.db2.gz ODOMQSSITKGDTM-OALUTQOASA-N 1 1 331.548 4.161 20 10 EICDMO Cc1nc2ccccc2n1CCCCC[N@H+](C)Cc1ccccc1O ZINC000812829634 1049600009 /nfs/dbraw/zinc/60/00/09/1049600009.db2.gz IWQOKNISMYDIAB-UHFFFAOYSA-N 1 1 337.467 4.353 20 10 EICDMO Cc1cc(Cl)cc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1O ZINC000822530342 1049768222 /nfs/dbraw/zinc/76/82/22/1049768222.db2.gz YDKFKAKVHXBDPP-SFHVURJKSA-N 1 1 335.875 4.135 20 10 EICDMO CC[N@@H+](Cc1ccccc1O)C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171929453 1049829363 /nfs/dbraw/zinc/82/93/63/1049829363.db2.gz GQQHHDDQVHPAHM-UHFFFAOYSA-N 1 1 333.472 4.115 20 10 EICDMO COc1cc(C[N@@H+](C)Cc2cccc(C)c2O)c(SC)cc1OC ZINC000180404149 1049890009 /nfs/dbraw/zinc/89/00/09/1049890009.db2.gz FERNQBGMBMVSPG-UHFFFAOYSA-N 1 1 347.480 4.072 20 10 EICDMO Cc1ccsc1C[NH2+]Cc1cc(C)cc(Br)c1O ZINC001177542287 1050249632 /nfs/dbraw/zinc/24/96/32/1050249632.db2.gz MLOSBIFNZYBYAV-UHFFFAOYSA-N 1 1 326.259 4.123 20 10 EICDMO C[N@@H+](CC/C=C/c1cccnc1)Cc1cc(Br)ccc1O ZINC001203650396 1050454510 /nfs/dbraw/zinc/45/45/10/1050454510.db2.gz RXFJNSTZKCWOHJ-GORDUTHDSA-N 1 1 347.256 4.085 20 10 EICDMO CCN(C)c1ccc(C[N@@H+](C)[C@@H]2CCCc3nc(C)sc32)cc1 ZINC000773770904 1050555096 /nfs/dbraw/zinc/55/50/96/1050555096.db2.gz FLVBKXGEEJNRFQ-GOSISDBHSA-N 1 1 329.513 4.417 20 10 EICDMO CC[C@@H]([NH2+]Cc1cc(C)cc(Br)c1O)[C@H]1CC1(C)C ZINC001178978219 1050591812 /nfs/dbraw/zinc/59/18/12/1050591812.db2.gz VJACBSHRYCFYAX-TZMCWYRMSA-N 1 1 326.278 4.377 20 10 EICDMO Cc1ccc2oc(C[NH2+]Cc3cccc(Br)c3O)cc2c1 ZINC000775152191 1050643606 /nfs/dbraw/zinc/64/36/06/1050643606.db2.gz MHDPLOWRTDSYNL-UHFFFAOYSA-N 1 1 346.224 4.499 20 10 EICDMO Cc1cc(C)c(C[NH2+]Cc2cccc(Br)c2O)cc1C ZINC000775151048 1050644067 /nfs/dbraw/zinc/64/40/67/1050644067.db2.gz DWHTYGFXQRYOLP-UHFFFAOYSA-N 1 1 334.257 4.370 20 10 EICDMO CCN(C)c1ccc(C[N@H+](Cc2ccco2)Cc2cccnc2)cc1 ZINC000773816342 1050715832 /nfs/dbraw/zinc/71/58/32/1050715832.db2.gz GAHDSTPVJWRNML-UHFFFAOYSA-N 1 1 335.451 4.333 20 10 EICDMO CCN(C)c1ccc(C[N@@H+](Cc2ccco2)Cc2cccnc2)cc1 ZINC000773816342 1050715842 /nfs/dbraw/zinc/71/58/42/1050715842.db2.gz GAHDSTPVJWRNML-UHFFFAOYSA-N 1 1 335.451 4.333 20 10 EICDMO COc1cccc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)c1F ZINC001179845357 1050795418 /nfs/dbraw/zinc/79/54/18/1050795418.db2.gz QOVZWAZAPRKIHQ-UHFFFAOYSA-N 1 1 342.458 4.457 20 10 EICDMO Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cc(Cl)c(C)cc2O)n1 ZINC001179937841 1050824577 /nfs/dbraw/zinc/82/45/77/1050824577.db2.gz PNRDHGDWWVXOFK-MRXNPFEDSA-N 1 1 345.874 4.134 20 10 EICDMO COc1ccc(C[C@H]2CC[N@H+]2C/C=C\c2ccc(N(C)C)cc2)cc1 ZINC001180115668 1050890365 /nfs/dbraw/zinc/89/03/65/1050890365.db2.gz BMQLVOIZPJCJBF-OLEQZPESSA-N 1 1 336.479 4.091 20 10 EICDMO COc1cc(Cl)cc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)c1O ZINC001180452504 1051005169 /nfs/dbraw/zinc/00/51/69/1051005169.db2.gz MCTRNFIMZDAHBH-UHFFFAOYSA-N 1 1 347.817 4.483 20 10 EICDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2cc(C)cc(OC)c2O)c1 ZINC001180513715 1051012186 /nfs/dbraw/zinc/01/21/86/1051012186.db2.gz KORUGHOLQJAZLN-SFHVURJKSA-N 1 1 327.424 4.055 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]C1CC(OCc2ccccc2)C1 ZINC001180632551 1051055191 /nfs/dbraw/zinc/05/51/91/1051055191.db2.gz JLVBCSBCRINYIR-UHFFFAOYSA-N 1 1 335.806 4.022 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)c(Cl)c1 ZINC001181056517 1051138062 /nfs/dbraw/zinc/13/80/62/1051138062.db2.gz RQAQEPBIHHZIJR-HXUWFJFHSA-N 1 1 343.854 4.376 20 10 EICDMO COc1cc(C[N@@H+](C)Cc2ccc(N(C)C)c(C)c2)ccc1SC ZINC001190571285 1051218118 /nfs/dbraw/zinc/21/81/18/1051218118.db2.gz NIVSTYYSTXZZSX-UHFFFAOYSA-N 1 1 344.524 4.424 20 10 EICDMO Oc1c(F)cc(F)cc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC001181600557 1051257782 /nfs/dbraw/zinc/25/77/82/1051257782.db2.gz MPPIPIJMNYYQQC-ZHALLVOQSA-N 1 1 329.390 4.439 20 10 EICDMO Oc1c(F)cc(F)cc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC001181600557 1051257793 /nfs/dbraw/zinc/25/77/93/1051257793.db2.gz MPPIPIJMNYYQQC-ZHALLVOQSA-N 1 1 329.390 4.439 20 10 EICDMO COc1ccc(O)c(C[N@H+]2C[C@@H](C)CC[C@@H]2c2ccccc2OC)c1 ZINC001181674872 1051276802 /nfs/dbraw/zinc/27/68/02/1051276802.db2.gz PRIPIAMOLQAAQS-HNAYVOBHSA-N 1 1 341.451 4.383 20 10 EICDMO COC1CCN(c2ccc(C[N@H+]3[C@H](C)C[C@@H]4CCCC[C@@H]43)cc2)CC1 ZINC001191078066 1051342892 /nfs/dbraw/zinc/34/28/92/1051342892.db2.gz PTCLBLLLOSTNMI-LZNRXBQRSA-N 1 1 342.527 4.455 20 10 EICDMO COC1CCN(c2ccc(C[N@H+]3[C@H](C)C[C@H]4CCCC[C@@H]43)cc2)CC1 ZINC001191078065 1051343354 /nfs/dbraw/zinc/34/33/54/1051343354.db2.gz PTCLBLLLOSTNMI-JUXOCIIHSA-N 1 1 342.527 4.455 20 10 EICDMO CC(C)c1ccc(O)c(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC001181920473 1051354798 /nfs/dbraw/zinc/35/47/98/1051354798.db2.gz PRPMIQGAYFAQIQ-MOPGFXCFSA-N 1 1 329.484 4.297 20 10 EICDMO COc1ccc(C[N@@H+](C(C)C)[C@@H](C)c2ccccc2)c(O)c1OC ZINC001182151686 1051406330 /nfs/dbraw/zinc/40/63/30/1051406330.db2.gz CMGARSHYBMEDHG-HNNXBMFYSA-N 1 1 329.440 4.381 20 10 EICDMO C[C@H]([NH2+]CCCCn1ccnc1)c1cc(Cl)c(Cl)cc1O ZINC000774134919 1051476919 /nfs/dbraw/zinc/47/69/19/1051476919.db2.gz NGJRWOXPXDGPFF-NSHDSACASA-N 1 1 328.243 4.027 20 10 EICDMO C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1cc(Cl)c(Cl)cc1O ZINC000774204542 1051499370 /nfs/dbraw/zinc/49/93/70/1051499370.db2.gz IPEOCSAAKOJFKC-SECBINFHSA-N 1 1 334.243 4.081 20 10 EICDMO C[N@@H+](Cc1ccccc1O)Cc1cc(Cl)ccc1OCC1CC1 ZINC001191681852 1051506628 /nfs/dbraw/zinc/50/66/28/1051506628.db2.gz JDCXSRKCXCSCPT-UHFFFAOYSA-N 1 1 331.843 4.466 20 10 EICDMO Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)c1 ZINC000774256103 1051529897 /nfs/dbraw/zinc/52/98/97/1051529897.db2.gz DZYYTZMDARAPMY-DIFFPNOSSA-N 1 1 340.250 4.392 20 10 EICDMO Oc1ccccc1CNc1cc[nH+]c2cc(Br)ccc12 ZINC000774523178 1051651966 /nfs/dbraw/zinc/65/19/66/1051651966.db2.gz GPWMKMLLCITVMF-UHFFFAOYSA-N 1 1 329.197 4.315 20 10 EICDMO CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775510040 1051654132 /nfs/dbraw/zinc/65/41/32/1051654132.db2.gz URXSHVOYSOPOGU-SUNKGSAMSA-N 1 1 331.287 4.222 20 10 EICDMO CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775510040 1051654138 /nfs/dbraw/zinc/65/41/38/1051654138.db2.gz URXSHVOYSOPOGU-SUNKGSAMSA-N 1 1 331.287 4.222 20 10 EICDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(C(C)C)c2)c1 ZINC000775568452 1051862826 /nfs/dbraw/zinc/86/28/26/1051862826.db2.gz OBZFHOKQNSJOMK-CQSZACIVSA-N 1 1 327.424 4.153 20 10 EICDMO Cc1cc(C[N@H+]2CCCO[C@@H](C(C)C)C2)ccc1N1CCCCC1 ZINC001194626922 1052180139 /nfs/dbraw/zinc/18/01/39/1052180139.db2.gz UMBGHMOZARHXGW-OAQYLSRUSA-N 1 1 330.516 4.232 20 10 EICDMO C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccc(F)cc1O ZINC000184856789 1052266252 /nfs/dbraw/zinc/26/62/52/1052266252.db2.gz QYFNNNIWGPURNU-PBHICJAKSA-N 1 1 332.419 4.002 20 10 EICDMO C[C@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)c1ccc(F)cc1O ZINC000184919610 1052308865 /nfs/dbraw/zinc/30/88/65/1052308865.db2.gz UCOCRDSCEWZQEU-HNAYVOBHSA-N 1 1 328.431 4.019 20 10 EICDMO C[C@@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)c1ccc(F)cc1O ZINC000184919629 1052309721 /nfs/dbraw/zinc/30/97/21/1052309721.db2.gz UCOCRDSCEWZQEU-DNVCBOLYSA-N 1 1 328.431 4.019 20 10 EICDMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1ccc(N2CCCC2=O)cc1 ZINC000185156943 1052494396 /nfs/dbraw/zinc/49/43/96/1052494396.db2.gz VCDANDCJKCVTRJ-ZIAGYGMSSA-N 1 1 342.414 4.070 20 10 EICDMO CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000185358211 1052588420 /nfs/dbraw/zinc/58/84/20/1052588420.db2.gz GWPKKMWMIDPMFU-IRXDYDNUSA-N 1 1 326.484 4.316 20 10 EICDMO CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000185358211 1052588430 /nfs/dbraw/zinc/58/84/30/1052588430.db2.gz GWPKKMWMIDPMFU-IRXDYDNUSA-N 1 1 326.484 4.316 20 10 EICDMO COc1ccc(O)c([C@@H](C)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1 ZINC000185447501 1052607167 /nfs/dbraw/zinc/60/71/67/1052607167.db2.gz GLUCMBUGCNUGJD-JKSUJKDBSA-N 1 1 342.483 4.181 20 10 EICDMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1cccc(-n2cccn2)c1 ZINC000185616447 1052662291 /nfs/dbraw/zinc/66/22/91/1052662291.db2.gz RCLNTUGVWLUSKX-KBPBESRZSA-N 1 1 325.387 4.129 20 10 EICDMO CCCN1CCC([NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000764637516 1053241845 /nfs/dbraw/zinc/24/18/45/1053241845.db2.gz FPRDATWMVIHPIJ-KRWDZBQOSA-N 1 1 347.522 4.341 20 10 EICDMO COCc1cnc(C[N@@H+](Cc2ccccc2O)C2CCCCC2)s1 ZINC000775638038 1053272802 /nfs/dbraw/zinc/27/28/02/1053272802.db2.gz WYYZWSJGEGVSMB-UHFFFAOYSA-N 1 1 346.496 4.330 20 10 EICDMO C[C@H](COc1c(F)cccc1F)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000850522444 1053280786 /nfs/dbraw/zinc/28/07/86/1053280786.db2.gz DTDNJNKZBRUJER-ZJUUUORDSA-N 1 1 343.320 4.067 20 10 EICDMO COc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(C)c2O)cc1OC ZINC000775642802 1053305364 /nfs/dbraw/zinc/30/53/64/1053305364.db2.gz ODOOEXYECBQBRZ-UHFFFAOYSA-N 1 1 335.831 4.003 20 10 EICDMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2cc(OC)ccc2O)cc1 ZINC000775646257 1053323373 /nfs/dbraw/zinc/32/33/73/1053323373.db2.gz GEIFZLOGZPEVNP-LJQANCHMSA-N 1 1 327.424 4.137 20 10 EICDMO CC(C)[N@@H+](Cc1nc2c(s1)CCC2)Cc1ccc(N(C)C)cc1 ZINC000775651423 1053381878 /nfs/dbraw/zinc/38/18/78/1053381878.db2.gz NHOUCJYDUKGGKH-UHFFFAOYSA-N 1 1 329.513 4.108 20 10 EICDMO Cc1cc(Cl)cc(C[N@@H+](C)C[C@H]2OCCc3ccccc32)c1O ZINC000775662132 1053429199 /nfs/dbraw/zinc/42/91/99/1053429199.db2.gz UUCPUUVMUMLRQG-GOSISDBHSA-N 1 1 331.843 4.100 20 10 EICDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cnc2ccccc2n1 ZINC000851732770 1053509273 /nfs/dbraw/zinc/50/92/73/1053509273.db2.gz XUNXTQRDMZDHOE-UHFFFAOYSA-N 1 1 334.467 4.106 20 10 EICDMO Cc1cccc(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1O ZINC000775688417 1053593958 /nfs/dbraw/zinc/59/39/58/1053593958.db2.gz QZTFTBZSXDOREH-RXVVDRJESA-N 1 1 338.495 4.186 20 10 EICDMO C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1cc2cnccc2o1 ZINC000865850825 1053607928 /nfs/dbraw/zinc/60/79/28/1053607928.db2.gz AKUPLTGLPMGAJS-NSHDSACASA-N 1 1 331.366 4.023 20 10 EICDMO CC[C@@H]([NH2+]C[C@@H](c1ccco1)N(CC)CC)c1ccc(F)cc1O ZINC000796725221 1053632733 /nfs/dbraw/zinc/63/27/33/1053632733.db2.gz MTVYJJRUGYVSCT-SJORKVTESA-N 1 1 334.435 4.248 20 10 EICDMO CC[C@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccc(N(C)C)cc1 ZINC000120913574 1053640004 /nfs/dbraw/zinc/64/00/04/1053640004.db2.gz PEVUASLAMZCUIU-NRFANRHFSA-N 1 1 343.490 4.194 20 10 EICDMO C/C=C\C[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC001196614401 1053714432 /nfs/dbraw/zinc/71/44/32/1053714432.db2.gz OFQVVEBDNHXIBR-ZRHASKPBSA-N 1 1 342.527 4.480 20 10 EICDMO Cc1cccc(CNc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)c1O ZINC000775749347 1053799510 /nfs/dbraw/zinc/79/95/10/1053799510.db2.gz HBYFQWOFAPWHDV-MRXNPFEDSA-N 1 1 340.467 4.033 20 10 EICDMO CC[C@H]([NH2+]Cc1nc(C)c2ccccc2n1)c1ccc(N(C)C)cc1 ZINC000765639364 1053829778 /nfs/dbraw/zinc/82/97/78/1053829778.db2.gz YALPXMUTXABZMS-IBGZPJMESA-N 1 1 334.467 4.245 20 10 EICDMO COc1cc(C[N@H+]2CCC[C@@H]2C2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000776773291 1053866573 /nfs/dbraw/zinc/86/65/73/1053866573.db2.gz WOLIOERRYGRNAM-LJQANCHMSA-N 1 1 347.499 4.089 20 10 EICDMO c1csc(-c2nc(C[NH2+]Cc3ccc4c(c3)CCCO4)co2)c1 ZINC000921596220 1053913993 /nfs/dbraw/zinc/91/39/93/1053913993.db2.gz UWVVEPPWHAMIIE-UHFFFAOYSA-N 1 1 326.421 4.018 20 10 EICDMO CCC(CC)[C@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)N1CCCC1 ZINC001199144938 1054349392 /nfs/dbraw/zinc/34/93/92/1054349392.db2.gz ZQLSKGYJFKZGAC-CZQLGGELSA-N 1 1 343.559 4.256 20 10 EICDMO C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1O)C[C@H]1CCCOC1 ZINC000776012355 1054445928 /nfs/dbraw/zinc/44/59/28/1054445928.db2.gz YSIGQOQAOMKUAE-ZWKOTPCHSA-N 1 1 325.452 4.382 20 10 EICDMO CCOC(C[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1)OCC ZINC000125278976 1054757361 /nfs/dbraw/zinc/75/73/61/1054757361.db2.gz XGMRXSSJQICKSD-KRWDZBQOSA-N 1 1 343.467 4.355 20 10 EICDMO Cc1cccc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1Cl ZINC001201873519 1054940908 /nfs/dbraw/zinc/94/09/08/1054940908.db2.gz SLCUVLFZWUIRMP-UHFFFAOYSA-N 1 1 347.865 4.151 20 10 EICDMO CC1CCN(c2ccc(C[NH2+]Cc3cc(C4CC4)no3)cc2)CC1 ZINC000877024657 1055004259 /nfs/dbraw/zinc/00/42/59/1055004259.db2.gz KPCOJKJMFGAPCZ-UHFFFAOYSA-N 1 1 325.456 4.078 20 10 EICDMO Cc1ccc(C[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(O)c1 ZINC000877336581 1055045025 /nfs/dbraw/zinc/04/50/25/1055045025.db2.gz KNAGVWVSEADRNA-UYAOXDASSA-N 1 1 329.415 4.192 20 10 EICDMO Brc1sccc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001202142900 1055047444 /nfs/dbraw/zinc/04/74/44/1055047444.db2.gz OACHVMBZSODVFV-UHFFFAOYSA-N 1 1 338.270 4.125 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCCC(F)(F)CC2)c1 ZINC000862467701 1055072863 /nfs/dbraw/zinc/07/28/63/1055072863.db2.gz ZGZUZXIMWPDZCA-UHFFFAOYSA-N 1 1 334.204 4.084 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+]2CCCC(F)(F)CC2)c1 ZINC000862467701 1055072877 /nfs/dbraw/zinc/07/28/77/1055072877.db2.gz ZGZUZXIMWPDZCA-UHFFFAOYSA-N 1 1 334.204 4.084 20 10 EICDMO [O-]c1c(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)ccc(F)c1F ZINC000877589260 1055086844 /nfs/dbraw/zinc/08/68/44/1055086844.db2.gz KQDNQYGZKJWWEA-LJQANCHMSA-N 1 1 345.389 4.024 20 10 EICDMO Oc1ccccc1C[N@H+]1CC[C@@H](c2ccc(Br)cc2)C1 ZINC001203556572 1055202411 /nfs/dbraw/zinc/20/24/11/1055202411.db2.gz UMAOEUNJCTWKTK-CQSZACIVSA-N 1 1 332.241 4.144 20 10 EICDMO CN(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000743375464 1058982510 /nfs/dbraw/zinc/98/25/10/1058982510.db2.gz HRMAJRWRBNTORY-FQEVSTJZSA-N 1 1 346.474 4.252 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C)N(Cc3ccccc3)CC2)cc1C ZINC000743404269 1058990578 /nfs/dbraw/zinc/99/05/78/1058990578.db2.gz AUYHRKNLXZWBIJ-LJQANCHMSA-N 1 1 338.495 4.105 20 10 EICDMO Cc1cc(O)c(CN2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc1C ZINC000743404269 1058990606 /nfs/dbraw/zinc/99/06/06/1058990606.db2.gz AUYHRKNLXZWBIJ-LJQANCHMSA-N 1 1 338.495 4.105 20 10 EICDMO Cc1cc(O)c(CN2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cc1C ZINC000743404269 1058990629 /nfs/dbraw/zinc/99/06/29/1058990629.db2.gz AUYHRKNLXZWBIJ-LJQANCHMSA-N 1 1 338.495 4.105 20 10 EICDMO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](C)CCN(C)C)cc1 ZINC000744267735 1059360941 /nfs/dbraw/zinc/36/09/41/1059360941.db2.gz UBKDNEVHYOZVRQ-IBGZPJMESA-N 1 1 339.527 4.143 20 10 EICDMO Cc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c(O)c(C(C)(C)C)c1 ZINC000744440275 1059503868 /nfs/dbraw/zinc/50/38/68/1059503868.db2.gz JRFLDJAKFYPKNU-MOPGFXCFSA-N 1 1 344.543 4.445 20 10 EICDMO Cc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(C)C)c(O)c(C(C)(C)C)c1 ZINC000744440275 1059503897 /nfs/dbraw/zinc/50/38/97/1059503897.db2.gz JRFLDJAKFYPKNU-MOPGFXCFSA-N 1 1 344.543 4.445 20 10 EICDMO Cc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(C)C)c(O)c(C(C)(C)C)c1 ZINC000744440275 1059503912 /nfs/dbraw/zinc/50/39/12/1059503912.db2.gz JRFLDJAKFYPKNU-MOPGFXCFSA-N 1 1 344.543 4.445 20 10 EICDMO Cc1ccc(-c2nnc([C@@H](C)[N@H+](C)Cc3ccccc3O)o2)cc1C ZINC000120488690 1032330715 /nfs/dbraw/zinc/33/07/15/1032330715.db2.gz GBCMPSPIJKVFNX-OAHLLOKOSA-N 1 1 337.423 4.252 20 10 EICDMO Cc1ccc(-c2nnc([C@@H](C)[N@@H+](C)Cc3ccccc3O)o2)cc1C ZINC000120488690 1032330730 /nfs/dbraw/zinc/33/07/30/1032330730.db2.gz GBCMPSPIJKVFNX-OAHLLOKOSA-N 1 1 337.423 4.252 20 10 EICDMO C[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccc(Cl)cc1O ZINC000841758094 1032535108 /nfs/dbraw/zinc/53/51/08/1032535108.db2.gz SAPSRMKXHHCDHO-JTQLQIEISA-N 1 1 344.764 4.353 20 10 EICDMO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1c(F)cccc1Cl ZINC000748098633 1020329348 /nfs/dbraw/zinc/32/93/48/1020329348.db2.gz KCKSZDUMUFEZNP-AWEZNQCLSA-N 1 1 348.849 4.167 20 10 EICDMO CCN(CC)c1ccc(C[NH2+][C@H](COC)c2ccc(C)o2)cc1F ZINC000177568086 1020987288 /nfs/dbraw/zinc/98/72/88/1020987288.db2.gz AKEAABSEBUHKFY-QGZVFWFLSA-N 1 1 334.435 4.051 20 10 EICDMO CCOc1cccc(C[N@@H+](C)Cc2ccc(OC(F)F)cc2)c1O ZINC000160623820 1022469572 /nfs/dbraw/zinc/46/95/72/1022469572.db2.gz XCHTZAYKMKHOLR-UHFFFAOYSA-N 1 1 337.366 4.024 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1nccn1C1CC1)C1CCCCC1 ZINC000891435990 1023410597 /nfs/dbraw/zinc/41/05/97/1023410597.db2.gz JXYIWZMQJUZZSS-UHFFFAOYSA-N 1 1 325.456 4.259 20 10 EICDMO C[C@@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)c1ccc(F)cc1O ZINC000377739867 1023732891 /nfs/dbraw/zinc/73/28/91/1023732891.db2.gz BZXPQDOBQXRFNZ-JLTOFOAXSA-N 1 1 341.426 4.276 20 10 EICDMO C[C@@H]([NH2+][C@@H]1COc2ccc(Cl)cc21)c1cc(F)cc(F)c1O ZINC000756760376 1024425745 /nfs/dbraw/zinc/42/57/45/1024425745.db2.gz OBWVGTGCEHKYEP-XLKFXECMSA-N 1 1 325.742 4.108 20 10 EICDMO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000277170810 1025212029 /nfs/dbraw/zinc/21/20/29/1025212029.db2.gz HUEYUOLMJMBICV-HOTGVXAUSA-N 1 1 341.503 4.159 20 10 EICDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c(O)c1OC ZINC000892045541 1025490490 /nfs/dbraw/zinc/49/04/90/1025490490.db2.gz GJYQGKBVINYSKJ-MRXNPFEDSA-N 1 1 349.377 4.025 20 10 EICDMO CCCC[N@@H+](Cc1cnc2onc(C)c2c1)Cc1ccccc1O ZINC000894678421 1026313773 /nfs/dbraw/zinc/31/37/73/1026313773.db2.gz ASZOTPAHBVCHHW-UHFFFAOYSA-N 1 1 325.412 4.039 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)cc1C ZINC000728905058 1026410958 /nfs/dbraw/zinc/41/09/58/1026410958.db2.gz WSNKFUMGPDYMDW-LJQANCHMSA-N 1 1 331.843 4.236 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)cc1C ZINC000728905058 1026410965 /nfs/dbraw/zinc/41/09/65/1026410965.db2.gz WSNKFUMGPDYMDW-LJQANCHMSA-N 1 1 331.843 4.236 20 10 EICDMO COc1cc(C)cc(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)c1O ZINC000216025267 1026968377 /nfs/dbraw/zinc/96/83/77/1026968377.db2.gz JGROTNLWFWAUDJ-UHFFFAOYSA-N 1 1 339.357 4.360 20 10 EICDMO COc1ccc(O)c([C@@H](C)[NH2+][C@H](c2nccs2)c2ccccc2)c1 ZINC000185235082 1030132656 /nfs/dbraw/zinc/13/26/56/1030132656.db2.gz JHZWVLYGQQUHCL-ACJLOTCBSA-N 1 1 340.448 4.298 20 10 EICDMO COc1cc(O)c(C[N@@H+](C)Cc2cccc3ccccc32)cc1OC ZINC000179439201 1031062829 /nfs/dbraw/zinc/06/28/29/1031062829.db2.gz ISRSJUPSUWBVRA-UHFFFAOYSA-N 1 1 337.419 4.195 20 10 EICDMO CCc1[nH+]ccn1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255847256 1031277180 /nfs/dbraw/zinc/27/71/80/1031277180.db2.gz SRIWMGYOWSEGCH-UHFFFAOYSA-N 1 1 333.395 4.500 20 10 EICDMO Cc1ccc(-c2noc([C@@H](C)[N@H+](C)Cc3ccccc3O)n2)cc1F ZINC000109771198 1031306616 /nfs/dbraw/zinc/30/66/16/1031306616.db2.gz RMUGKIPVWIKMRE-CYBMUJFWSA-N 1 1 341.386 4.083 20 10 EICDMO Cc1ccc(-c2noc([C@@H](C)[N@@H+](C)Cc3ccccc3O)n2)cc1F ZINC000109771198 1031306636 /nfs/dbraw/zinc/30/66/36/1031306636.db2.gz RMUGKIPVWIKMRE-CYBMUJFWSA-N 1 1 341.386 4.083 20 10 EICDMO CC[C@H]([NH2+][C@H]1CCN(C(C)=O)c2ccccc21)c1ccc(F)cc1O ZINC000375837449 1031335146 /nfs/dbraw/zinc/33/51/46/1031335146.db2.gz GQEPFIVLCBMDPF-ROUUACIJSA-N 1 1 342.414 4.070 20 10 EICDMO COc1cccc(C[N@@H+](C)[C@@H](c2ccccc2)c2ccccn2)c1O ZINC000130960694 1031855926 /nfs/dbraw/zinc/85/59/26/1031855926.db2.gz XMHJWDAYMAHDDR-FQEVSTJZSA-N 1 1 334.419 4.017 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc2ccccc21 ZINC000015571697 1035337640 /nfs/dbraw/zinc/33/76/40/1035337640.db2.gz FBBJQICJAOELIY-UHFFFAOYSA-N 1 1 346.474 4.308 20 10 EICDMO C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000158186693 1035659267 /nfs/dbraw/zinc/65/92/67/1035659267.db2.gz IJMADYJRUCMWKC-RTBURBONSA-N 1 1 329.532 4.059 20 10 EICDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000164412973 1036138482 /nfs/dbraw/zinc/13/84/82/1036138482.db2.gz FOOGUFZLFGPRDU-LJQANCHMSA-N 1 1 325.452 4.048 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)c1O ZINC000761217460 1036171793 /nfs/dbraw/zinc/17/17/93/1036171793.db2.gz VMHIRYSYGIBKGJ-ONGXEEELSA-N 1 1 337.769 4.217 20 10 EICDMO C[C@H](c1ccccc1)[N@H+](Cc1cn(C2CC2)nn1)Cc1ccccc1O ZINC000906279242 1036187051 /nfs/dbraw/zinc/18/70/51/1036187051.db2.gz CSHPNVFVXBRJOT-MRXNPFEDSA-N 1 1 348.450 4.082 20 10 EICDMO C[C@H](c1ccccc1)[N@@H+](Cc1cn(C2CC2)nn1)Cc1ccccc1O ZINC000906279242 1036187059 /nfs/dbraw/zinc/18/70/59/1036187059.db2.gz CSHPNVFVXBRJOT-MRXNPFEDSA-N 1 1 348.450 4.082 20 10 EICDMO CC(C)Cn1ccnc1C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000164745543 1036343554 /nfs/dbraw/zinc/34/35/54/1036343554.db2.gz GCPSBBVCLBOVDP-GOSISDBHSA-N 1 1 340.515 4.380 20 10 EICDMO Cc1ccc(O)c(C[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000273377367 1037442824 /nfs/dbraw/zinc/44/28/24/1037442824.db2.gz GDTOXGNSNBJNCH-ICSRJNTNSA-N 1 1 329.415 4.192 20 10 EICDMO Cc1cccc(C[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1O ZINC000273485670 1037481015 /nfs/dbraw/zinc/48/10/15/1037481015.db2.gz MHAWRXVOBKACGO-RTBURBONSA-N 1 1 329.415 4.192 20 10 EICDMO C[C@@H]([NH2+]Cc1cc(F)ccc1Br)c1ccc(F)cc1O ZINC000062747863 1038239923 /nfs/dbraw/zinc/23/99/23/1038239923.db2.gz ZOPYAFAJXXDHGK-SECBINFHSA-N 1 1 342.183 4.284 20 10 EICDMO CCc1nc(N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)cc(C)[nH+]1 ZINC000553298040 1040104807 /nfs/dbraw/zinc/10/48/07/1040104807.db2.gz WGFPBCNTAKTGDH-UHFFFAOYSA-N 1 1 336.414 4.262 20 10 EICDMO C[C@H]1C[N@@H+](Cc2cc(Br)cc(F)c2[O-])CC(C)(C)C1 ZINC001204961777 1040273743 /nfs/dbraw/zinc/27/37/43/1040273743.db2.gz UOEJWVGNDLNOFW-SNVBAGLBSA-N 1 1 330.241 4.162 20 10 EICDMO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000152450938 1042828080 /nfs/dbraw/zinc/82/80/80/1042828080.db2.gz SHKOLCABGPLIMF-MOPGFXCFSA-N 1 1 341.543 4.202 20 10 EICDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCCc3sccc3C2)c1 ZINC000730455426 1043527821 /nfs/dbraw/zinc/52/78/21/1043527821.db2.gz RUUNPLPWENMGQB-UHFFFAOYSA-N 1 1 331.481 4.405 20 10 EICDMO C[N@H+](Cc1cc2oc3ccccc3c2cc1O)C[C@H]1CCCOC1 ZINC000730804786 1043628404 /nfs/dbraw/zinc/62/84/04/1043628404.db2.gz ZNZVFGVURBLGLK-CQSZACIVSA-N 1 1 325.408 4.150 20 10 EICDMO COc1ccc2ccc(O)c(C[N@@H+](C)CCc3ccccc3F)c2c1 ZINC000731661672 1043811792 /nfs/dbraw/zinc/81/17/92/1043811792.db2.gz SSTUNLUUKPTNNV-UHFFFAOYSA-N 1 1 339.410 4.368 20 10 EICDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@H](CC(F)(F)F)C3)c2c1 ZINC000766118822 1044220781 /nfs/dbraw/zinc/22/07/81/1044220781.db2.gz OMFCCILLWDJSCX-GFCCVEGCSA-N 1 1 339.357 4.328 20 10 EICDMO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1)c1ccccc1O ZINC001168023384 1044580803 /nfs/dbraw/zinc/58/08/03/1044580803.db2.gz VXOVCLHXSKLGSP-DMUMMCEESA-N 1 1 338.495 4.484 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]2CN2CCCCC2)cc1C(C)C ZINC000738096528 1045031471 /nfs/dbraw/zinc/03/14/71/1045031471.db2.gz MAMHZHFHAFQWCB-IBGZPJMESA-N 1 1 330.516 4.274 20 10 EICDMO Cc1cc(O)c(CN2CCC[C@H]2C[NH+]2CCCCC2)cc1C(C)C ZINC000738096528 1045031488 /nfs/dbraw/zinc/03/14/88/1045031488.db2.gz MAMHZHFHAFQWCB-IBGZPJMESA-N 1 1 330.516 4.274 20 10 EICDMO Cc1cccc([C@@H]([NH2+]Cc2ccc(N(C)C)cc2)c2ccccn2)c1 ZINC000153510730 1045174339 /nfs/dbraw/zinc/17/43/39/1045174339.db2.gz DHCDVVAMXNHKDQ-JOCHJYFZSA-N 1 1 331.463 4.335 20 10 EICDMO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000790960023 1045637203 /nfs/dbraw/zinc/63/72/03/1045637203.db2.gz RQWUUPUAXKNKEF-UKRRQHHQSA-N 1 1 348.849 4.110 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000790961754 1045638495 /nfs/dbraw/zinc/63/84/95/1045638495.db2.gz ZVRQSKOZXFTDDR-GOSISDBHSA-N 1 1 345.801 4.161 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccccc1OCC1CC1 ZINC000790967445 1045640112 /nfs/dbraw/zinc/64/01/12/1045640112.db2.gz STAUIXNFTKBAIO-UHFFFAOYSA-N 1 1 335.806 4.263 20 10 EICDMO COc1cccc2[nH]cc(CC[NH2+]Cc3c(O)ccc(Cl)c3F)c21 ZINC000790991317 1045646923 /nfs/dbraw/zinc/64/69/23/1045646923.db2.gz USJLXSWDRBOMPS-UHFFFAOYSA-N 1 1 348.805 4.007 20 10 EICDMO CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790982074 1045670678 /nfs/dbraw/zinc/67/06/78/1045670678.db2.gz PZWACOKTIDEQDX-BMLIUANNSA-N 1 1 341.785 4.190 20 10 EICDMO CCOc1ccc(C[NH2+][C@@H](C)c2nc(C3CCCCC3)no2)c(O)c1 ZINC000742710078 1045703937 /nfs/dbraw/zinc/70/39/37/1045703937.db2.gz GTEBGMIMDBTELF-ZDUSSCGKSA-N 1 1 345.443 4.072 20 10 EICDMO CC[N@@H+](Cc1c[nH]nc1-c1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000768131837 1045722160 /nfs/dbraw/zinc/72/21/60/1045722160.db2.gz ADYBKIUZJYOQBB-UHFFFAOYSA-N 1 1 334.467 4.165 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CCCCC[C@@H]2c2ccncc2)cc1F ZINC000768138866 1045727456 /nfs/dbraw/zinc/72/74/56/1045727456.db2.gz VODYXNQBLCLLCC-LJQANCHMSA-N 1 1 327.447 4.404 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1cccc2cc[nH]c21)C[C@H]1CCCO1 ZINC000768162145 1045730824 /nfs/dbraw/zinc/73/08/24/1045730824.db2.gz MGSGNCHSCMNYLH-LJQANCHMSA-N 1 1 336.435 4.055 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2ccc3ncccc3c2)C2CC2)cc1 ZINC000768256328 1045767839 /nfs/dbraw/zinc/76/78/39/1045767839.db2.gz CIOLOMWUACTHAG-UHFFFAOYSA-N 1 1 331.463 4.465 20 10 EICDMO C[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000768270948 1045771435 /nfs/dbraw/zinc/77/14/35/1045771435.db2.gz GPDRNTHAVQPLHF-RQJHMYQMSA-N 1 1 344.146 4.285 20 10 EICDMO O=[N+]([O-])c1cccc(C[N@H+](Cc2c(O)cccc2Cl)C2CC2)c1 ZINC000768333550 1045789278 /nfs/dbraw/zinc/78/92/78/1045789278.db2.gz DUTBWIXGMAPFES-UHFFFAOYSA-N 1 1 332.787 4.118 20 10 EICDMO O=[N+]([O-])c1cccc(C[N@@H+](Cc2c(O)cccc2Cl)C2CC2)c1 ZINC000768333550 1045789253 /nfs/dbraw/zinc/78/92/53/1045789253.db2.gz DUTBWIXGMAPFES-UHFFFAOYSA-N 1 1 332.787 4.118 20 10 EICDMO Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000768316341 1045792387 /nfs/dbraw/zinc/79/23/87/1045792387.db2.gz CTFOSKJSVYBJLR-QFIPXVFZSA-N 1 1 336.479 4.169 20 10 EICDMO CCOc1ccc(O)c(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000768338638 1045793485 /nfs/dbraw/zinc/79/34/85/1045793485.db2.gz QELJUGOHKZRESJ-UHFFFAOYSA-N 1 1 344.411 4.110 20 10 EICDMO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000768373374 1045801511 /nfs/dbraw/zinc/80/15/11/1045801511.db2.gz DXPSIKAOHMCNAO-LJQANCHMSA-N 1 1 347.842 4.018 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000768373374 1045801516 /nfs/dbraw/zinc/80/15/16/1045801516.db2.gz DXPSIKAOHMCNAO-LJQANCHMSA-N 1 1 347.842 4.018 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CCCc2cn(C(C)C)nc21)c1ccc(F)cc1O ZINC000796939726 1045806258 /nfs/dbraw/zinc/80/62/58/1045806258.db2.gz GCTHQRZWBJXJED-DLBZAZTESA-N 1 1 331.435 4.427 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2c2ccccc2Cl)cc1OC ZINC000768441683 1045807539 /nfs/dbraw/zinc/80/75/39/1045807539.db2.gz FOMAARVWYNLMAF-MRXNPFEDSA-N 1 1 347.842 4.400 20 10 EICDMO COc1cc(O)c(C[N@@H+](Cc2ccoc2)C2CCCCC2)cc1OC ZINC000768444748 1045807613 /nfs/dbraw/zinc/80/76/13/1045807613.db2.gz BUBQSIQRYZGLCB-UHFFFAOYSA-N 1 1 345.439 4.337 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1CCC1CCCCC1)[C@@H](O)CO2 ZINC000768463729 1045810754 /nfs/dbraw/zinc/81/07/54/1045810754.db2.gz WAZMELVIQHVVOK-XLIONFOSSA-N 1 1 345.483 4.143 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1CCC1CCCCC1)[C@@H](O)CO2 ZINC000768463726 1045811001 /nfs/dbraw/zinc/81/10/01/1045811001.db2.gz WAZMELVIQHVVOK-PXNSSMCTSA-N 1 1 345.483 4.143 20 10 EICDMO CCOc1cccc(C[N@@H+](CCOC)[C@@H](C)c2ccccc2)c1O ZINC000768597670 1045824564 /nfs/dbraw/zinc/82/45/64/1045824564.db2.gz STYCGPKYWMSYDL-INIZCTEOSA-N 1 1 329.440 4.001 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)cc1F ZINC000768877504 1045851518 /nfs/dbraw/zinc/85/15/18/1045851518.db2.gz HCIXCYICZSREBH-SFHVURJKSA-N 1 1 331.435 4.305 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2c2cc(C)no2)cc1F ZINC000768877504 1045851522 /nfs/dbraw/zinc/85/15/22/1045851522.db2.gz HCIXCYICZSREBH-SFHVURJKSA-N 1 1 331.435 4.305 20 10 EICDMO CN(C)c1ccc(C[N@H+](Cc2nccn2-c2ccccc2)C2CC2)cc1 ZINC000792162084 1045864016 /nfs/dbraw/zinc/86/40/16/1045864016.db2.gz BOYOVYPQZRAJIZ-UHFFFAOYSA-N 1 1 346.478 4.103 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2nccn2-c2ccccc2)C2CC2)cc1 ZINC000792162084 1045864024 /nfs/dbraw/zinc/86/40/24/1045864024.db2.gz BOYOVYPQZRAJIZ-UHFFFAOYSA-N 1 1 346.478 4.103 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000792169643 1045872191 /nfs/dbraw/zinc/87/21/91/1045872191.db2.gz MWSFYWLTGFMEJF-UHFFFAOYSA-N 1 1 325.733 4.349 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000792169643 1045872195 /nfs/dbraw/zinc/87/21/95/1045872195.db2.gz MWSFYWLTGFMEJF-UHFFFAOYSA-N 1 1 325.733 4.349 20 10 EICDMO C[C@H]1CCSCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000792196324 1045876841 /nfs/dbraw/zinc/87/68/41/1045876841.db2.gz IGQSIMWXEXCHCD-INIZCTEOSA-N 1 1 343.492 4.299 20 10 EICDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2c(O)cccc2Cl)C1 ZINC000769149002 1045885277 /nfs/dbraw/zinc/88/52/77/1045885277.db2.gz WQJYCVKUNHZAFJ-JKSUJKDBSA-N 1 1 336.907 4.132 20 10 EICDMO COc1cccc(C[N@@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)c1O ZINC000769212746 1045895247 /nfs/dbraw/zinc/89/52/47/1045895247.db2.gz RJZSRGOSDUUKMV-NQIIRXRSSA-N 1 1 341.451 4.001 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1O ZINC000769229057 1045897616 /nfs/dbraw/zinc/89/76/16/1045897616.db2.gz UOQDDZZTQQGVQZ-GFCCVEGCSA-N 1 1 349.352 4.002 20 10 EICDMO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1 ZINC000769310644 1045916951 /nfs/dbraw/zinc/91/69/51/1045916951.db2.gz IYDQRBPMWDICLT-GOSISDBHSA-N 1 1 335.806 4.067 20 10 EICDMO Cc1ccc(O)c(C[N@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1 ZINC000769310644 1045916968 /nfs/dbraw/zinc/91/69/68/1045916968.db2.gz IYDQRBPMWDICLT-GOSISDBHSA-N 1 1 335.806 4.067 20 10 EICDMO CCc1nn(C)c(Cl)c1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000769384058 1045942501 /nfs/dbraw/zinc/94/25/01/1045942501.db2.gz KUCKCVAMKADDCL-UHFFFAOYSA-N 1 1 347.890 4.286 20 10 EICDMO C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769483151 1045967326 /nfs/dbraw/zinc/96/73/26/1045967326.db2.gz MXNHMVBTSDZGEL-CQSZACIVSA-N 1 1 331.287 4.005 20 10 EICDMO C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769483151 1045967316 /nfs/dbraw/zinc/96/73/16/1045967316.db2.gz MXNHMVBTSDZGEL-CQSZACIVSA-N 1 1 331.287 4.005 20 10 EICDMO C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769483151 1045967335 /nfs/dbraw/zinc/96/73/35/1045967335.db2.gz MXNHMVBTSDZGEL-CQSZACIVSA-N 1 1 331.287 4.005 20 10 EICDMO CCOc1cccc(C[N@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)c1O ZINC000769465679 1045983738 /nfs/dbraw/zinc/98/37/38/1045983738.db2.gz IMZJFVDKFCIUTD-RHSMWYFYSA-N 1 1 329.415 4.308 20 10 EICDMO CCOc1cccc(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)c1O ZINC000769471819 1045986256 /nfs/dbraw/zinc/98/62/56/1045986256.db2.gz DFFKEGIAHRUZLO-JXFKEZNVSA-N 1 1 341.451 4.061 20 10 EICDMO CCOc1cccc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)c1O ZINC000769512728 1046003952 /nfs/dbraw/zinc/00/39/52/1046003952.db2.gz PKYIFVYPYVEONB-INIZCTEOSA-N 1 1 343.492 4.405 20 10 EICDMO COc1cccc(C[N@H+]2CCc3cc(-c4ccccc4)oc3C2)c1O ZINC000769563100 1046022974 /nfs/dbraw/zinc/02/29/74/1046022974.db2.gz QCHBJWFZFJNEOJ-UHFFFAOYSA-N 1 1 335.403 4.219 20 10 EICDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792823177 1046074253 /nfs/dbraw/zinc/07/42/53/1046074253.db2.gz QATPDWGHFDAFCV-CQSZACIVSA-N 1 1 344.421 4.020 20 10 EICDMO CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(F)cc1O ZINC000796696563 1046078857 /nfs/dbraw/zinc/07/88/57/1046078857.db2.gz SPOSDJMJAUUNEI-PXAZEXFGSA-N 1 1 342.414 4.218 20 10 EICDMO CCC[N@H+](Cc1ccccc1O)[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000792868790 1046080884 /nfs/dbraw/zinc/08/08/84/1046080884.db2.gz WUJHBQAOAJPKQQ-HNNXBMFYSA-N 1 1 337.423 4.415 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000792868790 1046080906 /nfs/dbraw/zinc/08/09/06/1046080906.db2.gz WUJHBQAOAJPKQQ-HNNXBMFYSA-N 1 1 337.423 4.415 20 10 EICDMO COC[C@H]1CCCC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793086577 1046136836 /nfs/dbraw/zinc/13/68/36/1046136836.db2.gz UFFBZZOBJVCMRR-AWEZNQCLSA-N 1 1 344.421 4.020 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000770327485 1046181453 /nfs/dbraw/zinc/18/14/53/1046181453.db2.gz QYTJWMRCWKLUKO-UXHICEINSA-N 1 1 342.483 4.214 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1C ZINC000770324511 1046181606 /nfs/dbraw/zinc/18/16/06/1046181606.db2.gz GYJUEJWTWSVDRU-CTNGQTDRSA-N 1 1 343.442 4.236 20 10 EICDMO COc1cccc(C[N@H+]2CCCC[C@H]2c2ccc(F)cc2F)c1O ZINC000770350963 1046190410 /nfs/dbraw/zinc/19/04/10/1046190410.db2.gz RMPXGLCMIMJURN-KRWDZBQOSA-N 1 1 333.378 4.406 20 10 EICDMO OCCC[N@@H+](Cc1ccccc1O)C(c1ccccc1)c1ccccc1 ZINC000770509509 1046210475 /nfs/dbraw/zinc/21/04/75/1046210475.db2.gz BRFOLDFUQGVAOP-UHFFFAOYSA-N 1 1 347.458 4.366 20 10 EICDMO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccn(Cc3ccccc3)n2)cc1 ZINC000793573933 1046305914 /nfs/dbraw/zinc/30/59/14/1046305914.db2.gz XPFZXTNVXAFLTN-GOSISDBHSA-N 1 1 348.494 4.238 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C(C)(C)c1ccccc1 ZINC000793607714 1046307465 /nfs/dbraw/zinc/30/74/65/1046307465.db2.gz CAPVUYYJQQVUGS-UHFFFAOYSA-N 1 1 342.458 4.029 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2ccc(-n3ccnc3)cc2)C2CC2)cc1 ZINC000771790767 1046491200 /nfs/dbraw/zinc/49/12/00/1046491200.db2.gz GNLDRNPDMORKIZ-UHFFFAOYSA-N 1 1 346.478 4.103 20 10 EICDMO COCc1cccc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000771925059 1046519456 /nfs/dbraw/zinc/51/94/56/1046519456.db2.gz VSJNMFNPCIQCOY-UHFFFAOYSA-N 1 1 337.419 4.334 20 10 EICDMO Cn1ccc2cc[nH+]c(NCc3cc(Cl)c4cccnc4c3O)c21 ZINC001168522940 1046749596 /nfs/dbraw/zinc/74/95/96/1046749596.db2.gz XETFGCVWZOVKJF-UHFFFAOYSA-N 1 1 338.798 4.093 20 10 EICDMO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1cc2ccccc2o1 ZINC000786159440 1046813307 /nfs/dbraw/zinc/81/33/07/1046813307.db2.gz FGRGWYQTAADDRK-KRWDZBQOSA-N 1 1 349.478 4.035 20 10 EICDMO C[N@@H+](CCCc1ccccc1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000917456069 1046896230 /nfs/dbraw/zinc/89/62/30/1046896230.db2.gz WVTNPAREXMMRKH-UHFFFAOYSA-N 1 1 327.468 4.460 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1sccc1Cl)C[C@@H]1CCCO1 ZINC000787049000 1046900350 /nfs/dbraw/zinc/90/03/50/1046900350.db2.gz IVIWEEYEPDJKHN-AWEZNQCLSA-N 1 1 337.872 4.288 20 10 EICDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)Cc1cc2c(cc1O)OCO2 ZINC000917477415 1046900601 /nfs/dbraw/zinc/90/06/01/1046900601.db2.gz MXMOAPWIPUWECV-UHFFFAOYSA-N 1 1 340.206 4.060 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccccc1Cl)OCO2 ZINC000917482717 1046906596 /nfs/dbraw/zinc/90/65/96/1046906596.db2.gz LCDLHILRDCCHTD-OAHLLOKOSA-N 1 1 331.799 4.111 20 10 EICDMO CCC[N@@H+](Cc1cc(F)ccc1O)[C@H](C)C(=O)Nc1ccccc1C ZINC000787327641 1046996424 /nfs/dbraw/zinc/99/64/24/1046996424.db2.gz JXZRJLZKVIJMSR-OAHLLOKOSA-N 1 1 344.430 4.079 20 10 EICDMO C[N@H+](Cc1ccccc1O)Cc1cc(F)c(C(F)(F)F)cc1F ZINC000805745895 1047000153 /nfs/dbraw/zinc/00/01/53/1047000153.db2.gz KNPRTJQVIHOZBI-UHFFFAOYSA-N 1 1 331.284 4.321 20 10 EICDMO C[N@@H+](Cc1ccccc1O)Cc1cc(F)c(C(F)(F)F)cc1F ZINC000805745895 1047000166 /nfs/dbraw/zinc/00/01/66/1047000166.db2.gz KNPRTJQVIHOZBI-UHFFFAOYSA-N 1 1 331.284 4.321 20 10 EICDMO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000746709675 1047062136 /nfs/dbraw/zinc/06/21/36/1047062136.db2.gz AXFHFHYJSDQZJS-QZTJIDSGSA-N 1 1 339.435 4.279 20 10 EICDMO CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000806133002 1047125074 /nfs/dbraw/zinc/12/50/74/1047125074.db2.gz FDWOAKMTYPMYTK-LRDDRELGSA-N 1 1 345.314 4.472 20 10 EICDMO COC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(Cl)c1F ZINC000806128297 1047151063 /nfs/dbraw/zinc/15/10/63/1047151063.db2.gz QNYYODHCBMXPOE-QGZVFWFLSA-N 1 1 336.838 4.022 20 10 EICDMO CCN(C)c1ccc([C@H](C)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000806172497 1047157761 /nfs/dbraw/zinc/15/77/61/1047157761.db2.gz NENUJVPLMXZOBG-KKSFZXQISA-N 1 1 343.490 4.235 20 10 EICDMO CO[C@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)c1ccccc1 ZINC000788561173 1047225649 /nfs/dbraw/zinc/22/56/49/1047225649.db2.gz FYGXBXIAOWTAFS-BLLLJJGKSA-N 1 1 339.357 4.449 20 10 EICDMO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788602265 1047243077 /nfs/dbraw/zinc/24/30/77/1047243077.db2.gz APHVJBYYQOBMFG-RKDXNWHRSA-N 1 1 328.334 4.428 20 10 EICDMO CCc1cnc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)s1 ZINC000788607055 1047246387 /nfs/dbraw/zinc/24/63/87/1047246387.db2.gz BTWUPWFPQQRKAO-SECBINFHSA-N 1 1 330.375 4.281 20 10 EICDMO C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788642066 1047257541 /nfs/dbraw/zinc/25/75/41/1047257541.db2.gz DDHCLEFLGGZNHR-BDAKNGLRSA-N 1 1 345.283 4.029 20 10 EICDMO Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)c1 ZINC000788670120 1047268458 /nfs/dbraw/zinc/26/84/58/1047268458.db2.gz RQUCEJCZFOGYES-WBMJQRKESA-N 1 1 339.357 4.104 20 10 EICDMO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788668661 1047268533 /nfs/dbraw/zinc/26/85/33/1047268533.db2.gz XMSGUCVQMUIEFJ-GXFFZTMASA-N 1 1 345.386 4.165 20 10 EICDMO C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cccc(C(F)(F)F)c1O ZINC000788669969 1047269026 /nfs/dbraw/zinc/26/90/26/1047269026.db2.gz HASSWCSACWGQGN-VXGBXAGGSA-N 1 1 329.362 4.163 20 10 EICDMO C[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cccc(C(F)(F)F)c1O ZINC000788817777 1047318073 /nfs/dbraw/zinc/31/80/73/1047318073.db2.gz NBFWRLSWMFCPKK-NSHDSACASA-N 1 1 349.356 4.181 20 10 EICDMO CCOC[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)C(C)C ZINC000788984599 1047339813 /nfs/dbraw/zinc/33/98/13/1047339813.db2.gz LAVCSRGTRKYBHQ-IINYFYTJSA-N 1 1 348.256 4.006 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1ccco1)Cc1ccc2c[nH]nc2c1 ZINC000154730917 1047454363 /nfs/dbraw/zinc/45/43/63/1047454363.db2.gz KUAYNYJRKJUEBX-UHFFFAOYSA-N 1 1 333.391 4.064 20 10 EICDMO COc1ccc(C[C@H]2CCC[N@@H+](Cc3cc(F)c(F)cc3[O-])C2)cc1 ZINC001142527588 1047526882 /nfs/dbraw/zinc/52/68/82/1047526882.db2.gz ZXOJJQDLSSURQL-OAHLLOKOSA-N 1 1 347.405 4.134 20 10 EICDMO COc1ccc(C[C@H]2CCC[N@H+](Cc3cc(F)c(F)cc3O)C2)cc1 ZINC001142527588 1047526886 /nfs/dbraw/zinc/52/68/86/1047526886.db2.gz ZXOJJQDLSSURQL-OAHLLOKOSA-N 1 1 347.405 4.134 20 10 EICDMO COc1ccc(C[C@H]2CCC[N@@H+](Cc3cc(F)c(F)cc3O)C2)cc1 ZINC001142527588 1047526891 /nfs/dbraw/zinc/52/68/91/1047526891.db2.gz ZXOJJQDLSSURQL-OAHLLOKOSA-N 1 1 347.405 4.134 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1F ZINC000814170027 1047871962 /nfs/dbraw/zinc/87/19/62/1047871962.db2.gz QGGFVFHQKNIBCW-SJORKVTESA-N 1 1 326.406 4.149 20 10 EICDMO COc1cc(O)c(C[N@@H+](C(C)C)[C@H](C)c2ccccc2)cc1OC ZINC000814170247 1047873163 /nfs/dbraw/zinc/87/31/63/1047873163.db2.gz STHIRLJNCGICHS-OAHLLOKOSA-N 1 1 329.440 4.381 20 10 EICDMO Oc1ccc2ccccc2c1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824696073 1047904452 /nfs/dbraw/zinc/90/44/52/1047904452.db2.gz HJFIINGNNCTGIW-DFQSSKMNSA-N 1 1 325.452 4.061 20 10 EICDMO Cc1cc(O)c(C[NH2+]Cc2nc(C(F)(F)F)cs2)cc1Cl ZINC000825297309 1048066703 /nfs/dbraw/zinc/06/67/03/1048066703.db2.gz AOWDAAVQFYEGSR-UHFFFAOYSA-N 1 1 336.766 4.119 20 10 EICDMO Cc1cc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)ccc1N(C)C ZINC000815055304 1048305403 /nfs/dbraw/zinc/30/54/03/1048305403.db2.gz ZNMCFVRLUAIJFK-OAQYLSRUSA-N 1 1 338.495 4.100 20 10 EICDMO COc1cc(Br)cc(CNc2cccc(C3CC3)[nH+]2)c1O ZINC000815143344 1048365921 /nfs/dbraw/zinc/36/59/21/1048365921.db2.gz IBISHLYJRSVXQY-UHFFFAOYSA-N 1 1 349.228 4.048 20 10 EICDMO C[N@@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)Cc1ccccn1 ZINC000809640427 1048451024 /nfs/dbraw/zinc/45/10/24/1048451024.db2.gz WUXMOITXPXQZFP-UHFFFAOYSA-N 1 1 343.474 4.276 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)cc1F ZINC000809729346 1048478120 /nfs/dbraw/zinc/47/81/20/1048478120.db2.gz SMAAUBPNNUYEAT-LJQANCHMSA-N 1 1 327.447 4.404 20 10 EICDMO CSC1(C[N@@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)CC1 ZINC000809731605 1048481929 /nfs/dbraw/zinc/48/19/29/1048481929.db2.gz LFBHNCJCDUJCKA-UHFFFAOYSA-N 1 1 330.497 4.243 20 10 EICDMO CN(C)c1ccc(C[N@H+](Cc2ccco2)C[C@H]2CCC=CO2)cc1 ZINC000809731927 1048483912 /nfs/dbraw/zinc/48/39/12/1048483912.db2.gz XJTAMTCCZKXQPK-LJQANCHMSA-N 1 1 326.440 4.041 20 10 EICDMO Cc1ccc(C[N@@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)cn1 ZINC000809731948 1048485326 /nfs/dbraw/zinc/48/53/26/1048485326.db2.gz YKJUGPNYNMVYRO-UHFFFAOYSA-N 1 1 335.451 4.251 20 10 EICDMO Cc1ccc(C[N@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)cn1 ZINC000809731948 1048485337 /nfs/dbraw/zinc/48/53/37/1048485337.db2.gz YKJUGPNYNMVYRO-UHFFFAOYSA-N 1 1 335.451 4.251 20 10 EICDMO C[C@@H]1[C@H](N2CCCC2)CC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000809724594 1048498812 /nfs/dbraw/zinc/49/88/12/1048498812.db2.gz RCGSMAGYWWCPDI-DYESRHJHSA-N 1 1 336.479 4.118 20 10 EICDMO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc(-c2ccccc2)ccc1O ZINC000809724594 1048498819 /nfs/dbraw/zinc/49/88/19/1048498819.db2.gz RCGSMAGYWWCPDI-DYESRHJHSA-N 1 1 336.479 4.118 20 10 EICDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000809768598 1048503285 /nfs/dbraw/zinc/50/32/85/1048503285.db2.gz PZJNLMRNIPWBDB-FQEVSTJZSA-N 1 1 338.499 4.354 20 10 EICDMO CC[N@@H+](Cc1cccc(-c2ccncc2)c1)Cc1cccc(OC)c1O ZINC000809747902 1048517952 /nfs/dbraw/zinc/51/79/52/1048517952.db2.gz HXMHSKDGRGYXRZ-UHFFFAOYSA-N 1 1 348.446 4.485 20 10 EICDMO Cc1cccc2nc(C[NH2+][C@@H](C)c3cccc(C(F)(F)F)c3O)cn21 ZINC000815578254 1048519037 /nfs/dbraw/zinc/51/90/37/1048519037.db2.gz KOOIXMTUYQTTGU-LBPRGKRZSA-N 1 1 349.356 4.218 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2CCCCC[C@H]2c2c(C)n[nH]c2C)c1 ZINC000809757931 1048521875 /nfs/dbraw/zinc/52/18/75/1048521875.db2.gz WLBXKCQPXSIRQO-SFHVURJKSA-N 1 1 343.471 4.248 20 10 EICDMO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cc(C)cc(Br)c1O ZINC000809765223 1048525390 /nfs/dbraw/zinc/52/53/90/1048525390.db2.gz LLRZPAXMDYMEHS-INIZCTEOSA-N 1 1 349.272 4.441 20 10 EICDMO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(C)cc(Br)c1O ZINC000809765223 1048525403 /nfs/dbraw/zinc/52/54/03/1048525403.db2.gz LLRZPAXMDYMEHS-INIZCTEOSA-N 1 1 349.272 4.441 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1O ZINC000815590754 1048526716 /nfs/dbraw/zinc/52/67/16/1048526716.db2.gz HZPCFWJOJDVKOH-SNVBAGLBSA-N 1 1 340.301 4.170 20 10 EICDMO Cc1cc(C[C@H](C)[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)n[nH]1 ZINC000815596899 1048529120 /nfs/dbraw/zinc/52/91/20/1048529120.db2.gz HFKFPRRWAVUPTG-KKSFZXQISA-N 1 1 349.478 4.318 20 10 EICDMO CCC[C@]1(CO)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000809790980 1048536298 /nfs/dbraw/zinc/53/62/98/1048536298.db2.gz RGYMAPFCOGJFMV-NRFANRHFSA-N 1 1 325.452 4.044 20 10 EICDMO CCn1nc(C)c(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)c1C ZINC000815574607 1048539016 /nfs/dbraw/zinc/53/90/16/1048539016.db2.gz WHCVVOBXTDLNEA-JTQLQIEISA-N 1 1 341.377 4.095 20 10 EICDMO C[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1cccc(C(F)(F)F)c1O ZINC000815617868 1048544903 /nfs/dbraw/zinc/54/49/03/1048544903.db2.gz XBTDOHYFKIGSKZ-JECHBYEQSA-N 1 1 343.389 4.267 20 10 EICDMO C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc2ccccc2c1[O-] ZINC000815647382 1048571283 /nfs/dbraw/zinc/57/12/83/1048571283.db2.gz IXEVMEXMRSPPMB-KRWDZBQOSA-N 1 1 326.484 4.462 20 10 EICDMO Cc1cccc(C[N@@H+](C)Cc2cc(Br)c(F)cc2O)c1 ZINC001144298852 1048573994 /nfs/dbraw/zinc/57/39/94/1048573994.db2.gz LUCZOCJQXPQJDK-UHFFFAOYSA-N 1 1 338.220 4.234 20 10 EICDMO Cc1cccc(C[N@H+](C)Cc2cc(Br)c(F)cc2O)c1 ZINC001144298852 1048574010 /nfs/dbraw/zinc/57/40/10/1048574010.db2.gz LUCZOCJQXPQJDK-UHFFFAOYSA-N 1 1 338.220 4.234 20 10 EICDMO Cc1cc(Br)c(O)c(CNc2cc(C3CC3)cc[nH+]2)c1 ZINC000810176234 1048668275 /nfs/dbraw/zinc/66/82/75/1048668275.db2.gz WSNSNMFDIFTZMV-UHFFFAOYSA-N 1 1 333.229 4.348 20 10 EICDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccnc1C(F)(F)F ZINC001144560576 1048728687 /nfs/dbraw/zinc/72/86/87/1048728687.db2.gz BUGWCYMQAUQUAK-UHFFFAOYSA-N 1 1 337.389 4.189 20 10 EICDMO COc1ccc(O)c([C@H](C)NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)c1 ZINC000845973103 1048771558 /nfs/dbraw/zinc/77/15/58/1048771558.db2.gz XJTMCZFEYXTUCF-TWOQFEAHSA-N 1 1 346.515 4.095 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c(C(F)(F)F)c1 ZINC000846117447 1048815109 /nfs/dbraw/zinc/81/51/09/1048815109.db2.gz PZGJMQGTMMXTBZ-CQSZACIVSA-N 1 1 334.332 4.003 20 10 EICDMO Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846118561 1048815582 /nfs/dbraw/zinc/81/55/82/1048815582.db2.gz XMGJCDLEVSJBMP-LJQANCHMSA-N 1 1 345.389 4.202 20 10 EICDMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816521117 1048820397 /nfs/dbraw/zinc/82/03/97/1048820397.db2.gz HPECPAMAGAUALW-MRXNPFEDSA-N 1 1 341.451 4.101 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000816516224 1048823075 /nfs/dbraw/zinc/82/30/75/1048823075.db2.gz YITVQYPPZYKKGB-OAHLLOKOSA-N 1 1 349.833 4.223 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000816516224 1048823076 /nfs/dbraw/zinc/82/30/76/1048823076.db2.gz YITVQYPPZYKKGB-OAHLLOKOSA-N 1 1 349.833 4.223 20 10 EICDMO COCC[N@@H+](Cc1ccc(C)o1)Cc1ccc2ccccc2c1O ZINC000816515748 1048824545 /nfs/dbraw/zinc/82/45/45/1048824545.db2.gz JQPITNVROFQJLA-UHFFFAOYSA-N 1 1 325.408 4.095 20 10 EICDMO Cc1cc(Cl)cc(C[NH2+]Cc2cccc(Br)c2O)c1 ZINC000816592373 1048832337 /nfs/dbraw/zinc/83/23/37/1048832337.db2.gz IFSLKPJCENYHHU-UHFFFAOYSA-N 1 1 340.648 4.406 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC000816548108 1048828869 /nfs/dbraw/zinc/82/88/69/1048828869.db2.gz UZIFEHXALIGRIT-IBGZPJMESA-N 1 1 342.801 4.459 20 10 EICDMO Cc1ccc(OC(F)F)c(C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816556619 1048834085 /nfs/dbraw/zinc/83/40/85/1048834085.db2.gz OZEIPERDKJYNKR-UHFFFAOYSA-N 1 1 345.748 4.384 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000816560666 1048835860 /nfs/dbraw/zinc/83/58/60/1048835860.db2.gz WWTRRULYWAWHGS-SCLBCKFNSA-N 1 1 335.806 4.052 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000816593705 1048840342 /nfs/dbraw/zinc/84/03/42/1048840342.db2.gz AYBQJEAZMMZWKL-CQSZACIVSA-N 1 1 348.849 4.191 20 10 EICDMO CC(C)[C@]1(CO)CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000816662035 1048850178 /nfs/dbraw/zinc/85/01/78/1048850178.db2.gz GDEPAFCEUVFSKF-JOCHJYFZSA-N 1 1 339.479 4.290 20 10 EICDMO COc1cc(O)c(C[N@@H+](C(C)C)[C@@H](C)c2ccsc2)cc1OC ZINC000817415939 1048966899 /nfs/dbraw/zinc/96/68/99/1048966899.db2.gz AVABPJATAZBVRT-ZDUSSCGKSA-N 1 1 335.469 4.443 20 10 EICDMO C[C@H]([NH2+]CCc1ccc(N)cc1)c1cc(Cl)c(Cl)cc1O ZINC000817957075 1049066480 /nfs/dbraw/zinc/06/64/80/1049066480.db2.gz IIUARDNGJYJNBW-JTQLQIEISA-N 1 1 325.239 4.175 20 10 EICDMO C[C@@H](NC[C@@]1(C)CCC[NH2+]C1)c1ccc(N2CCCCCC2)cc1 ZINC000817965013 1049073183 /nfs/dbraw/zinc/07/31/83/1049073183.db2.gz MTNYEEAHGBFJLI-NQIIRXRSSA-N 1 1 329.532 4.107 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc3ccc(F)c(F)c3n2)cc1 ZINC000820850294 1049567908 /nfs/dbraw/zinc/56/79/08/1049567908.db2.gz BAIAGHXTEOKBJQ-UHFFFAOYSA-N 1 1 341.405 4.211 20 10 EICDMO CCN(C)c1ccc([C@@H](C)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000773076562 1049567825 /nfs/dbraw/zinc/56/78/25/1049567825.db2.gz ODOMQSSITKGDTM-RTBURBONSA-N 1 1 331.548 4.161 20 10 EICDMO CCN(C)c1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000773076562 1049567834 /nfs/dbraw/zinc/56/78/34/1049567834.db2.gz ODOMQSSITKGDTM-RTBURBONSA-N 1 1 331.548 4.161 20 10 EICDMO C[NH+](C)Cc1cccc(NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000036979923 1049652962 /nfs/dbraw/zinc/65/29/62/1049652962.db2.gz YRFVMHOITPMRCK-UHFFFAOYSA-N 1 1 325.239 4.373 20 10 EICDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(C)c2O)cc1OC ZINC000179660381 1049713162 /nfs/dbraw/zinc/71/31/62/1049713162.db2.gz CBUNDKMGMGIFHX-KRWDZBQOSA-N 1 1 327.424 4.055 20 10 EICDMO COc1cc(O)c(C[N@@H+](C)[C@H](C)c2cc3ccccc3o2)cc1OC ZINC000179665367 1049715413 /nfs/dbraw/zinc/71/54/13/1049715413.db2.gz NDXWAJAPRZFGRB-CYBMUJFWSA-N 1 1 341.407 4.349 20 10 EICDMO COc1ccc(N(C)CC[N@@H+](C)Cc2ccc3ccccc3c2)cc1 ZINC001171729065 1049784787 /nfs/dbraw/zinc/78/47/87/1049784787.db2.gz GBWFFVNYVIXGPX-UHFFFAOYSA-N 1 1 334.463 4.417 20 10 EICDMO C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@@H]1OCCc2sccc21 ZINC000813792529 1049817903 /nfs/dbraw/zinc/81/79/03/1049817903.db2.gz ABJMOFWIBVBHHU-ABKXIKBNSA-N 1 1 341.835 4.038 20 10 EICDMO CC[N@H+](Cc1ccc(N(C)Cc2cccs2)cc1)C[C@@H]1CCOC1 ZINC000823404868 1049845505 /nfs/dbraw/zinc/84/55/05/1049845505.db2.gz XEIKBOWKXMDYFV-SFHVURJKSA-N 1 1 344.524 4.243 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CSc2ccccc2C1 ZINC001172201866 1049863718 /nfs/dbraw/zinc/86/37/18/1049863718.db2.gz KKRWNGBVBVUJNA-HXUWFJFHSA-N 1 1 338.520 4.436 20 10 EICDMO CC[C@@H](C)OCC[C@@H](C)[N@H+]1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001172338085 1049887571 /nfs/dbraw/zinc/88/75/71/1049887571.db2.gz ACYNOFJHYNKIIU-HZPDHXFCSA-N 1 1 344.499 4.139 20 10 EICDMO CC[N@@H+](Cc1ccccc1O)[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173079047 1050294455 /nfs/dbraw/zinc/29/44/55/1050294455.db2.gz VDPFXCFODKBTHE-NVXWUHKLSA-N 1 1 348.487 4.002 20 10 EICDMO CC[N@@H+](Cc1ccccc1O)[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173079057 1050294848 /nfs/dbraw/zinc/29/48/48/1050294848.db2.gz VDPFXCFODKBTHE-WBVHZDCISA-N 1 1 348.487 4.002 20 10 EICDMO COc1c(O)c(C[N@@H+]2CCCC[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000775069763 1050461855 /nfs/dbraw/zinc/46/18/55/1050461855.db2.gz SVXGJSLPMXDUTP-MRXNPFEDSA-N 1 1 342.395 4.036 20 10 EICDMO COc1c(O)c(C[N@H+]2CCCC[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000775069763 1050461860 /nfs/dbraw/zinc/46/18/60/1050461860.db2.gz SVXGJSLPMXDUTP-MRXNPFEDSA-N 1 1 342.395 4.036 20 10 EICDMO CCN(C)c1ccc(C[N@@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000773756261 1050504597 /nfs/dbraw/zinc/50/45/97/1050504597.db2.gz VFEYFBXBPMHGHT-UPCLLVRISA-N 1 1 344.524 4.073 20 10 EICDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ncc(-c3cccc(F)c3)o2)c1 ZINC000182325194 1050611788 /nfs/dbraw/zinc/61/17/88/1050611788.db2.gz XRBZZRAEURMLAK-GFCCVEGCSA-N 1 1 342.370 4.046 20 10 EICDMO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000182465900 1050687878 /nfs/dbraw/zinc/68/78/78/1050687878.db2.gz LVCCCZSBSLCPCK-KGLIPLIRSA-N 1 1 338.407 4.468 20 10 EICDMO CCN(C)c1ccc(C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)cc1 ZINC000773826102 1050773659 /nfs/dbraw/zinc/77/36/59/1050773659.db2.gz ZFWMBJHCODOJBJ-UHFFFAOYSA-N 1 1 341.886 4.480 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1ccco1)Cc1cccn1C(F)F ZINC001179849732 1050796616 /nfs/dbraw/zinc/79/66/16/1050796616.db2.gz HUFZBKZHIZUNSU-UHFFFAOYSA-N 1 1 332.350 4.384 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1ccco1)Cc1cccn1C(F)F ZINC001179849732 1050796622 /nfs/dbraw/zinc/79/66/22/1050796622.db2.gz HUFZBKZHIZUNSU-UHFFFAOYSA-N 1 1 332.350 4.384 20 10 EICDMO Cc1ccc(C[C@H]2CCC[N@H+](Cc3cc(F)c(F)cc3O)C2)cc1 ZINC001179858526 1050807372 /nfs/dbraw/zinc/80/73/72/1050807372.db2.gz GCJLMCMWKMHEDX-MRXNPFEDSA-N 1 1 331.406 4.434 20 10 EICDMO Cc1ccc(C[C@H]2CCC[N@@H+](Cc3cc(F)c(F)cc3O)C2)cc1 ZINC001179858526 1050807384 /nfs/dbraw/zinc/80/73/84/1050807384.db2.gz GCJLMCMWKMHEDX-MRXNPFEDSA-N 1 1 331.406 4.434 20 10 EICDMO COc1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2c2ccc(C)o2)c(O)c1OC ZINC001179962791 1050848948 /nfs/dbraw/zinc/84/89/48/1050848948.db2.gz SJSRDQWUIDMKPD-XJKSGUPXSA-N 1 1 345.439 4.284 20 10 EICDMO CCc1cccc(C[N@H+]2CCC[C@H]2Cc2cccc(OC)c2)c1O ZINC001179966790 1050850588 /nfs/dbraw/zinc/85/05/88/1050850588.db2.gz SWTWHLSZVNJBEE-IBGZPJMESA-N 1 1 325.452 4.170 20 10 EICDMO COc1cccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)c1F ZINC001180072281 1050872025 /nfs/dbraw/zinc/87/20/25/1050872025.db2.gz POLIZCOXFUGWNH-UHFFFAOYSA-N 1 1 330.447 4.311 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1Cl ZINC001180077731 1050876259 /nfs/dbraw/zinc/87/62/59/1050876259.db2.gz TXIHQIIAFAQBGN-SJCJKPOMSA-N 1 1 337.872 4.378 20 10 EICDMO Cc1cc(O)c(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1Cl ZINC001180077731 1050876263 /nfs/dbraw/zinc/87/62/63/1050876263.db2.gz TXIHQIIAFAQBGN-SJCJKPOMSA-N 1 1 337.872 4.378 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CC[C@H](c3ccco3)C2)c(C(F)(F)F)c1 ZINC001180267600 1050940741 /nfs/dbraw/zinc/94/07/41/1050940741.db2.gz YQCGLFXFSRSUDV-AWEZNQCLSA-N 1 1 338.373 4.354 20 10 EICDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@H](COc3ccccc3)C2)cc1 ZINC001180318141 1050950880 /nfs/dbraw/zinc/95/08/80/1050950880.db2.gz XIYCVTLKLYVQRB-HCZHMGAMSA-N 1 1 336.479 4.167 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1cn2ccnc2s1)C1CCCC1 ZINC001180288593 1050956438 /nfs/dbraw/zinc/95/64/38/1050956438.db2.gz ITCHPTVWZIJPTJ-UHFFFAOYSA-N 1 1 327.453 4.046 20 10 EICDMO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1cc(F)c(F)cc1O ZINC001180349503 1050964744 /nfs/dbraw/zinc/96/47/44/1050964744.db2.gz MMLDENMLXBWJLN-BMLIUANNSA-N 1 1 341.785 4.190 20 10 EICDMO C[N@@H+](Cc1ccc(Br)o1)Cc1ccc(Cl)cc1O ZINC001180392764 1050976036 /nfs/dbraw/zinc/97/60/36/1050976036.db2.gz HQWSFPMYELPIAQ-UHFFFAOYSA-N 1 1 330.609 4.033 20 10 EICDMO Oc1ccccc1C[N@@H+](CCc1cccc(Cl)c1)C[C@H]1CCCO1 ZINC001180430049 1050985708 /nfs/dbraw/zinc/98/57/08/1050985708.db2.gz KXMRVRNCNOYNSA-LJQANCHMSA-N 1 1 345.870 4.269 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1ccco1)Cc1cc(F)ccc1O ZINC000183244321 1051040891 /nfs/dbraw/zinc/04/08/91/1051040891.db2.gz YCQSZMRSHKQUTA-UHFFFAOYSA-N 1 1 327.355 4.032 20 10 EICDMO C[C@H]([NH2+]Cc1cc(Br)cs1)c1ccc(F)cc1O ZINC000071307951 1051124110 /nfs/dbraw/zinc/12/41/10/1051124110.db2.gz MZSYAQHRKWHAHS-QMMMGPOBSA-N 1 1 330.222 4.206 20 10 EICDMO Cc1cc(CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)ccc1N(C)C ZINC001190651672 1051244416 /nfs/dbraw/zinc/24/44/16/1051244416.db2.gz PKCMQYFWIVYDFF-OAQYLSRUSA-N 1 1 343.559 4.005 20 10 EICDMO COc1ccc(O)c(C[N@H+]2C[C@@H](C)CC[C@H]2c2ccccc2OC)c1 ZINC001181674873 1051275470 /nfs/dbraw/zinc/27/54/70/1051275470.db2.gz PRIPIAMOLQAAQS-KXBFYZLASA-N 1 1 341.451 4.383 20 10 EICDMO CCN(C)c1ccc(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC001191060228 1051336704 /nfs/dbraw/zinc/33/67/04/1051336704.db2.gz ZBQZAPKZYHENMG-CTNGQTDRSA-N 1 1 343.559 4.229 20 10 EICDMO CCC[N@@H+](Cc1ccc(N(C)CC)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC001191174014 1051374833 /nfs/dbraw/zinc/37/48/33/1051374833.db2.gz MSZDVHZEXIPMAW-XUVXKRRUSA-N 1 1 330.516 4.168 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[NH2+]C(C)(C)c2cccc(F)c2)c1O ZINC000775446154 1051402407 /nfs/dbraw/zinc/40/24/07/1051402407.db2.gz WCSNCZNEQYEPQG-UHFFFAOYSA-N 1 1 335.806 4.412 20 10 EICDMO CC(C)[C@@H]1[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC12CCCC2 ZINC001182335073 1051518750 /nfs/dbraw/zinc/51/87/50/1051518750.db2.gz SHROEWWJQICZTM-NRFANRHFSA-N 1 1 342.527 4.048 20 10 EICDMO CCCc1cccc(C[N@@H+](C)CCN(C)c2ccc(OC)cc2)c1 ZINC001182725522 1051688407 /nfs/dbraw/zinc/68/84/07/1051688407.db2.gz KNELQABFLFEPLO-UHFFFAOYSA-N 1 1 326.484 4.216 20 10 EICDMO C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2O)CCc2ccccc21 ZINC001182734171 1051691945 /nfs/dbraw/zinc/69/19/45/1051691945.db2.gz PFDBOIZBJYXGHL-CYBMUJFWSA-N 1 1 346.268 4.317 20 10 EICDMO CC[C@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1cc(Cl)ccc1O ZINC000775523756 1051700710 /nfs/dbraw/zinc/70/07/10/1051700710.db2.gz MBIXKPRKMCEUJR-GJZGRUSLSA-N 1 1 341.785 4.098 20 10 EICDMO Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)c(O)c1 ZINC001183137152 1051798353 /nfs/dbraw/zinc/79/83/53/1051798353.db2.gz PABFFKIBQKWOJE-LJQANCHMSA-N 1 1 338.451 4.016 20 10 EICDMO CCC[N@@H+](Cc1cc(C)cc(OC)c1O)[C@H]1CCCc2cccnc21 ZINC000774612451 1051826490 /nfs/dbraw/zinc/82/64/90/1051826490.db2.gz PFUYDWFHFNJGOW-SFHVURJKSA-N 1 1 340.467 4.394 20 10 EICDMO Cc1cc(C[N@H+]2CCCC(F)(F)CC2)c(O)cc1Br ZINC001250120697 1051879096 /nfs/dbraw/zinc/87/90/96/1051879096.db2.gz NDUKPYLQSZUPIB-UHFFFAOYSA-N 1 1 334.204 4.084 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](c3ccccc3)C2)c1O ZINC001194536029 1052165898 /nfs/dbraw/zinc/16/58/98/1052165898.db2.gz XSFYGBWRXCBPGP-INIZCTEOSA-N 1 1 327.399 4.114 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCc3ccccc3C2)c1O ZINC001176908244 1052209066 /nfs/dbraw/zinc/20/90/66/1052209066.db2.gz BRGMXVSGAILCIY-GOSISDBHSA-N 1 1 343.854 4.238 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H]2CCc3ccccc3C2)c1O ZINC001176908244 1052209072 /nfs/dbraw/zinc/20/90/72/1052209072.db2.gz BRGMXVSGAILCIY-GOSISDBHSA-N 1 1 343.854 4.238 20 10 EICDMO Cc1ccc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000764144676 1053033833 /nfs/dbraw/zinc/03/38/33/1053033833.db2.gz YVIYNFXTIDYLNN-LJQANCHMSA-N 1 1 338.495 4.333 20 10 EICDMO C[N@H+](Cc1ccccc1O)Cc1cc(Cl)ccc1Br ZINC001137526404 1053093597 /nfs/dbraw/zinc/09/35/97/1053093597.db2.gz NLVYJHIFZVASGI-UHFFFAOYSA-N 1 1 340.648 4.440 20 10 EICDMO C[N@@H+](Cc1ccccc1O)Cc1cc(Cl)ccc1Br ZINC001137526404 1053093615 /nfs/dbraw/zinc/09/36/15/1053093615.db2.gz NLVYJHIFZVASGI-UHFFFAOYSA-N 1 1 340.648 4.440 20 10 EICDMO CCN(C)c1ccc(C[N@@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)cc1 ZINC001194764541 1053098838 /nfs/dbraw/zinc/09/88/38/1053098838.db2.gz MHHJYOQGHOKNKW-MOPGFXCFSA-N 1 1 340.511 4.129 20 10 EICDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1O ZINC000775630422 1053217872 /nfs/dbraw/zinc/21/78/72/1053217872.db2.gz LCHLZRVSWWBFEH-OAHLLOKOSA-N 1 1 335.245 4.128 20 10 EICDMO C[C@H](NCC1([NH+](C)C)CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000764652987 1053246303 /nfs/dbraw/zinc/24/63/03/1053246303.db2.gz FFXZITLNHCGAJW-SFHVURJKSA-N 1 1 329.532 4.202 20 10 EICDMO C[C@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1cc(F)cc(F)c1O ZINC000850520957 1053276747 /nfs/dbraw/zinc/27/67/47/1053276747.db2.gz KHVXLSYRPNVNOA-JTQLQIEISA-N 1 1 337.341 4.202 20 10 EICDMO C[C@@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1cccc(C(F)(F)F)c1O ZINC000850542204 1053304005 /nfs/dbraw/zinc/30/40/05/1053304005.db2.gz JDJANUHXAWGTPL-QLJPJBMISA-N 1 1 337.341 4.455 20 10 EICDMO CC[C@H]([NH2+][C@H](c1ccccc1)[C@H](O)C(C)C)c1ccc(F)cc1O ZINC000850554433 1053310805 /nfs/dbraw/zinc/31/08/05/1053310805.db2.gz JPIDWIDILVZQSC-DFQSSKMNSA-N 1 1 331.431 4.330 20 10 EICDMO C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1O ZINC000850555536 1053313107 /nfs/dbraw/zinc/31/31/07/1053313107.db2.gz HRVRXPKFYRTNOJ-JDNHERCYSA-N 1 1 344.213 4.222 20 10 EICDMO C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)c1ccccc1 ZINC000850584753 1053334468 /nfs/dbraw/zinc/33/44/68/1053334468.db2.gz SVMXJCXNPCPUPY-WVQJBOLRSA-N 1 1 340.250 4.472 20 10 EICDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cccc(C)c2O)c(OC)c1 ZINC000775647689 1053367231 /nfs/dbraw/zinc/36/72/31/1053367231.db2.gz ZCXQAKFWBQFXNY-GOSISDBHSA-N 1 1 327.424 4.055 20 10 EICDMO C[C@H](N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(N2CCCCC2)c(F)c1 ZINC000764962449 1053397929 /nfs/dbraw/zinc/39/79/29/1053397929.db2.gz JDBQEDOYXQXOOU-NBHGPNQESA-N 1 1 345.506 4.093 20 10 EICDMO C[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1ccc(N2CCCCC2)c(F)c1 ZINC000764962449 1053397940 /nfs/dbraw/zinc/39/79/40/1053397940.db2.gz JDBQEDOYXQXOOU-NBHGPNQESA-N 1 1 345.506 4.093 20 10 EICDMO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N2CCCCC2)c(F)c1 ZINC000764962450 1053398248 /nfs/dbraw/zinc/39/82/48/1053398248.db2.gz JDBQEDOYXQXOOU-SCWSEQNSSA-N 1 1 345.506 4.093 20 10 EICDMO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc(N2CCCCC2)c(F)c1 ZINC000764962450 1053398266 /nfs/dbraw/zinc/39/82/66/1053398266.db2.gz JDBQEDOYXQXOOU-SCWSEQNSSA-N 1 1 345.506 4.093 20 10 EICDMO Cc1cccc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1O ZINC000775663294 1053431691 /nfs/dbraw/zinc/43/16/91/1053431691.db2.gz LPBJRJHXUNAONJ-TXEJJXNPSA-N 1 1 341.295 4.263 20 10 EICDMO CCC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000765293084 1053499116 /nfs/dbraw/zinc/49/91/16/1053499116.db2.gz ZUWILBHEYKQYFM-QZTJIDSGSA-N 1 1 347.522 4.199 20 10 EICDMO CCC[N@H+]1CC[C@H](CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000765293084 1053499125 /nfs/dbraw/zinc/49/91/25/1053499125.db2.gz ZUWILBHEYKQYFM-QZTJIDSGSA-N 1 1 347.522 4.199 20 10 EICDMO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000765293085 1053499673 /nfs/dbraw/zinc/49/96/73/1053499673.db2.gz ZUWILBHEYKQYFM-ROUUACIJSA-N 1 1 347.522 4.199 20 10 EICDMO CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000765293085 1053499679 /nfs/dbraw/zinc/49/96/79/1053499679.db2.gz ZUWILBHEYKQYFM-ROUUACIJSA-N 1 1 347.522 4.199 20 10 EICDMO C[C@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1cc(Cl)ccc1O ZINC000797586134 1053538447 /nfs/dbraw/zinc/53/84/47/1053538447.db2.gz WDWSIFSBPXVVLL-ZETCQYMHSA-N 1 1 333.712 4.453 20 10 EICDMO C[C@@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1ccc(N(C)C)cc1 ZINC000797586007 1053539609 /nfs/dbraw/zinc/53/96/09/1053539609.db2.gz SITRNQXWPKSAGG-SNVBAGLBSA-N 1 1 326.337 4.160 20 10 EICDMO Cc1cc(Cl)cc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)c1O ZINC000775679132 1053553820 /nfs/dbraw/zinc/55/38/20/1053553820.db2.gz NJUMCRNWHZLHEQ-SFHVURJKSA-N 1 1 331.843 4.318 20 10 EICDMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(OC)c2O)cc1 ZINC000120877140 1053631690 /nfs/dbraw/zinc/63/16/90/1053631690.db2.gz BRWFDIOAKRDDNQ-SFHVURJKSA-N 1 1 327.424 4.137 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCCCC[C@@H]2c2ccc(C)o2)cc1OC ZINC000775714441 1053657082 /nfs/dbraw/zinc/65/70/82/1053657082.db2.gz OVLVYCGYWZIGQE-MRXNPFEDSA-N 1 1 345.439 4.428 20 10 EICDMO CN(c1ccc(C[NH2+]Cc2cn(C)nc2Cl)cc1)C1CCCCC1 ZINC000856768319 1054104725 /nfs/dbraw/zinc/10/47/25/1054104725.db2.gz UFRUIQWLOVHQFT-UHFFFAOYSA-N 1 1 346.906 4.132 20 10 EICDMO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2F)o1)c1ccc(N(C)C)cc1 ZINC000775833021 1054109794 /nfs/dbraw/zinc/10/97/94/1054109794.db2.gz FVIORQHBFFIKBZ-CQSZACIVSA-N 1 1 339.414 4.398 20 10 EICDMO C[C@H]([NH2+]Cc1ncc(-c2cccs2)o1)c1ccc(N(C)C)cc1 ZINC000775831341 1054111675 /nfs/dbraw/zinc/11/16/75/1054111675.db2.gz QNPQXEOPBUEEOJ-ZDUSSCGKSA-N 1 1 327.453 4.320 20 10 EICDMO CCO[C@H](C)c1nc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000775834780 1054116783 /nfs/dbraw/zinc/11/67/83/1054116783.db2.gz CXKFQGAZLUAWSE-ZIAGYGMSSA-N 1 1 333.501 4.157 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1nnc(-c2cccs2)o1 ZINC000775834189 1054120151 /nfs/dbraw/zinc/12/01/51/1054120151.db2.gz LGAWIWCFBNGUAP-QWHCGFSZSA-N 1 1 342.468 4.276 20 10 EICDMO COc1ccc(C[N@@H+](Cc2ccccc2O)C2CCCCC2)nc1 ZINC000775970535 1054417735 /nfs/dbraw/zinc/41/77/35/1054417735.db2.gz ALBLPAYLNXIZFO-UHFFFAOYSA-N 1 1 326.440 4.131 20 10 EICDMO CCN(CC)c1ccc(CNCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1F ZINC001199732839 1054455852 /nfs/dbraw/zinc/45/58/52/1054455852.db2.gz SLSFMAFQMUAYOV-QGZVFWFLSA-N 1 1 349.538 4.272 20 10 EICDMO CCN(CC)c1ccc(CNCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1F ZINC001199732839 1054455857 /nfs/dbraw/zinc/45/58/57/1054455857.db2.gz SLSFMAFQMUAYOV-QGZVFWFLSA-N 1 1 349.538 4.272 20 10 EICDMO CCOc1cccc(C[N@H+]2CCC[C@@H]2c2cccc(OC)c2)c1O ZINC000124230334 1054459351 /nfs/dbraw/zinc/45/93/51/1054459351.db2.gz WYDUBWHVEQXYJA-GOSISDBHSA-N 1 1 327.424 4.137 20 10 EICDMO C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000020553190 1054714976 /nfs/dbraw/zinc/71/49/76/1054714976.db2.gz LIIBCHMQMJVUNW-GFCCVEGCSA-N 1 1 331.287 4.053 20 10 EICDMO CC1(C)C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)c2ccc(F)cc2O1 ZINC001201595828 1054858826 /nfs/dbraw/zinc/85/88/26/1054858826.db2.gz URUYZCWQBALEHU-HNNXBMFYSA-N 1 1 337.341 4.202 20 10 EICDMO COc1ccc(C[NH2+][C@H](c2cccc(F)c2)c2ccccn2)cc1C ZINC001201777909 1054918746 /nfs/dbraw/zinc/91/87/46/1054918746.db2.gz NYCUIQFWUATFJT-OAQYLSRUSA-N 1 1 336.410 4.417 20 10 EICDMO C[C@H](NCc1ccc(N2CCCC2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001201946482 1054963025 /nfs/dbraw/zinc/96/30/25/1054963025.db2.gz FESZYIKSGKQCQJ-AZUAARDMSA-N 1 1 341.543 4.029 20 10 EICDMO C[C@H](NCc1ccc(N2CCCC2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001201946482 1054963032 /nfs/dbraw/zinc/96/30/32/1054963032.db2.gz FESZYIKSGKQCQJ-AZUAARDMSA-N 1 1 341.543 4.029 20 10 EICDMO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1c(O)cccc1Br ZINC000862243389 1055035013 /nfs/dbraw/zinc/03/50/13/1055035013.db2.gz ZPZXHELZZOHFNY-LLVKDONJSA-N 1 1 336.229 4.053 20 10 EICDMO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1c(O)cccc1Br ZINC000862243389 1055035028 /nfs/dbraw/zinc/03/50/28/1055035028.db2.gz ZPZXHELZZOHFNY-LLVKDONJSA-N 1 1 336.229 4.053 20 10 EICDMO Cc1cc(C#N)ccc1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000186291012 1055324284 /nfs/dbraw/zinc/32/42/84/1055324284.db2.gz VZDODFYBLDKOQX-UHFFFAOYSA-N 1 1 332.403 4.368 20 10 EICDMO Cc1cc(O)c(CN2CC[C@H](C[NH+]3CCCCC3)C2)cc1C(C)C ZINC000742169548 1058531752 /nfs/dbraw/zinc/53/17/52/1058531752.db2.gz SOASFORPSCJXLK-GOSISDBHSA-N 1 1 330.516 4.132 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](CSc3ccccc3)C1)CCC2 ZINC000743382174 1058964693 /nfs/dbraw/zinc/96/46/93/1058964693.db2.gz DLJMTZTUYITVBH-MRXNPFEDSA-N 1 1 339.504 4.495 20 10 EICDMO CCc1cc(CN2CC[C@H](C[NH+](CC)CC)C2)c(O)c(C(C)(C)C)c1 ZINC000743387006 1058969282 /nfs/dbraw/zinc/96/92/82/1058969282.db2.gz CGFLQFASZGHNEC-GOSISDBHSA-N 1 1 346.559 4.416 20 10 EICDMO CCC[N@@H+](Cc1ccn(-c2ccc(F)cc2)n1)Cc1ccccc1O ZINC000743870162 1059191660 /nfs/dbraw/zinc/19/16/60/1059191660.db2.gz JSLMCPFIHGGZLL-UHFFFAOYSA-N 1 1 339.414 4.129 20 10 EICDMO Cc1ccc([C@H](C)[NH2+]CC[C@H](C)N(C)Cc2ccccc2)c(O)c1 ZINC000379627303 1059650221 /nfs/dbraw/zinc/65/02/21/1059650221.db2.gz HUAXTOVWLJUSJH-ROUUACIJSA-N 1 1 326.484 4.262 20 10 EICDMO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CC[N@@H+]1Cc1ccccc1 ZINC000379652389 1059767015 /nfs/dbraw/zinc/76/70/15/1059767015.db2.gz WRSXMKYWXXSVTR-QAPCUYQASA-N 1 1 344.886 4.188 20 10 EICDMO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CC[N@H+]1Cc1ccccc1 ZINC000379652389 1059767042 /nfs/dbraw/zinc/76/70/42/1059767042.db2.gz WRSXMKYWXXSVTR-QAPCUYQASA-N 1 1 344.886 4.188 20 10 EICDMO CCC[N@@H+](Cc1ccc(OC)cc1)Cc1c(O)ccc2ccncc21 ZINC000746034288 1059979557 /nfs/dbraw/zinc/97/95/57/1059979557.db2.gz NBNLACJFZUYRNO-UHFFFAOYSA-N 1 1 336.435 4.361 20 10 EICDMO Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)ccc1N(C)C ZINC001169872569 1061016602 /nfs/dbraw/zinc/01/66/02/1061016602.db2.gz MBIMTQDSAJLLFA-DGEVVOEJSA-N 1 1 344.543 4.213 20 10 EICDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccc2c1CCOC2 ZINC001167108455 1020186529 /nfs/dbraw/zinc/18/65/29/1020186529.db2.gz PMWWESOKSMZLOZ-UHFFFAOYSA-N 1 1 338.495 4.236 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)c1O ZINC001167707645 1022993902 /nfs/dbraw/zinc/99/39/02/1022993902.db2.gz AVLODEJCLGSDIL-HXUWFJFHSA-N 1 1 339.410 4.386 20 10 EICDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1O)[C@@H](C)c1cccc(OC)c1 ZINC000891656492 1023853749 /nfs/dbraw/zinc/85/37/49/1023853749.db2.gz ABUYOUFMYAMUST-AWEZNQCLSA-N 1 1 345.439 4.001 20 10 EICDMO CC[C@@H]([NH2+][C@H](CC)c1ccc(F)cc1O)c1ccc2c(c1)OCCO2 ZINC000796703706 1025017591 /nfs/dbraw/zinc/01/75/91/1025017591.db2.gz UJDBDSJRZPKIQN-IAGOWNOFSA-N 1 1 345.414 4.495 20 10 EICDMO CC[C@@H](N[C@H](c1n[nH]c(C)n1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000162555086 1025153332 /nfs/dbraw/zinc/15/33/32/1025153332.db2.gz UPOOMXAJBVAZPG-UXHICEINSA-N 1 1 349.482 4.009 20 10 EICDMO Cc1ncoc1C[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000894666114 1026304339 /nfs/dbraw/zinc/30/43/39/1026304339.db2.gz RWOWMWOYBKMZFO-CYBMUJFWSA-N 1 1 333.863 4.163 20 10 EICDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3ccccc3Cl)C1)CCC2 ZINC000728905123 1026394148 /nfs/dbraw/zinc/39/41/48/1026394148.db2.gz ZGGYOMIANHMADI-HXUWFJFHSA-N 1 1 343.854 4.108 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](c3ccccc3Cl)C1)CCC2 ZINC000728905123 1026394163 /nfs/dbraw/zinc/39/41/63/1026394163.db2.gz ZGGYOMIANHMADI-HXUWFJFHSA-N 1 1 343.854 4.108 20 10 EICDMO CCC[N@H+](Cc1ncc(C(F)(F)F)s1)Cc1ccccc1O ZINC000279370679 1026394443 /nfs/dbraw/zinc/39/44/43/1026394443.db2.gz IVZLHUBHJWJXIZ-UHFFFAOYSA-N 1 1 330.375 4.280 20 10 EICDMO CCC[N@@H+](Cc1ncc(C(F)(F)F)s1)Cc1ccccc1O ZINC000279370679 1026394458 /nfs/dbraw/zinc/39/44/58/1026394458.db2.gz IVZLHUBHJWJXIZ-UHFFFAOYSA-N 1 1 330.375 4.280 20 10 EICDMO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1nc(C(F)(F)F)cs1 ZINC000279432401 1026426392 /nfs/dbraw/zinc/42/63/92/1026426392.db2.gz GSSFLEUBEGTEKU-YUMQZZPRSA-N 1 1 334.338 4.418 20 10 EICDMO Oc1ccccc1C[N@@H+](CCN1CCc2ccccc21)Cc1ccco1 ZINC001167984676 1026701672 /nfs/dbraw/zinc/70/16/72/1026701672.db2.gz VRXLULDLGXHXDP-UHFFFAOYSA-N 1 1 348.446 4.050 20 10 EICDMO Cc1cccc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[nH+]1 ZINC000302234224 1027276307 /nfs/dbraw/zinc/27/63/07/1027276307.db2.gz GMKNYOMLTWDMQH-AWEZNQCLSA-N 1 1 333.382 4.072 20 10 EICDMO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2O)C[C@H](C)N1Cc1ccccc1 ZINC001168064916 1029635738 /nfs/dbraw/zinc/63/57/38/1029635738.db2.gz SFLBKFUGQSOQTD-RMFSNUHRSA-N 1 1 338.495 4.266 20 10 EICDMO C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2O)C[C@H](C)N1Cc1ccccc1 ZINC001168064916 1029635741 /nfs/dbraw/zinc/63/57/41/1029635741.db2.gz SFLBKFUGQSOQTD-RMFSNUHRSA-N 1 1 338.495 4.266 20 10 EICDMO Cc1cc(C)c(NC(=O)CCC[N@H+](C)Cc2ccccc2O)c(C)c1 ZINC000268933932 1030456709 /nfs/dbraw/zinc/45/67/09/1030456709.db2.gz ZQZFDOVKZQYPMK-UHFFFAOYSA-N 1 1 340.467 4.168 20 10 EICDMO CC[C@@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)c1ccc(F)cc1O ZINC000375894658 1031449864 /nfs/dbraw/zinc/44/98/64/1031449864.db2.gz GALKLFQVOPCKPP-LJQANCHMSA-N 1 1 339.414 4.173 20 10 EICDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(OC)c2O)C1 ZINC000761207054 1036052118 /nfs/dbraw/zinc/05/21/18/1036052118.db2.gz XIUFBHNRKACHFN-KGLIPLIRSA-N 1 1 329.893 4.160 20 10 EICDMO CCC[N@@H+](CC(=O)Nc1ccccc1C(C)C)Cc1ccccc1O ZINC000170779328 1036829241 /nfs/dbraw/zinc/82/92/41/1036829241.db2.gz INLNWPHLURQZEJ-UHFFFAOYSA-N 1 1 340.467 4.366 20 10 EICDMO COc1cccc([C@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)CCO2)c1 ZINC000166110392 1037065452 /nfs/dbraw/zinc/06/54/52/1037065452.db2.gz VIYPCEKOKIVBRU-JOCHJYFZSA-N 1 1 349.430 4.128 20 10 EICDMO CCCOc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2O)cc1OC ZINC000273384009 1037447387 /nfs/dbraw/zinc/44/73/87/1037447387.db2.gz IYPXXTWZMDFJHA-CYBMUJFWSA-N 1 1 333.403 4.180 20 10 EICDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc3c(cc1O)CCC3)CCC2 ZINC000171891091 1037761745 /nfs/dbraw/zinc/76/17/45/1037761745.db2.gz OCCICXFVMYQYHB-KRWDZBQOSA-N 1 1 328.481 4.155 20 10 EICDMO Cc1ncsc1CC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000172522589 1038186249 /nfs/dbraw/zinc/18/62/49/1038186249.db2.gz UOBLKYUVTJRROY-UHFFFAOYSA-N 1 1 329.513 4.116 20 10 EICDMO C[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000913064223 1038642856 /nfs/dbraw/zinc/64/28/56/1038642856.db2.gz HQVUEGBFPMFPDC-UHFFFAOYSA-N 1 1 335.394 4.306 20 10 EICDMO CC(C)[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)c1cnn(C)c1 ZINC000927070979 1039836409 /nfs/dbraw/zinc/83/64/09/1039836409.db2.gz RJYWRECDTJZAPI-XHDPSFHLSA-N 1 1 341.377 4.192 20 10 EICDMO Cc1nc(C2([NH2+]Cc3cc(C(C)C)c(C)cc3O)CCCCC2)no1 ZINC000729850862 1039866769 /nfs/dbraw/zinc/86/67/69/1039866769.db2.gz ZBCQAAUUXAOIBV-UHFFFAOYSA-N 1 1 343.471 4.465 20 10 EICDMO Cc1noc([C@H]2CCC[N@@H+](Cc3cc(C)cc(C(C)(C)C)c3O)C2)n1 ZINC000122532143 1042449525 /nfs/dbraw/zinc/44/95/25/1042449525.db2.gz NYYQFDNKXGVRLV-HNNXBMFYSA-N 1 1 343.471 4.069 20 10 EICDMO Cc1cc(C[N@H+]2CC[C@@H](N3CCCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000730807702 1043627783 /nfs/dbraw/zinc/62/77/83/1043627783.db2.gz WNNQTFBJUKHFPK-GOSISDBHSA-N 1 1 330.516 4.058 20 10 EICDMO Cc1cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000730807702 1043627800 /nfs/dbraw/zinc/62/78/00/1043627800.db2.gz WNNQTFBJUKHFPK-GOSISDBHSA-N 1 1 330.516 4.058 20 10 EICDMO C[C@@H]1CCC[C@H](C)[N@H+]1CCNCc1ccc(N2CCCCC2)cc1 ZINC000730818368 1043632102 /nfs/dbraw/zinc/63/21/02/1043632102.db2.gz QOUMWWVSWCCLLN-KDURUIRLSA-N 1 1 329.532 4.029 20 10 EICDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNCc1ccc(N2CCCCC2)cc1 ZINC000730818368 1043632106 /nfs/dbraw/zinc/63/21/06/1043632106.db2.gz QOUMWWVSWCCLLN-KDURUIRLSA-N 1 1 329.532 4.029 20 10 EICDMO CC[C@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C[C@H](C)O1 ZINC000732186119 1043883314 /nfs/dbraw/zinc/88/33/14/1043883314.db2.gz XUOGHSOECXXCHW-ZFWWWQNUSA-N 1 1 325.408 4.291 20 10 EICDMO COC[C@@H]1CCC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000733183801 1044128642 /nfs/dbraw/zinc/12/86/42/1044128642.db2.gz MHWFVBRUESMSOF-CQSZACIVSA-N 1 1 325.408 4.150 20 10 EICDMO Cc1ccc(C[C@H]2CCC[N@H+]2Cc2c(O)ccc3ccncc32)cc1 ZINC000733301507 1044166886 /nfs/dbraw/zinc/16/68/86/1044166886.db2.gz SXKISBGEWKEVEC-LJQANCHMSA-N 1 1 332.447 4.456 20 10 EICDMO COc1cccc(C[N@@H+](Cc2ccccc2O)C2CCCCC2)n1 ZINC000733613222 1044269154 /nfs/dbraw/zinc/26/91/54/1044269154.db2.gz FNRRWMLCFQETMD-UHFFFAOYSA-N 1 1 326.440 4.131 20 10 EICDMO CCCN(CCC)c1ccc(C[NH2+][C@H](c2ncccn2)C2CC2)cc1 ZINC000922582928 1044827097 /nfs/dbraw/zinc/82/70/97/1044827097.db2.gz PKLVJXSAKOTYAZ-FQEVSTJZSA-N 1 1 338.499 4.344 20 10 EICDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000736596877 1044957301 /nfs/dbraw/zinc/95/73/01/1044957301.db2.gz UOIOBTPSSROIQS-YOEHRIQHSA-N 1 1 336.410 4.458 20 10 EICDMO CCc1ccc(C[N@@H+](Cc2cc(OC)c(OC)cc2O)C2CC2)cc1 ZINC000762171307 1044998810 /nfs/dbraw/zinc/99/88/10/1044998810.db2.gz HGXYSRHSPGITLV-UHFFFAOYSA-N 1 1 341.451 4.136 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1cscc1Cl)C[C@H]1CCCO1 ZINC000768163315 1045729517 /nfs/dbraw/zinc/72/95/17/1045729517.db2.gz XZQNVIGSTQVEMX-OAHLLOKOSA-N 1 1 337.872 4.288 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1cscc1Cl)C[C@H]1CCCO1 ZINC000768163315 1045729531 /nfs/dbraw/zinc/72/95/31/1045729531.db2.gz XZQNVIGSTQVEMX-OAHLLOKOSA-N 1 1 337.872 4.288 20 10 EICDMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2c(O)cccc2OC)cc1 ZINC000768199112 1045740913 /nfs/dbraw/zinc/74/09/13/1045740913.db2.gz AMGWDHKBURHQSF-GOSISDBHSA-N 1 1 327.424 4.137 20 10 EICDMO COc1ccc(C[N@@H+](Cc2cccc(OC)c2O)[C@H](C)C2CC2)cc1 ZINC000768200631 1045741022 /nfs/dbraw/zinc/74/10/22/1045741022.db2.gz PJZWQXADQBQWQU-OAHLLOKOSA-N 1 1 341.451 4.210 20 10 EICDMO CCOc1ccc(C[NH+](Cc2ccco2)Cc2ccco2)c(O)c1 ZINC000768190838 1045749087 /nfs/dbraw/zinc/74/90/87/1045749087.db2.gz BLKZFATVHSTDTK-UHFFFAOYSA-N 1 1 327.380 4.179 20 10 EICDMO CCOc1ccc(C[N@H+]2CCSC[C@H]2c2ccccc2)c(O)c1 ZINC000768249654 1045762583 /nfs/dbraw/zinc/76/25/83/1045762583.db2.gz YEBHHZYKYMWAGL-SFHVURJKSA-N 1 1 329.465 4.081 20 10 EICDMO Oc1c(Br)cccc1C[N@H+](Cc1cccs1)C1CC1 ZINC000768252748 1045763416 /nfs/dbraw/zinc/76/34/16/1045763416.db2.gz OEUGTMLWGMTEBD-UHFFFAOYSA-N 1 1 338.270 4.381 20 10 EICDMO Oc1c(Br)cccc1C[N@@H+](Cc1cccs1)C1CC1 ZINC000768252748 1045763429 /nfs/dbraw/zinc/76/34/29/1045763429.db2.gz OEUGTMLWGMTEBD-UHFFFAOYSA-N 1 1 338.270 4.381 20 10 EICDMO CC(C)c1ncc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000768258842 1045769288 /nfs/dbraw/zinc/76/92/88/1045769288.db2.gz XPEXRBOOOIWFHO-UHFFFAOYSA-N 1 1 329.513 4.497 20 10 EICDMO Cc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000768263437 1045772220 /nfs/dbraw/zinc/77/22/20/1045772220.db2.gz PKKPIIXXSZCCCC-QGZVFWFLSA-N 1 1 342.458 4.164 20 10 EICDMO COc1ccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)cc1OC ZINC000768333616 1045789141 /nfs/dbraw/zinc/78/91/41/1045789141.db2.gz BTYAYHHNTRZUNJ-UHFFFAOYSA-N 1 1 342.483 4.180 20 10 EICDMO CC(=O)Nc1ccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000768351264 1045795874 /nfs/dbraw/zinc/79/58/74/1045795874.db2.gz JIYMKBNBBGHHDA-UHFFFAOYSA-N 1 1 339.483 4.122 20 10 EICDMO CCOc1cccc(C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)c1O ZINC000768423509 1045805630 /nfs/dbraw/zinc/80/56/30/1045805630.db2.gz GFJNBLDTKJKYEO-NRFANRHFSA-N 1 1 348.446 4.198 20 10 EICDMO CCOc1cccc(C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)c1O ZINC000768423509 1045805638 /nfs/dbraw/zinc/80/56/38/1045805638.db2.gz GFJNBLDTKJKYEO-NRFANRHFSA-N 1 1 348.446 4.198 20 10 EICDMO COc1cc(O)c(C[N@H+]2C[C@H](c3ccccc3C)C[C@@H]2C)cc1OC ZINC000768444394 1045807210 /nfs/dbraw/zinc/80/72/10/1045807210.db2.gz AQXZAYXHVKNPLV-JKSUJKDBSA-N 1 1 341.451 4.096 20 10 EICDMO COc1cc(O)c(C[N@@H+]([C@@H](C)c2ccccc2)C2CC2)cc1OC ZINC000768439997 1045807465 /nfs/dbraw/zinc/80/74/65/1045807465.db2.gz MYJNTLVMKKVZNH-AWEZNQCLSA-N 1 1 327.424 4.135 20 10 EICDMO COc1cc(O)c(C[N@@H+](C)Cc2ccc(C(C)C)cc2)cc1OC ZINC000768438708 1045807828 /nfs/dbraw/zinc/80/78/28/1045807828.db2.gz XIZHXZJTZWTBQZ-UHFFFAOYSA-N 1 1 329.440 4.165 20 10 EICDMO COc1cc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)c(O)cc1C ZINC000768464792 1045810732 /nfs/dbraw/zinc/81/07/32/1045810732.db2.gz AFPGSCWDABKHSH-INIZCTEOSA-N 1 1 343.492 4.323 20 10 EICDMO CCOc1ccc(O)c(C[N@@H+](CC)[C@H](C)c2cccc(OC)c2)c1 ZINC000768519749 1045814029 /nfs/dbraw/zinc/81/40/29/1045814029.db2.gz FSFDJPKFKIITBQ-OAHLLOKOSA-N 1 1 329.440 4.383 20 10 EICDMO CCCCOc1cc(C[N@@H+](C)Cc2ccccc2O)ccc1OC ZINC000768872115 1045849616 /nfs/dbraw/zinc/84/96/16/1045849616.db2.gz DCBXSOCBVJNUKN-UHFFFAOYSA-N 1 1 329.440 4.212 20 10 EICDMO COc1ccccc1[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792166082 1045871664 /nfs/dbraw/zinc/87/16/64/1045871664.db2.gz OWIUFNFKKVVQTP-LBPRGKRZSA-N 1 1 335.806 4.183 20 10 EICDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792166082 1045871666 /nfs/dbraw/zinc/87/16/66/1045871666.db2.gz OWIUFNFKKVVQTP-LBPRGKRZSA-N 1 1 335.806 4.183 20 10 EICDMO Oc1ccc([C@H]2CCC[N@H+]2Cc2cc(Br)ccc2O)cc1 ZINC000769105156 1045880764 /nfs/dbraw/zinc/88/07/64/1045880764.db2.gz NBDWYTGKIFYZKE-MRXNPFEDSA-N 1 1 348.240 4.197 20 10 EICDMO CC[N@@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C1CCCCC1 ZINC000769299515 1045911909 /nfs/dbraw/zinc/91/19/09/1045911909.db2.gz QPVDGPFFYKDWBB-UHFFFAOYSA-N 1 1 330.516 4.456 20 10 EICDMO Cc1ccc(O)c(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1 ZINC000769385375 1045945393 /nfs/dbraw/zinc/94/53/93/1045945393.db2.gz WFWKOCNGTBNNQZ-WIYYLYMNSA-N 1 1 338.495 4.186 20 10 EICDMO CCOc1ccc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)c(O)c1 ZINC000769426895 1045957831 /nfs/dbraw/zinc/95/78/31/1045957831.db2.gz JZOHHESKESAJLY-LJQANCHMSA-N 1 1 329.465 4.081 20 10 EICDMO CCOc1cccc(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)c1O ZINC000769471824 1045985378 /nfs/dbraw/zinc/98/53/78/1045985378.db2.gz DFFKEGIAHRUZLO-UZLBHIALSA-N 1 1 341.451 4.061 20 10 EICDMO Oc1ccc(Br)cc1C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000769499929 1045999017 /nfs/dbraw/zinc/99/90/17/1045999017.db2.gz XTYKGXTYRPOKEI-ZFWWWQNUSA-N 1 1 342.302 4.015 20 10 EICDMO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(N(C)C)cc1)CCC2 ZINC000769515442 1046007809 /nfs/dbraw/zinc/00/78/09/1046007809.db2.gz SRIMYAUGNFZUFF-QGZVFWFLSA-N 1 1 329.513 4.281 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1C(C)C ZINC000772828685 1046163686 /nfs/dbraw/zinc/16/36/86/1046163686.db2.gz PFAGSLWRNNNNGB-UTKZUKDTSA-N 1 1 342.527 4.273 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1C(C)C ZINC000772828685 1046163693 /nfs/dbraw/zinc/16/36/93/1046163693.db2.gz PFAGSLWRNNNNGB-UTKZUKDTSA-N 1 1 342.527 4.273 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2c2cn(C)nc2C)cc1F ZINC000770312844 1046178376 /nfs/dbraw/zinc/17/83/76/1046178376.db2.gz QCZGCKPATHZBPW-IBGZPJMESA-N 1 1 344.478 4.051 20 10 EICDMO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000770327129 1046181071 /nfs/dbraw/zinc/18/10/71/1046181071.db2.gz LKYYKZPLRPAOFD-KXBFYZLASA-N 1 1 349.833 4.273 20 10 EICDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000793341378 1046202200 /nfs/dbraw/zinc/20/22/00/1046202200.db2.gz SSXVHLMKDORYRZ-QGZVFWFLSA-N 1 1 344.421 4.162 20 10 EICDMO COc1cc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(O)c(C(C)(C)C)c1 ZINC000793528555 1046261141 /nfs/dbraw/zinc/26/11/41/1046261141.db2.gz LCFJINIYTXSQPF-QAPCUYQASA-N 1 1 339.426 4.175 20 10 EICDMO CC(C)[N@@H+](Cc1ccccc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000771924874 1046517787 /nfs/dbraw/zinc/51/77/87/1046517787.db2.gz RIGVBTKPOLNHRL-UHFFFAOYSA-N 1 1 342.458 4.073 20 10 EICDMO COc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c(Cl)c1OC ZINC000771934914 1046529805 /nfs/dbraw/zinc/52/98/05/1046529805.db2.gz HMNLVILBYCKTSI-UHFFFAOYSA-N 1 1 348.874 4.055 20 10 EICDMO COc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c(Cl)c1OC ZINC000771934914 1046529815 /nfs/dbraw/zinc/52/98/15/1046529815.db2.gz HMNLVILBYCKTSI-UHFFFAOYSA-N 1 1 348.874 4.055 20 10 EICDMO COc1ccc(N2CCC[N@H+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000917090067 1046677560 /nfs/dbraw/zinc/67/75/60/1046677560.db2.gz YQYQYSZHLGEPAC-UHFFFAOYSA-N 1 1 348.849 4.200 20 10 EICDMO COc1ccc(N2CCC[N@@H+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000917090067 1046677572 /nfs/dbraw/zinc/67/75/72/1046677572.db2.gz YQYQYSZHLGEPAC-UHFFFAOYSA-N 1 1 348.849 4.200 20 10 EICDMO COC[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)c1ccc(Cl)cc1 ZINC000786955812 1046883654 /nfs/dbraw/zinc/88/36/54/1046883654.db2.gz DPVRXYZYRPGWJZ-QLJPJBMISA-N 1 1 341.785 4.362 20 10 EICDMO COc1ccccc1OCC[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000917487395 1046919613 /nfs/dbraw/zinc/91/96/13/1046919613.db2.gz ZUBUQAUJEYWMAE-UHFFFAOYSA-N 1 1 337.419 4.065 20 10 EICDMO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccnc(Cl)c1Cl ZINC000787771024 1047052847 /nfs/dbraw/zinc/05/28/47/1047052847.db2.gz ZXPMHBJMIXLAMI-UHFFFAOYSA-N 1 1 338.282 4.477 20 10 EICDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccnc(Cl)c1Cl ZINC000787771024 1047052863 /nfs/dbraw/zinc/05/28/63/1047052863.db2.gz ZXPMHBJMIXLAMI-UHFFFAOYSA-N 1 1 338.282 4.477 20 10 EICDMO CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000806133004 1047126352 /nfs/dbraw/zinc/12/63/52/1047126352.db2.gz FDWOAKMTYPMYTK-WBMJQRKESA-N 1 1 345.314 4.472 20 10 EICDMO C[C@H]([NH2+]CC1(CCO)CCCCC1)c1cccc(C(F)(F)F)c1O ZINC000788629545 1047254903 /nfs/dbraw/zinc/25/49/03/1047254903.db2.gz WDNHIEZVWBQIHH-ZDUSSCGKSA-N 1 1 345.405 4.395 20 10 EICDMO C[C@H]([NH2+]Cc1ccc(Cl)cn1)c1cccc(C(F)(F)F)c1O ZINC000788687058 1047261610 /nfs/dbraw/zinc/26/16/10/1047261610.db2.gz ARJFASSSGWZNSN-VIFPVBQESA-N 1 1 330.737 4.310 20 10 EICDMO C[C@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1cccc(C(F)(F)F)c1O ZINC000788693378 1047266352 /nfs/dbraw/zinc/26/63/52/1047266352.db2.gz SQWNKNICBLUZOF-STQMWFEESA-N 1 1 345.405 4.250 20 10 EICDMO C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cccc(C(F)(F)F)c1O ZINC000788669960 1047268375 /nfs/dbraw/zinc/26/83/75/1047268375.db2.gz HASSWCSACWGQGN-NEPJUHHUSA-N 1 1 329.362 4.163 20 10 EICDMO C[C@@H]([NH2+]CCC[C@H]1CCCCO1)c1cccc(C(F)(F)F)c1O ZINC000788752906 1047289432 /nfs/dbraw/zinc/28/94/32/1047289432.db2.gz XPWHPVXDQBTUHZ-CHWSQXEVSA-N 1 1 331.378 4.411 20 10 EICDMO COc1ccc(F)cc1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788762533 1047291887 /nfs/dbraw/zinc/29/18/87/1047291887.db2.gz HJOUBLFYXPATQB-SNVBAGLBSA-N 1 1 343.320 4.410 20 10 EICDMO C[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)c1cccc(C(F)(F)F)c1O ZINC000788824805 1047320176 /nfs/dbraw/zinc/32/01/76/1047320176.db2.gz WJLURZGMUHUUEW-IUODEOHRSA-N 1 1 343.389 4.411 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)oc1ccccc12 ZINC000789513252 1047435506 /nfs/dbraw/zinc/43/55/06/1047435506.db2.gz KMSZMSBIVNRUOS-XLIONFOSSA-N 1 1 337.419 4.435 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CC[C@]3(C1)CCCOC3)oc1ccccc12 ZINC000789569419 1047441498 /nfs/dbraw/zinc/44/14/98/1047441498.db2.gz ZQZZNRAMKUGXEW-NRFANRHFSA-N 1 1 337.419 4.294 20 10 EICDMO CCn1ccc(C[N@@H+](C)Cc2cc(OC)cc(C(C)(C)C)c2O)c1 ZINC000790450136 1047590978 /nfs/dbraw/zinc/59/09/78/1047590978.db2.gz FHWMOQDNKJXUJP-UHFFFAOYSA-N 1 1 330.472 4.152 20 10 EICDMO CN(C)c1ccc(C[NH2+]Cc2c(F)cccc2OC(F)(F)F)cc1 ZINC000790493064 1047597626 /nfs/dbraw/zinc/59/76/26/1047597626.db2.gz LXLLKABWPQRGAK-UHFFFAOYSA-N 1 1 342.336 4.080 20 10 EICDMO COc1cc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)c(O)c(C(C)(C)C)c1 ZINC000824650499 1047894062 /nfs/dbraw/zinc/89/40/62/1047894062.db2.gz RFLKLTFGZNSRGU-QGZVFWFLSA-N 1 1 343.471 4.149 20 10 EICDMO COc1cc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)c(O)c(C(C)(C)C)c1 ZINC000824650499 1047894068 /nfs/dbraw/zinc/89/40/68/1047894068.db2.gz RFLKLTFGZNSRGU-QGZVFWFLSA-N 1 1 343.471 4.149 20 10 EICDMO OCC[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc(Cl)cc1 ZINC000808429288 1047895471 /nfs/dbraw/zinc/89/54/71/1047895471.db2.gz IBPPDQZSDMWGKF-AWEZNQCLSA-N 1 1 344.213 4.051 20 10 EICDMO OCC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc(Cl)cc1 ZINC000808429289 1047896779 /nfs/dbraw/zinc/89/67/79/1047896779.db2.gz IBPPDQZSDMWGKF-CQSZACIVSA-N 1 1 344.213 4.051 20 10 EICDMO Oc1ccc2ccccc2c1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824696076 1047905562 /nfs/dbraw/zinc/90/55/62/1047905562.db2.gz HJFIINGNNCTGIW-SXLOBPIMSA-N 1 1 325.452 4.061 20 10 EICDMO CC[C@@H]([NH2+]Cc1nn(C)cc1Cl)c1ccc(C(F)(F)F)cc1O ZINC000824758169 1047943052 /nfs/dbraw/zinc/94/30/52/1047943052.db2.gz MHISAKRJLFJVDH-GFCCVEGCSA-N 1 1 347.768 4.039 20 10 EICDMO CO[C@H]1CC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C[C@@H]1C ZINC000824820428 1047954896 /nfs/dbraw/zinc/95/48/96/1047954896.db2.gz FSIJACZBIXBFSZ-JXFKEZNVSA-N 1 1 344.524 4.241 20 10 EICDMO CCOc1cccc(C[N@@H+](C)[C@H]2C[C@H](c3cccc(OC)c3)C2)c1O ZINC000825290021 1048062663 /nfs/dbraw/zinc/06/26/63/1048062663.db2.gz MPRWTDQQOIKIFN-IYARVYRRSA-N 1 1 341.451 4.178 20 10 EICDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)[nH]1 ZINC000808716322 1048062991 /nfs/dbraw/zinc/06/29/91/1048062991.db2.gz MMWRWDIHUPMYKO-MVWJERBFSA-N 1 1 336.867 4.397 20 10 EICDMO Cc1nnsc1C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000844315446 1048292281 /nfs/dbraw/zinc/29/22/81/1048292281.db2.gz ZQEYIMLFENEPMN-HNNXBMFYSA-N 1 1 339.464 4.316 20 10 EICDMO Cc1nnsc1C[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000844315446 1048292296 /nfs/dbraw/zinc/29/22/96/1048292296.db2.gz ZQEYIMLFENEPMN-HNNXBMFYSA-N 1 1 339.464 4.316 20 10 EICDMO C[N@@H+](CCc1ccc(F)cc1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000919948456 1048331282 /nfs/dbraw/zinc/33/12/82/1048331282.db2.gz KJTCNLSFTMCAHQ-UHFFFAOYSA-N 1 1 331.431 4.209 20 10 EICDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cc2c(cc1O)CCC2 ZINC000919950061 1048334191 /nfs/dbraw/zinc/33/41/91/1048334191.db2.gz FIPMIQDZTZUACA-UHFFFAOYSA-N 1 1 340.423 4.200 20 10 EICDMO Cc1cccc(C[N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c1O ZINC000809689474 1048477333 /nfs/dbraw/zinc/47/73/33/1048477333.db2.gz OYGIPLQSTAKGFL-UHFFFAOYSA-N 1 1 339.357 4.274 20 10 EICDMO CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@H]2c2nc(C)no2)cc1 ZINC000809721706 1048496429 /nfs/dbraw/zinc/49/64/29/1048496429.db2.gz YDPHNHGIDFKYHX-IBGZPJMESA-N 1 1 342.487 4.342 20 10 EICDMO CCCN(CCC)c1ccc(C[N@H+]2CCC[C@H]2c2nc(C)no2)cc1 ZINC000809721706 1048496442 /nfs/dbraw/zinc/49/64/42/1048496442.db2.gz YDPHNHGIDFKYHX-IBGZPJMESA-N 1 1 342.487 4.342 20 10 EICDMO CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1c([O-])cccc1Cl ZINC000809739607 1048509311 /nfs/dbraw/zinc/50/93/11/1048509311.db2.gz PPTPEMLDYDRVMR-UHFFFAOYSA-N 1 1 332.875 4.129 20 10 EICDMO CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1c([O-])cccc1Cl ZINC000809739607 1048509328 /nfs/dbraw/zinc/50/93/28/1048509328.db2.gz PPTPEMLDYDRVMR-UHFFFAOYSA-N 1 1 332.875 4.129 20 10 EICDMO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)c1cccc(C(F)(F)F)c1O ZINC000815576285 1048515900 /nfs/dbraw/zinc/51/59/00/1048515900.db2.gz NNSQXEHOCZWWJY-MEBBXXQBSA-N 1 1 337.341 4.455 20 10 EICDMO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000809757682 1048522785 /nfs/dbraw/zinc/52/27/85/1048522785.db2.gz QXGDSGWSZAHPBL-SFHVURJKSA-N 1 1 327.472 4.466 20 10 EICDMO CC[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)C1CCOCC1 ZINC000815585847 1048523464 /nfs/dbraw/zinc/52/34/64/1048523464.db2.gz UKFIWHQWTBLXOG-XHDPSFHLSA-N 1 1 331.378 4.267 20 10 EICDMO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(Br)cc(C)c1O ZINC000809766453 1048523410 /nfs/dbraw/zinc/52/34/10/1048523410.db2.gz XVWIGUOKNGYTKU-INIZCTEOSA-N 1 1 349.272 4.441 20 10 EICDMO Cc1cc(Br)cc(C[N@@H+](Cc2ccccn2)C2CC2)c1O ZINC000809763128 1048523992 /nfs/dbraw/zinc/52/39/92/1048523992.db2.gz KCOSYGDYULCCBW-UHFFFAOYSA-N 1 1 347.256 4.023 20 10 EICDMO CCOc1ccc(O)c(C[N@@H+]2CCCn3c(cc4ccccc43)C2)c1 ZINC000809782712 1048529746 /nfs/dbraw/zinc/52/97/46/1048529746.db2.gz FIOOJILKLNRUDZ-UHFFFAOYSA-N 1 1 336.435 4.152 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2CCCn3c(cc4ccccc43)C2)c1 ZINC000809782712 1048529758 /nfs/dbraw/zinc/52/97/58/1048529758.db2.gz FIOOJILKLNRUDZ-UHFFFAOYSA-N 1 1 336.435 4.152 20 10 EICDMO CCOc1ccc(C[N@@H+](C)[C@H](CC)c2cccc(OC)c2)c(O)c1 ZINC000809784292 1048532719 /nfs/dbraw/zinc/53/27/19/1048532719.db2.gz SRQQYDFOCDQITO-LJQANCHMSA-N 1 1 329.440 4.383 20 10 EICDMO CCOc1ccc(O)c(C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1 ZINC000809789847 1048533524 /nfs/dbraw/zinc/53/35/24/1048533524.db2.gz JTAOVGIOEFHEGP-OKILXGFUSA-N 1 1 331.378 4.344 20 10 EICDMO CCc1nc(CC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)cs1 ZINC000815573473 1048536950 /nfs/dbraw/zinc/53/69/50/1048536950.db2.gz LKJWKOZUFUAEGU-JTQLQIEISA-N 1 1 344.402 4.323 20 10 EICDMO C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1cccc(C(F)(F)F)c1O ZINC000815574724 1048537911 /nfs/dbraw/zinc/53/79/11/1048537911.db2.gz ARLVHBQTBVZEJL-ABAIWWIYSA-N 1 1 331.378 4.003 20 10 EICDMO CO[C@H](CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)C(F)(F)F ZINC000815619143 1048545463 /nfs/dbraw/zinc/54/54/63/1048545463.db2.gz DQEFZLCWIJPNPO-LDYMZIIASA-N 1 1 345.283 4.029 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccccc2N2CCCCC2)cc1 ZINC000920257377 1048607215 /nfs/dbraw/zinc/60/72/15/1048607215.db2.gz RIYFORUBADIXSR-UHFFFAOYSA-N 1 1 337.511 4.375 20 10 EICDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000920306070 1048638701 /nfs/dbraw/zinc/63/87/01/1048638701.db2.gz ROCZKYHIVQMONK-LBPRGKRZSA-N 1 1 345.826 4.500 20 10 EICDMO CC(C)(C)c1cc[nH+]c(NCc2cc(Br)ccc2O)c1 ZINC001171176500 1048645785 /nfs/dbraw/zinc/64/57/85/1048645785.db2.gz QCWCAKXBTICYMU-UHFFFAOYSA-N 1 1 335.245 4.459 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000810171074 1048653792 /nfs/dbraw/zinc/65/37/92/1048653792.db2.gz WIAMYOALROLISR-DYVFJYSZSA-N 1 1 335.806 4.195 20 10 EICDMO CCN(CC)c1ccc(C[NH2+][C@@H](c2ccccc2F)[C@@H](C)O)cc1F ZINC000846016925 1048784997 /nfs/dbraw/zinc/78/49/97/1048784997.db2.gz KMVMZJUJQBUYDP-JLTOFOAXSA-N 1 1 348.437 4.023 20 10 EICDMO CCC[N@@H+](Cc1conc1Cc1ccccc1)Cc1ccccc1O ZINC000816499165 1048820088 /nfs/dbraw/zinc/82/00/88/1048820088.db2.gz HLTUPMQEFLFLET-UHFFFAOYSA-N 1 1 336.435 4.383 20 10 EICDMO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816536297 1048825220 /nfs/dbraw/zinc/82/52/20/1048825220.db2.gz QXLWSANGVROYKV-SECBINFHSA-N 1 1 327.758 4.183 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000816538610 1048826530 /nfs/dbraw/zinc/82/65/30/1048826530.db2.gz YFAFLXIFMXWASU-AWEZNQCLSA-N 1 1 342.197 4.452 20 10 EICDMO CCOc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1F ZINC000816546466 1048828817 /nfs/dbraw/zinc/82/88/17/1048828817.db2.gz LCCLSRLYCZPXAK-UHFFFAOYSA-N 1 1 327.758 4.012 20 10 EICDMO CSCc1cc(F)ccc1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816528083 1048831321 /nfs/dbraw/zinc/83/13/21/1048831321.db2.gz LPCUHGYZKZHISY-UHFFFAOYSA-N 1 1 343.826 4.477 20 10 EICDMO CSCc1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816586346 1048832281 /nfs/dbraw/zinc/83/22/81/1048832281.db2.gz GBWKMZZOULUUGC-UHFFFAOYSA-N 1 1 325.836 4.338 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1COc2ccc(Cl)cc21 ZINC000816556618 1048833713 /nfs/dbraw/zinc/83/37/13/1048833713.db2.gz OTWHENLZCBCKTC-ZDUSSCGKSA-N 1 1 328.170 4.061 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1COc2c1cccc2Cl ZINC000816557531 1048834105 /nfs/dbraw/zinc/83/41/05/1048834105.db2.gz ULESCZPCKGSQMB-CYBMUJFWSA-N 1 1 328.170 4.061 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000816560664 1048835521 /nfs/dbraw/zinc/83/55/21/1048835521.db2.gz WWTRRULYWAWHGS-ACJLOTCBSA-N 1 1 335.806 4.052 20 10 EICDMO CN(C)CC[N@H+](Cc1cccs1)Cc1ccc2ccccc2c1O ZINC000816611031 1048843234 /nfs/dbraw/zinc/84/32/34/1048843234.db2.gz GJRFURGVTAWFJW-UHFFFAOYSA-N 1 1 340.492 4.171 20 10 EICDMO CN(C)CC[N@@H+](Cc1cccs1)Cc1ccc2ccccc2c1O ZINC000816611031 1048843237 /nfs/dbraw/zinc/84/32/37/1048843237.db2.gz GJRFURGVTAWFJW-UHFFFAOYSA-N 1 1 340.492 4.171 20 10 EICDMO Cc1c(Cl)c(C[N@H+](Cc2ccccc2O)C2CCCC2)nn1C ZINC000817406231 1048959999 /nfs/dbraw/zinc/95/99/99/1048959999.db2.gz KMMKCGRMEHUFCP-UHFFFAOYSA-N 1 1 333.863 4.032 20 10 EICDMO Cc1c(Cl)c(C[N@@H+](Cc2ccccc2O)C2CCCC2)nn1C ZINC000817406231 1048960017 /nfs/dbraw/zinc/96/00/17/1048960017.db2.gz KMMKCGRMEHUFCP-UHFFFAOYSA-N 1 1 333.863 4.032 20 10 EICDMO C[C@@H](NC[C@H]([NH3+])c1ccccc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817955400 1049066329 /nfs/dbraw/zinc/06/63/29/1049066329.db2.gz XPGUEBPHUVNLTB-UZLBHIALSA-N 1 1 341.474 4.167 20 10 EICDMO C[C@@H]([NH2+]C[C@@H](N)c1ccccc1)c1cc(Cl)c(Cl)cc1O ZINC000817955293 1049067429 /nfs/dbraw/zinc/06/74/29/1049067429.db2.gz VFQUMOUXQVFUJW-MEBBXXQBSA-N 1 1 325.239 4.050 20 10 EICDMO C[C@@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817985275 1049079456 /nfs/dbraw/zinc/07/94/56/1049079456.db2.gz IURIMUAOTWEWTC-AEFFLSMTSA-N 1 1 345.506 4.141 20 10 EICDMO Cc1cc(O)c(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1C ZINC000818288191 1049124774 /nfs/dbraw/zinc/12/47/74/1049124774.db2.gz ZIVATGLBFGTUDX-KRWDZBQOSA-N 1 1 331.481 4.252 20 10 EICDMO Oc1ccccc1C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000179585514 1049680141 /nfs/dbraw/zinc/68/01/41/1049680141.db2.gz MYSXWHWBFAHBPF-WMZOPIPTSA-N 1 1 331.481 4.322 20 10 EICDMO CN(Cc1ccc(N2CCCC2)cc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171635969 1049777841 /nfs/dbraw/zinc/77/78/41/1049777841.db2.gz AXZDAQNHLHYPTP-UHFFFAOYSA-N 1 1 343.559 4.370 20 10 EICDMO C[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)c1ccc(F)cc1O ZINC000324803629 1049778866 /nfs/dbraw/zinc/77/88/66/1049778866.db2.gz QCUNWLBALQFPRC-DNVCBOLYSA-N 1 1 328.431 4.019 20 10 EICDMO COc1ccc(O)c(C[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000180045377 1049830637 /nfs/dbraw/zinc/83/06/37/1049830637.db2.gz PZHBZRYSLUMOJN-UHFFFAOYSA-N 1 1 334.419 4.171 20 10 EICDMO C[C@H]([NH2+][C@@H](C)[C@@H]1OCCc2sccc21)c1cc(F)cc(F)c1O ZINC000813885810 1049831779 /nfs/dbraw/zinc/83/17/79/1049831779.db2.gz XTJVBCOFIMTQMD-YMNVWFMLSA-N 1 1 339.407 4.085 20 10 EICDMO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)s1 ZINC000772875134 1049870682 /nfs/dbraw/zinc/87/06/82/1049870682.db2.gz KHXRFVYOOLIMEK-UONOGXRCSA-N 1 1 345.512 4.008 20 10 EICDMO Cc1cccc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c1O ZINC000180649651 1049922040 /nfs/dbraw/zinc/92/20/40/1049922040.db2.gz YGTYMCWBAGUXAK-IBGZPJMESA-N 1 1 337.419 4.029 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]2C[C@@H]2C2CCCC2)c1 ZINC001204090882 1049953087 /nfs/dbraw/zinc/95/30/87/1049953087.db2.gz YUYVRDNWJBRJGO-DZGCQCFKSA-N 1 1 338.289 4.379 20 10 EICDMO COc1ccc(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)c(O)c1 ZINC001203629202 1050181190 /nfs/dbraw/zinc/18/11/90/1050181190.db2.gz SVCSMSXFQQHUAK-UHFFFAOYSA-N 1 1 325.330 4.052 20 10 EICDMO C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001172862348 1050198477 /nfs/dbraw/zinc/19/84/77/1050198477.db2.gz QMQCUWMKLLMGBB-GFCCVEGCSA-N 1 1 349.833 4.270 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000773755650 1050513582 /nfs/dbraw/zinc/51/35/82/1050513582.db2.gz UYGVUJGOFWMUTB-OAQYLSRUSA-N 1 1 338.495 4.181 20 10 EICDMO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000773765490 1050535055 /nfs/dbraw/zinc/53/50/55/1050535055.db2.gz LOSXWIHBHVJKCX-DNVCBOLYSA-N 1 1 330.497 4.166 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000773765490 1050535070 /nfs/dbraw/zinc/53/50/70/1050535070.db2.gz LOSXWIHBHVJKCX-DNVCBOLYSA-N 1 1 330.497 4.166 20 10 EICDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ncc(-c3ccc(F)cc3)o2)c1 ZINC000182342770 1050617451 /nfs/dbraw/zinc/61/74/51/1050617451.db2.gz OUYDQMJNZXTRCS-GFCCVEGCSA-N 1 1 342.370 4.046 20 10 EICDMO CCN(C)c1ccc(C[N@H+](C)Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000773799911 1050627229 /nfs/dbraw/zinc/62/72/29/1050627229.db2.gz RGJHHYUVMCLRRS-UHFFFAOYSA-N 1 1 334.467 4.165 20 10 EICDMO CCN(C)c1ccc(C[N@@H+](C)Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000773799911 1050627235 /nfs/dbraw/zinc/62/72/35/1050627235.db2.gz RGJHHYUVMCLRRS-UHFFFAOYSA-N 1 1 334.467 4.165 20 10 EICDMO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000182465939 1050687140 /nfs/dbraw/zinc/68/71/40/1050687140.db2.gz LVCCCZSBSLCPCK-ZIAGYGMSSA-N 1 1 338.407 4.468 20 10 EICDMO COc1cc(C)cc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)c1O ZINC001179878249 1050815403 /nfs/dbraw/zinc/81/54/03/1050815403.db2.gz NQAMFEXPNHZZAE-APWZRJJASA-N 1 1 325.452 4.335 20 10 EICDMO O=C(C[C@@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1O)c1ccc(F)cc1 ZINC001179925146 1050820108 /nfs/dbraw/zinc/82/01/08/1050820108.db2.gz NKIWSXDCFJLLLL-INIZCTEOSA-N 1 1 349.352 4.047 20 10 EICDMO O=C(C[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1O)c1ccc(F)cc1 ZINC001179925146 1050820115 /nfs/dbraw/zinc/82/01/15/1050820115.db2.gz NKIWSXDCFJLLLL-INIZCTEOSA-N 1 1 349.352 4.047 20 10 EICDMO COc1cc(C)c(C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)c(O)c1 ZINC001180133348 1050884333 /nfs/dbraw/zinc/88/43/33/1050884333.db2.gz UVEZCLPALLBRMM-OAQYLSRUSA-N 1 1 325.452 4.263 20 10 EICDMO CN(C)c1ccc(/C=C\C[N@H+](Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC001180174954 1050895851 /nfs/dbraw/zinc/89/58/51/1050895851.db2.gz PQHVDBIKRPUPSA-IXWARAEBSA-N 1 1 340.467 4.040 20 10 EICDMO COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001180189184 1050908561 /nfs/dbraw/zinc/90/85/61/1050908561.db2.gz OCXZNZZDMNBAPX-QGZVFWFLSA-N 1 1 333.378 4.406 20 10 EICDMO COc1ccccc1[C@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001180189184 1050908569 /nfs/dbraw/zinc/90/85/69/1050908569.db2.gz OCXZNZZDMNBAPX-QGZVFWFLSA-N 1 1 333.378 4.406 20 10 EICDMO C[N@H+](Cc1cc(Br)cc(F)c1[O-])C[C@@H]1CC=CCC1 ZINC001180310322 1050947791 /nfs/dbraw/zinc/94/77/91/1050947791.db2.gz DDOZCUPLNLFLGO-LLVKDONJSA-N 1 1 328.225 4.082 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001180348887 1050961971 /nfs/dbraw/zinc/96/19/71/1050961971.db2.gz FJGHHOBGFROLPT-CRAIPNDOSA-N 1 1 344.886 4.046 20 10 EICDMO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1cc(F)c(F)cc1O ZINC001180349504 1050964106 /nfs/dbraw/zinc/96/41/06/1050964106.db2.gz MMLDENMLXBWJLN-BTDLBPIBSA-N 1 1 341.785 4.190 20 10 EICDMO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)Cc1cc(F)cc(F)c1O ZINC001180392711 1050977577 /nfs/dbraw/zinc/97/75/77/1050977577.db2.gz GOBATYHYCYNWTO-UHFFFAOYSA-N 1 1 347.283 4.201 20 10 EICDMO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)Cc1cc(F)cc(F)c1O ZINC001180392711 1050977595 /nfs/dbraw/zinc/97/75/95/1050977595.db2.gz GOBATYHYCYNWTO-UHFFFAOYSA-N 1 1 347.283 4.201 20 10 EICDMO Cc1ccc([C@H](C)C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC001180429505 1050985877 /nfs/dbraw/zinc/98/58/77/1050985877.db2.gz BOGQKDNCHNBDFC-WIYYLYMNSA-N 1 1 339.479 4.485 20 10 EICDMO COc1ccccc1C[N@@H+](C/C=C/c1ccc(N(C)C)cc1)C1CC1 ZINC001180558790 1051033563 /nfs/dbraw/zinc/03/35/63/1051033563.db2.gz UPPXOAMOCXSRGW-VOTSOKGWSA-N 1 1 336.479 4.439 20 10 EICDMO COc1ccc(F)c(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC001180558072 1051033742 /nfs/dbraw/zinc/03/37/42/1051033742.db2.gz JDJXXTZQJHSLJV-UHFFFAOYSA-N 1 1 328.431 4.065 20 10 EICDMO COc1cc(C)cc(C[N@H+]2CCC[C@]2(C)Cc2ccccc2)c1O ZINC001180593034 1051047915 /nfs/dbraw/zinc/04/79/15/1051047915.db2.gz JAOJTLSNXRPRQZ-OAQYLSRUSA-N 1 1 325.452 4.306 20 10 EICDMO CC(C)Oc1ccnc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC001190436254 1051185357 /nfs/dbraw/zinc/18/53/57/1051185357.db2.gz CBNDNNIFFWVHTJ-UHFFFAOYSA-N 1 1 341.499 4.345 20 10 EICDMO COC1CCN(c2ccc(C[N@H+]3[C@H](C)C[C@@H]4CCCC[C@H]43)cc2)CC1 ZINC001191078068 1051345626 /nfs/dbraw/zinc/34/56/26/1051345626.db2.gz PTCLBLLLOSTNMI-ZWCUEREDSA-N 1 1 342.527 4.455 20 10 EICDMO C[C@H]([NH2+]Cc1ccccc1CO)c1cc(Cl)c(Cl)cc1O ZINC000774139512 1051460961 /nfs/dbraw/zinc/46/09/61/1051460961.db2.gz MOHYIWTWGJVHKE-JTQLQIEISA-N 1 1 326.223 4.042 20 10 EICDMO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)cc1 ZINC000774134930 1051477790 /nfs/dbraw/zinc/47/77/90/1051477790.db2.gz NTVDPVLUCVZOBV-APPDUMDISA-N 1 1 340.250 4.392 20 10 EICDMO C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1cc(Cl)c(Cl)cc1O ZINC000774186784 1051507296 /nfs/dbraw/zinc/50/72/96/1051507296.db2.gz CWFIJZMSLJQYHX-GTNSWQLSSA-N 1 1 340.250 4.257 20 10 EICDMO Cc1ncc(CC[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)s1 ZINC000774267914 1051536455 /nfs/dbraw/zinc/53/64/55/1051536455.db2.gz YHALPEOOQMNIHG-MRVPVSSYSA-N 1 1 331.268 4.357 20 10 EICDMO Oc1cc(Br)ccc1C[NH2+][C@H](CF)c1ccc(F)cc1 ZINC001183427936 1051842057 /nfs/dbraw/zinc/84/20/57/1051842057.db2.gz DJSFORAPEXROJV-CQSZACIVSA-N 1 1 342.183 4.094 20 10 EICDMO Cc1csc(C[C@H]2CC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)n1 ZINC001183972179 1051934651 /nfs/dbraw/zinc/93/46/51/1051934651.db2.gz NWFZDHDOLVIWPN-LLVKDONJSA-N 1 1 340.851 4.014 20 10 EICDMO Cc1csc(C[C@H]2CC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)n1 ZINC001183972179 1051934659 /nfs/dbraw/zinc/93/46/59/1051934659.db2.gz NWFZDHDOLVIWPN-LLVKDONJSA-N 1 1 340.851 4.014 20 10 EICDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC001184239616 1051977254 /nfs/dbraw/zinc/97/72/54/1051977254.db2.gz ORLDYSKNTQESAF-UHFFFAOYSA-N 1 1 334.467 4.083 20 10 EICDMO CCCC[N@@H+](CCOc1ccccc1OC)Cc1ccccc1O ZINC001193837912 1051997320 /nfs/dbraw/zinc/99/73/20/1051997320.db2.gz AWWAMTPHTFWSNG-UHFFFAOYSA-N 1 1 329.440 4.082 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)cc1 ZINC001176532865 1052114775 /nfs/dbraw/zinc/11/47/75/1052114775.db2.gz NPBBFYMPWUTBNM-JBYIUTFZSA-N 1 1 338.495 4.493 20 10 EICDMO COc1c(O)c(C[N@H+](C)[C@@H](C)c2ccc(C)cc2C)ccc1[N+](=O)[O-] ZINC000774834239 1052175685 /nfs/dbraw/zinc/17/56/85/1052175685.db2.gz DYEKGGZSRSOCSF-AWEZNQCLSA-N 1 1 344.411 4.119 20 10 EICDMO COc1c(O)c(C[N@@H+](C)[C@@H](C)c2ccc(C)cc2C)ccc1[N+](=O)[O-] ZINC000774834239 1052175693 /nfs/dbraw/zinc/17/56/93/1052175693.db2.gz DYEKGGZSRSOCSF-AWEZNQCLSA-N 1 1 344.411 4.119 20 10 EICDMO CC[C@H](c1ccccc1)[N@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774838152 1052189338 /nfs/dbraw/zinc/18/93/38/1052189338.db2.gz BFFZPZIBIXJTQY-MRXNPFEDSA-N 1 1 344.411 4.282 20 10 EICDMO CC[C@H](c1ccccc1)[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774838152 1052189344 /nfs/dbraw/zinc/18/93/44/1052189344.db2.gz BFFZPZIBIXJTQY-MRXNPFEDSA-N 1 1 344.411 4.282 20 10 EICDMO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccc2c(c1)OCCO2 ZINC000184896351 1052297221 /nfs/dbraw/zinc/29/72/21/1052297221.db2.gz GPQRLCBKMNZICI-RBZFPXEDSA-N 1 1 345.414 4.350 20 10 EICDMO C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc2ccccc2c1[O-] ZINC000184936969 1052319457 /nfs/dbraw/zinc/31/94/57/1052319457.db2.gz JTPHRLAXKZVAHH-MRXNPFEDSA-N 1 1 334.463 4.458 20 10 EICDMO C[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1ccc(F)cc1O ZINC000185318456 1052580236 /nfs/dbraw/zinc/58/02/36/1052580236.db2.gz WGTWPTCMKCFWEI-GFCCVEGCSA-N 1 1 334.460 4.150 20 10 EICDMO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cc2c(cc1O)CCCC2 ZINC000185941612 1052829305 /nfs/dbraw/zinc/82/93/05/1052829305.db2.gz HZQXGSZXMRPVRP-OAHLLOKOSA-N 1 1 330.516 4.185 20 10 EICDMO Cc1cc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)ccc1N1CCCCC1 ZINC001194862764 1053129321 /nfs/dbraw/zinc/12/93/21/1053129321.db2.gz DYUZZHVSFNAZIM-NHCUHLMSSA-N 1 1 342.527 4.375 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)COc1c(F)cccc1F)c1cc(F)cc(F)c1O ZINC000850522443 1053281528 /nfs/dbraw/zinc/28/15/28/1053281528.db2.gz DTDNJNKZBRUJER-VHSXEESVSA-N 1 1 343.320 4.067 20 10 EICDMO C[C@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1cccc(C(F)(F)F)c1O ZINC000850542202 1053305054 /nfs/dbraw/zinc/30/50/54/1053305054.db2.gz JDJANUHXAWGTPL-MGPLVRAMSA-N 1 1 337.341 4.455 20 10 EICDMO COc1ccc(C[N@@H+](Cc2cc(OC)ccc2O)[C@@H](C)C2CC2)cc1 ZINC000775644356 1053311765 /nfs/dbraw/zinc/31/17/65/1053311765.db2.gz IWNNZOATIFCOQE-HNNXBMFYSA-N 1 1 341.451 4.210 20 10 EICDMO CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1ccc(C)cc1O ZINC000794807895 1053417428 /nfs/dbraw/zinc/41/74/28/1053417428.db2.gz MVRBPZLJHXTZCW-HXUWFJFHSA-N 1 1 326.484 4.393 20 10 EICDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775659353 1053417964 /nfs/dbraw/zinc/41/79/64/1053417964.db2.gz WCJOMQDYHRRKPV-ZENOOKHLSA-N 1 1 340.870 4.022 20 10 EICDMO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000775659353 1053417975 /nfs/dbraw/zinc/41/79/75/1053417975.db2.gz WCJOMQDYHRRKPV-ZENOOKHLSA-N 1 1 340.870 4.022 20 10 EICDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000775659353 1053417985 /nfs/dbraw/zinc/41/79/85/1053417985.db2.gz WCJOMQDYHRRKPV-ZENOOKHLSA-N 1 1 340.870 4.022 20 10 EICDMO C[N@H+](Cc1ccccc1O)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000109771335 1053421995 /nfs/dbraw/zinc/42/19/95/1053421995.db2.gz LWOYRFRQVAZEDH-OAQYLSRUSA-N 1 1 346.430 4.204 20 10 EICDMO C[N@@H+](Cc1ccccc1O)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000109771335 1053422004 /nfs/dbraw/zinc/42/20/04/1053422004.db2.gz LWOYRFRQVAZEDH-OAQYLSRUSA-N 1 1 346.430 4.204 20 10 EICDMO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c(O)c1C ZINC000794829134 1053440413 /nfs/dbraw/zinc/44/04/13/1053440413.db2.gz STQUVLSVKQMRIY-QUCCMNQESA-N 1 1 338.495 4.182 20 10 EICDMO Cc1cccc(C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1O ZINC000775667487 1053458341 /nfs/dbraw/zinc/45/83/41/1053458341.db2.gz JETCMEMDOFYQQK-TZIWHRDSSA-N 1 1 325.452 4.300 20 10 EICDMO COc1ccc(N(C)CC[N@@H+](C)Cc2ccccc2OC(C)C)cc1 ZINC001195789971 1053487258 /nfs/dbraw/zinc/48/72/58/1053487258.db2.gz ORFSGBIRIQOZSD-UHFFFAOYSA-N 1 1 342.483 4.051 20 10 EICDMO COc1cc(C[N@@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)on1 ZINC000851880403 1053528133 /nfs/dbraw/zinc/52/81/33/1053528133.db2.gz XXMBDTNYXQJHGB-HNNXBMFYSA-N 1 1 338.407 4.152 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCCCC[C@H]2c2ccc(C)o2)cc1OC ZINC000775714438 1053657469 /nfs/dbraw/zinc/65/74/69/1053657469.db2.gz OVLVYCGYWZIGQE-INIZCTEOSA-N 1 1 345.439 4.428 20 10 EICDMO CC[C@@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(F)cc1O ZINC000866485187 1053748982 /nfs/dbraw/zinc/74/89/82/1053748982.db2.gz GSBBIWPLDUZSBS-QMTHXVAHSA-N 1 1 330.359 4.180 20 10 EICDMO CC[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(F)cc1O ZINC000866485185 1053750831 /nfs/dbraw/zinc/75/08/31/1053750831.db2.gz GSBBIWPLDUZSBS-IINYFYTJSA-N 1 1 330.359 4.180 20 10 EICDMO C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1cc(F)cc(F)c1O ZINC000866541683 1053774817 /nfs/dbraw/zinc/77/48/17/1053774817.db2.gz QXNDJFADJCYEPH-QMMMGPOBSA-N 1 1 347.283 4.262 20 10 EICDMO CCN(C)c1ccc([C@H](C)[NH2+]Cc2nc(C)c3ccccc3n2)cc1 ZINC000765633866 1053823427 /nfs/dbraw/zinc/82/34/27/1053823427.db2.gz LLCSBUKCBXGUMU-HNNXBMFYSA-N 1 1 334.467 4.245 20 10 EICDMO C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1cc(F)ccc1[O-] ZINC000186165211 1054048205 /nfs/dbraw/zinc/04/82/05/1054048205.db2.gz XOTCZYJDSMAUHC-FAEJEUNOSA-N 1 1 334.479 4.225 20 10 EICDMO CCCC[NH+]1CCC(NCc2ccc(N3CCCCC3)cc2)CC1 ZINC000122962860 1054065584 /nfs/dbraw/zinc/06/55/84/1054065584.db2.gz GREOQJNUXYUYHZ-UHFFFAOYSA-N 1 1 329.532 4.031 20 10 EICDMO CC(C)[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)N1CCCCCC1 ZINC001199160652 1054354901 /nfs/dbraw/zinc/35/49/01/1054354901.db2.gz DKZZROBZAZWGBD-FQEVSTJZSA-N 1 1 330.516 4.002 20 10 EICDMO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1)c1ccc(F)cc1O ZINC000872116421 1054396252 /nfs/dbraw/zinc/39/62/52/1054396252.db2.gz LQJKOSJUPLXTBE-MRVPVSSYSA-N 1 1 348.727 4.449 20 10 EICDMO C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)c1ccc(C(F)(F)F)nc1 ZINC000872130349 1054405744 /nfs/dbraw/zinc/40/57/44/1054405744.db2.gz LJEXLGGXGBEMEH-RKDXNWHRSA-N 1 1 346.299 4.496 20 10 EICDMO Cc1cc(C[N@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)nn1C ZINC000776004259 1054434838 /nfs/dbraw/zinc/43/48/38/1054434838.db2.gz LZOXLXATAVYZDQ-KRWDZBQOSA-N 1 1 335.451 4.198 20 10 EICDMO Cc1cc(C[N@@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)nn1C ZINC000776004259 1054434844 /nfs/dbraw/zinc/43/48/44/1054434844.db2.gz LZOXLXATAVYZDQ-KRWDZBQOSA-N 1 1 335.451 4.198 20 10 EICDMO CC[N@@H+](Cc1c[nH]c2c1cccc2F)Cc1ccc(N(C)C)cc1 ZINC001137059369 1054442446 /nfs/dbraw/zinc/44/24/46/1054442446.db2.gz YMYGLLPXVQWQBQ-UHFFFAOYSA-N 1 1 325.431 4.395 20 10 EICDMO C[C@@H](c1ccccc1)[N@@H+](CCOCC1CC1)Cc1ccccc1O ZINC000776008525 1054443100 /nfs/dbraw/zinc/44/31/00/1054443100.db2.gz HIOQKKXUNSUGJN-KRWDZBQOSA-N 1 1 325.452 4.382 20 10 EICDMO Cc1cc(C[NH2+][C@@H](C)c2cc3n(n2)CCC3)c(C)n1-c1cccc(C)c1 ZINC000858541516 1054512643 /nfs/dbraw/zinc/51/26/43/1054512643.db2.gz AXGKTQCWOGAECK-KRWDZBQOSA-N 1 1 348.494 4.396 20 10 EICDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3ccc(Cl)cc32)c1 ZINC000858582242 1054527846 /nfs/dbraw/zinc/52/78/46/1054527846.db2.gz OKUXPCQYZLTVCD-PIGZYNQJSA-N 1 1 345.826 4.170 20 10 EICDMO Cn1c[nH+]c2cc(NCc3ccc(OC(F)F)c(Cl)c3)ccc21 ZINC001201114630 1054666772 /nfs/dbraw/zinc/66/67/72/1054666772.db2.gz JQWSVRWKNPQDQY-UHFFFAOYSA-N 1 1 337.757 4.440 20 10 EICDMO COc1ccc(N(CCCn2cc[nH+]c2C)Cc2ccco2)cc1F ZINC000125247722 1054756411 /nfs/dbraw/zinc/75/64/11/1054756411.db2.gz HDYKTCKAAWMSHO-UHFFFAOYSA-N 1 1 343.402 4.029 20 10 EICDMO CC(C)[N@@H+](Cc1cccs1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876583027 1054932750 /nfs/dbraw/zinc/93/27/50/1054932750.db2.gz FDMNCYSRXZMVQP-UHFFFAOYSA-N 1 1 344.524 4.120 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H](C)c2ccccc2)c1 ZINC001201930086 1054942859 /nfs/dbraw/zinc/94/28/59/1054942859.db2.gz UUYCNPQENDGENC-ZDUSSCGKSA-N 1 1 334.257 4.356 20 10 EICDMO COc1cc(C[N@H+]2CCC[C@H]2c2ccncc2)c(O)c(C(C)(C)C)c1 ZINC000825903435 1054957926 /nfs/dbraw/zinc/95/79/26/1054957926.db2.gz HHJKUTQFUDIDKT-IBGZPJMESA-N 1 1 340.467 4.430 20 10 EICDMO Oc1cc(OCc2ccccc2)ccc1Cn1c[nH+]c2c1CCCC2 ZINC000862430880 1055065542 /nfs/dbraw/zinc/06/55/42/1055065542.db2.gz DPQSWRQRSFOTFN-UHFFFAOYSA-N 1 1 334.419 4.095 20 10 EICDMO C[C@@H](N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765875243 1056040188 /nfs/dbraw/zinc/04/01/88/1056040188.db2.gz YRDKJZGUSKONEY-NQIIRXRSSA-N 1 1 341.543 4.202 20 10 EICDMO C[C@@H](N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765875243 1056040193 /nfs/dbraw/zinc/04/01/93/1056040193.db2.gz YRDKJZGUSKONEY-NQIIRXRSSA-N 1 1 341.543 4.202 20 10 EICDMO CC[N@@H+](Cc1ccccc1O)[C@@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168664431 1056509532 /nfs/dbraw/zinc/50/95/32/1056509532.db2.gz GTBUIIRVUKFWMR-NQIIRXRSSA-N 1 1 341.451 4.143 20 10 EICDMO COc1ccc2ccc(O)c(C[N@H+]3CCOC4(CCCCC4)C3)c2c1 ZINC000742166393 1058526324 /nfs/dbraw/zinc/52/63/24/1058526324.db2.gz UZQKQYFUKWMBHE-UHFFFAOYSA-N 1 1 341.451 4.089 20 10 EICDMO COc1ccc2ccc(O)c(C[N@H+]3CCOC[C@H]3c3ccccc3)c2c1 ZINC000743401509 1058980334 /nfs/dbraw/zinc/98/03/34/1058980334.db2.gz BHWSUXZCGAMVAK-NRFANRHFSA-N 1 1 349.430 4.128 20 10 EICDMO Cc1ccc([C@@H](O)C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000743839571 1059140955 /nfs/dbraw/zinc/14/09/55/1059140955.db2.gz LXQCKKYCKMSGPY-QFIPXVFZSA-N 1 1 338.495 4.151 20 10 EICDMO CCC[N@@H+](CCOc1ccc(SC)cc1)Cc1ccccc1O ZINC000743870698 1059188060 /nfs/dbraw/zinc/18/80/60/1059188060.db2.gz ZXUDKQCNZOOUIP-UHFFFAOYSA-N 1 1 331.481 4.405 20 10 EICDMO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000744445038 1059512584 /nfs/dbraw/zinc/51/25/84/1059512584.db2.gz SISKXPILLOWNAO-IUODEOHRSA-N 1 1 345.405 4.150 20 10 EICDMO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000744445038 1059512616 /nfs/dbraw/zinc/51/26/16/1059512616.db2.gz SISKXPILLOWNAO-IUODEOHRSA-N 1 1 345.405 4.150 20 10 EICDMO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1nc(C(F)(F)F)cs1 ZINC000744448970 1059524923 /nfs/dbraw/zinc/52/49/23/1059524923.db2.gz PJJBPKKRMOVBQS-ZDUSSCGKSA-N 1 1 343.418 4.469 20 10 EICDMO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@H](C)N(C)Cc2ccccc2)c1 ZINC000379616838 1059609076 /nfs/dbraw/zinc/60/90/76/1059609076.db2.gz CZNJSIYIEVTEOP-ROUUACIJSA-N 1 1 326.484 4.262 20 10 EICDMO C[C@@H]([NH2+]CC[C@@H](C)N(C)Cc1ccccc1)c1cc(F)ccc1O ZINC000379643761 1059708644 /nfs/dbraw/zinc/70/86/44/1059708644.db2.gz GBOBYXFWNHERPV-HZPDHXFCSA-N 1 1 330.447 4.093 20 10 EICDMO Oc1c(Br)cccc1C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053149650 214165627 /nfs/dbraw/zinc/16/56/27/214165627.db2.gz QIWUFVVVLTYWQK-UHFFFAOYSA-N 1 1 344.611 4.237 20 10 EICDMO C[C@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1ccc(Cl)cc1O ZINC000841757671 1032515631 /nfs/dbraw/zinc/51/56/31/1032515631.db2.gz OQXHFTYXMUYHJM-WCQYABFASA-N 1 1 340.250 4.126 20 10 EICDMO Cc1cc(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)ccc1N(C)C ZINC001167122919 1020262126 /nfs/dbraw/zinc/26/21/26/1020262126.db2.gz MRJVNOIYCGNXBI-FQEVSTJZSA-N 1 1 326.459 4.407 20 10 EICDMO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc(OC)c(C)cc1O)CCC2 ZINC000160425480 1021766216 /nfs/dbraw/zinc/76/62/16/1021766216.db2.gz RUZKBXCTFYOJCX-OAHLLOKOSA-N 1 1 346.496 4.238 20 10 EICDMO COc1ccc(O)c(C[N@@H+](Cc2cccc(C)c2)Cc2ccccn2)c1 ZINC000180053351 1022423783 /nfs/dbraw/zinc/42/37/83/1022423783.db2.gz LZZPLWXDFWJAMY-UHFFFAOYSA-N 1 1 348.446 4.307 20 10 EICDMO Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)c(O)c1 ZINC000311001915 1022810973 /nfs/dbraw/zinc/81/09/73/1022810973.db2.gz JTMUDQQFUFLIHG-AVRDEDQJSA-N 1 1 338.495 4.263 20 10 EICDMO C[C@H]([NH2+]C[C@@H](O)c1ccc2ccccc2c1)c1ccc(F)cc1O ZINC000185406698 1023041931 /nfs/dbraw/zinc/04/19/31/1023041931.db2.gz VJLIGHQFSDLCSF-RNODOKPDSA-N 1 1 325.383 4.069 20 10 EICDMO CC(C)([NH2+]Cc1cccc(Br)c1O)c1ccc(F)cc1 ZINC000103173193 1023107583 /nfs/dbraw/zinc/10/75/83/1023107583.db2.gz NDIUPBOWBXJABX-UHFFFAOYSA-N 1 1 338.220 4.319 20 10 EICDMO Oc1cccc(Br)c1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000707142126 1023492352 /nfs/dbraw/zinc/49/23/52/1023492352.db2.gz FZFLUCPSELXHRF-INIZCTEOSA-N 1 1 332.241 4.492 20 10 EICDMO Oc1ccc2oc3c(c2c1C[N@@H+](C[C@H]1CCOC1)C1CC1)CCCC3 ZINC000123812133 1023666346 /nfs/dbraw/zinc/66/63/46/1023666346.db2.gz RLTLESXNOFRSDG-CQSZACIVSA-N 1 1 341.451 4.018 20 10 EICDMO C[N@H+](Cc1c([O-])ccc2ccccc21)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377692480 1023691795 /nfs/dbraw/zinc/69/17/95/1023691795.db2.gz ITKSTEJZTJFGMO-UHFFFAOYSA-N 1 1 347.462 4.041 20 10 EICDMO C[N@@H+](Cc1c([O-])ccc2ccccc21)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377692480 1023691805 /nfs/dbraw/zinc/69/18/05/1023691805.db2.gz ITKSTEJZTJFGMO-UHFFFAOYSA-N 1 1 347.462 4.041 20 10 EICDMO Fc1cc(C[N@H+]2CCC[C@H]2c2cccs2)ccc1N1CCOCC1 ZINC000162698233 1023705395 /nfs/dbraw/zinc/70/53/95/1023705395.db2.gz SVEBZLKVMDMVOV-SFHVURJKSA-N 1 1 346.471 4.061 20 10 EICDMO C[C@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)c1ccc(F)cc1O ZINC000377739881 1023733293 /nfs/dbraw/zinc/73/32/93/1023733293.db2.gz BZXPQDOBQXRFNZ-XOBRGWDASA-N 1 1 341.426 4.276 20 10 EICDMO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)cc1C(C)C ZINC000162712109 1023742452 /nfs/dbraw/zinc/74/24/52/1023742452.db2.gz ZNTSNKBYAKHDOE-GOSISDBHSA-N 1 1 327.472 4.067 20 10 EICDMO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3cccc(C)c3O)n2)cc1 ZINC000276774499 1024122878 /nfs/dbraw/zinc/12/28/78/1024122878.db2.gz PJMQUGXTVBATAC-AWEZNQCLSA-N 1 1 337.423 4.164 20 10 EICDMO CCC[N@@H+](Cc1cnc(CC(F)(F)F)s1)Cc1ccccc1O ZINC000891853924 1024363477 /nfs/dbraw/zinc/36/34/77/1024363477.db2.gz UGEXLPGMOSIHTL-UHFFFAOYSA-N 1 1 344.402 4.366 20 10 EICDMO CC[N@@H+](Cc1cc(OC)cc(C(F)(F)F)c1)Cc1ccccc1O ZINC001143519844 1024718602 /nfs/dbraw/zinc/71/86/02/1024718602.db2.gz VBWZSXWVCXWKKQ-UHFFFAOYSA-N 1 1 339.357 4.442 20 10 EICDMO Cc1ccc(O)c(C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)c1 ZINC000277128331 1025079356 /nfs/dbraw/zinc/07/93/56/1025079356.db2.gz YKNVYSPCEUUYQT-UHFFFAOYSA-N 1 1 329.415 4.021 20 10 EICDMO CC[C@@H]([NH2+][C@H](C)c1nnc([C@@H](C)CC)[nH]1)c1ccc(N(C)C)cc1 ZINC000277358379 1025800934 /nfs/dbraw/zinc/80/09/34/1025800934.db2.gz WFKGMQPGKQODRC-JJRVBVJISA-N 1 1 329.492 4.186 20 10 EICDMO C[C@@]1(C[NH2+]Cc2cccc(Cl)c2[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000310188942 1025847727 /nfs/dbraw/zinc/84/77/27/1025847727.db2.gz PPDUJNQGZPUWLB-FQEVSTJZSA-N 1 1 344.886 4.047 20 10 EICDMO CCc1cnc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)s1 ZINC000280773299 1025882620 /nfs/dbraw/zinc/88/26/20/1025882620.db2.gz FGFWBEVNDTWKMQ-UHFFFAOYSA-N 1 1 343.418 4.080 20 10 EICDMO C[N@H+](Cc1ccccc1O)Cc1c(F)cc(Br)cc1F ZINC001141561847 1026111512 /nfs/dbraw/zinc/11/15/12/1026111512.db2.gz YSNNXFSZVPCMJY-UHFFFAOYSA-N 1 1 342.183 4.065 20 10 EICDMO C[N@@H+](Cc1ccccc1O)Cc1c(F)cc(Br)cc1F ZINC001141561847 1026111523 /nfs/dbraw/zinc/11/15/23/1026111523.db2.gz YSNNXFSZVPCMJY-UHFFFAOYSA-N 1 1 342.183 4.065 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1cccc(F)c1Cl)C[C@H]1CCCO1 ZINC001167982936 1026419801 /nfs/dbraw/zinc/41/98/01/1026419801.db2.gz HMMDTUURTUUZDJ-MRXNPFEDSA-N 1 1 349.833 4.366 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1cccc(F)c1Cl)C[C@H]1CCCO1 ZINC001167982936 1026419812 /nfs/dbraw/zinc/41/98/12/1026419812.db2.gz HMMDTUURTUUZDJ-MRXNPFEDSA-N 1 1 349.833 4.366 20 10 EICDMO COc1ccc(N2CCC[N@@H+](Cc3ccc(Cl)s3)CC2)cc1 ZINC000108091739 1026791073 /nfs/dbraw/zinc/79/10/73/1026791073.db2.gz OAQYWBWFWZJZKT-UHFFFAOYSA-N 1 1 336.888 4.122 20 10 EICDMO C[C@H]([NH2+]Cc1c(F)cccc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000121014995 1027650226 /nfs/dbraw/zinc/65/02/26/1027650226.db2.gz KJLXWJZXHRNCKU-AWEZNQCLSA-N 1 1 348.849 4.167 20 10 EICDMO Cc1cc(O)c(C[NH2+][C@H]2CCCc3cn(C(C)C)nc32)c(Cl)c1 ZINC000840939360 1027795518 /nfs/dbraw/zinc/79/55/18/1027795518.db2.gz LSXQGNMTQKZXSL-INIZCTEOSA-N 1 1 333.863 4.299 20 10 EICDMO C[C@H](c1nnc(-c2cccc(F)c2)s1)[N@H+](C)Cc1ccccc1O ZINC000367304271 1029226377 /nfs/dbraw/zinc/22/63/77/1029226377.db2.gz BIJFFIXSWNJZFF-GFCCVEGCSA-N 1 1 343.427 4.243 20 10 EICDMO C[C@H](c1nnc(-c2cccc(F)c2)s1)[N@@H+](C)Cc1ccccc1O ZINC000367304271 1029226397 /nfs/dbraw/zinc/22/63/97/1029226397.db2.gz BIJFFIXSWNJZFF-GFCCVEGCSA-N 1 1 343.427 4.243 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CCCn2nc(C(C)C)nc21)c1ccc(N(C)C)cc1 ZINC000167977128 1029646222 /nfs/dbraw/zinc/64/62/22/1029646222.db2.gz YSFDFWLNHKJDAB-ZWKOTPCHSA-N 1 1 341.503 4.043 20 10 EICDMO CCOc1cccc(C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)c1O ZINC000278691097 1029694090 /nfs/dbraw/zinc/69/40/90/1029694090.db2.gz ITUYBQIWBDKAOI-SECBINFHSA-N 1 1 346.374 4.117 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000179585933 1031223159 /nfs/dbraw/zinc/22/31/59/1031223159.db2.gz CQIOHZDULKNOIJ-FQEVSTJZSA-N 1 1 339.460 4.190 20 10 EICDMO CC[C@@H]([NH2+][C@H]1CCN(C(C)=O)c2ccccc21)c1ccc(F)cc1O ZINC000375837443 1031332395 /nfs/dbraw/zinc/33/23/95/1031332395.db2.gz GQEPFIVLCBMDPF-MSOLQXFVSA-N 1 1 342.414 4.070 20 10 EICDMO C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1O)C[C@H]1CCO[C@H]1C ZINC001168243460 1031427423 /nfs/dbraw/zinc/42/74/23/1031427423.db2.gz DZVUYNSMNUHCGL-JENIJYKNSA-N 1 1 325.452 4.380 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CCOc2cc(OC)ccc21)c1ccc(F)cc1O ZINC000375896905 1031462263 /nfs/dbraw/zinc/46/22/63/1031462263.db2.gz BHJVMYPGPZDFBQ-DLBZAZTESA-N 1 1 331.387 4.104 20 10 EICDMO CC[C@@H]([NH2+][C@@H]1CCOc2cc(OC)ccc21)c1ccc(F)cc1O ZINC000375896906 1031462650 /nfs/dbraw/zinc/46/26/50/1031462650.db2.gz BHJVMYPGPZDFBQ-IAGOWNOFSA-N 1 1 331.387 4.104 20 10 EICDMO CCN(CC)c1ccc(C[NH2+]Cc2cc(-c3ccccc3)on2)cc1 ZINC000236965066 1033726369 /nfs/dbraw/zinc/72/63/69/1033726369.db2.gz KGOBONFMZWJDRI-UHFFFAOYSA-N 1 1 335.451 4.478 20 10 EICDMO C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc2ccccc2c1[O-] ZINC000323861758 1035719011 /nfs/dbraw/zinc/71/90/11/1035719011.db2.gz PAMUCUUFSBLOCP-DLBZAZTESA-N 1 1 326.484 4.461 20 10 EICDMO C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc2ccccc2c1[O-] ZINC000323861758 1035719034 /nfs/dbraw/zinc/71/90/34/1035719034.db2.gz PAMUCUUFSBLOCP-DLBZAZTESA-N 1 1 326.484 4.461 20 10 EICDMO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3ccccc3OC)C2)c1O ZINC000761203388 1036040798 /nfs/dbraw/zinc/04/07/98/1036040798.db2.gz RCVUPGNHSZSREB-CYBMUJFWSA-N 1 1 347.842 4.052 20 10 EICDMO Cc1ncsc1C[N@H+](C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000172495806 1038152104 /nfs/dbraw/zinc/15/21/04/1038152104.db2.gz IQPDYYBOUJBXBA-UHFFFAOYSA-N 1 1 342.464 4.414 20 10 EICDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccncc1Cl ZINC000173479467 1038363717 /nfs/dbraw/zinc/36/37/17/1038363717.db2.gz ZYNHLIHYICIUFX-UHFFFAOYSA-N 1 1 329.875 4.357 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccncc1Cl ZINC000173479467 1038363729 /nfs/dbraw/zinc/36/37/29/1038363729.db2.gz ZYNHLIHYICIUFX-UHFFFAOYSA-N 1 1 329.875 4.357 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000174374857 1038923129 /nfs/dbraw/zinc/92/31/29/1038923129.db2.gz AUCYHHNCHUSEHY-OAHLLOKOSA-N 1 1 344.430 4.079 20 10 EICDMO CCCN1CCC([NH2+]CCc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000761571227 1042884961 /nfs/dbraw/zinc/88/49/61/1042884961.db2.gz FUPWCIGICPKJOK-UHFFFAOYSA-N 1 1 339.527 4.101 20 10 EICDMO [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC2(CCCC2)C1 ZINC000715725034 1043160336 /nfs/dbraw/zinc/16/03/36/1043160336.db2.gz MMKDEXAADANHQH-UHFFFAOYSA-N 1 1 328.225 4.060 20 10 EICDMO C[C@@H](CNCc1ccc(N2CCCCC2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000727643653 1043255909 /nfs/dbraw/zinc/25/59/09/1043255909.db2.gz BCZZHMPJYMETDS-OALUTQOASA-N 1 1 329.532 4.029 20 10 EICDMO C[C@@H](CNCc1ccc(N2CCCCC2)cc1)[N@H+]1CCCC[C@@H]1C ZINC000727643653 1043255922 /nfs/dbraw/zinc/25/59/22/1043255922.db2.gz BCZZHMPJYMETDS-OALUTQOASA-N 1 1 329.532 4.029 20 10 EICDMO CCCN(CCC)c1ccc(CN[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000727644355 1043256037 /nfs/dbraw/zinc/25/60/37/1043256037.db2.gz BNCAKIOERRKCTC-LEWJYISDSA-N 1 1 329.532 4.029 20 10 EICDMO CCCN(CCC)c1ccc(C[NH2+][C@H]2CCN3CCCC[C@H]23)cc1 ZINC000727644355 1043256058 /nfs/dbraw/zinc/25/60/58/1043256058.db2.gz BNCAKIOERRKCTC-LEWJYISDSA-N 1 1 329.532 4.029 20 10 EICDMO C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1cccs1 ZINC000715747404 1043616297 /nfs/dbraw/zinc/61/62/97/1043616297.db2.gz UQQPAQYAVLCJRB-MRVPVSSYSA-N 1 1 330.222 4.206 20 10 EICDMO CC(C)n1ccc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)n1 ZINC000766095283 1044062452 /nfs/dbraw/zinc/06/24/52/1044062452.db2.gz RTABBPCLCNWCLL-MRXNPFEDSA-N 1 1 344.478 4.444 20 10 EICDMO COC(=O)c1occc1C[N@@H+](Cc1ccccc1O)C1CCCCC1 ZINC000733199438 1044126849 /nfs/dbraw/zinc/12/68/49/1044126849.db2.gz XZDRIMUXIQVFRE-UHFFFAOYSA-N 1 1 343.423 4.107 20 10 EICDMO Cc1ccc2nc(C[N@@H+](Cc3ccccc3O)C3CCCC3)cn2c1 ZINC000733613949 1044268053 /nfs/dbraw/zinc/26/80/53/1044268053.db2.gz RWWCQXAWACJHCW-UHFFFAOYSA-N 1 1 335.451 4.293 20 10 EICDMO Oc1ccc2ccncc2c1C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000736589207 1044957907 /nfs/dbraw/zinc/95/79/07/1044957907.db2.gz DONJKCPSQSJTTA-INIZCTEOSA-N 1 1 336.410 4.144 20 10 EICDMO Cc1cc(O)c(CN2CCC[C@H]([NH+]3CCCC3)CC2)cc1C(C)C ZINC000738268975 1045047838 /nfs/dbraw/zinc/04/78/38/1045047838.db2.gz FOCUFPTVPRHVTB-IBGZPJMESA-N 1 1 330.516 4.274 20 10 EICDMO c1ccc([C@@H]2CCCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000762795830 1045353572 /nfs/dbraw/zinc/35/35/72/1045353572.db2.gz ZCOIKRJPJMVOMD-QFIPXVFZSA-N 1 1 336.479 4.250 20 10 EICDMO C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc2ccccc2c1[O-] ZINC000790749524 1045572488 /nfs/dbraw/zinc/57/24/88/1045572488.db2.gz HNEQRHKYGHRZMX-MRXNPFEDSA-N 1 1 326.484 4.318 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000790947086 1045631247 /nfs/dbraw/zinc/63/12/47/1045631247.db2.gz IBPYRGURJMSLJG-UHFFFAOYSA-N 1 1 349.711 4.373 20 10 EICDMO Cc1ccc2ncc(C[N@H+](C)Cc3ccc(N4CCCCC4)cc3)n2c1 ZINC000768131210 1045723839 /nfs/dbraw/zinc/72/38/39/1045723839.db2.gz WOOIQHSJZCWOSI-UHFFFAOYSA-N 1 1 348.494 4.265 20 10 EICDMO CC[N@@H+](Cc1cnc(C2CCC2)s1)Cc1ccc(N(C)C)cc1 ZINC000768134896 1045724758 /nfs/dbraw/zinc/72/47/58/1045724758.db2.gz XGXAHJNICFASJR-UHFFFAOYSA-N 1 1 329.513 4.499 20 10 EICDMO C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1c(O)cccc1Cl ZINC000768159998 1045729311 /nfs/dbraw/zinc/72/93/11/1045729311.db2.gz KCKNXGRLQXEMDT-UHFFFAOYSA-N 1 1 327.758 4.279 20 10 EICDMO Cc1ccc(F)c(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000768162550 1045731510 /nfs/dbraw/zinc/73/15/10/1045731510.db2.gz PKQUQNOYIVVPML-SFHVURJKSA-N 1 1 329.415 4.021 20 10 EICDMO COc1cccc(O)c1C[N@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000768204082 1045742116 /nfs/dbraw/zinc/74/21/16/1045742116.db2.gz QWOALIIFZCCOHN-GFCCVEGCSA-N 1 1 328.437 4.204 20 10 EICDMO COc1cccc(O)c1C[N@@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000768204082 1045742130 /nfs/dbraw/zinc/74/21/30/1045742130.db2.gz QWOALIIFZCCOHN-GFCCVEGCSA-N 1 1 328.437 4.204 20 10 EICDMO COc1cc(Br)cc(C[N@@H+](C2CC2)C2CCCC2)c1O ZINC000768251816 1045763229 /nfs/dbraw/zinc/76/32/29/1045763229.db2.gz AGEODUXXMRRZGT-UHFFFAOYSA-N 1 1 340.261 4.070 20 10 EICDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2c(C)oc3ccccc32)c1 ZINC000768291260 1045782072 /nfs/dbraw/zinc/78/20/72/1045782072.db2.gz CHMRLEJDCZBJPL-GFCCVEGCSA-N 1 1 339.391 4.084 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)cc1F ZINC000768354104 1045795361 /nfs/dbraw/zinc/79/53/61/1045795361.db2.gz FHJZSQMALVZVNY-HXUWFJFHSA-N 1 1 327.447 4.404 20 10 EICDMO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(OC)c(OC)cc1O ZINC000768440186 1045807875 /nfs/dbraw/zinc/80/78/75/1045807875.db2.gz OSXAZBLZXAUOGE-UHFFFAOYSA-N 1 1 335.831 4.085 20 10 EICDMO COCCCC[N@@H+](Cc1ccccc1)Cc1cc(OC)c(C)cc1O ZINC000768443176 1045807892 /nfs/dbraw/zinc/80/78/92/1045807892.db2.gz QECPWYOHWSJNGT-UHFFFAOYSA-N 1 1 343.467 4.138 20 10 EICDMO CCC[N@@H+](Cc1cccc(OC)c1O)[C@H](C)c1ccccc1OC ZINC000768478222 1045808400 /nfs/dbraw/zinc/80/84/00/1045808400.db2.gz JAELGTBNHOUXGI-OAHLLOKOSA-N 1 1 329.440 4.383 20 10 EICDMO COc1cc(O)c(C[N@H+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)cc1OC ZINC000768465491 1045810673 /nfs/dbraw/zinc/81/06/73/1045810673.db2.gz IEKHESKTOJGDEX-CXAGYDPISA-N 1 1 345.414 4.132 20 10 EICDMO COc1cccc(C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1O ZINC000768779810 1045841453 /nfs/dbraw/zinc/84/14/53/1045841453.db2.gz WYMMXWPZUZWKOK-INIZCTEOSA-N 1 1 336.435 4.262 20 10 EICDMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(N2CCCCC2)cc1 ZINC000768892150 1045854202 /nfs/dbraw/zinc/85/42/02/1045854202.db2.gz ICYDJCNRYBBLLA-IBGZPJMESA-N 1 1 338.495 4.060 20 10 EICDMO Cn1c2ccccc2cc1[N@H+]1C(=N)C=CC(/N=N/c2ccccc2)=C1N ZINC001212043123 1045855756 /nfs/dbraw/zinc/85/57/56/1045855756.db2.gz NVFPPRSSOBEFML-JNVQNEIGSA-N 1 1 342.406 4.446 20 10 EICDMO Oc1ccc(C2CC[NH+](Cc3c(O)ccc(Cl)c3F)CC2)cc1 ZINC000792156374 1045867741 /nfs/dbraw/zinc/86/77/41/1045867741.db2.gz BOYUCQQMUJDCRZ-UHFFFAOYSA-N 1 1 335.806 4.270 20 10 EICDMO CC[N@@H+](Cc1occc1C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000769142770 1045884445 /nfs/dbraw/zinc/88/44/45/1045884445.db2.gz ZNIRWHXMJCMTKW-UHFFFAOYSA-N 1 1 342.483 4.225 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)cc1C ZINC000769245779 1045900976 /nfs/dbraw/zinc/90/09/76/1045900976.db2.gz WVGSJZUBDPHKED-PZJWPPBQSA-N 1 1 325.452 4.097 20 10 EICDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1 ZINC000769307307 1045913934 /nfs/dbraw/zinc/91/39/34/1045913934.db2.gz GRRMPFCUMFSACT-SFHVURJKSA-N 1 1 349.434 4.478 20 10 EICDMO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(N(C)C)c(F)c1)CCC2 ZINC000769404794 1045951666 /nfs/dbraw/zinc/95/16/66/1045951666.db2.gz QAMQYYHLRDTEHI-QGZVFWFLSA-N 1 1 333.476 4.166 20 10 EICDMO CCOc1ccc(C[N@@H+](C)[C@H]2CCCc3nc(C)sc32)c(O)c1 ZINC000769403916 1045953098 /nfs/dbraw/zinc/95/30/98/1045953098.db2.gz JUZGIMCGWMAIDQ-INIZCTEOSA-N 1 1 332.469 4.065 20 10 EICDMO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@@H](c2ccc(F)cc2)O1 ZINC000769476222 1045990801 /nfs/dbraw/zinc/99/08/01/1045990801.db2.gz XHAWURJDMNEAKV-SGTLLEGYSA-N 1 1 335.806 4.147 20 10 EICDMO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@@H](c2ccc(F)cc2)O1 ZINC000769476222 1045990815 /nfs/dbraw/zinc/99/08/15/1045990815.db2.gz XHAWURJDMNEAKV-SGTLLEGYSA-N 1 1 335.806 4.147 20 10 EICDMO c1ccc([C@H]2COCC[N@H+]2Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000769503808 1045999679 /nfs/dbraw/zinc/99/96/79/1045999679.db2.gz NAFJDDKPUARFAN-JOCHJYFZSA-N 1 1 336.479 4.250 20 10 EICDMO c1ccc([C@H]2COCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000769503808 1045999698 /nfs/dbraw/zinc/99/96/98/1045999698.db2.gz NAFJDDKPUARFAN-JOCHJYFZSA-N 1 1 336.479 4.250 20 10 EICDMO CCOc1ccc(C[N@@H+](C)[C@@H]2CCCc3nc(CC)sc32)c(O)c1 ZINC000769515436 1046007178 /nfs/dbraw/zinc/00/71/78/1046007178.db2.gz SLOXUNUDWCNSRU-MRXNPFEDSA-N 1 1 346.496 4.319 20 10 EICDMO CCOc1cccc(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)c1O ZINC000769532681 1046011011 /nfs/dbraw/zinc/01/10/11/1046011011.db2.gz JZUCXMYQNGXZEL-HNNXBMFYSA-N 1 1 347.842 4.098 20 10 EICDMO CC1CCN(c2ccc(C[NH2+]Cc3ncc(Cl)s3)cc2)CC1 ZINC000769910697 1046095438 /nfs/dbraw/zinc/09/54/38/1046095438.db2.gz GYDDSAGXUIIEFQ-UHFFFAOYSA-N 1 1 335.904 4.323 20 10 EICDMO CO[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)CC1(C)C ZINC001170426818 1046158807 /nfs/dbraw/zinc/15/88/07/1046158807.db2.gz YGZRHNHFSMATGA-FQEVSTJZSA-N 1 1 330.516 4.232 20 10 EICDMO Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000770303810 1046176081 /nfs/dbraw/zinc/17/60/81/1046176081.db2.gz JBCGNIUMLRKIKP-UHFFFAOYSA-N 1 1 331.891 4.301 20 10 EICDMO CCOc1cccc(C[N@H+]2CCc3c(F)cc(F)cc3[C@@H]2C)c1O ZINC000770326467 1046180216 /nfs/dbraw/zinc/18/02/16/1046180216.db2.gz PNZZYVJLFJECFJ-LBPRGKRZSA-N 1 1 333.378 4.188 20 10 EICDMO CCOc1cccc(C[N@@H+]2CCc3c(F)cc(F)cc3[C@@H]2C)c1O ZINC000770326467 1046180208 /nfs/dbraw/zinc/18/02/08/1046180208.db2.gz PNZZYVJLFJECFJ-LBPRGKRZSA-N 1 1 333.378 4.188 20 10 EICDMO Cc1cc(O)c(C[N@@H+](CCCO)Cc2cccc(Cl)c2)cc1C ZINC000770346983 1046190055 /nfs/dbraw/zinc/19/00/55/1046190055.db2.gz GABDUINFSNHRGV-UHFFFAOYSA-N 1 1 333.859 4.047 20 10 EICDMO Cc1cccc(-c2n[nH]cc2C[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC000771934825 1046530056 /nfs/dbraw/zinc/53/00/56/1046530056.db2.gz ANFZGQGIMJYARV-UHFFFAOYSA-N 1 1 334.467 4.083 20 10 EICDMO Cc1cccc(CNc2ccc(C[NH+](C)C)c(Br)c2)c1O ZINC000786578052 1046850183 /nfs/dbraw/zinc/85/01/83/1046850183.db2.gz FXKNLKLRBMKHTI-UHFFFAOYSA-N 1 1 349.272 4.137 20 10 EICDMO COC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ccc(Cl)cc1 ZINC000786955810 1046883982 /nfs/dbraw/zinc/88/39/82/1046883982.db2.gz DPVRXYZYRPGWJZ-QFYYESIMSA-N 1 1 341.785 4.362 20 10 EICDMO Oc1ccc2oc3c(c2c1C[N@H+]1CCO[C@H]2CCCC[C@@H]21)CCCC3 ZINC000917472974 1046898103 /nfs/dbraw/zinc/89/81/03/1046898103.db2.gz LNUHRHQDCYPHCH-LPHOPBHVSA-N 1 1 341.451 4.161 20 10 EICDMO CCC[N@@H+](Cc1cccc(C)c1O)[C@H](C)C(=O)Nc1ccccc1C ZINC000787326223 1046993856 /nfs/dbraw/zinc/99/38/56/1046993856.db2.gz AQHTYEGPFNZPEJ-QGZVFWFLSA-N 1 1 340.467 4.248 20 10 EICDMO CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000806133001 1047124437 /nfs/dbraw/zinc/12/44/37/1047124437.db2.gz FDWOAKMTYPMYTK-BLLLJJGKSA-N 1 1 345.314 4.472 20 10 EICDMO C[C@H]([NH2+]CCSC(F)(F)F)c1cccc(C(F)(F)F)c1O ZINC000788557635 1047222159 /nfs/dbraw/zinc/22/21/59/1047222159.db2.gz NSUJTBXUQAVMLZ-ZETCQYMHSA-N 1 1 333.297 4.315 20 10 EICDMO C[C@@H]([NH2+]CC1(CCO)CCCC1)c1cccc(C(F)(F)F)c1O ZINC000788607687 1047245132 /nfs/dbraw/zinc/24/51/32/1047245132.db2.gz CALVEERUORUBRN-GFCCVEGCSA-N 1 1 331.378 4.004 20 10 EICDMO COC[C@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)c1ccc(C)o1 ZINC000788607744 1047245773 /nfs/dbraw/zinc/24/57/73/1047245773.db2.gz CGYKRLVOLWOJJV-RISCZKNCSA-N 1 1 343.345 4.351 20 10 EICDMO CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CCO1 ZINC000788646925 1047247575 /nfs/dbraw/zinc/24/75/75/1047247575.db2.gz FHKCVJOAAUMCJA-YWPYICTPSA-N 1 1 331.378 4.265 20 10 EICDMO Cc1nc(CC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)sc1C ZINC000788629725 1047254960 /nfs/dbraw/zinc/25/49/60/1047254960.db2.gz CZOMQPZKDGWPHO-JTQLQIEISA-N 1 1 344.402 4.378 20 10 EICDMO C[C@@H](Nc1ccc2c(c1)[nH+]cn2C)c1cccc(C(F)(F)F)c1O ZINC000788729032 1047282756 /nfs/dbraw/zinc/28/27/56/1047282756.db2.gz IHXISIAJCODBLE-SNVBAGLBSA-N 1 1 335.329 4.471 20 10 EICDMO Cc1cc(NCc2cc(Cl)c3cccnc3c2O)c2[nH+]ccn2c1 ZINC001168523822 1047459113 /nfs/dbraw/zinc/45/91/13/1047459113.db2.gz STNROOHISZVKSY-UHFFFAOYSA-N 1 1 338.798 4.162 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCC3(C2)Oc2ccccc2O3)cc1C(C)C ZINC000808237651 1047853196 /nfs/dbraw/zinc/85/31/96/1047853196.db2.gz ANNDXQAREKUOQW-UHFFFAOYSA-N 1 1 339.435 4.197 20 10 EICDMO CC(C)[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H](C)c1ccccc1 ZINC000814169812 1047871542 /nfs/dbraw/zinc/87/15/42/1047871542.db2.gz MWFHDGNPWBOZHK-LJQANCHMSA-N 1 1 338.495 4.495 20 10 EICDMO COc1cc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)c(O)c(C(C)(C)C)c1 ZINC000824650498 1047894416 /nfs/dbraw/zinc/89/44/16/1047894416.db2.gz RFLKLTFGZNSRGU-KRWDZBQOSA-N 1 1 343.471 4.149 20 10 EICDMO COc1cc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)c(O)c(C(C)(C)C)c1 ZINC000824650498 1047894426 /nfs/dbraw/zinc/89/44/26/1047894426.db2.gz RFLKLTFGZNSRGU-KRWDZBQOSA-N 1 1 343.471 4.149 20 10 EICDMO CCCN(CCC)c1ccc(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)cc1 ZINC000825017716 1048019968 /nfs/dbraw/zinc/01/99/68/1048019968.db2.gz YCEFWUSIRFPUIA-APWZRJJASA-N 1 1 326.488 4.305 20 10 EICDMO CCc1nc(C[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)co1 ZINC000825062465 1048028918 /nfs/dbraw/zinc/02/89/18/1048028918.db2.gz XHWKBXVACIRPMI-UHFFFAOYSA-N 1 1 341.480 4.225 20 10 EICDMO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)[nH]1 ZINC000808716323 1048064619 /nfs/dbraw/zinc/06/46/19/1048064619.db2.gz MMWRWDIHUPMYKO-WCQGTBRESA-N 1 1 336.867 4.397 20 10 EICDMO Cc1cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)ccc1N(C)C ZINC000815060997 1048314224 /nfs/dbraw/zinc/31/42/24/1048314224.db2.gz XNPYADFBPWPQPM-HKUYNNGSSA-N 1 1 344.524 4.211 20 10 EICDMO Cc1cccc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2)c1O ZINC000809699528 1048462459 /nfs/dbraw/zinc/46/24/59/1048462459.db2.gz SNRCOKXIWFNHHU-JOCHJYFZSA-N 1 1 347.458 4.436 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)cc1F ZINC000809729345 1048477140 /nfs/dbraw/zinc/47/71/40/1048477140.db2.gz SMAAUBPNNUYEAT-IBGZPJMESA-N 1 1 327.447 4.404 20 10 EICDMO C[C@H]1C[C@@H](N2CCCC2)C[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000809704179 1048488256 /nfs/dbraw/zinc/48/82/56/1048488256.db2.gz WMSDRLNCROIGNQ-LAUBAEHRSA-N 1 1 336.479 4.118 20 10 EICDMO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(-c2ccccc2)ccc1O ZINC000809704179 1048488272 /nfs/dbraw/zinc/48/82/72/1048488272.db2.gz WMSDRLNCROIGNQ-LAUBAEHRSA-N 1 1 336.479 4.118 20 10 EICDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000809767781 1048502577 /nfs/dbraw/zinc/50/25/77/1048502577.db2.gz SYBMUMOXYSCENX-MRXNPFEDSA-N 1 1 341.842 4.060 20 10 EICDMO COCc1ccccc1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815555786 1048508966 /nfs/dbraw/zinc/50/89/66/1048508966.db2.gz IAZLZAZEUUDINP-GFCCVEGCSA-N 1 1 339.357 4.408 20 10 EICDMO COCc1cccc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)c1 ZINC000815561138 1048509895 /nfs/dbraw/zinc/50/98/95/1048509895.db2.gz ZKFDQEVDQKUQJB-GFCCVEGCSA-N 1 1 339.357 4.408 20 10 EICDMO C[C@H]([NH2+][C@H]1CCc2c1cccc2O)c1cccc(C(F)(F)F)c1O ZINC000815576284 1048516791 /nfs/dbraw/zinc/51/67/91/1048516791.db2.gz NNSQXEHOCZWWJY-BONVTDFDSA-N 1 1 337.341 4.455 20 10 EICDMO Cc1ccc2nc(C[NH2+][C@H](C)c3cccc(C(F)(F)F)c3O)cn2c1 ZINC000815576585 1048518765 /nfs/dbraw/zinc/51/87/65/1048518765.db2.gz UBIHVFKCPYEIGS-GFCCVEGCSA-N 1 1 349.356 4.218 20 10 EICDMO CC(C)c1cc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)on1 ZINC000815580114 1048520141 /nfs/dbraw/zinc/52/01/41/1048520141.db2.gz CJVHEFRJGUACJJ-SNVBAGLBSA-N 1 1 328.334 4.373 20 10 EICDMO CCOc1cccc(C[N@H+]2CCCCC[C@@H]2c2c(C)n[nH]c2C)c1O ZINC000809757651 1048521146 /nfs/dbraw/zinc/52/11/46/1048521146.db2.gz QLGVLTQKEFPTBF-QGZVFWFLSA-N 1 1 343.471 4.248 20 10 EICDMO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1cccc(C(F)(F)F)c1O ZINC000815583622 1048523423 /nfs/dbraw/zinc/52/34/23/1048523423.db2.gz KJNDNNIGDYGCIE-XOPPTJLZSA-N 1 1 343.389 4.265 20 10 EICDMO CSc1cc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)ccn1 ZINC000815590187 1048527344 /nfs/dbraw/zinc/52/73/44/1048527344.db2.gz OAZDIBOSELHIEK-SNVBAGLBSA-N 1 1 342.386 4.379 20 10 EICDMO Cc1cc(O)c(C[N@H+](Cc2ccccc2)C2CCN(C)CC2)cc1C ZINC000809765856 1048528197 /nfs/dbraw/zinc/52/81/97/1048528197.db2.gz PNKLVFFNJSGNAB-UHFFFAOYSA-N 1 1 338.495 4.105 20 10 EICDMO Cc1cc(C[C@@H](C)[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)n[nH]1 ZINC000815596897 1048529942 /nfs/dbraw/zinc/52/99/42/1048529942.db2.gz HFKFPRRWAVUPTG-IERDGZPVSA-N 1 1 349.478 4.318 20 10 EICDMO COCCc1cc[nH+]c(N[C@@H](C)c2cccc(C(F)(F)F)c2O)c1 ZINC000815625741 1048551858 /nfs/dbraw/zinc/55/18/58/1048551858.db2.gz LBFXJRCVBJFYLH-NSHDSACASA-N 1 1 340.345 4.168 20 10 EICDMO Oc1cc(F)c(Br)cc1C[N@@H+]1CCC12CCCCC2 ZINC001144293718 1048571470 /nfs/dbraw/zinc/57/14/70/1048571470.db2.gz RXFLMLBHXCUQFP-UHFFFAOYSA-N 1 1 328.225 4.202 20 10 EICDMO Oc1cc(F)c(Br)cc1C[N@H+]1CCC12CCCCC2 ZINC001144293718 1048571490 /nfs/dbraw/zinc/57/14/90/1048571490.db2.gz RXFLMLBHXCUQFP-UHFFFAOYSA-N 1 1 328.225 4.202 20 10 EICDMO Oc1cc(F)c(Br)cc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC001144306935 1048585146 /nfs/dbraw/zinc/58/51/46/1048585146.db2.gz XCEYDZSGAFZEEV-QMTHXVAHSA-N 1 1 328.225 4.058 20 10 EICDMO Oc1cc(F)c(Br)cc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001144306935 1048585167 /nfs/dbraw/zinc/58/51/67/1048585167.db2.gz XCEYDZSGAFZEEV-QMTHXVAHSA-N 1 1 328.225 4.058 20 10 EICDMO CC[N@@H+](Cc1c[nH]c2nc(Cl)ccc12)Cc1ccc(N(C)C)cc1 ZINC001144416656 1048651154 /nfs/dbraw/zinc/65/11/54/1048651154.db2.gz PVONMMZKDZKTBY-UHFFFAOYSA-N 1 1 342.874 4.304 20 10 EICDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc3sccc3c2)c1 ZINC000810242663 1048724504 /nfs/dbraw/zinc/72/45/04/1048724504.db2.gz GMBUJVYFXUXRFW-LBPRGKRZSA-N 1 1 341.432 4.244 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000846105230 1048821881 /nfs/dbraw/zinc/82/18/81/1048821881.db2.gz RNUGCKOYQJLRSC-AWEZNQCLSA-N 1 1 346.215 4.084 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000846105230 1048821883 /nfs/dbraw/zinc/82/18/83/1048821883.db2.gz RNUGCKOYQJLRSC-AWEZNQCLSA-N 1 1 346.215 4.084 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000816502690 1048821959 /nfs/dbraw/zinc/82/19/59/1048821959.db2.gz LUELLWNNUWJANY-SFHVURJKSA-N 1 1 335.806 4.148 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000816502690 1048821964 /nfs/dbraw/zinc/82/19/64/1048821964.db2.gz LUELLWNNUWJANY-SFHVURJKSA-N 1 1 335.806 4.148 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000816516223 1048822982 /nfs/dbraw/zinc/82/29/82/1048822982.db2.gz YITVQYPPZYKKGB-HNNXBMFYSA-N 1 1 349.833 4.223 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000816516223 1048822983 /nfs/dbraw/zinc/82/29/83/1048822983.db2.gz YITVQYPPZYKKGB-HNNXBMFYSA-N 1 1 349.833 4.223 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccccc1Br ZINC000816543428 1048827234 /nfs/dbraw/zinc/82/72/34/1048827234.db2.gz AOXPGFYMFJHXNM-UHFFFAOYSA-N 1 1 344.611 4.237 20 10 EICDMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccc1-n1cccn1 ZINC000816556730 1048833849 /nfs/dbraw/zinc/83/38/49/1048833849.db2.gz SNOSJXHOJUDCCY-GFCCVEGCSA-N 1 1 345.805 4.221 20 10 EICDMO Cc1ccc(C2CC[NH+](Cc3cc(Cl)c(F)cc3O)CC2)cn1 ZINC000816567017 1048837182 /nfs/dbraw/zinc/83/71/82/1048837182.db2.gz OFVMEBLLYWVITM-UHFFFAOYSA-N 1 1 334.822 4.268 20 10 EICDMO Cc1nc2c(s1)[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)CCC2 ZINC000816565776 1048837748 /nfs/dbraw/zinc/83/77/48/1048837748.db2.gz BGDXMIDRQLFDBM-LBPRGKRZSA-N 1 1 326.824 4.117 20 10 EICDMO OCC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccc(Cl)cc1 ZINC000816612317 1048843539 /nfs/dbraw/zinc/84/35/39/1048843539.db2.gz LYHBMKMHPGOPOC-OAHLLOKOSA-N 1 1 344.213 4.051 20 10 EICDMO CC1(C)C[N@H+](Cc2ccc3ccccc3c2O)C[C@H](C(F)(F)F)O1 ZINC000816616735 1048845433 /nfs/dbraw/zinc/84/54/33/1048845433.db2.gz FEGNYTURHMXIEA-OAHLLOKOSA-N 1 1 339.357 4.087 20 10 EICDMO CC1(C)C[N@@H+](Cc2ccc3ccccc3c2O)C[C@H](C(F)(F)F)O1 ZINC000816616735 1048845438 /nfs/dbraw/zinc/84/54/38/1048845438.db2.gz FEGNYTURHMXIEA-OAHLLOKOSA-N 1 1 339.357 4.087 20 10 EICDMO COc1cc(O)c(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)cc1OC ZINC000816632157 1048852187 /nfs/dbraw/zinc/85/21/87/1048852187.db2.gz WSENMVOTMJXNBN-AWEZNQCLSA-N 1 1 347.842 4.052 20 10 EICDMO C[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(F)cc1O ZINC000817975046 1049073866 /nfs/dbraw/zinc/07/38/66/1049073866.db2.gz HZUVISYJQACGEU-MEDUHNTESA-N 1 1 330.403 4.067 20 10 EICDMO CCN(C)c1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000773076549 1049567998 /nfs/dbraw/zinc/56/79/98/1049567998.db2.gz ODOMQSSITKGDTM-MOPGFXCFSA-N 1 1 331.548 4.161 20 10 EICDMO CCN(C)c1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000773076549 1049568005 /nfs/dbraw/zinc/56/80/05/1049568005.db2.gz ODOMQSSITKGDTM-MOPGFXCFSA-N 1 1 331.548 4.161 20 10 EICDMO Cc1cc(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c(O)c(C(C)(C)C)c1 ZINC000747816867 1049575800 /nfs/dbraw/zinc/57/58/00/1049575800.db2.gz KKSIAGPSSLIPTA-GOSISDBHSA-N 1 1 341.499 4.241 20 10 EICDMO Nc1cc(NCc2cc3ccccc3cc2O)[nH+]c(C(F)(F)F)c1 ZINC001171399770 1049619095 /nfs/dbraw/zinc/61/90/95/1049619095.db2.gz LGNGILPFRBZYCO-UHFFFAOYSA-N 1 1 333.313 4.154 20 10 EICDMO C[NH+](C)Cc1c(F)cc(NCc2cc3ccccc3cc2O)cc1F ZINC001171407740 1049637447 /nfs/dbraw/zinc/63/74/47/1049637447.db2.gz WGZFQWPTUCBBNN-UHFFFAOYSA-N 1 1 342.389 4.497 20 10 EICDMO Oc1ccccc1C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000179568808 1049677117 /nfs/dbraw/zinc/67/71/17/1049677117.db2.gz LCRBMZYOWFTGQW-UHFFFAOYSA-N 1 1 336.410 4.171 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)[C@H]2CCc3cc(F)cc(F)c3C2)cc1 ZINC001170706315 1049768189 /nfs/dbraw/zinc/76/81/89/1049768189.db2.gz BAQWIFUEQLJFCQ-SFHVURJKSA-N 1 1 330.422 4.020 20 10 EICDMO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCc2cccc(O)c2C1 ZINC001171966083 1049826424 /nfs/dbraw/zinc/82/64/24/1049826424.db2.gz NVMUZMRHGLAFDV-CYBMUJFWSA-N 1 1 335.369 4.400 20 10 EICDMO CC[C@H]([NH2+][C@@H](C)[C@H]1OCCc2sccc21)c1ccc(F)cc1O ZINC000813884504 1049831412 /nfs/dbraw/zinc/83/14/12/1049831412.db2.gz IYRKWUSRRSLJGG-GEWABHDNSA-N 1 1 335.444 4.336 20 10 EICDMO Oc1ccccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172060499 1049842003 /nfs/dbraw/zinc/84/20/03/1049842003.db2.gz ATEKAMYXYASFHP-MZADTFQBSA-N 1 1 336.479 4.068 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CSc2ccccc2C1 ZINC001172201865 1049863823 /nfs/dbraw/zinc/86/38/23/1049863823.db2.gz KKRWNGBVBVUJNA-FQEVSTJZSA-N 1 1 338.520 4.436 20 10 EICDMO COCC1=CC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000824195695 1049905505 /nfs/dbraw/zinc/90/55/05/1049905505.db2.gz JNLVYKCSCWDCTQ-UHFFFAOYSA-N 1 1 342.508 4.163 20 10 EICDMO CN(c1ccc(C[NH2+]Cc2c(Cl)cnn2C)cc1)C1CCCCC1 ZINC000130867315 1049960142 /nfs/dbraw/zinc/96/01/42/1049960142.db2.gz NGHDWYMBZNUMOD-UHFFFAOYSA-N 1 1 346.906 4.132 20 10 EICDMO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+](C)Cc1ccccc1O ZINC001173084447 1050296380 /nfs/dbraw/zinc/29/63/80/1050296380.db2.gz BPXZQPBCJNWUIJ-CYBMUJFWSA-N 1 1 339.357 4.354 20 10 EICDMO COc1c(O)c(C[N@@H+]2CCCC[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000775069759 1050460731 /nfs/dbraw/zinc/46/07/31/1050460731.db2.gz SVXGJSLPMXDUTP-INIZCTEOSA-N 1 1 342.395 4.036 20 10 EICDMO COc1c(O)c(C[N@H+]2CCCC[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000775069759 1050460736 /nfs/dbraw/zinc/46/07/36/1050460736.db2.gz SVXGJSLPMXDUTP-INIZCTEOSA-N 1 1 342.395 4.036 20 10 EICDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2ncc(-c3ccc(F)cc3)o2)c1 ZINC000182342751 1050617315 /nfs/dbraw/zinc/61/73/15/1050617315.db2.gz OUYDQMJNZXTRCS-LBPRGKRZSA-N 1 1 342.370 4.046 20 10 EICDMO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000182465884 1050688173 /nfs/dbraw/zinc/68/81/73/1050688173.db2.gz LVCCCZSBSLCPCK-KBPBESRZSA-N 1 1 338.407 4.468 20 10 EICDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc1F ZINC001179845393 1050798169 /nfs/dbraw/zinc/79/81/69/1050798169.db2.gz SDMYUVTUYVQMFX-MRXNPFEDSA-N 1 1 344.474 4.211 20 10 EICDMO CCCOc1ccc2c(c1)CC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001179979475 1050839673 /nfs/dbraw/zinc/83/96/73/1050839673.db2.gz GKFKAPIWHNXYCG-UHFFFAOYSA-N 1 1 331.843 4.393 20 10 EICDMO C[C@@H](C[N@@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O)c1nccs1 ZINC000182840355 1050847179 /nfs/dbraw/zinc/84/71/79/1050847179.db2.gz WWNQPLSHJPSJGO-LBPRGKRZSA-N 1 1 334.485 4.087 20 10 EICDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2cc(Cl)cc(F)c2[O-])c1 ZINC001179967106 1050850101 /nfs/dbraw/zinc/85/01/01/1050850101.db2.gz YDWYULXONHGCSL-INIZCTEOSA-N 1 1 349.833 4.400 20 10 EICDMO CCc1[nH+]ccn1CC(=O)c1cc(C)n(-c2ccc(C)c(C)c2)c1C ZINC001189004996 1050884383 /nfs/dbraw/zinc/88/43/83/1050884383.db2.gz PFAFJTOCNVWIHO-UHFFFAOYSA-N 1 1 335.451 4.353 20 10 EICDMO COc1cc(C[N@@H+](C)C2Cc3ccccc3C2)c(O)c(C(C)(C)C)c1 ZINC001180172821 1050892754 /nfs/dbraw/zinc/89/27/54/1050892754.db2.gz BIPYACDOFNKPFQ-UHFFFAOYSA-N 1 1 339.479 4.298 20 10 EICDMO CCc1cccc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)c1O ZINC001180154800 1050900806 /nfs/dbraw/zinc/90/08/06/1050900806.db2.gz XQAVJOXADSLTKY-OXJNMPFZSA-N 1 1 325.452 4.225 20 10 EICDMO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC001180189742 1050922292 /nfs/dbraw/zinc/92/22/92/1050922292.db2.gz VRKFLFAHTRWSSR-KRWDZBQOSA-N 1 1 333.378 4.406 20 10 EICDMO COc1ccccc1[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC001180189742 1050922306 /nfs/dbraw/zinc/92/23/06/1050922306.db2.gz VRKFLFAHTRWSSR-KRWDZBQOSA-N 1 1 333.378 4.406 20 10 EICDMO CCC1(CC)CC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC001180267300 1050941982 /nfs/dbraw/zinc/94/19/82/1050941982.db2.gz SUWXKMKLGXTTOP-UHFFFAOYSA-N 1 1 326.278 4.475 20 10 EICDMO CCC1(CC)CC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC001180267300 1050941995 /nfs/dbraw/zinc/94/19/95/1050941995.db2.gz SUWXKMKLGXTTOP-UHFFFAOYSA-N 1 1 326.278 4.475 20 10 EICDMO Cc1ccc(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c(O)c1 ZINC001180289287 1050955081 /nfs/dbraw/zinc/95/50/81/1050955081.db2.gz YSEZUMSMUVTSEQ-RXVVDRJESA-N 1 1 338.495 4.186 20 10 EICDMO C[N@H+](CCOc1cccc(Cl)c1)Cc1cc(Cl)c(F)cc1O ZINC001180437662 1050990180 /nfs/dbraw/zinc/99/01/80/1050990180.db2.gz OOGSITDYBMUENK-UHFFFAOYSA-N 1 1 344.213 4.349 20 10 EICDMO C[N@@H+](CCOc1cccc(Cl)c1)Cc1cc(Cl)c(F)cc1O ZINC001180437662 1050990193 /nfs/dbraw/zinc/99/01/93/1050990193.db2.gz OOGSITDYBMUENK-UHFFFAOYSA-N 1 1 344.213 4.349 20 10 EICDMO COc1ccc(C[N@H+]2CC[C@@H](C)C3(CCCCC3)C2)c(O)c1OC ZINC001181090005 1051146785 /nfs/dbraw/zinc/14/67/85/1051146785.db2.gz XJAILLFVAWYLPW-OAHLLOKOSA-N 1 1 333.472 4.202 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)c1O ZINC001181214268 1051186762 /nfs/dbraw/zinc/18/67/62/1051186762.db2.gz UIPAFDAMGBTSMS-SFHVURJKSA-N 1 1 335.806 4.125 20 10 EICDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC001181400733 1051226862 /nfs/dbraw/zinc/22/68/62/1051226862.db2.gz WASVLDQCIMHMJN-FQEVSTJZSA-N 1 1 344.524 4.385 20 10 EICDMO CCN(C)c1ccc(C[N@@H+](CCOC)[C@H](C)c2ccccc2)cc1 ZINC001190635859 1051241445 /nfs/dbraw/zinc/24/14/45/1051241445.db2.gz SDIZSEPVMIAROC-GOSISDBHSA-N 1 1 326.484 4.352 20 10 EICDMO COc1ccc(O)c(C[N@H+]2C[C@H](C)CC[C@H]2c2ccccc2OC)c1 ZINC001181674866 1051276653 /nfs/dbraw/zinc/27/66/53/1051276653.db2.gz PRIPIAMOLQAAQS-BEFAXECRSA-N 1 1 341.451 4.383 20 10 EICDMO CCN(C)c1ccc(C[N@@H+](CC)[C@@H](COC)Cc2ccccc2)cc1 ZINC001191454270 1051460310 /nfs/dbraw/zinc/46/03/10/1051460310.db2.gz MVGZVTYQMBCRNZ-JOCHJYFZSA-N 1 1 340.511 4.222 20 10 EICDMO COc1cc(C)cc(C[N@H+]2CCC[C@@]2(C)Cc2ccc(F)cc2)c1O ZINC001182452864 1051579999 /nfs/dbraw/zinc/57/99/99/1051579999.db2.gz PSKAJZAMSSOWQN-NRFANRHFSA-N 1 1 343.442 4.446 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC001182460627 1051592995 /nfs/dbraw/zinc/59/29/95/1051592995.db2.gz AKTMAVRDQWEUAF-SECBINFHSA-N 1 1 325.733 4.349 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC001182460627 1051593003 /nfs/dbraw/zinc/59/30/03/1051593003.db2.gz AKTMAVRDQWEUAF-SECBINFHSA-N 1 1 325.733 4.349 20 10 EICDMO CN(CC[N@@H+](Cc1ccco1)Cc1ccccc1O)c1ccccc1 ZINC001192012035 1051611783 /nfs/dbraw/zinc/61/17/83/1051611783.db2.gz FZBNKDSTBRIJDC-UHFFFAOYSA-N 1 1 336.435 4.124 20 10 EICDMO CCN(C)c1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC001192080040 1051622201 /nfs/dbraw/zinc/62/22/01/1051622201.db2.gz FSPPKCNHPUNITE-UHFFFAOYSA-N 1 1 347.846 4.336 20 10 EICDMO CCN(C)c1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC001192080040 1051622206 /nfs/dbraw/zinc/62/22/06/1051622206.db2.gz FSPPKCNHPUNITE-UHFFFAOYSA-N 1 1 347.846 4.336 20 10 EICDMO CC[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cc(Cl)ccc1[O-] ZINC000775511830 1051660204 /nfs/dbraw/zinc/66/02/04/1051660204.db2.gz KEJFRQLSSDKVKG-GOSISDBHSA-N 1 1 336.907 4.493 20 10 EICDMO C[C@H]1C[N@@H+](Cc2ccc(Br)cc2O)CCc2ccccc21 ZINC001182734172 1051691477 /nfs/dbraw/zinc/69/14/77/1051691477.db2.gz PFDBOIZBJYXGHL-ZDUSSCGKSA-N 1 1 346.268 4.317 20 10 EICDMO CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775531595 1051747764 /nfs/dbraw/zinc/74/77/64/1051747764.db2.gz IHRBATRLFJZSMN-CQSZACIVSA-N 1 1 329.271 4.002 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH+]2CC(C)(c3ccccc3)C2)c1 ZINC001183009369 1051760872 /nfs/dbraw/zinc/76/08/72/1051760872.db2.gz CTTASSKEWBABRB-UHFFFAOYSA-N 1 1 346.268 4.237 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CCC[C@]2(C)C(=O)OC(C)(C)C)cc1Cl ZINC001183181779 1051802530 /nfs/dbraw/zinc/80/25/30/1051802530.db2.gz YEDQOXQIHWYFTM-GOSISDBHSA-N 1 1 339.863 4.050 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCC[C@]2(C)C(=O)OC(C)(C)C)cc1Cl ZINC001183181779 1051802536 /nfs/dbraw/zinc/80/25/36/1051802536.db2.gz YEDQOXQIHWYFTM-GOSISDBHSA-N 1 1 339.863 4.050 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000774639951 1051854094 /nfs/dbraw/zinc/85/40/94/1051854094.db2.gz NRHPHIJRZYYYRE-CQSZACIVSA-N 1 1 331.412 4.053 20 10 EICDMO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1c(O)cccc1F ZINC001183920258 1051927566 /nfs/dbraw/zinc/92/75/66/1051927566.db2.gz WIODMAZVBRXOSQ-LLVKDONJSA-N 1 1 327.321 4.271 20 10 EICDMO C[C@H]([NH2+]Cc1cccnc1OC1CCCC1)c1ccc(F)cc1O ZINC000185010247 1052360352 /nfs/dbraw/zinc/36/03/52/1052360352.db2.gz UNZBLYAVLXNWAO-ZDUSSCGKSA-N 1 1 330.403 4.099 20 10 EICDMO Cc1nc(C[NH2+]Cc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)[nH]c1C ZINC000850285595 1053106281 /nfs/dbraw/zinc/10/62/81/1053106281.db2.gz VQEHNVJXXBIYPE-ZDUSSCGKSA-N 1 1 346.906 4.206 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)cc1 ZINC001194884076 1053145448 /nfs/dbraw/zinc/14/54/48/1053145448.db2.gz XFYBJOVWMXREGU-SFTDATJTSA-N 1 1 338.495 4.431 20 10 EICDMO Cc1ccncc1CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000850505818 1053265365 /nfs/dbraw/zinc/26/53/65/1053265365.db2.gz YWWYQLBQPGQVOJ-LLVKDONJSA-N 1 1 325.239 4.296 20 10 EICDMO C[C@@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)c1ccc(F)cc1O ZINC000850505166 1053265528 /nfs/dbraw/zinc/26/55/28/1053265528.db2.gz NYFFSLAQKSLLKA-MEBBXXQBSA-N 1 1 335.341 4.072 20 10 EICDMO C[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1cccc(C(F)(F)F)c1O ZINC000850525510 1053284971 /nfs/dbraw/zinc/28/49/71/1053284971.db2.gz JWAVIYZCFQSSOP-HNHYXYPQSA-N 1 1 337.341 4.240 20 10 EICDMO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1O ZINC000775649556 1053378183 /nfs/dbraw/zinc/37/81/83/1053378183.db2.gz LGDMFELDSCRJIS-KRWDZBQOSA-N 1 1 335.806 4.067 20 10 EICDMO Cc1cc(Cl)cc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1O ZINC000775649556 1053378192 /nfs/dbraw/zinc/37/81/92/1053378192.db2.gz LGDMFELDSCRJIS-KRWDZBQOSA-N 1 1 335.806 4.067 20 10 EICDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2cccc(Cl)c2[O-])C2CC2)cc1 ZINC000775651502 1053396826 /nfs/dbraw/zinc/39/68/26/1053396826.db2.gz PFORRAVPMZNYKG-UHFFFAOYSA-N 1 1 332.787 4.118 20 10 EICDMO CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001195423024 1053412731 /nfs/dbraw/zinc/41/27/31/1053412731.db2.gz BTGBCVRMOVOBTP-CTNGQTDRSA-N 1 1 342.527 4.171 20 10 EICDMO C[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)Cc1ccccc1O ZINC000109771555 1053423291 /nfs/dbraw/zinc/42/32/91/1053423291.db2.gz WMLVSMLYSXLOGD-UHFFFAOYSA-N 1 1 346.430 4.130 20 10 EICDMO C[N@@H+](CC(=O)Nc1ccccc1-c1ccccc1)Cc1ccccc1O ZINC000109771555 1053423300 /nfs/dbraw/zinc/42/33/00/1053423300.db2.gz WMLVSMLYSXLOGD-UHFFFAOYSA-N 1 1 346.430 4.130 20 10 EICDMO CCC[N@@H+](Cc1c(C2CC2)nc2sccn12)Cc1ccccc1O ZINC000775667243 1053451576 /nfs/dbraw/zinc/45/15/76/1053451576.db2.gz GLRDGELFSHSGQR-UHFFFAOYSA-N 1 1 341.480 4.391 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cnc2ccccc2n1 ZINC000851717320 1053507303 /nfs/dbraw/zinc/50/73/03/1053507303.db2.gz WQBULJIHRUYFPD-UHFFFAOYSA-N 1 1 346.478 4.252 20 10 EICDMO CC[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)[C@@H](CC)CO1 ZINC001195862489 1053508412 /nfs/dbraw/zinc/50/84/12/1053508412.db2.gz MCNAKODYHJMAGU-VQTJNVASSA-N 1 1 330.516 4.375 20 10 EICDMO C[C@H]([NH2+]Cc1ccc(CO)cc1)c1cc(Cl)c(Cl)cc1O ZINC000842892234 1053583017 /nfs/dbraw/zinc/58/30/17/1053583017.db2.gz ABMDWRJVFLMUQH-JTQLQIEISA-N 1 1 326.223 4.042 20 10 EICDMO CCOc1ccc(O)c(C[N@H+](C)Cc2nc3ccccc3s2)c1 ZINC000120801781 1053620535 /nfs/dbraw/zinc/62/05/35/1053620535.db2.gz YRROPSCMUMUULT-UHFFFAOYSA-N 1 1 328.437 4.033 20 10 EICDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2nc3ccccc3s2)c1 ZINC000120801781 1053620551 /nfs/dbraw/zinc/62/05/51/1053620551.db2.gz YRROPSCMUMUULT-UHFFFAOYSA-N 1 1 328.437 4.033 20 10 EICDMO COc1ccc(O)c(C[N@H+]2CCS[C@H](C)[C@@H]2c2ccccc2)c1 ZINC000775710458 1053642942 /nfs/dbraw/zinc/64/29/42/1053642942.db2.gz KVLHUHDQWZXUDL-AUUYWEPGSA-N 1 1 329.465 4.079 20 10 EICDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c1O ZINC000775720572 1053694896 /nfs/dbraw/zinc/69/48/96/1053694896.db2.gz MHUJGFMPHFESHV-KRWDZBQOSA-N 1 1 345.870 4.393 20 10 EICDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000775726099 1053696080 /nfs/dbraw/zinc/69/60/80/1053696080.db2.gz WHEIXEBFNJMTPM-SFHVURJKSA-N 1 1 343.467 4.171 20 10 EICDMO C/C=C/C[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC001196614398 1053712930 /nfs/dbraw/zinc/71/29/30/1053712930.db2.gz OFQVVEBDNHXIBR-GNAXCBTBSA-N 1 1 342.527 4.480 20 10 EICDMO C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1cc(Cl)c(Cl)cc1O ZINC000866632871 1053811777 /nfs/dbraw/zinc/81/17/77/1053811777.db2.gz CZBHDOQXGJURQO-RNCFNFMXSA-N 1 1 326.227 4.081 20 10 EICDMO CC[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc(F)cc1O ZINC000796724034 1053839841 /nfs/dbraw/zinc/83/98/41/1053839841.db2.gz HWBAUIJEGQTWBI-SXLOBPIMSA-N 1 1 329.415 4.492 20 10 EICDMO Cc1cc[nH+]c(N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)c1 ZINC000776773253 1053866432 /nfs/dbraw/zinc/86/64/32/1053866432.db2.gz VYBATVFDWWITME-AWEZNQCLSA-N 1 1 331.847 4.053 20 10 EICDMO CN(c1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1)C1CCCCC1 ZINC000857851132 1054371676 /nfs/dbraw/zinc/37/16/76/1054371676.db2.gz IDFHPZMNUYUPJP-HXUWFJFHSA-N 1 1 338.499 4.346 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)cc1 ZINC001203937471 1054426368 /nfs/dbraw/zinc/42/63/68/1054426368.db2.gz RJNKNQRZDDVOEH-IBGZPJMESA-N 1 1 330.472 4.258 20 10 EICDMO C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1cccc(F)c1F ZINC000858154220 1054427447 /nfs/dbraw/zinc/42/74/47/1054427447.db2.gz AQIDHGPDGBFVEV-SNVBAGLBSA-N 1 1 326.337 4.160 20 10 EICDMO Cc1cnc(C[N@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)nc1 ZINC000776004490 1054438487 /nfs/dbraw/zinc/43/84/87/1054438487.db2.gz POYLNLGMXNLMSC-KRWDZBQOSA-N 1 1 333.435 4.254 20 10 EICDMO Cc1cnc(C[N@@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)nc1 ZINC000776004490 1054438495 /nfs/dbraw/zinc/43/84/95/1054438495.db2.gz POYLNLGMXNLMSC-KRWDZBQOSA-N 1 1 333.435 4.254 20 10 EICDMO COc1cc(C[N@@H+](C)Cc2cnccc2C)c(O)c(C(C)(C)C)c1 ZINC000825749255 1054723636 /nfs/dbraw/zinc/72/36/36/1054723636.db2.gz POUYCPZLOWXHIJ-UHFFFAOYSA-N 1 1 328.456 4.034 20 10 EICDMO C[N@H+](C/C(Br)=C/c1ccccc1)Cc1ccccc1O ZINC001201461268 1054806038 /nfs/dbraw/zinc/80/60/38/1054806038.db2.gz YNMULSZPECKVIA-WJDWOHSUSA-N 1 1 332.241 4.260 20 10 EICDMO C[N@@H+](C/C(Br)=C/c1ccccc1)Cc1ccccc1O ZINC001201461268 1054806043 /nfs/dbraw/zinc/80/60/43/1054806043.db2.gz YNMULSZPECKVIA-WJDWOHSUSA-N 1 1 332.241 4.260 20 10 EICDMO CC(C)Nc1ccc(Nc2cccc(F)c2N2CC[NH+](C)CC2)cc1 ZINC001201506392 1054824027 /nfs/dbraw/zinc/82/40/27/1054824027.db2.gz XUAYSUYIHDYMLE-UHFFFAOYSA-N 1 1 342.462 4.141 20 10 EICDMO Cc1ccc([C@H](C)[N@@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000876571682 1054931605 /nfs/dbraw/zinc/93/16/05/1054931605.db2.gz CNQZAKZMDUXETD-SFHVURJKSA-N 1 1 338.495 4.149 20 10 EICDMO COc1cc(C[N@H+]2CCC[C@@H]2c2ccncc2)c(O)c(C(C)(C)C)c1 ZINC000825903436 1054958945 /nfs/dbraw/zinc/95/89/45/1054958945.db2.gz HHJKUTQFUDIDKT-LJQANCHMSA-N 1 1 340.467 4.430 20 10 EICDMO Cc1nc(C)c(C[NH2+]Cc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)o1 ZINC000862354260 1055053189 /nfs/dbraw/zinc/05/31/89/1055053189.db2.gz QCVAMBXPCFHHAK-CYBMUJFWSA-N 1 1 347.890 4.471 20 10 EICDMO CC[C@H](c1ccncc1)[N@H+](C)Cc1c(O)cccc1Br ZINC000862368214 1055056239 /nfs/dbraw/zinc/05/62/39/1055056239.db2.gz FDUUPJXMGLSGHB-OAHLLOKOSA-N 1 1 335.245 4.133 20 10 EICDMO CC[C@H](c1ccncc1)[N@@H+](C)Cc1c(O)cccc1Br ZINC000862368214 1055056251 /nfs/dbraw/zinc/05/62/51/1055056251.db2.gz FDUUPJXMGLSGHB-OAHLLOKOSA-N 1 1 335.245 4.133 20 10 EICDMO Cc1nc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)cs1 ZINC000126544862 1055061418 /nfs/dbraw/zinc/06/14/18/1055061418.db2.gz SHEBGSXORWIFNO-CYBMUJFWSA-N 1 1 333.476 4.432 20 10 EICDMO Oc1c(F)cc(F)cc1C[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC001202380645 1055158255 /nfs/dbraw/zinc/15/82/55/1055158255.db2.gz FRISOWJUQZXACV-UHFFFAOYSA-N 1 1 334.341 4.013 20 10 EICDMO CC(C)[N@@H+]1CCC[C@H](CN[C@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000765784608 1055303313 /nfs/dbraw/zinc/30/33/13/1055303313.db2.gz SJEQBRPAXWJYBT-WOJBJXKFSA-N 1 1 343.559 4.448 20 10 EICDMO CC(C)[N@H+]1CCC[C@H](CN[C@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000765784608 1055303333 /nfs/dbraw/zinc/30/33/33/1055303333.db2.gz SJEQBRPAXWJYBT-WOJBJXKFSA-N 1 1 343.559 4.448 20 10 EICDMO C[C@@H]([NH2+]Cc1noc2c1CC(C)(C)CC2)c1ccc(N(C)C)cc1 ZINC000878454794 1055314708 /nfs/dbraw/zinc/31/47/08/1055314708.db2.gz IOEYYOMCLYWWAQ-CQSZACIVSA-N 1 1 327.472 4.106 20 10 EICDMO C[C@H]([NH2+]Cc1cccs1)c1cc(Br)c(F)cc1O ZINC000756374409 1056815137 /nfs/dbraw/zinc/81/51/37/1056815137.db2.gz ZJUAVSNSDDEZTJ-QMMMGPOBSA-N 1 1 330.222 4.206 20 10 EICDMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)[C@H](C)CO1 ZINC000742167991 1058528139 /nfs/dbraw/zinc/52/81/39/1058528139.db2.gz JBGAQWJYQCMHNI-ZHRRBRCNSA-N 1 1 348.446 4.211 20 10 EICDMO Clc1ccc2c(c1Cl)OC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000742383102 1058585902 /nfs/dbraw/zinc/58/59/02/1058585902.db2.gz JMHJDMJVXCIFKQ-CQSZACIVSA-N 1 1 336.218 4.152 20 10 EICDMO CCOc1ccc(C[NH2+][C@H](C)c2nc(C3CCCCC3)no2)c(O)c1 ZINC000742710077 1058719212 /nfs/dbraw/zinc/71/92/12/1058719212.db2.gz GTEBGMIMDBTELF-CYBMUJFWSA-N 1 1 345.443 4.072 20 10 EICDMO C[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000379640266 1059704875 /nfs/dbraw/zinc/70/48/75/1059704875.db2.gz BNPDNRQLUQFZLV-HOTGVXAUSA-N 1 1 330.447 4.093 20 10 EICDMO C[C@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1ccc(Cl)cc1O ZINC000841757668 1032515190 /nfs/dbraw/zinc/51/51/90/1032515190.db2.gz OQXHFTYXMUYHJM-AAEUAGOBSA-N 1 1 340.250 4.126 20 10 EICDMO C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)c1ncc[nH]1 ZINC000287698006 1019920403 /nfs/dbraw/zinc/92/04/03/1019920403.db2.gz WZUGARCHJVQWBT-KBPBESRZSA-N 1 1 332.879 4.150 20 10 EICDMO Cc1ccc([C@@H](C)[NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)c(O)c1 ZINC000363856765 1022860191 /nfs/dbraw/zinc/86/01/91/1022860191.db2.gz BSSWIQBKFFSWNZ-VLIAUNLRSA-N 1 1 339.414 4.013 20 10 EICDMO COc1ccc(C[N@@H+](C)Cc2ccccc2O)c(C(F)(F)F)c1 ZINC001143484814 1023338116 /nfs/dbraw/zinc/33/81/16/1023338116.db2.gz SBHDQGSAZRHYOD-UHFFFAOYSA-N 1 1 325.330 4.052 20 10 EICDMO Oc1cccc(Br)c1C[N@H+]1CCCc2ccccc2C1 ZINC000707144170 1023490396 /nfs/dbraw/zinc/49/03/96/1023490396.db2.gz ZPBWAEIZGMHPTN-UHFFFAOYSA-N 1 1 332.241 4.103 20 10 EICDMO CCOC(=O)C[N@H+](Cc1ccc(N2CCCCC2)c(C)c1)C(C)(C)C ZINC001167759587 1023732830 /nfs/dbraw/zinc/73/28/30/1023732830.db2.gz IFVGZZTWUZTFSY-UHFFFAOYSA-N 1 1 346.515 4.149 20 10 EICDMO CCOC(=O)C[N@@H+](Cc1ccc(N2CCCCC2)c(C)c1)C(C)(C)C ZINC001167759587 1023732844 /nfs/dbraw/zinc/73/28/44/1023732844.db2.gz IFVGZZTWUZTFSY-UHFFFAOYSA-N 1 1 346.515 4.149 20 10 EICDMO C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1cc(Cl)c(Cl)cc1O ZINC000278844214 1024058280 /nfs/dbraw/zinc/05/82/80/1024058280.db2.gz VAPMBMMVDUDWOJ-RFAUZJTJSA-N 1 1 344.213 4.222 20 10 EICDMO Cc1ccc(O)c(C[NH2+][C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1 ZINC000276796693 1024284829 /nfs/dbraw/zinc/28/48/29/1024284829.db2.gz URDZIWCEBWYRFV-ZDUSSCGKSA-N 1 1 341.386 4.049 20 10 EICDMO COc1cc(C[N@@H+](C)Cc2ccccc2O)cc(C(F)(F)F)c1 ZINC001143519224 1024666711 /nfs/dbraw/zinc/66/67/11/1024666711.db2.gz JEZSRWJOUJPKBI-UHFFFAOYSA-N 1 1 325.330 4.052 20 10 EICDMO Cc1ncoc1C[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000894666116 1026305577 /nfs/dbraw/zinc/30/55/77/1026305577.db2.gz RWOWMWOYBKMZFO-ZDUSSCGKSA-N 1 1 333.863 4.163 20 10 EICDMO C[C@H]([NH2+]Cc1csc(C(F)(F)F)n1)c1ccc(N(C)C)cc1 ZINC000893683539 1026335761 /nfs/dbraw/zinc/33/57/61/1026335761.db2.gz JGWAZTDQAIRCEG-JTQLQIEISA-N 1 1 329.391 4.079 20 10 EICDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3ccccc3Cl)C1)CCC2 ZINC000728905122 1026395172 /nfs/dbraw/zinc/39/51/72/1026395172.db2.gz ZGGYOMIANHMADI-FQEVSTJZSA-N 1 1 343.854 4.108 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CCO[C@H](c3ccccc3Cl)C1)CCC2 ZINC000728905122 1026395187 /nfs/dbraw/zinc/39/51/87/1026395187.db2.gz ZGGYOMIANHMADI-FQEVSTJZSA-N 1 1 343.854 4.108 20 10 EICDMO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1nc(C(F)(F)F)cs1 ZINC000279432392 1026425638 /nfs/dbraw/zinc/42/56/38/1026425638.db2.gz GSSFLEUBEGTEKU-HTQZYQBOSA-N 1 1 334.338 4.418 20 10 EICDMO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896226180 1027346462 /nfs/dbraw/zinc/34/64/62/1027346462.db2.gz CWBKXRSEJIOKBI-LBPRGKRZSA-N 1 1 341.707 4.051 20 10 EICDMO C[C@@H]([NH2+]Cc1sccc1Br)c1ccc(F)cc1O ZINC000148037420 1027839827 /nfs/dbraw/zinc/83/98/27/1027839827.db2.gz CHHZHRBZAHOZEY-MRVPVSSYSA-N 1 1 330.222 4.206 20 10 EICDMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1ccc(Br)cn1 ZINC000281308209 1028499762 /nfs/dbraw/zinc/49/97/62/1028499762.db2.gz YZXVKGXWBWJLRI-NXEZZACHSA-N 1 1 339.208 4.101 20 10 EICDMO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1cc(Cl)c(Cl)cc1O ZINC000278730738 1029741276 /nfs/dbraw/zinc/74/12/76/1029741276.db2.gz MQKIYLMPJAFMRH-BMIGLBTASA-N 1 1 326.223 4.083 20 10 EICDMO Oc1ccc2ccccc2c1C[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000184880748 1030100709 /nfs/dbraw/zinc/10/07/09/1030100709.db2.gz OLIRTQSDVVECLP-INIZCTEOSA-N 1 1 342.489 4.292 20 10 EICDMO Oc1ccc2ccccc2c1C[N@H+]1CCSC[C@H]1c1nccs1 ZINC000184880748 1030100719 /nfs/dbraw/zinc/10/07/19/1030100719.db2.gz OLIRTQSDVVECLP-INIZCTEOSA-N 1 1 342.489 4.292 20 10 EICDMO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1cc(Cl)ccc1O ZINC000186060940 1030243247 /nfs/dbraw/zinc/24/32/47/1030243247.db2.gz APFKHZQSRRIYQG-CYBMUJFWSA-N 1 1 339.826 4.353 20 10 EICDMO C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1O)c1nc(-c2ccccc2)no1 ZINC000186192388 1030257431 /nfs/dbraw/zinc/25/74/31/1030257431.db2.gz GDVPMDZJIVREGU-CHWSQXEVSA-N 1 1 341.386 4.036 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c1O ZINC000761193466 1036003685 /nfs/dbraw/zinc/00/36/85/1036003685.db2.gz FHLZDFRRVYWWON-CYBMUJFWSA-N 1 1 335.806 4.183 20 10 EICDMO COc1ccc([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(OC)c3O)C2)cc1 ZINC000761196030 1036022465 /nfs/dbraw/zinc/02/24/65/1036022465.db2.gz SMPPGWBWPNPEEC-CQSZACIVSA-N 1 1 347.842 4.052 20 10 EICDMO C[C@@H](c1ccccc1)[N@@H+](CCC1OCCCO1)Cc1ccccc1O ZINC000272055729 1037090133 /nfs/dbraw/zinc/09/01/33/1037090133.db2.gz RFKIZQMXRAXACN-KRWDZBQOSA-N 1 1 341.451 4.109 20 10 EICDMO Oc1ccccc1C[N@@H+](CCCCC(F)(F)F)C[C@@H]1CCCO1 ZINC000157230622 1037249679 /nfs/dbraw/zinc/24/96/79/1037249679.db2.gz BJLUFXWEECBRJP-HNNXBMFYSA-N 1 1 331.378 4.106 20 10 EICDMO Cc1ccc([C@H](C)[NH2+][C@H](c2nccn2C)c2ccc(F)cc2)c(O)c1 ZINC000273401632 1037450752 /nfs/dbraw/zinc/45/07/52/1037450752.db2.gz NEKCRMYIEVBKTA-LIRRHRJNSA-N 1 1 339.414 4.013 20 10 EICDMO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(F)cc1O ZINC000273438765 1037464141 /nfs/dbraw/zinc/46/41/41/1037464141.db2.gz MMDMVFSDNGYPSB-JOKNJTHLSA-N 1 1 333.378 4.241 20 10 EICDMO C[C@H](NC1CC[NH+](C2CCCCC2)CC1)c1ccc(N(C)C)cc1 ZINC000157523044 1037637906 /nfs/dbraw/zinc/63/79/06/1037637906.db2.gz XDRYLHGORHUOES-KRWDZBQOSA-N 1 1 329.532 4.200 20 10 EICDMO COc1cccc(-c2nc(C[N@H+](C)Cc3ccccc3O)cs2)c1 ZINC000171936771 1037777357 /nfs/dbraw/zinc/77/73/57/1037777357.db2.gz OTRCFTRLBORICQ-UHFFFAOYSA-N 1 1 340.448 4.156 20 10 EICDMO COc1cccc(-c2nc(C[N@@H+](C)Cc3ccccc3O)cs2)c1 ZINC000171936771 1037777385 /nfs/dbraw/zinc/77/73/85/1037777385.db2.gz OTRCFTRLBORICQ-UHFFFAOYSA-N 1 1 340.448 4.156 20 10 EICDMO Cc1nc(CC[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cs1 ZINC000163559474 1040537762 /nfs/dbraw/zinc/53/77/62/1040537762.db2.gz ZUNCKPNJWFCOQV-UHFFFAOYSA-N 1 1 329.513 4.116 20 10 EICDMO CCN(CC)c1ccc(C[NH2+]C(C)(C)c2nc(C)cs2)cc1F ZINC000152272501 1042751498 /nfs/dbraw/zinc/75/14/98/1042751498.db2.gz VIOSBHXBNYCYPY-UHFFFAOYSA-N 1 1 335.492 4.462 20 10 EICDMO C[C@H](Cc1cccc(F)c1)[NH2+]Cc1cc(Cl)c2cccnc2c1O ZINC001168458920 1042890910 /nfs/dbraw/zinc/89/09/10/1042890910.db2.gz JQFBDCDDMXBRII-GFCCVEGCSA-N 1 1 344.817 4.454 20 10 EICDMO COc1ccc(C[NH2+][C@@H](CN2CCCCC2)c2ccccc2)cc1C ZINC000727837917 1043311431 /nfs/dbraw/zinc/31/14/31/1043311431.db2.gz YLMIBQBMCWCZPT-NRFANRHFSA-N 1 1 338.495 4.320 20 10 EICDMO CCC[N@@H+](Cc1nc(-c2ccc(C)cc2)no1)Cc1ccccc1O ZINC000727831102 1043312901 /nfs/dbraw/zinc/31/29/01/1043312901.db2.gz IKIPIAGHZHPHSK-UHFFFAOYSA-N 1 1 337.423 4.163 20 10 EICDMO C[N@@H+](CCC(=O)c1ccccc1)Cc1cccc(C(C)(C)C)c1O ZINC001143110545 1043408769 /nfs/dbraw/zinc/40/87/69/1043408769.db2.gz ISFZAOZAHBGQTJ-UHFFFAOYSA-N 1 1 325.452 4.395 20 10 EICDMO Cc1cc(C[N@H+]2CC[C@H](N3CCCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000730807703 1043625881 /nfs/dbraw/zinc/62/58/81/1043625881.db2.gz WNNQTFBJUKHFPK-SFHVURJKSA-N 1 1 330.516 4.058 20 10 EICDMO Cc1cc(CN2CC[C@H]([NH+]3CCCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000730807703 1043625897 /nfs/dbraw/zinc/62/58/97/1043625897.db2.gz WNNQTFBJUKHFPK-SFHVURJKSA-N 1 1 330.516 4.058 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1)CCC2 ZINC000732980090 1044061241 /nfs/dbraw/zinc/06/12/41/1044061241.db2.gz HBTQDDWIRRXKGB-IBGZPJMESA-N 1 1 329.390 4.496 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1noc(-c2ccccc2)n1)C1CCCC1 ZINC000733613608 1044270334 /nfs/dbraw/zinc/27/03/34/1044270334.db2.gz DJNCOYVUEAUVKQ-UHFFFAOYSA-N 1 1 349.434 4.387 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1noc(-c2ccccc2)n1)C1CCCC1 ZINC000733613608 1044270353 /nfs/dbraw/zinc/27/03/53/1044270353.db2.gz DJNCOYVUEAUVKQ-UHFFFAOYSA-N 1 1 349.434 4.387 20 10 EICDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2O)CCC3)c1 ZINC000735485391 1044825206 /nfs/dbraw/zinc/82/52/06/1044825206.db2.gz PAIPKKCXTGANHU-NRFANRHFSA-N 1 1 336.479 4.284 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+][C@H](c2ccccn2)C2CC2)c1 ZINC000922584456 1044832744 /nfs/dbraw/zinc/83/27/44/1044832744.db2.gz KZNVJQPGZWGLTB-INIZCTEOSA-N 1 1 347.256 4.099 20 10 EICDMO Cc1cc(Br)cc(C[N@H+](C)C2CCC(F)(F)CC2)c1O ZINC000711086048 1044838370 /nfs/dbraw/zinc/83/83/70/1044838370.db2.gz JDUGSSDSMGUEDN-UHFFFAOYSA-N 1 1 348.231 4.473 20 10 EICDMO CC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1cc(F)ccc1OC ZINC000922618402 1044851887 /nfs/dbraw/zinc/85/18/87/1044851887.db2.gz MFJBWAVWBQTXAK-HNNXBMFYSA-N 1 1 325.330 4.059 20 10 EICDMO Cc1cc(O)c(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1C ZINC000738107826 1045040708 /nfs/dbraw/zinc/04/07/08/1045040708.db2.gz OQKFPQSDIKYFEG-OALUTQOASA-N 1 1 330.516 4.095 20 10 EICDMO Cc1cc(O)c(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1C ZINC000738107826 1045040716 /nfs/dbraw/zinc/04/07/16/1045040716.db2.gz OQKFPQSDIKYFEG-OALUTQOASA-N 1 1 330.516 4.095 20 10 EICDMO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)CCO2 ZINC000186699501 1045138633 /nfs/dbraw/zinc/13/86/33/1045138633.db2.gz FVRKTMFRACKSFH-PXAZEXFGSA-N 1 1 331.387 4.104 20 10 EICDMO Cc1ccccc1CN1CCC[N@@H+](Cc2cc(C)c(C)cc2O)CC1 ZINC000915208676 1045186713 /nfs/dbraw/zinc/18/67/13/1045186713.db2.gz QZWQZNQAHYKWDY-UHFFFAOYSA-N 1 1 338.495 4.025 20 10 EICDMO Cc1ccccc1C[N@@H+]1CCCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000915208676 1045186725 /nfs/dbraw/zinc/18/67/25/1045186725.db2.gz QZWQZNQAHYKWDY-UHFFFAOYSA-N 1 1 338.495 4.025 20 10 EICDMO Cc1ccccc1C[N@H+]1CCCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000915208676 1045186727 /nfs/dbraw/zinc/18/67/27/1045186727.db2.gz QZWQZNQAHYKWDY-UHFFFAOYSA-N 1 1 338.495 4.025 20 10 EICDMO Fc1cc(C[N@H+]2CCC[C@H]2c2ccsc2)ccc1N1CCOCC1 ZINC000153546756 1045240614 /nfs/dbraw/zinc/24/06/14/1045240614.db2.gz XKPKZINURUAPRU-SFHVURJKSA-N 1 1 346.471 4.061 20 10 EICDMO CCCN(CCC)c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000915682839 1045446695 /nfs/dbraw/zinc/44/66/95/1045446695.db2.gz SAVUBUVMSYZVMF-CTNGQTDRSA-N 1 1 329.532 4.029 20 10 EICDMO CCCN(CCC)c1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000915682839 1045446701 /nfs/dbraw/zinc/44/67/01/1045446701.db2.gz SAVUBUVMSYZVMF-CTNGQTDRSA-N 1 1 329.532 4.029 20 10 EICDMO Cc1cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)n1-c1cccc(C)c1 ZINC000915683210 1045448106 /nfs/dbraw/zinc/44/81/06/1045448106.db2.gz PDZIYIFKXAZKBO-NHCUHLMSSA-N 1 1 337.511 4.119 20 10 EICDMO Cc1cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)n1-c1cccc(C)c1 ZINC000915683210 1045448107 /nfs/dbraw/zinc/44/81/07/1045448107.db2.gz PDZIYIFKXAZKBO-NHCUHLMSSA-N 1 1 337.511 4.119 20 10 EICDMO CC(C)(C)c1csc(CC[NH2+]Cc2c(O)ccc(Cl)c2F)n1 ZINC000790958744 1045638167 /nfs/dbraw/zinc/63/81/67/1045638167.db2.gz AWBOSWZFQALMJR-UHFFFAOYSA-N 1 1 342.867 4.271 20 10 EICDMO CCC(CC)[C@@H]1C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000790991590 1045648925 /nfs/dbraw/zinc/64/89/25/1045648925.db2.gz XWCQMNJLZDLHFS-WBMJQRKESA-N 1 1 329.843 4.258 20 10 EICDMO Cc1ccc(OC(F)F)c(C[NH2+]Cc2c(O)ccc(Cl)c2F)c1 ZINC000790976636 1045659440 /nfs/dbraw/zinc/65/94/40/1045659440.db2.gz JUZJRSPWQGWXLU-UHFFFAOYSA-N 1 1 345.748 4.384 20 10 EICDMO CCCCCn1cc(C[NH2+]Cc2c(O)ccc(Cl)c2F)c(C)n1 ZINC000790981479 1045666798 /nfs/dbraw/zinc/66/67/98/1045666798.db2.gz MHTOPAWDIAXXFZ-UHFFFAOYSA-N 1 1 339.842 4.170 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1ccco1)Cc1cc(F)cc(F)c1 ZINC000768130078 1045722609 /nfs/dbraw/zinc/72/26/09/1045722609.db2.gz MQJUZJBFCPDJDL-UHFFFAOYSA-N 1 1 329.346 4.466 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1ccco1)Cc1cc(F)cc(F)c1 ZINC000768130078 1045722619 /nfs/dbraw/zinc/72/26/19/1045722619.db2.gz MQJUZJBFCPDJDL-UHFFFAOYSA-N 1 1 329.346 4.466 20 10 EICDMO CC[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)Cc1ccc(N(C)C)cc1 ZINC000768134090 1045723931 /nfs/dbraw/zinc/72/39/31/1045723931.db2.gz PCVXYNGVFVCDGR-UHFFFAOYSA-N 1 1 334.467 4.165 20 10 EICDMO CC[N@H+](Cc1c[nH]c(-c2ccccc2)n1)Cc1ccc(N(C)C)cc1 ZINC000768134090 1045723944 /nfs/dbraw/zinc/72/39/44/1045723944.db2.gz PCVXYNGVFVCDGR-UHFFFAOYSA-N 1 1 334.467 4.165 20 10 EICDMO CC[N@@H+](Cc1c[nH]c(-c2ccccc2)n1)Cc1ccc(N(C)C)cc1 ZINC000768134090 1045723955 /nfs/dbraw/zinc/72/39/55/1045723955.db2.gz PCVXYNGVFVCDGR-UHFFFAOYSA-N 1 1 334.467 4.165 20 10 EICDMO CCc1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000768162609 1045729424 /nfs/dbraw/zinc/72/94/24/1045729424.db2.gz RXGJMFRNLQVCMB-INIZCTEOSA-N 1 1 331.481 4.197 20 10 EICDMO Cc1ccc(C[N@H+](C)Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)o1 ZINC000768168576 1045733644 /nfs/dbraw/zinc/73/36/44/1045733644.db2.gz KBNZYLUTZBAOLV-UHFFFAOYSA-N 1 1 343.427 4.119 20 10 EICDMO Cc1ccc(C[N@@H+](C)Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)o1 ZINC000768168576 1045733629 /nfs/dbraw/zinc/73/36/29/1045733629.db2.gz KBNZYLUTZBAOLV-UHFFFAOYSA-N 1 1 343.427 4.119 20 10 EICDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(C)c(C)cc1O ZINC000768203506 1045738968 /nfs/dbraw/zinc/73/89/68/1045738968.db2.gz JLRLVSMJEBRNMD-UHFFFAOYSA-N 1 1 329.440 4.048 20 10 EICDMO C/C(=C/c1ccccc1)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000768207318 1045742410 /nfs/dbraw/zinc/74/24/10/1045742410.db2.gz CHLYDLWMIGZQHP-MNDPQUGUSA-N 1 1 336.479 4.059 20 10 EICDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2cc(Cl)ccc2OC)c1 ZINC000768205427 1045743509 /nfs/dbraw/zinc/74/35/09/1045743509.db2.gz FDYLGHUOVVEHGK-UHFFFAOYSA-N 1 1 335.831 4.085 20 10 EICDMO COc1cccc(O)c1C[N@@H+]1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000768250458 1045764037 /nfs/dbraw/zinc/76/40/37/1045764037.db2.gz RIIBNMINJIVNIM-UHFFFAOYSA-N 1 1 348.446 4.480 20 10 EICDMO COc1cccc(C[N@@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)c1O ZINC000768256335 1045767364 /nfs/dbraw/zinc/76/73/64/1045767364.db2.gz CLKZQTJGTWZLSV-CXAGYDPISA-N 1 1 327.424 4.282 20 10 EICDMO C[C@H]1C[C@H]1c1ccc(C[N@@H+](Cc2cc3c(cc2O)OCO3)C2CC2)o1 ZINC000768258142 1045769953 /nfs/dbraw/zinc/76/99/53/1045769953.db2.gz QQPLYMUIUSWUSV-BLLLJJGKSA-N 1 1 341.407 4.002 20 10 EICDMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000768275190 1045776202 /nfs/dbraw/zinc/77/62/02/1045776202.db2.gz BDVHGOFMGCLPRV-WDEREUQCSA-N 1 1 337.414 4.342 20 10 EICDMO CC(C)[N@@H+](Cc1ccc(F)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000768330538 1045790944 /nfs/dbraw/zinc/79/09/44/1045790944.db2.gz VHJCDFLFSZTTHP-UHFFFAOYSA-N 1 1 342.458 4.073 20 10 EICDMO CC(C)[N@@H+](Cc1nn(C)c2ccccc12)Cc1ccc(N(C)C)cc1 ZINC000768350393 1045795766 /nfs/dbraw/zinc/79/57/66/1045795766.db2.gz FIOSTKJKMNOLNQ-UHFFFAOYSA-N 1 1 336.483 4.050 20 10 EICDMO COc1cc(O)c(C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)cc1OC ZINC000768443763 1045807786 /nfs/dbraw/zinc/80/77/86/1045807786.db2.gz UAJZRSFHTYLJFT-UHFFFAOYSA-N 1 1 347.842 4.227 20 10 EICDMO C[C@H](c1cccs1)[N@@H+](C)Cc1cc(Br)ccc1O ZINC000768416420 1045808868 /nfs/dbraw/zinc/80/88/68/1045808868.db2.gz FNVDPIRBVKJMGL-SNVBAGLBSA-N 1 1 326.259 4.409 20 10 EICDMO CCOc1ccc(C[N@@H+](CC)[C@@H](C)c2cccc(OC)c2)c(O)c1 ZINC000768519692 1045814013 /nfs/dbraw/zinc/81/40/13/1045814013.db2.gz BNKIXQSCMSIJKS-HNNXBMFYSA-N 1 1 329.440 4.383 20 10 EICDMO CCOc1ccc(O)c(C[N@@H+](CCOC)[C@H](C)c2ccccc2)c1 ZINC000768598445 1045825462 /nfs/dbraw/zinc/82/54/62/1045825462.db2.gz YWTMKCUJDIZLDG-MRXNPFEDSA-N 1 1 329.440 4.001 20 10 EICDMO COc1cccc(C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1O ZINC000768779811 1045840823 /nfs/dbraw/zinc/84/08/23/1045840823.db2.gz WYMMXWPZUZWKOK-MRXNPFEDSA-N 1 1 336.435 4.262 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000768889799 1045854707 /nfs/dbraw/zinc/85/47/07/1045854707.db2.gz CAXPQBIKIRQKHD-GOSISDBHSA-N 1 1 333.435 4.162 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@H](N2CCCC2)C1 ZINC000768900783 1045855660 /nfs/dbraw/zinc/85/56/60/1045855660.db2.gz IMBGZADGCALHFW-NRFANRHFSA-N 1 1 336.479 4.119 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](N2CCCC2)C1 ZINC000768900783 1045855657 /nfs/dbraw/zinc/85/56/57/1045855657.db2.gz IMBGZADGCALHFW-NRFANRHFSA-N 1 1 336.479 4.119 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)cc1C ZINC000768918024 1045860405 /nfs/dbraw/zinc/86/04/05/1045860405.db2.gz FMXOYLRLZFYQKG-IBGZPJMESA-N 1 1 335.451 4.233 20 10 EICDMO CCOc1cccc(C[N@H+]2CCC[C@@H]2Cc2cccc(OC)c2)c1O ZINC000768937519 1045862547 /nfs/dbraw/zinc/86/25/47/1045862547.db2.gz ULLYSMYYLQRHGP-GOSISDBHSA-N 1 1 341.451 4.007 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000792157679 1045867378 /nfs/dbraw/zinc/86/73/78/1045867378.db2.gz ZOKKCQVLKUNJHP-UHFFFAOYSA-N 1 1 349.833 4.366 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1 ZINC000792191355 1045876252 /nfs/dbraw/zinc/87/62/52/1045876252.db2.gz YXODXOKOYHHVDM-OAHLLOKOSA-N 1 1 331.378 4.201 20 10 EICDMO CCC[N@@H+](Cc1cnc2ccc(Cl)cn12)Cc1ccccc1O ZINC000769201806 1045893115 /nfs/dbraw/zinc/89/31/15/1045893115.db2.gz ZWHOBBJRSVHBDJ-UHFFFAOYSA-N 1 1 329.831 4.106 20 10 EICDMO CCC[N@@H+](Cc1cnc(N(CC)CC)s1)Cc1ccccc1O ZINC000769201580 1045893472 /nfs/dbraw/zinc/89/34/72/1045893472.db2.gz WYVMAXSXIOQOHY-UHFFFAOYSA-N 1 1 333.501 4.107 20 10 EICDMO c1coc([C@H]2CCCCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000769425959 1045958980 /nfs/dbraw/zinc/95/89/80/1045958980.db2.gz ADQMFRCZSQRTSK-HXUWFJFHSA-N 1 1 340.467 4.234 20 10 EICDMO COc1cccc(C[N@H+]2CCSC[C@H]2c2ccc(Cl)cc2)c1O ZINC000769457871 1045981186 /nfs/dbraw/zinc/98/11/86/1045981186.db2.gz QTPBFUPKGUCUMC-INIZCTEOSA-N 1 1 349.883 4.344 20 10 EICDMO COc1cccc(C[N@@H+]2CCSC[C@H]2c2ccc(Cl)cc2)c1O ZINC000769457871 1045981179 /nfs/dbraw/zinc/98/11/79/1045981179.db2.gz QTPBFUPKGUCUMC-INIZCTEOSA-N 1 1 349.883 4.344 20 10 EICDMO CCOc1cccc(C[N@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c1O ZINC000769465681 1045981632 /nfs/dbraw/zinc/98/16/32/1045981632.db2.gz IMZJFVDKFCIUTD-WMLDXEAASA-N 1 1 329.415 4.308 20 10 EICDMO COc1cccc(C[N@H+]2CCS[C@@H](C)[C@@H]2c2ccccc2)c1O ZINC000769463699 1045983904 /nfs/dbraw/zinc/98/39/04/1045983904.db2.gz SXWSRBLDQSTJDY-KBXCAEBGSA-N 1 1 329.465 4.079 20 10 EICDMO COC1CCC([N@@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792824013 1046075007 /nfs/dbraw/zinc/07/50/07/1046075007.db2.gz WVJQTCYTLVFRRU-UHFFFAOYSA-N 1 1 344.421 4.161 20 10 EICDMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793075413 1046134379 /nfs/dbraw/zinc/13/43/79/1046134379.db2.gz COHCDSWHPJDVOP-ZDUSSCGKSA-N 1 1 337.389 4.359 20 10 EICDMO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000770325631 1046180937 /nfs/dbraw/zinc/18/09/37/1046180937.db2.gz JNLJGMYJXSWGLE-HKUYNNGSSA-N 1 1 349.833 4.273 20 10 EICDMO COc1cc(C[N@@H+](Cc2ccccc2O)C2CC2)ccc1OC(F)F ZINC000770509457 1046209848 /nfs/dbraw/zinc/20/98/48/1046209848.db2.gz MWRZDOMCSHNFQB-UHFFFAOYSA-N 1 1 349.377 4.167 20 10 EICDMO Oc1ccccc1C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000770504562 1046211017 /nfs/dbraw/zinc/21/10/17/1046211017.db2.gz JFRFJOKRALWWEK-TZIWHRDSSA-N 1 1 325.452 4.261 20 10 EICDMO Cc1cc(O)c(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)cc1C(C)C ZINC000008389941 1046234291 /nfs/dbraw/zinc/23/42/91/1046234291.db2.gz FJOAUNOMOMBXTM-UHFFFAOYSA-N 1 1 341.451 4.227 20 10 EICDMO CC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC[C@H]1c1ccccc1 ZINC000746383159 1046335871 /nfs/dbraw/zinc/33/58/71/1046335871.db2.gz QTXWBSQDYHKFSZ-CRAIPNDOSA-N 1 1 339.435 4.137 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccc2c[nH]nc2c1 ZINC000771935124 1046527929 /nfs/dbraw/zinc/52/79/29/1046527929.db2.gz IYYGWYADALAGOO-UHFFFAOYSA-N 1 1 334.467 4.185 20 10 EICDMO COc1ccsc1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000771935151 1046530137 /nfs/dbraw/zinc/53/01/37/1046530137.db2.gz KYKJSOXIAWHYGP-UHFFFAOYSA-N 1 1 330.497 4.379 20 10 EICDMO Cc1nc2ccccc2nc1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917074293 1046634019 /nfs/dbraw/zinc/63/40/19/1046634019.db2.gz WDSPRNUCCFERKM-UHFFFAOYSA-N 1 1 346.478 4.169 20 10 EICDMO C[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1c(O)ccc2ccccc21 ZINC000917480771 1046903041 /nfs/dbraw/zinc/90/30/41/1046903041.db2.gz MFDIZPWYFNSOCX-UHFFFAOYSA-N 1 1 343.430 4.363 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccccc1Cl)OCO2 ZINC000917482716 1046905441 /nfs/dbraw/zinc/90/54/41/1046905441.db2.gz LCDLHILRDCCHTD-HNNXBMFYSA-N 1 1 331.799 4.111 20 10 EICDMO CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139954 1047134548 /nfs/dbraw/zinc/13/45/48/1047134548.db2.gz STOOYISFODZOOW-XHDPSFHLSA-N 1 1 331.287 4.082 20 10 EICDMO CCN(C)c1ccc([C@@H](C)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000806172495 1047157518 /nfs/dbraw/zinc/15/75/18/1047157518.db2.gz NENUJVPLMXZOBG-IERDGZPVSA-N 1 1 343.490 4.235 20 10 EICDMO CCN(C)c1ccc([C@H](C)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000806172494 1047158174 /nfs/dbraw/zinc/15/81/74/1047158174.db2.gz NENUJVPLMXZOBG-HRAATJIYSA-N 1 1 343.490 4.235 20 10 EICDMO CC[C@@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1ccc(F)cc1O ZINC000806181003 1047204692 /nfs/dbraw/zinc/20/46/92/1047204692.db2.gz VAFJMQRBPGNCGI-CXAGYDPISA-N 1 1 337.822 4.002 20 10 EICDMO CC(C)[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@@H](O)c1ccccc1 ZINC000788541351 1047218382 /nfs/dbraw/zinc/21/83/82/1047218382.db2.gz WAUXPMJETVUJRB-MSOLQXFVSA-N 1 1 337.822 4.033 20 10 EICDMO CC(C)[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@H](O)c1ccccc1 ZINC000788541354 1047218962 /nfs/dbraw/zinc/21/89/62/1047218962.db2.gz WAUXPMJETVUJRB-ZWKOTPCHSA-N 1 1 337.822 4.033 20 10 EICDMO C[C@@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1O ZINC000788615167 1047250331 /nfs/dbraw/zinc/25/03/31/1047250331.db2.gz WBIVWGWWPFGKKD-HZPDHXFCSA-N 1 1 328.431 4.099 20 10 EICDMO COc1ccc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)cc1F ZINC000788652571 1047257612 /nfs/dbraw/zinc/25/76/12/1047257612.db2.gz RNRSDHVXAAKMDP-JTQLQIEISA-N 1 1 343.320 4.410 20 10 EICDMO C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788642754 1047259091 /nfs/dbraw/zinc/25/90/91/1047259091.db2.gz DDHCLEFLGGZNHR-RKDXNWHRSA-N 1 1 345.283 4.029 20 10 EICDMO C[C@H](CCO)C1(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CCC1 ZINC000788693376 1047265687 /nfs/dbraw/zinc/26/56/87/1047265687.db2.gz SQWNKNICBLUZOF-OLZOCXBDSA-N 1 1 345.405 4.250 20 10 EICDMO C[N@@H+](Cc1c(-c2ccccc2)nc2sccn12)Cc1ccccc1O ZINC000917996887 1047266598 /nfs/dbraw/zinc/26/65/98/1047266598.db2.gz OIMSIDLKWGZDPL-UHFFFAOYSA-N 1 1 349.459 4.400 20 10 EICDMO C[C@H]([NH2+]Cc1nn(C)c2ccccc12)c1cccc(C(F)(F)F)c1O ZINC000788752444 1047286423 /nfs/dbraw/zinc/28/64/23/1047286423.db2.gz WADSEOYEEDLTGF-NSHDSACASA-N 1 1 349.356 4.149 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C1CCCC1 ZINC000789732415 1047466192 /nfs/dbraw/zinc/46/61/92/1047466192.db2.gz PPFFNJZABYYFEM-UHFFFAOYSA-N 1 1 337.423 4.320 20 10 EICDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)c(F)cc2[O-])cc1OC ZINC001142520074 1047495675 /nfs/dbraw/zinc/49/56/75/1047495675.db2.gz BGBMLFADBZXKPZ-MRXNPFEDSA-N 1 1 349.377 4.025 20 10 EICDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)c(F)cc2O)cc1OC ZINC001142520074 1047495693 /nfs/dbraw/zinc/49/56/93/1047495693.db2.gz BGBMLFADBZXKPZ-MRXNPFEDSA-N 1 1 349.377 4.025 20 10 EICDMO C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cnn(CC2CCC2)c1 ZINC000898178669 1047575205 /nfs/dbraw/zinc/57/52/05/1047575205.db2.gz DGOHYRBBJJTNOX-LLVKDONJSA-N 1 1 337.826 4.032 20 10 EICDMO CN1CCCc2cc(C[NH2+]Cc3ncc(C(C)(C)C)s3)ccc21 ZINC000790468908 1047600463 /nfs/dbraw/zinc/60/04/63/1047600463.db2.gz DARJQCSBTHMGFN-UHFFFAOYSA-N 1 1 329.513 4.113 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045426 1048024491 /nfs/dbraw/zinc/02/44/91/1048024491.db2.gz DDJVCWPQDVKNHS-LBPRGKRZSA-N 1 1 345.723 4.379 20 10 EICDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2COc3cc(F)cc(F)c32)c1O ZINC000808715372 1048060789 /nfs/dbraw/zinc/06/07/89/1048060789.db2.gz USYGNDZKOGTCGU-LKFCYVNXSA-N 1 1 339.769 4.417 20 10 EICDMO Cc1cc(O)c(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000825478424 1048096371 /nfs/dbraw/zinc/09/63/71/1048096371.db2.gz AKBVWIIBQSAIPE-LSDHHAIUSA-N 1 1 336.907 4.097 20 10 EICDMO Cc1cc([O-])c(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000825478424 1048096384 /nfs/dbraw/zinc/09/63/84/1048096384.db2.gz AKBVWIIBQSAIPE-LSDHHAIUSA-N 1 1 336.907 4.097 20 10 EICDMO Cc1cc([O-])c(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000825478424 1048096387 /nfs/dbraw/zinc/09/63/87/1048096387.db2.gz AKBVWIIBQSAIPE-LSDHHAIUSA-N 1 1 336.907 4.097 20 10 EICDMO COc1ccc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)c(F)c1F ZINC001143911399 1048297908 /nfs/dbraw/zinc/29/79/08/1048297908.db2.gz YYSLLABWYFUWIP-UHFFFAOYSA-N 1 1 346.421 4.206 20 10 EICDMO COc1ccc(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)c(F)c1F ZINC001143911399 1048297921 /nfs/dbraw/zinc/29/79/21/1048297921.db2.gz YYSLLABWYFUWIP-UHFFFAOYSA-N 1 1 346.421 4.206 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000815152865 1048350917 /nfs/dbraw/zinc/35/09/17/1048350917.db2.gz YDCBGDVFZKRPJZ-UHFFFAOYSA-N 1 1 349.711 4.215 20 10 EICDMO CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(Cl)c1[O-] ZINC000809739561 1048510774 /nfs/dbraw/zinc/51/07/74/1048510774.db2.gz OHIXHSGNYCKWRE-UHFFFAOYSA-N 1 1 332.875 4.129 20 10 EICDMO CC[N@@H+](Cc1cc(C)cc(Br)c1)Cc1ccccc1O ZINC001144222640 1048514464 /nfs/dbraw/zinc/51/44/64/1048514464.db2.gz YMAQMJWKSSFQFM-UHFFFAOYSA-N 1 1 334.257 4.485 20 10 EICDMO C[C@@H]([NH2+]CCOCc1ccccc1)c1cccc(C(F)(F)F)c1O ZINC000815585740 1048522649 /nfs/dbraw/zinc/52/26/49/1048522649.db2.gz QUBMGOXRIASQBB-CYBMUJFWSA-N 1 1 339.357 4.278 20 10 EICDMO COC[C@@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)c1ccccc1 ZINC000815593634 1048527563 /nfs/dbraw/zinc/52/75/63/1048527563.db2.gz SOVIWHYJXIXHPR-MLGOLLRUSA-N 1 1 339.357 4.449 20 10 EICDMO COCCC1(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)CCC1 ZINC000815588874 1048528254 /nfs/dbraw/zinc/52/82/54/1048528254.db2.gz BJSICPHWGWBCFC-GFCCVEGCSA-N 1 1 331.378 4.268 20 10 EICDMO Oc1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CCCC1(F)F ZINC000809780148 1048529906 /nfs/dbraw/zinc/52/99/06/1048529906.db2.gz NENSEUXEDLCAFJ-SFHVURJKSA-N 1 1 333.378 4.249 20 10 EICDMO C[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1cccc(C(F)(F)F)c1O ZINC000815614275 1048540863 /nfs/dbraw/zinc/54/08/63/1048540863.db2.gz KYSZOLKWBMZLHL-MFKMUULPSA-N 1 1 331.378 4.408 20 10 EICDMO C[C@H]([NH2+]C[C@H]1COc2ccccc21)c1cccc(C(F)(F)F)c1O ZINC000815627046 1048550911 /nfs/dbraw/zinc/55/09/11/1048550911.db2.gz RRMFPQJMKAVWIN-RYUDHWBXSA-N 1 1 337.341 4.238 20 10 EICDMO CC[C@@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1ccc(F)cc1O ZINC000815637077 1048565638 /nfs/dbraw/zinc/56/56/38/1048565638.db2.gz LVUBHCYCZWXRIG-CQSZACIVSA-N 1 1 342.336 4.229 20 10 EICDMO CC[N@H+](Cc1cccs1)Cc1cc(Br)c(F)cc1O ZINC001144308270 1048583599 /nfs/dbraw/zinc/58/35/99/1048583599.db2.gz URPALLCSBZZIQP-UHFFFAOYSA-N 1 1 344.249 4.377 20 10 EICDMO CC[N@@H+](Cc1cccs1)Cc1cc(Br)c(F)cc1O ZINC001144308270 1048583617 /nfs/dbraw/zinc/58/36/17/1048583617.db2.gz URPALLCSBZZIQP-UHFFFAOYSA-N 1 1 344.249 4.377 20 10 EICDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2cc(F)cc(C(C)=O)c2O)c1 ZINC000748050490 1048736653 /nfs/dbraw/zinc/73/66/53/1048736653.db2.gz DMOQBTJJIRZLAC-IBGZPJMESA-N 1 1 343.398 4.080 20 10 EICDMO Oc1c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)ccc2ccccc21 ZINC000816520376 1048819765 /nfs/dbraw/zinc/81/97/65/1048819765.db2.gz NSDCZPNYXUPWNL-IEBWSBKVSA-N 1 1 337.419 4.227 20 10 EICDMO Oc1c(C[N@H+]2CCO[C@H](c3ccccc3F)C2)ccc2ccccc21 ZINC000816502230 1048822142 /nfs/dbraw/zinc/82/21/42/1048822142.db2.gz SHQBRSAHWSRSPK-FQEVSTJZSA-N 1 1 337.394 4.258 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1c(F)ccc(O)c1F)C1CCCC1 ZINC000816508718 1048823585 /nfs/dbraw/zinc/82/35/85/1048823585.db2.gz SGLCJHIHKOWXOA-UHFFFAOYSA-N 1 1 333.378 4.321 20 10 EICDMO COc1ccc(OC)c([C@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816529766 1048824033 /nfs/dbraw/zinc/82/40/33/1048824033.db2.gz HBHWKROLKJJWTP-JTQLQIEISA-N 1 1 339.794 4.053 20 10 EICDMO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816536298 1048826231 /nfs/dbraw/zinc/82/62/31/1048826231.db2.gz QXLWSANGVROYKV-VIFPVBQESA-N 1 1 327.758 4.183 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000816538800 1048827222 /nfs/dbraw/zinc/82/72/22/1048827222.db2.gz HQNWLUKOHVILKZ-KUHUBIRLSA-N 1 1 349.833 4.442 20 10 EICDMO COC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccc(Cl)cc1 ZINC000816594005 1048833071 /nfs/dbraw/zinc/83/30/71/1048833071.db2.gz MAXHVBWIDGNZQC-OAHLLOKOSA-N 1 1 344.213 4.315 20 10 EICDMO Oc1c(C[N@H+]2CC[C@H](COc3ccccc3)C2)ccc2ccccc21 ZINC000816566089 1048837021 /nfs/dbraw/zinc/83/70/21/1048837021.db2.gz LCZNJBYYJMBMTQ-KRWDZBQOSA-N 1 1 333.431 4.446 20 10 EICDMO Cc1nc2c(s1)[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)CCC2 ZINC000816565775 1048837383 /nfs/dbraw/zinc/83/73/83/1048837383.db2.gz BGDXMIDRQLFDBM-GFCCVEGCSA-N 1 1 326.824 4.117 20 10 EICDMO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000816662036 1048849777 /nfs/dbraw/zinc/84/97/77/1048849777.db2.gz GDEPAFCEUVFSKF-QFIPXVFZSA-N 1 1 339.479 4.290 20 10 EICDMO CCOc1ccc(O)c(C[N@@H+]2CCc3cc(OC)c(Cl)cc3C2)c1 ZINC000816665053 1048851384 /nfs/dbraw/zinc/85/13/84/1048851384.db2.gz QGTQGBHMYYIWTG-UHFFFAOYSA-N 1 1 347.842 4.011 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2CCc3cc(OC)c(Cl)cc3C2)c1 ZINC000816665053 1048851393 /nfs/dbraw/zinc/85/13/93/1048851393.db2.gz QGTQGBHMYYIWTG-UHFFFAOYSA-N 1 1 347.842 4.011 20 10 EICDMO C[C@@H](c1ccccc1)[N@@H+](CCCc1cncn1C)Cc1ccccc1O ZINC000846839431 1048918599 /nfs/dbraw/zinc/91/85/99/1048918599.db2.gz FCUITGSKPKPNFA-SFHVURJKSA-N 1 1 349.478 4.322 20 10 EICDMO C[C@H](NC[C@H]([NH3+])c1ccccc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817955397 1049066729 /nfs/dbraw/zinc/06/67/29/1049066729.db2.gz XPGUEBPHUVNLTB-JXFKEZNVSA-N 1 1 341.474 4.167 20 10 EICDMO C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])cc1 ZINC000817962547 1049068451 /nfs/dbraw/zinc/06/84/51/1049068451.db2.gz KAZMONNIHMHJKZ-NEPJUHHUSA-N 1 1 349.272 4.025 20 10 EICDMO C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])cc1 ZINC000817963793 1049070358 /nfs/dbraw/zinc/07/03/58/1049070358.db2.gz VBFLNWYQQPGFPL-RYUDHWBXSA-N 1 1 349.272 4.025 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(F)cc1O ZINC000817976453 1049074441 /nfs/dbraw/zinc/07/44/41/1049074441.db2.gz YVYXYOQLPIKYRP-DLBZAZTESA-N 1 1 344.430 4.457 20 10 EICDMO C[C@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000817985018 1049079134 /nfs/dbraw/zinc/07/91/34/1049079134.db2.gz FNJJSHTVNGUJOF-PKOBYXMFSA-N 1 1 327.516 4.002 20 10 EICDMO C[C@@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817985277 1049081076 /nfs/dbraw/zinc/08/10/76/1049081076.db2.gz IURIMUAOTWEWTC-SJLPKXTDSA-N 1 1 345.506 4.141 20 10 EICDMO C[N@@H+](Cc1ccccc1NC(=O)C1=CC(=O)CS1)C1CCCCC1 ZINC000820699441 1049539571 /nfs/dbraw/zinc/53/95/71/1049539571.db2.gz MHSBLMMGJKXXEB-UHFFFAOYSA-N 1 1 344.480 4.471 20 10 EICDMO Cc1[nH+]ccn1-c1ncccc1NCc1ccc(N2CCCCC2)cc1 ZINC000237641008 1049677761 /nfs/dbraw/zinc/67/77/61/1049677761.db2.gz SLQFCNYCLVHGIS-UHFFFAOYSA-N 1 1 347.466 4.178 20 10 EICDMO CCN(CC)c1ccc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC001203180763 1049758762 /nfs/dbraw/zinc/75/87/62/1049758762.db2.gz BLNTXZHLKFOLLD-IBGZPJMESA-N 1 1 329.532 4.029 20 10 EICDMO CCN(CC)c1ccc(C[NH2+][C@H]2CCN(C3CCCCC3)C2)cc1 ZINC001203180763 1049758768 /nfs/dbraw/zinc/75/87/68/1049758768.db2.gz BLNTXZHLKFOLLD-IBGZPJMESA-N 1 1 329.532 4.029 20 10 EICDMO Cc1cc(C[N@@H+]2CCN(C)[C@H](C(C)(C)C)C2)ccc1N1CCCCC1 ZINC001171653319 1049770772 /nfs/dbraw/zinc/77/07/72/1049770772.db2.gz DBNGRQILSREPAK-NRFANRHFSA-N 1 1 343.559 4.147 20 10 EICDMO Cc1cc(CN2CC[N@@H+](C)[C@H](C(C)(C)C)C2)ccc1N1CCCCC1 ZINC001171653319 1049770780 /nfs/dbraw/zinc/77/07/80/1049770780.db2.gz DBNGRQILSREPAK-NRFANRHFSA-N 1 1 343.559 4.147 20 10 EICDMO Cc1cc(CN2CC[N@H+](C)[C@H](C(C)(C)C)C2)ccc1N1CCCCC1 ZINC001171653319 1049770791 /nfs/dbraw/zinc/77/07/91/1049770791.db2.gz DBNGRQILSREPAK-NRFANRHFSA-N 1 1 343.559 4.147 20 10 EICDMO COc1ccc(N(C)CC[N@@H+](C)Cc2ccc(C)cc2Cl)cc1 ZINC001171730154 1049786981 /nfs/dbraw/zinc/78/69/81/1049786981.db2.gz RRELCOMMEMKHAU-UHFFFAOYSA-N 1 1 332.875 4.225 20 10 EICDMO CCC[N@@H+](Cc1cn(C)nc1-c1ccccc1)Cc1ccccc1O ZINC000179929601 1049806226 /nfs/dbraw/zinc/80/62/26/1049806226.db2.gz GQFDPLYFUXVWHF-UHFFFAOYSA-N 1 1 335.451 4.205 20 10 EICDMO Oc1ccc(C[N@@H+](Cc2ccco2)Cc2cc(F)ccc2O)cc1 ZINC000180065242 1049838464 /nfs/dbraw/zinc/83/84/64/1049838464.db2.gz RZWYQEZNWOUASO-UHFFFAOYSA-N 1 1 327.355 4.032 20 10 EICDMO CN(Cc1cccs1)c1ccc(C[N@@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000823437401 1049846534 /nfs/dbraw/zinc/84/65/34/1049846534.db2.gz MOOCIIITMBQZHA-SFHVURJKSA-N 1 1 344.524 4.243 20 10 EICDMO COc1ccc(O)c(C[N@@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000180183069 1049858482 /nfs/dbraw/zinc/85/84/82/1049858482.db2.gz RTJOKDMJCHKRHI-UHFFFAOYSA-N 1 1 327.424 4.051 20 10 EICDMO CC[C@@H](C)OCC[C@@H](C)[NH2+]Cc1cc(Cl)c2cccnc2c1O ZINC001172323353 1049878346 /nfs/dbraw/zinc/87/83/46/1049878346.db2.gz BWUZPIHLVNKCRU-CHWSQXEVSA-N 1 1 336.863 4.277 20 10 EICDMO CC(C)N1CCC([NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000180404574 1049889796 /nfs/dbraw/zinc/88/97/96/1049889796.db2.gz CADYKVJXSSORSQ-KRWDZBQOSA-N 1 1 347.522 4.339 20 10 EICDMO COc1c(O)c(C[NH2+][C@@H](c2ccccc2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000774965132 1050223049 /nfs/dbraw/zinc/22/30/49/1050223049.db2.gz XONBVBHDJXGFAX-SFHVURJKSA-N 1 1 344.411 4.186 20 10 EICDMO Cc1c2ccccc2n(C)c1CNCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001177492027 1050229661 /nfs/dbraw/zinc/22/96/61/1050229661.db2.gz MAMZMNIKGWRAOR-CALCHBBNSA-N 1 1 341.543 4.333 20 10 EICDMO Cc1c2ccccc2n(C)c1C[NH2+]CC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC001177492027 1050229672 /nfs/dbraw/zinc/22/96/72/1050229672.db2.gz MAMZMNIKGWRAOR-CALCHBBNSA-N 1 1 341.543 4.333 20 10 EICDMO COc1ccc(C[C@@H](C)C[NH2+]Cc2c(O)ccc(Cl)c2F)cc1 ZINC001178373418 1050447376 /nfs/dbraw/zinc/44/73/76/1050447376.db2.gz IQIHVSLVDGCSBY-GFCCVEGCSA-N 1 1 337.822 4.162 20 10 EICDMO CCN(C)c1ccc(C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000773756259 1050504739 /nfs/dbraw/zinc/50/47/39/1050504739.db2.gz VFEYFBXBPMHGHT-GYCJOSAFSA-N 1 1 344.524 4.073 20 10 EICDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2ncc(-c3cccc(F)c3)o2)c1 ZINC000182325177 1050611906 /nfs/dbraw/zinc/61/19/06/1050611906.db2.gz XRBZZRAEURMLAK-LBPRGKRZSA-N 1 1 342.370 4.046 20 10 EICDMO CC[N@H+](CCCNC/C=C\c1ccc(N(C)C)cc1)C1CCCCC1 ZINC001179090692 1050630374 /nfs/dbraw/zinc/63/03/74/1050630374.db2.gz IBFAXHVDJXCKBO-NTMALXAHSA-N 1 1 343.559 4.400 20 10 EICDMO CC[N@@H+](CCCNC/C=C\c1ccc(N(C)C)cc1)C1CCCCC1 ZINC001179090692 1050630391 /nfs/dbraw/zinc/63/03/91/1050630391.db2.gz IBFAXHVDJXCKBO-NTMALXAHSA-N 1 1 343.559 4.400 20 10 EICDMO Oc1c(Br)cccc1C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000775151036 1050644470 /nfs/dbraw/zinc/64/44/70/1050644470.db2.gz DQBCFZFCTCMVAM-UHFFFAOYSA-N 1 1 344.611 4.237 20 10 EICDMO CCN(CC)c1ccc(CNC[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC001179169363 1050647643 /nfs/dbraw/zinc/64/76/43/1050647643.db2.gz YZQKGOLKVRGVDA-OAQYLSRUSA-N 1 1 329.532 4.029 20 10 EICDMO CCN(CC)c1ccc(CNC[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC001179169363 1050647650 /nfs/dbraw/zinc/64/76/50/1050647650.db2.gz YZQKGOLKVRGVDA-OAQYLSRUSA-N 1 1 329.532 4.029 20 10 EICDMO CN(C)c1ccc(/C=C/CNC[C@@H]2CC[N@@H+]2C2CCCCCC2)cc1 ZINC001179386097 1050686215 /nfs/dbraw/zinc/68/62/15/1050686215.db2.gz HJWMHLHTIQSRMQ-DORXLWPQSA-N 1 1 341.543 4.153 20 10 EICDMO CN(C)c1ccc(/C=C/CNC[C@@H]2CC[N@H+]2C2CCCCCC2)cc1 ZINC001179386097 1050686226 /nfs/dbraw/zinc/68/62/26/1050686226.db2.gz HJWMHLHTIQSRMQ-DORXLWPQSA-N 1 1 341.543 4.153 20 10 EICDMO Oc1c(F)cc(Br)cc1Nc1cc[nH+]c2ccccc12 ZINC001174039700 1050718151 /nfs/dbraw/zinc/71/81/51/1050718151.db2.gz YBRSFEUAQZBHBU-UHFFFAOYSA-N 1 1 333.160 4.008 20 10 EICDMO CCCN(CCC)c1ccc(C[NH2+]Cc2cc(C3CC3)n(C)n2)cc1 ZINC001179665877 1050754653 /nfs/dbraw/zinc/75/46/53/1050754653.db2.gz HLOSYGBACGJWJM-UHFFFAOYSA-N 1 1 340.515 4.214 20 10 EICDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc1F ZINC001179845392 1050795922 /nfs/dbraw/zinc/79/59/22/1050795922.db2.gz SDMYUVTUYVQMFX-INIZCTEOSA-N 1 1 344.474 4.211 20 10 EICDMO CCCc1ccc(C[N@H+]2CCCN(c3ccc(OC)cc3)CC2)s1 ZINC001179969636 1050851248 /nfs/dbraw/zinc/85/12/48/1050851248.db2.gz JCTUCFVPPWOXJM-UHFFFAOYSA-N 1 1 344.524 4.422 20 10 EICDMO C[C@H]1CCN(Cc2ccc(Cl)cc2O)CC[N@H+]1Cc1ccccc1 ZINC001180088507 1050863712 /nfs/dbraw/zinc/86/37/12/1050863712.db2.gz ZKQBZBLYYUQNDD-INIZCTEOSA-N 1 1 344.886 4.142 20 10 EICDMO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)c(Cl)c1 ZINC001180077233 1050874376 /nfs/dbraw/zinc/87/43/76/1050874376.db2.gz OCNPRRCWLXYCCY-PXAZEXFGSA-N 1 1 337.872 4.378 20 10 EICDMO COc1ccc(C[C@@H]2CC[N@H+]2C/C=C\c2ccc(N(C)C)cc2)cc1 ZINC001180115667 1050890777 /nfs/dbraw/zinc/89/07/77/1050890777.db2.gz BMQLVOIZPJCJBF-NYPGBQQYSA-N 1 1 336.479 4.091 20 10 EICDMO COc1ccc(C[N@@H+](C)Cc2ccc(C(C)(C)C)cc2)c(O)c1OC ZINC001180497001 1051020696 /nfs/dbraw/zinc/02/06/96/1051020696.db2.gz AMARZDPXJOHWLX-UHFFFAOYSA-N 1 1 343.467 4.339 20 10 EICDMO C[C@H](c1ccccc1)[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC001180497295 1051022313 /nfs/dbraw/zinc/02/23/13/1051022313.db2.gz IADHCCAMXVOKKC-LLVKDONJSA-N 1 1 338.220 4.487 20 10 EICDMO C[C@H](c1ccccc1)[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC001180497295 1051022325 /nfs/dbraw/zinc/02/23/25/1051022325.db2.gz IADHCCAMXVOKKC-LLVKDONJSA-N 1 1 338.220 4.487 20 10 EICDMO COc1ccc(O)c(C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC001180540838 1051028958 /nfs/dbraw/zinc/02/89/58/1051028958.db2.gz UGUYZIVKJZHVKM-UHFFFAOYSA-N 1 1 329.827 4.344 20 10 EICDMO CN(C)c1ccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)cc1 ZINC000183308196 1051082553 /nfs/dbraw/zinc/08/25/53/1051082553.db2.gz PBJWNDNZPGJPID-OAQYLSRUSA-N 1 1 335.426 4.166 20 10 EICDMO CCc1[nH+]c(C)cn1CC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC001189977981 1051086351 /nfs/dbraw/zinc/08/63/51/1051086351.db2.gz ZYFGQODWGLOEGA-UHFFFAOYSA-N 1 1 335.451 4.353 20 10 EICDMO Cc1cccc([C@@H]2CC[N@H+](Cc3cc(F)c(N(C)C)cc3F)C2)c1 ZINC001180818487 1051089869 /nfs/dbraw/zinc/08/98/69/1051089869.db2.gz BFMKNZBXTYSASX-MRXNPFEDSA-N 1 1 330.422 4.329 20 10 EICDMO COc1ccc(O)c(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000183376632 1051102502 /nfs/dbraw/zinc/10/25/02/1051102502.db2.gz ZWWYHGRXQZAEPL-UHFFFAOYSA-N 1 1 340.467 4.023 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)c(Cl)c1 ZINC001181056516 1051138550 /nfs/dbraw/zinc/13/85/50/1051138550.db2.gz RQAQEPBIHHZIJR-FQEVSTJZSA-N 1 1 343.854 4.376 20 10 EICDMO COc1cc(O)c(C[N@H+]2CC[C@@H]([C@@H]3CCCC3(C)C)C2)cc1OC ZINC001182534581 1051634058 /nfs/dbraw/zinc/63/40/58/1051634058.db2.gz WPLVVMHNXZSPAZ-ZBFHGGJFSA-N 1 1 333.472 4.058 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775510043 1051653827 /nfs/dbraw/zinc/65/38/27/1051653827.db2.gz URXSHVOYSOPOGU-WDMOLILDSA-N 1 1 331.287 4.222 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775510043 1051653833 /nfs/dbraw/zinc/65/38/33/1051653833.db2.gz URXSHVOYSOPOGU-WDMOLILDSA-N 1 1 331.287 4.222 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)Cc2ccc3cc[nH]c3c2)c1O ZINC001175612419 1051699661 /nfs/dbraw/zinc/69/96/61/1051699661.db2.gz RVNXTGIPHKBKMM-UHFFFAOYSA-N 1 1 342.826 4.362 20 10 EICDMO CC[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1cc(Cl)ccc1O ZINC000775523753 1051702227 /nfs/dbraw/zinc/70/22/27/1051702227.db2.gz MBIXKPRKMCEUJR-CABCVRRESA-N 1 1 341.785 4.098 20 10 EICDMO Oc1c(F)cccc1C[NH2+]Cc1ccccc1SC(F)(F)F ZINC001184239640 1051977413 /nfs/dbraw/zinc/97/74/13/1051977413.db2.gz PAPPGVABWICGBN-UHFFFAOYSA-N 1 1 331.334 4.433 20 10 EICDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H](Cc1ccccc1)OC ZINC001193838986 1051996311 /nfs/dbraw/zinc/99/63/11/1051996311.db2.gz OKHFJUKLPQEQEJ-HXUWFJFHSA-N 1 1 327.468 4.252 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H]2CCc3ccccc3C2)c1O ZINC001176908245 1052209700 /nfs/dbraw/zinc/20/97/00/1052209700.db2.gz BRGMXVSGAILCIY-SFHVURJKSA-N 1 1 343.854 4.238 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H]2CCc3ccccc3C2)c1O ZINC001176908245 1052209712 /nfs/dbraw/zinc/20/97/12/1052209712.db2.gz BRGMXVSGAILCIY-SFHVURJKSA-N 1 1 343.854 4.238 20 10 EICDMO CCOc1cccc(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1O ZINC001203614296 1052214495 /nfs/dbraw/zinc/21/44/95/1052214495.db2.gz VBXJCDUAPYOLJX-OAHLLOKOSA-N 1 1 331.843 4.434 20 10 EICDMO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccc2c(c1)OCCO2 ZINC000184896367 1052296868 /nfs/dbraw/zinc/29/68/68/1052296868.db2.gz GPQRLCBKMNZICI-RNODOKPDSA-N 1 1 345.414 4.350 20 10 EICDMO CCOc1cc2c(cc1C[NH2+][C@H](C)c1ccc(F)cc1O)O[C@H](C)C2 ZINC000184897919 1052297920 /nfs/dbraw/zinc/29/79/20/1052297920.db2.gz STXPLNFDPSDEHP-CHWSQXEVSA-N 1 1 345.414 4.104 20 10 EICDMO C[C@H]([NH2+]C[C@H](O)c1cc2ccccc2s1)c1ccc(F)cc1O ZINC000185720681 1052685723 /nfs/dbraw/zinc/68/57/23/1052685723.db2.gz GFCLKIXKVPINPX-ZBEGNZNMSA-N 1 1 331.412 4.130 20 10 EICDMO CC[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000764140151 1053034573 /nfs/dbraw/zinc/03/45/73/1053034573.db2.gz AIRIAQYWVPNITH-NRFANRHFSA-N 1 1 342.458 4.245 20 10 EICDMO COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000794661617 1053239711 /nfs/dbraw/zinc/23/97/11/1053239711.db2.gz PWNHRXKYRIMSSL-RISCZKNCSA-N 1 1 345.405 4.471 20 10 EICDMO COc1ccc(C[N@@H+](Cc2cc(OC)ccc2O)[C@H](C)C2CC2)cc1 ZINC000775644357 1053312595 /nfs/dbraw/zinc/31/25/95/1053312595.db2.gz IWNNZOATIFCOQE-OAHLLOKOSA-N 1 1 341.451 4.210 20 10 EICDMO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](c2nccn2C)c2ccccc2)cc1 ZINC000764811204 1053322026 /nfs/dbraw/zinc/32/20/26/1053322026.db2.gz XHJLZKWYBIBIGD-UTKZUKDTSA-N 1 1 348.494 4.316 20 10 EICDMO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](c2nccn2C)c2ccccc2)cc1 ZINC000764811198 1053323210 /nfs/dbraw/zinc/32/32/10/1053323210.db2.gz XHJLZKWYBIBIGD-DYESRHJHSA-N 1 1 348.494 4.316 20 10 EICDMO COc1ccc(O)c(C[N@@H+](C)Cc2ccccc2C(F)(F)F)c1 ZINC000775648440 1053340717 /nfs/dbraw/zinc/34/07/17/1053340717.db2.gz UVZOXOJNERGHMR-UHFFFAOYSA-N 1 1 325.330 4.052 20 10 EICDMO COCCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000794824133 1053437569 /nfs/dbraw/zinc/43/75/69/1053437569.db2.gz IFOTZQIDEKMJHY-YJBOKZPZSA-N 1 1 331.431 4.220 20 10 EICDMO COCCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000794824128 1053438312 /nfs/dbraw/zinc/43/83/12/1053438312.db2.gz IFOTZQIDEKMJHY-MAUKXSAKSA-N 1 1 331.431 4.220 20 10 EICDMO CCC[N@@H+](Cc1cccc(Cl)c1[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC000775668282 1053457043 /nfs/dbraw/zinc/45/70/43/1053457043.db2.gz VXHNPLJHMOSKMD-CQSZACIVSA-N 1 1 346.858 4.285 20 10 EICDMO COc1ccc(O)c(C[N@H+]2CCS[C@@H](C)[C@@H]2c2ccccc2)c1 ZINC000775710459 1053641926 /nfs/dbraw/zinc/64/19/26/1053641926.db2.gz KVLHUHDQWZXUDL-IFXJQAMLSA-N 1 1 329.465 4.079 20 10 EICDMO C[C@@H]([NH2+][C@H]1CCc2ccccc2-n2ccnc21)c1ccc(F)cc1O ZINC000853240826 1053658174 /nfs/dbraw/zinc/65/81/74/1053658174.db2.gz ILWWYGZRUKLSFB-DYVFJYSZSA-N 1 1 337.398 4.055 20 10 EICDMO CC[C@@H]1C[C@@H](C[N@@H+](Cc2ccco2)Cc2ccccc2O)CCO1 ZINC000780754117 1053661721 /nfs/dbraw/zinc/66/17/21/1053661721.db2.gz MTSHSUAXACWXNJ-FUHWJXTLSA-N 1 1 329.440 4.193 20 10 EICDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC001205773733 1053662137 /nfs/dbraw/zinc/66/21/37/1053662137.db2.gz RQLPHILAEALWRT-JKSUJKDBSA-N 1 1 327.299 4.077 20 10 EICDMO C/C=C\C[C@H]1CCC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC001196614399 1053714640 /nfs/dbraw/zinc/71/46/40/1053714640.db2.gz OFQVVEBDNHXIBR-LLHWWHOWSA-N 1 1 342.527 4.480 20 10 EICDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cccc(C)c1O ZINC000775733697 1053715035 /nfs/dbraw/zinc/71/50/35/1053715035.db2.gz HFPIIGFVWNSSJF-GOSISDBHSA-N 1 1 335.451 4.023 20 10 EICDMO CC[C@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(F)cc1O ZINC000866485182 1053750577 /nfs/dbraw/zinc/75/05/77/1053750577.db2.gz GSBBIWPLDUZSBS-HZMBPMFUSA-N 1 1 330.359 4.180 20 10 EICDMO CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1cccc(OC)c1OC ZINC000866508443 1053759350 /nfs/dbraw/zinc/75/93/50/1053759350.db2.gz NNNBZLZMKSNMGJ-LRDDRELGSA-N 1 1 333.403 4.350 20 10 EICDMO COc1ccc([C@@H](C)[NH2+]Cc2cccc(Br)c2O)cc1 ZINC000112017907 1053782388 /nfs/dbraw/zinc/78/23/88/1053782388.db2.gz JZKHRVKQOXHLCX-LLVKDONJSA-N 1 1 336.229 4.014 20 10 EICDMO CC[C@@H]([NH2+]Cc1nc(C)c2ccccc2n1)c1ccc(N(C)C)cc1 ZINC000765639365 1053829231 /nfs/dbraw/zinc/82/92/31/1053829231.db2.gz YALPXMUTXABZMS-LJQANCHMSA-N 1 1 334.467 4.245 20 10 EICDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000122227634 1053922146 /nfs/dbraw/zinc/92/21/46/1053922146.db2.gz BEVZVZBPRLNFQF-QGZVFWFLSA-N 1 1 347.480 4.030 20 10 EICDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000122227634 1053922158 /nfs/dbraw/zinc/92/21/58/1053922158.db2.gz BEVZVZBPRLNFQF-QGZVFWFLSA-N 1 1 347.480 4.030 20 10 EICDMO C[C@H]1C[C@@H]([NH2+]Cc2cc(COC(C)(C)C)on2)c2c1c(F)ccc2O ZINC000776866373 1054013335 /nfs/dbraw/zinc/01/33/35/1054013335.db2.gz FQZKFXYPYXCXSQ-XHDPSFHLSA-N 1 1 348.418 4.173 20 10 EICDMO Cn1cc(C[N@@H+](Cc2ccccc2O)C2CCCCC2)c(Cl)n1 ZINC000857012073 1054152036 /nfs/dbraw/zinc/15/20/36/1054152036.db2.gz VAIHKSYXNXIQGH-UHFFFAOYSA-N 1 1 333.863 4.114 20 10 EICDMO CCOc1cncc(C[N@@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000857021893 1054153175 /nfs/dbraw/zinc/15/31/75/1054153175.db2.gz YOBBIRDHTPUSET-UHFFFAOYSA-N 1 1 326.440 4.131 20 10 EICDMO CN(C)c1ccc(/C=C\CN[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC001198900697 1054294281 /nfs/dbraw/zinc/29/42/81/1054294281.db2.gz KFPZWPXOVOHIDU-UFTUAFODSA-N 1 1 349.522 4.193 20 10 EICDMO Oc1cccc(Br)c1C[NH2+]C1(c2ccccc2F)CC1 ZINC000858140584 1054423650 /nfs/dbraw/zinc/42/36/50/1054423650.db2.gz DTHXEEGSHLYSNU-UHFFFAOYSA-N 1 1 336.204 4.073 20 10 EICDMO COc1ccc(O)c(C[N@@H+](CC(C)C)[C@H]2CCCc3cccnc32)c1 ZINC000775994953 1054434882 /nfs/dbraw/zinc/43/48/82/1054434882.db2.gz OCRLXMUGNXRSRJ-IBGZPJMESA-N 1 1 340.467 4.331 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccc(OC)cc2OC)cc1 ZINC001203942846 1054480297 /nfs/dbraw/zinc/48/02/97/1054480297.db2.gz ULALQEMWLTWRBM-UHFFFAOYSA-N 1 1 342.483 4.182 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1ccc(Cl)nn1)C1CCCCC1 ZINC000876522412 1054927668 /nfs/dbraw/zinc/92/76/68/1054927668.db2.gz QCHHXYJLPARTGP-UHFFFAOYSA-N 1 1 331.847 4.171 20 10 EICDMO C[C@H](NCc1ccc(N2CCCC2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001201946483 1054962193 /nfs/dbraw/zinc/96/21/93/1054962193.db2.gz FESZYIKSGKQCQJ-ICSRJNTNSA-N 1 1 341.543 4.029 20 10 EICDMO C[C@H](NCc1ccc(N2CCCC2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001201946483 1054962204 /nfs/dbraw/zinc/96/22/04/1054962204.db2.gz FESZYIKSGKQCQJ-ICSRJNTNSA-N 1 1 341.543 4.029 20 10 EICDMO Cc1cccc(O)c1C[N@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000877336609 1055043245 /nfs/dbraw/zinc/04/32/45/1055043245.db2.gz LCBOETKVNHNHCW-FXAWDEMLSA-N 1 1 329.415 4.192 20 10 EICDMO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccc(OC(F)(F)F)cc1 ZINC001202259869 1055102268 /nfs/dbraw/zinc/10/22/68/1055102268.db2.gz XVSSLDVMSBMTLP-VIFPVBQESA-N 1 1 347.283 4.420 20 10 EICDMO CCN(CC)c1ccc(C[N@H+](C)Cc2cn3cc(C)ccc3n2)cc1 ZINC000741678735 1058339078 /nfs/dbraw/zinc/33/90/78/1058339078.db2.gz XGNNAIXLRSFJCV-UHFFFAOYSA-N 1 1 336.483 4.121 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cn3cc(C)ccc3n2)cc1 ZINC000741678735 1058339084 /nfs/dbraw/zinc/33/90/84/1058339084.db2.gz XGNNAIXLRSFJCV-UHFFFAOYSA-N 1 1 336.483 4.121 20 10 EICDMO Cc1ccccc1[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000742163545 1058525975 /nfs/dbraw/zinc/52/59/75/1058525975.db2.gz SPBGYVWAMGTCQY-JOCHJYFZSA-N 1 1 333.431 4.427 20 10 EICDMO Cc1ccccc1[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)[C@H](C)CO1 ZINC000742167424 1058529977 /nfs/dbraw/zinc/52/99/77/1058529977.db2.gz FVSRFMNRVBUXCS-OPAMFIHVSA-N 1 1 337.463 4.151 20 10 EICDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2O)OCO3)c1C ZINC000742153153 1058535207 /nfs/dbraw/zinc/53/52/07/1058535207.db2.gz OYWVGNZUURFGES-KRWDZBQOSA-N 1 1 325.408 4.075 20 10 EICDMO COc1ccc2ccc(O)c(C[N@H+]3CCOC[C@@H]3c3ccccc3)c2c1 ZINC000743401510 1058980817 /nfs/dbraw/zinc/98/08/17/1058980817.db2.gz BHWSUXZCGAMVAK-OAQYLSRUSA-N 1 1 349.430 4.128 20 10 EICDMO CCc1cc(CN2CC[C@H](C[N@@H+](C)CC)C2)c(O)c(C(C)(C)C)c1 ZINC000743398459 1058981088 /nfs/dbraw/zinc/98/10/88/1058981088.db2.gz FPTOGZBAQLBEPU-QGZVFWFLSA-N 1 1 332.532 4.026 20 10 EICDMO CCc1cc(CN2CC[C@H](C[N@H+](C)CC)C2)c(O)c(C(C)(C)C)c1 ZINC000743398459 1058981105 /nfs/dbraw/zinc/98/11/05/1058981105.db2.gz FPTOGZBAQLBEPU-QGZVFWFLSA-N 1 1 332.532 4.026 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H](O)c2cccc(Cl)c2)cc1 ZINC000743839551 1059143916 /nfs/dbraw/zinc/14/39/16/1059143916.db2.gz KFOIZBMPLGNMIL-HXUWFJFHSA-N 1 1 346.902 4.352 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000743870306 1059192381 /nfs/dbraw/zinc/19/23/81/1059192381.db2.gz POLDRZKTBYWYDH-KRWDZBQOSA-N 1 1 340.467 4.248 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CC2(c3ccccc3)CC2)c1O ZINC001169291735 1060749099 /nfs/dbraw/zinc/74/90/99/1060749099.db2.gz CPPQYWANWHYDJA-UHFFFAOYSA-N 1 1 343.854 4.412 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)CC2(c3ccccc3)CC2)c1O ZINC001169291735 1060749116 /nfs/dbraw/zinc/74/91/16/1060749116.db2.gz CPPQYWANWHYDJA-UHFFFAOYSA-N 1 1 343.854 4.412 20 10 EICDMO CC[C@@H](NC1CC[NH+](C2CCCC2)CC1)c1ccc(N(C)C)cc1 ZINC000160482730 1021961532 /nfs/dbraw/zinc/96/15/32/1021961532.db2.gz BCCZUOKNOOUACT-OAQYLSRUSA-N 1 1 329.532 4.200 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC001167722459 1022035824 /nfs/dbraw/zinc/03/58/24/1022035824.db2.gz UPMDWSIDRRZYMN-SFHVURJKSA-N 1 1 348.494 4.399 20 10 EICDMO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000310807620 1022393444 /nfs/dbraw/zinc/39/34/44/1022393444.db2.gz HZTJGHJQKNHAIZ-CMKODMSKSA-N 1 1 338.495 4.262 20 10 EICDMO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000310901391 1022570655 /nfs/dbraw/zinc/57/06/55/1022570655.db2.gz MVAMSXCFCWQUQB-QUCCMNQESA-N 1 1 338.495 4.263 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310905354 1022576341 /nfs/dbraw/zinc/57/63/41/1022576341.db2.gz BUFPZXDHOOSJSS-SOLBZPMBSA-N 1 1 342.458 4.093 20 10 EICDMO Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)c(O)c1 ZINC000311001917 1022811983 /nfs/dbraw/zinc/81/19/83/1022811983.db2.gz JTMUDQQFUFLIHG-PGRDOPGGSA-N 1 1 338.495 4.263 20 10 EICDMO C[N@@H+](Cc1ccccc1O)Cc1ccc(Br)cc1Cl ZINC001137565614 1023379272 /nfs/dbraw/zinc/37/92/72/1023379272.db2.gz WHRULSWXILEHLZ-UHFFFAOYSA-N 1 1 340.648 4.440 20 10 EICDMO CCOc1ccc(O)c(C[NH+](Cc2ccco2)Cc2ccco2)c1 ZINC000162573233 1023521979 /nfs/dbraw/zinc/52/19/79/1023521979.db2.gz YPPCKWNUPSEQRL-UHFFFAOYSA-N 1 1 327.380 4.179 20 10 EICDMO CC[C@@H](c1ccccc1O)[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000377615236 1023634166 /nfs/dbraw/zinc/63/41/66/1023634166.db2.gz LHDJAQHDANKKKG-JKSUJKDBSA-N 1 1 327.428 4.331 20 10 EICDMO CC[C@@H](c1ccccc1O)[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000377615236 1023634173 /nfs/dbraw/zinc/63/41/73/1023634173.db2.gz LHDJAQHDANKKKG-JKSUJKDBSA-N 1 1 327.428 4.331 20 10 EICDMO Fc1cc(C[N@H+]2CCC[C@@H]2c2cccs2)ccc1N1CCOCC1 ZINC000162698363 1023704551 /nfs/dbraw/zinc/70/45/51/1023704551.db2.gz SVEBZLKVMDMVOV-GOSISDBHSA-N 1 1 346.471 4.061 20 10 EICDMO C[C@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)c1ccc(F)cc1O ZINC000377739872 1023733341 /nfs/dbraw/zinc/73/33/41/1023733341.db2.gz BZXPQDOBQXRFNZ-VBKZILBWSA-N 1 1 341.426 4.276 20 10 EICDMO COc1ccccc1[C@H]([NH2+]Cc1cc(C)c(C)cc1O)c1ccco1 ZINC000151119350 1025266042 /nfs/dbraw/zinc/26/60/42/1025266042.db2.gz QNAYXTHIOSXPIH-NRFANRHFSA-N 1 1 337.419 4.490 20 10 EICDMO C[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000158186231 1026554598 /nfs/dbraw/zinc/55/45/98/1026554598.db2.gz IJMADYJRUCMWKC-OALUTQOASA-N 1 1 329.532 4.059 20 10 EICDMO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)s1 ZINC000280789469 1026890727 /nfs/dbraw/zinc/89/07/27/1026890727.db2.gz GJBUHGNLZAFFQY-LLVKDONJSA-N 1 1 343.418 4.387 20 10 EICDMO CC[C@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1ccc(F)cc1O ZINC000796664382 1028748755 /nfs/dbraw/zinc/74/87/55/1028748755.db2.gz WIFIWCKSIPJXAS-IRXDYDNUSA-N 1 1 348.487 4.471 20 10 EICDMO Cc1c2ccccc2n(C)c1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000475192885 1029406121 /nfs/dbraw/zinc/40/61/21/1029406121.db2.gz HGNNJDPMOPFQBR-UHFFFAOYSA-N 1 1 339.527 4.373 20 10 EICDMO CC[C@H]([NH2+][C@H]1CCCn2nc(C(C)C)nc21)c1ccc(N(C)C)cc1 ZINC000167977352 1029646522 /nfs/dbraw/zinc/64/65/22/1029646522.db2.gz YSFDFWLNHKJDAB-ROUUACIJSA-N 1 1 341.503 4.043 20 10 EICDMO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc(F)cc2O)cc1F ZINC000185134784 1030115379 /nfs/dbraw/zinc/11/53/79/1030115379.db2.gz KCTQLMOUVZTXCD-GFCCVEGCSA-N 1 1 343.377 4.015 20 10 EICDMO C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)c1ncc[nH]1 ZINC000287698011 1030609063 /nfs/dbraw/zinc/60/90/63/1030609063.db2.gz WZUGARCHJVQWBT-KGLIPLIRSA-N 1 1 332.879 4.150 20 10 EICDMO CCCO[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000177152931 1031357966 /nfs/dbraw/zinc/35/79/66/1031357966.db2.gz GDISDVIEIGXJLI-INIZCTEOSA-N 1 1 339.863 4.029 20 10 EICDMO CCCO[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000177152931 1031357974 /nfs/dbraw/zinc/35/79/74/1031357974.db2.gz GDISDVIEIGXJLI-INIZCTEOSA-N 1 1 339.863 4.029 20 10 EICDMO C[C@H](c1ccccc1)[N@H+](Cc1ccccc1O)C[C@@H]1CCO[C@H]1C ZINC001168243459 1031426274 /nfs/dbraw/zinc/42/62/74/1031426274.db2.gz DZVUYNSMNUHCGL-AOIWGVFYSA-N 1 1 325.452 4.380 20 10 EICDMO Cc1ccc([C@H]([NH2+]Cc2ccc(N(C)C)cc2)c2ccccn2)cc1 ZINC000375921212 1031515658 /nfs/dbraw/zinc/51/56/58/1031515658.db2.gz QMIQMYSVQNXINU-QFIPXVFZSA-N 1 1 331.463 4.335 20 10 EICDMO C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc2ccccc2c1[O-] ZINC000323861762 1035717978 /nfs/dbraw/zinc/71/79/78/1035717978.db2.gz PAMUCUUFSBLOCP-IRXDYDNUSA-N 1 1 326.484 4.461 20 10 EICDMO C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc2ccccc2c1[O-] ZINC000323861762 1035717995 /nfs/dbraw/zinc/71/79/95/1035717995.db2.gz PAMUCUUFSBLOCP-IRXDYDNUSA-N 1 1 326.484 4.461 20 10 EICDMO COc1ccc2c(c1)CCC[N@H+](Cc1cc(Cl)cc(OC)c1O)C2 ZINC000761193774 1036005118 /nfs/dbraw/zinc/00/51/18/1036005118.db2.gz HWQQTXVSCAEGQI-UHFFFAOYSA-N 1 1 347.842 4.011 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)c1O ZINC000761195175 1036018978 /nfs/dbraw/zinc/01/89/78/1036018978.db2.gz IAKXSEMJXNNVRZ-UGSOOPFHSA-N 1 1 347.842 4.016 20 10 EICDMO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)c1O ZINC000761195175 1036018993 /nfs/dbraw/zinc/01/89/93/1036018993.db2.gz IAKXSEMJXNNVRZ-UGSOOPFHSA-N 1 1 347.842 4.016 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CC[C@H](COCc3ccccc3)C2)cc1C ZINC000172970371 1038030691 /nfs/dbraw/zinc/03/06/91/1038030691.db2.gz OUBHQVOCRSJMID-IBGZPJMESA-N 1 1 325.452 4.048 20 10 EICDMO C[C@H]([NH2+]Cc1cc(F)ccc1Br)c1ccc(F)cc1O ZINC000062747862 1038239462 /nfs/dbraw/zinc/23/94/62/1038239462.db2.gz ZOPYAFAJXXDHGK-VIFPVBQESA-N 1 1 342.183 4.284 20 10 EICDMO CCOCc1cc(C[NH2+]C(C)(C)c2nc(C)c(C)s2)ccc1OC ZINC000076904254 1043169308 /nfs/dbraw/zinc/16/93/08/1043169308.db2.gz HUPAEBNLGCDTAJ-UHFFFAOYSA-N 1 1 348.512 4.330 20 10 EICDMO C[N@@H+](Cc1ccccc1O)Cc1cc(Cl)ccc1OC(F)F ZINC000732203459 1043887536 /nfs/dbraw/zinc/88/75/36/1043887536.db2.gz VQPVSRYUNWJRJY-UHFFFAOYSA-N 1 1 327.758 4.279 20 10 EICDMO Cc1cccc(NC(=O)C[N@@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000732204232 1043887609 /nfs/dbraw/zinc/88/76/09/1043887609.db2.gz GFZNLTDYNUZTLV-UHFFFAOYSA-N 1 1 338.451 4.084 20 10 EICDMO Oc1ccccc1C[N@H+](C[C@H](O)c1ccc(F)cc1)C1CCCC1 ZINC000732204975 1043887780 /nfs/dbraw/zinc/88/77/80/1043887780.db2.gz WRVHAHFEHBUZPV-FQEVSTJZSA-N 1 1 329.415 4.010 20 10 EICDMO C[N@@H+](Cc1cc(Cl)ccc1F)Cc1c(O)ccc2ccncc21 ZINC000766089287 1044002291 /nfs/dbraw/zinc/00/22/91/1044002291.db2.gz NGOLJBDYRRMNMB-UHFFFAOYSA-N 1 1 330.790 4.365 20 10 EICDMO C[C@@H](C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 ZINC000735079029 1044738430 /nfs/dbraw/zinc/73/84/30/1044738430.db2.gz ZNNNHILZRXHCBD-PXNSSMCTSA-N 1 1 325.452 4.177 20 10 EICDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000736596875 1044957761 /nfs/dbraw/zinc/95/77/61/1044957761.db2.gz UOIOBTPSSROIQS-RHSMWYFYSA-N 1 1 336.410 4.458 20 10 EICDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000736596876 1044958387 /nfs/dbraw/zinc/95/83/87/1044958387.db2.gz UOIOBTPSSROIQS-WMLDXEAASA-N 1 1 336.410 4.458 20 10 EICDMO Cc1cccc([C@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccccn2)c1 ZINC000153542376 1045235388 /nfs/dbraw/zinc/23/53/88/1045235388.db2.gz QMTMEZHEXXRPLB-QFIPXVFZSA-N 1 1 330.431 4.204 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccccc1N1CCCCC1 ZINC000790991288 1045645414 /nfs/dbraw/zinc/64/54/14/1045645414.db2.gz SVRSNDIQTNAQLI-UHFFFAOYSA-N 1 1 348.849 4.465 20 10 EICDMO Cc1ccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1F ZINC000768162092 1045728814 /nfs/dbraw/zinc/72/88/14/1045728814.db2.gz LCBKYZXKGCIOJV-GOSISDBHSA-N 1 1 329.415 4.021 20 10 EICDMO COc1ccc(N2CCC[N@@H+](Cc3cccc(C(F)F)c3)CC2)cc1 ZINC000791445972 1045742444 /nfs/dbraw/zinc/74/24/44/1045742444.db2.gz CQIKMZMDBPKHEC-UHFFFAOYSA-N 1 1 346.421 4.345 20 10 EICDMO COc1cc(C)c(C[N@@H+](C)Cc2c(O)cccc2Cl)cc1OC ZINC000768198516 1045750873 /nfs/dbraw/zinc/75/08/73/1045750873.db2.gz UTENCKJVRDKAQF-UHFFFAOYSA-N 1 1 335.831 4.003 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2c[nH]nc2-c2ccccc2)C2CC2)cc1 ZINC000768258220 1045767423 /nfs/dbraw/zinc/76/74/23/1045767423.db2.gz VFMXBZYDJNLDPV-UHFFFAOYSA-N 1 1 346.478 4.307 20 10 EICDMO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2cc3c(cc2O)OCO3)C2CC2)o1 ZINC000768258143 1045767754 /nfs/dbraw/zinc/76/77/54/1045767754.db2.gz QQPLYMUIUSWUSV-LRDDRELGSA-N 1 1 341.407 4.002 20 10 EICDMO Cc1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)cnc1Cl ZINC000768256285 1045770117 /nfs/dbraw/zinc/77/01/17/1045770117.db2.gz AQZUVPHANKAZGN-UHFFFAOYSA-N 1 1 329.875 4.274 20 10 EICDMO COc1cc(O)c(C[N@@H+](Cc2cccc(Cl)c2)C(C)C)cc1OC ZINC000768440037 1045807534 /nfs/dbraw/zinc/80/75/34/1045807534.db2.gz RFAQVLMPPUOBHM-UHFFFAOYSA-N 1 1 349.858 4.473 20 10 EICDMO COc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@H]2c2cccc(F)c2)cc1OC ZINC000768464956 1045810556 /nfs/dbraw/zinc/81/05/56/1045810556.db2.gz CXQKZMFBWCWAPX-XCLFUZPHSA-N 1 1 345.414 4.132 20 10 EICDMO CCC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000768470502 1045812533 /nfs/dbraw/zinc/81/25/33/1045812533.db2.gz IJNXZEABFOPSFO-UHFFFAOYSA-N 1 1 342.458 4.075 20 10 EICDMO COCC[C@@H]1CCCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000768539795 1045818590 /nfs/dbraw/zinc/81/85/90/1045818590.db2.gz BYXXGQHLSRHMKM-IBGZPJMESA-N 1 1 330.516 4.316 20 10 EICDMO CCOc1cccc(C[N@@H+](CC)[C@@H](C)c2cccc(OC)c2)c1O ZINC000768520132 1045818988 /nfs/dbraw/zinc/81/89/88/1045818988.db2.gz ZGABCXNRNAGXQA-HNNXBMFYSA-N 1 1 329.440 4.383 20 10 EICDMO CCOc1ccc(C[N@@H+](Cc2cccc(OC)c2O)C(C)C)cc1 ZINC000768564397 1045821202 /nfs/dbraw/zinc/82/12/02/1045821202.db2.gz VFCBTLLIIOOEAQ-UHFFFAOYSA-N 1 1 329.440 4.210 20 10 EICDMO CCOc1ccc(O)c(C[N@@H+](CCOC)[C@@H](C)c2ccccc2)c1 ZINC000768598444 1045824875 /nfs/dbraw/zinc/82/48/75/1045824875.db2.gz YWTMKCUJDIZLDG-INIZCTEOSA-N 1 1 329.440 4.001 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000768900784 1045855643 /nfs/dbraw/zinc/85/56/43/1045855643.db2.gz IMBGZADGCALHFW-OAQYLSRUSA-N 1 1 336.479 4.119 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000768900784 1045855640 /nfs/dbraw/zinc/85/56/40/1045855640.db2.gz IMBGZADGCALHFW-OAQYLSRUSA-N 1 1 336.479 4.119 20 10 EICDMO CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000768925366 1045861800 /nfs/dbraw/zinc/86/18/00/1045861800.db2.gz BFQUPKYGSYVXOG-UHFFFAOYSA-N 1 1 345.314 4.251 20 10 EICDMO Cc1ccc(O)c(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c1 ZINC000769192869 1045886117 /nfs/dbraw/zinc/88/61/17/1045886117.db2.gz VHBYQDPDEXPINM-LJQANCHMSA-N 1 1 329.415 4.021 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)c1O ZINC000769229059 1045896955 /nfs/dbraw/zinc/89/69/55/1045896955.db2.gz UOQDDZZTQQGVQZ-LBPRGKRZSA-N 1 1 349.352 4.002 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2c2ccccc2OC)c1 ZINC000769317989 1045919819 /nfs/dbraw/zinc/91/98/19/1045919819.db2.gz DYXXYIOWXBDUHK-SFHVURJKSA-N 1 1 327.424 4.137 20 10 EICDMO Oc1c(Br)cccc1C[N@@H+]1CCCc2sccc2C1 ZINC000769381246 1045942140 /nfs/dbraw/zinc/94/21/40/1045942140.db2.gz NJVQWPYHOZTMES-UHFFFAOYSA-N 1 1 338.270 4.165 20 10 EICDMO Oc1c(Br)cccc1C[N@H+]1CCCc2sccc2C1 ZINC000769381246 1045942155 /nfs/dbraw/zinc/94/21/55/1045942155.db2.gz NJVQWPYHOZTMES-UHFFFAOYSA-N 1 1 338.270 4.165 20 10 EICDMO Cc1ccc2ncc(C[N@@H+](Cc3ccccc3O)C3CCCC3)n2c1 ZINC000769389344 1045944991 /nfs/dbraw/zinc/94/49/91/1045944991.db2.gz PRLXXUBHYBFETM-UHFFFAOYSA-N 1 1 335.451 4.293 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H](CCO)c1ccccc1 ZINC000769426300 1045959743 /nfs/dbraw/zinc/95/97/43/1045959743.db2.gz PEZVBXHVTKGSFF-QFIPXVFZSA-N 1 1 338.495 4.232 20 10 EICDMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c(O)c1 ZINC000769428254 1045962282 /nfs/dbraw/zinc/96/22/82/1045962282.db2.gz OMHUWXURANYLPF-GOSISDBHSA-N 1 1 333.378 4.406 20 10 EICDMO Cc1cc(O)c(C[N@H+](Cc2ccccc2)CC2CCOCC2)cc1C ZINC000769397181 1045967265 /nfs/dbraw/zinc/96/72/65/1045967265.db2.gz CFZJCUKLWDGGMK-UHFFFAOYSA-N 1 1 339.479 4.438 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)c1 ZINC000769474915 1045992301 /nfs/dbraw/zinc/99/23/01/1045992301.db2.gz SZAPBCADSGPMPO-KKSFZXQISA-N 1 1 341.451 4.061 20 10 EICDMO CCOc1ccc(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)c(O)c1 ZINC000769476116 1045992404 /nfs/dbraw/zinc/99/24/04/1045992404.db2.gz WHWBONVTIAZHLC-IERDGZPVSA-N 1 1 341.451 4.061 20 10 EICDMO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H](c2ccc(F)cc2)O1 ZINC000769476212 1045992498 /nfs/dbraw/zinc/99/24/98/1045992498.db2.gz XHAWURJDMNEAKV-KPZWWZAWSA-N 1 1 335.806 4.147 20 10 EICDMO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@H](c2ccc(F)cc2)O1 ZINC000769476212 1045992503 /nfs/dbraw/zinc/99/25/03/1045992503.db2.gz XHAWURJDMNEAKV-KPZWWZAWSA-N 1 1 335.806 4.147 20 10 EICDMO COc1ccc(-n2c(C)cc(C[N@H+](C)Cc3cncs3)c2C)cc1 ZINC000769524661 1046006888 /nfs/dbraw/zinc/00/68/88/1046006888.db2.gz GVFSEYKKKUOKTH-UHFFFAOYSA-N 1 1 341.480 4.191 20 10 EICDMO COc1ccc(-n2c(C)cc(C[N@@H+](C)Cc3cncs3)c2C)cc1 ZINC000769524661 1046006902 /nfs/dbraw/zinc/00/69/02/1046006902.db2.gz GVFSEYKKKUOKTH-UHFFFAOYSA-N 1 1 341.480 4.191 20 10 EICDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@H](c2ccco2)C1 ZINC000769524382 1046009932 /nfs/dbraw/zinc/00/99/32/1046009932.db2.gz DJYBLYJVIZSKPI-XLIONFOSSA-N 1 1 340.467 4.089 20 10 EICDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cc(C)ccc1O ZINC000769531938 1046010548 /nfs/dbraw/zinc/01/05/48/1046010548.db2.gz FYDRLNNGWUIXRE-SFHVURJKSA-N 1 1 335.451 4.023 20 10 EICDMO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c(C(F)(F)F)c1 ZINC000792759602 1046063276 /nfs/dbraw/zinc/06/32/76/1046063276.db2.gz AADNIRSKPKFSPI-QGZVFWFLSA-N 1 1 337.389 4.437 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c(C(F)(F)F)c1 ZINC000792759602 1046063291 /nfs/dbraw/zinc/06/32/91/1046063291.db2.gz AADNIRSKPKFSPI-QGZVFWFLSA-N 1 1 337.389 4.437 20 10 EICDMO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793075386 1046134289 /nfs/dbraw/zinc/13/42/89/1046134289.db2.gz BTWIJIYXRMYBGZ-CYBMUJFWSA-N 1 1 337.389 4.359 20 10 EICDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000770304399 1046176294 /nfs/dbraw/zinc/17/62/94/1046176294.db2.gz MOTXOHFRFVKEBS-OAQYLSRUSA-N 1 1 338.499 4.056 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000770327486 1046181877 /nfs/dbraw/zinc/18/18/77/1046181877.db2.gz QYTJWMRCWKLUKO-VQTJNVASSA-N 1 1 342.483 4.214 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000770372670 1046186637 /nfs/dbraw/zinc/18/66/37/1046186637.db2.gz FCANCUDTVJDELP-UXHICEINSA-N 1 1 337.463 4.308 20 10 EICDMO CCC[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@@H](O)c1ccccc1 ZINC000793245340 1046189302 /nfs/dbraw/zinc/18/93/02/1046189302.db2.gz XKXRPEDHAAMSPO-YJBOKZPZSA-N 1 1 337.822 4.177 20 10 EICDMO COc1cccc(C[N@@H+]2CC=C(c3cccc(Cl)c3)CC2)c1O ZINC000793297856 1046197927 /nfs/dbraw/zinc/19/79/27/1046197927.db2.gz SAENAGPVQRECMG-UHFFFAOYSA-N 1 1 329.827 4.344 20 10 EICDMO CCN(CC)c1ccc(C[N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000917019859 1046563428 /nfs/dbraw/zinc/56/34/28/1046563428.db2.gz IYKWLEYYGJKYJH-UHFFFAOYSA-N 1 1 345.418 4.212 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000917019859 1046563443 /nfs/dbraw/zinc/56/34/43/1046563443.db2.gz IYKWLEYYGJKYJH-UHFFFAOYSA-N 1 1 345.418 4.212 20 10 EICDMO Cc1cccn2cc(C[N@@H+](Cc3ccc(N(C)C)cc3)C(C)C)nc12 ZINC000917074830 1046639451 /nfs/dbraw/zinc/63/94/51/1046639451.db2.gz HPEPKPCMLGZQMK-UHFFFAOYSA-N 1 1 336.483 4.119 20 10 EICDMO Cc1c(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)cccc1[N+](=O)[O-] ZINC000917075247 1046639488 /nfs/dbraw/zinc/63/94/88/1046639488.db2.gz SRBJQFVVMGVHGY-UHFFFAOYSA-N 1 1 341.455 4.380 20 10 EICDMO Oc1cc2c(cc1C[N@@H+](Cc1ccc(F)cc1F)C1CC1)CCC2 ZINC000917477386 1046899679 /nfs/dbraw/zinc/89/96/79/1046899679.db2.gz LQKBAIAKDCAZOG-UHFFFAOYSA-N 1 1 329.390 4.324 20 10 EICDMO COc1ccc(N2CCC[N@@H+](Cc3cc(Cl)cs3)CC2)cc1 ZINC000787130310 1046912855 /nfs/dbraw/zinc/91/28/55/1046912855.db2.gz ZYUJEAHOLUGAAP-UHFFFAOYSA-N 1 1 336.888 4.122 20 10 EICDMO CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139455 1047132564 /nfs/dbraw/zinc/13/25/64/1047132564.db2.gz ASUKPLXDARAOGE-WBIUFABUSA-N 1 1 331.287 4.222 20 10 EICDMO CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139455 1047132572 /nfs/dbraw/zinc/13/25/72/1047132572.db2.gz ASUKPLXDARAOGE-WBIUFABUSA-N 1 1 331.287 4.222 20 10 EICDMO CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139951 1047136694 /nfs/dbraw/zinc/13/66/94/1047136694.db2.gz STOOYISFODZOOW-ABAIWWIYSA-N 1 1 331.287 4.082 20 10 EICDMO CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1cccc(Cl)c1[O-] ZINC000806148161 1047172788 /nfs/dbraw/zinc/17/27/88/1047172788.db2.gz CVUGZYVMBIUOPE-YJBOKZPZSA-N 1 1 338.923 4.454 20 10 EICDMO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCCC2(F)F)c1O ZINC000806180353 1047191274 /nfs/dbraw/zinc/19/12/74/1047191274.db2.gz NEFLPDATDFFJOA-SKDRFNHKSA-N 1 1 334.204 4.302 20 10 EICDMO CC[N@@H+](Cc1ccc(Br)o1)Cc1ccc(N(C)C)cc1 ZINC000788443995 1047191493 /nfs/dbraw/zinc/19/14/93/1047191493.db2.gz WFZQOMBCMXQLLL-UHFFFAOYSA-N 1 1 337.261 4.130 20 10 EICDMO CC(C)[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@H](O)c1ccccc1 ZINC000788541352 1047217904 /nfs/dbraw/zinc/21/79/04/1047217904.db2.gz WAUXPMJETVUJRB-QZTJIDSGSA-N 1 1 337.822 4.033 20 10 EICDMO CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000788593638 1047240406 /nfs/dbraw/zinc/24/04/06/1047240406.db2.gz HEVWHMDXGMMTQI-KBPBESRZSA-N 1 1 344.421 4.182 20 10 EICDMO C[C@H]([NH2+]Cc1ccccc1N(C)C)c1cccc(C(F)(F)F)c1O ZINC000788646753 1047247266 /nfs/dbraw/zinc/24/72/66/1047247266.db2.gz RNNMPUMRFBKFOF-LBPRGKRZSA-N 1 1 338.373 4.328 20 10 EICDMO C[C@@H]([NH2+]CCCOCC(F)(F)F)c1cccc(C(F)(F)F)c1O ZINC000788646092 1047248866 /nfs/dbraw/zinc/24/88/66/1047248866.db2.gz JMVZLJVJWZGEQU-SECBINFHSA-N 1 1 345.283 4.031 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1cccc(C(F)(F)F)c1O ZINC000788687057 1047263360 /nfs/dbraw/zinc/26/33/60/1047263360.db2.gz ARJFASSSGWZNSN-SECBINFHSA-N 1 1 330.737 4.310 20 10 EICDMO Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)c1 ZINC000788670118 1047268316 /nfs/dbraw/zinc/26/83/16/1047268316.db2.gz RQUCEJCZFOGYES-LRDDRELGSA-N 1 1 339.357 4.104 20 10 EICDMO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788671670 1047269826 /nfs/dbraw/zinc/26/98/26/1047269826.db2.gz NAVLYFOBANJNRO-ZJUUUORDSA-N 1 1 342.361 4.470 20 10 EICDMO C[C@@H]([NH2+]CCC[C@@H]1CCCCO1)c1cccc(C(F)(F)F)c1O ZINC000788752908 1047288726 /nfs/dbraw/zinc/28/87/26/1047288726.db2.gz XPWHPVXDQBTUHZ-OLZOCXBDSA-N 1 1 331.378 4.411 20 10 EICDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCCc3ccc(C)cc32)c1 ZINC000806660229 1047335054 /nfs/dbraw/zinc/33/50/54/1047335054.db2.gz AMJGUINOJWNBSW-LIRRHRJNSA-N 1 1 339.435 4.215 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1)oc1ccccc12 ZINC000789513250 1047435438 /nfs/dbraw/zinc/43/54/38/1047435438.db2.gz KMSZMSBIVNRUOS-PXNSSMCTSA-N 1 1 337.419 4.435 20 10 EICDMO CSC[C@@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000814178940 1047868336 /nfs/dbraw/zinc/86/83/36/1047868336.db2.gz JVXPTDCVNSJCKG-GFCCVEGCSA-N 1 1 344.318 4.038 20 10 EICDMO CSC[C@@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000814178940 1047868339 /nfs/dbraw/zinc/86/83/39/1047868339.db2.gz JVXPTDCVNSJCKG-GFCCVEGCSA-N 1 1 344.318 4.038 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824715881 1047907802 /nfs/dbraw/zinc/90/78/02/1047907802.db2.gz QBJURSJQIXJLQS-TUNNFDKTSA-N 1 1 337.463 4.185 20 10 EICDMO CC[N@@H+](Cc1ccc(OCC(F)F)cc1)Cc1ccc(N(C)C)cc1 ZINC001136941920 1047967571 /nfs/dbraw/zinc/96/75/71/1047967571.db2.gz MOXHTXPHYNMGQO-UHFFFAOYSA-N 1 1 348.437 4.419 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)Cc2cccc(C)c2C)c1O ZINC001170559242 1048048228 /nfs/dbraw/zinc/04/82/28/1048048228.db2.gz JIKOJNVCILMNBD-UHFFFAOYSA-N 1 1 331.843 4.497 20 10 EICDMO CO[C@@H](C)c1nc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)cs1 ZINC000808701392 1048079077 /nfs/dbraw/zinc/07/90/77/1048079077.db2.gz WPSKAVZKPHCCFF-MNOVXSKESA-N 1 1 340.876 4.369 20 10 EICDMO Cc1cc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)ccc1N(C)C ZINC000815064058 1048316320 /nfs/dbraw/zinc/31/63/20/1048316320.db2.gz MGDTVZCDDAJYPO-UHFFFAOYSA-N 1 1 346.478 4.227 20 10 EICDMO Cc1cc(C[N@H+](C)Cc2nc(-c3ccccc3)c[nH]2)ccc1N(C)C ZINC000815075362 1048319199 /nfs/dbraw/zinc/31/91/99/1048319199.db2.gz XSKMFCBRVYTZSX-UHFFFAOYSA-N 1 1 334.467 4.083 20 10 EICDMO Cc1cc(C[N@@H+](C)Cc2nc(-c3ccccc3)c[nH]2)ccc1N(C)C ZINC000815075362 1048319217 /nfs/dbraw/zinc/31/92/17/1048319217.db2.gz XSKMFCBRVYTZSX-UHFFFAOYSA-N 1 1 334.467 4.083 20 10 EICDMO Cc1cc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)ccc1N(C)C ZINC000815114065 1048328920 /nfs/dbraw/zinc/32/89/20/1048328920.db2.gz NMTCAHMMILDCKW-JKSUJKDBSA-N 1 1 327.299 4.077 20 10 EICDMO COc1ccc2ccc(O)c(C[N@@H+](C)C3Cc4ccccc4C3)c2c1 ZINC000919950444 1048333069 /nfs/dbraw/zinc/33/30/69/1048333069.db2.gz NITYOWKBBCYRLC-UHFFFAOYSA-N 1 1 333.431 4.153 20 10 EICDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(N(C)C)c(C)c2)o1 ZINC000815094395 1048341029 /nfs/dbraw/zinc/34/10/29/1048341029.db2.gz KQUGVWLILWYUOU-LJQANCHMSA-N 1 1 328.456 4.138 20 10 EICDMO CCOc1c(F)cc(C[N@@H+](CC)Cc2ccc(N(C)C)cc2)cc1F ZINC001144031375 1048363117 /nfs/dbraw/zinc/36/31/17/1048363117.db2.gz CPNAHUAQCKVIHC-UHFFFAOYSA-N 1 1 348.437 4.452 20 10 EICDMO Cc1ccccc1C(C)(C)[NH2+]Cc1cccc(Br)c1O ZINC000815150580 1048369779 /nfs/dbraw/zinc/36/97/79/1048369779.db2.gz AYESXOUWWISTMO-UHFFFAOYSA-N 1 1 334.257 4.488 20 10 EICDMO Cc1cccc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)c1O ZINC000809699529 1048463093 /nfs/dbraw/zinc/46/30/93/1048463093.db2.gz SNRCOKXIWFNHHU-QFIPXVFZSA-N 1 1 347.458 4.436 20 10 EICDMO COCC(C)(C)C[N@@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000809731686 1048481701 /nfs/dbraw/zinc/48/17/01/1048481701.db2.gz NRKRBOWQAQCOSH-UHFFFAOYSA-N 1 1 330.472 4.020 20 10 EICDMO Cc1ccccc1C[N@@H+](Cc1cccnc1)Cc1cc(F)ccc1O ZINC000809735507 1048483164 /nfs/dbraw/zinc/48/31/64/1048483164.db2.gz JMSJXCOQJOPUOG-UHFFFAOYSA-N 1 1 336.410 4.437 20 10 EICDMO CN(C)c1ccc(C[N@H+](Cc2ccco2)Cc2cccc(O)c2)cc1 ZINC000809731933 1048484298 /nfs/dbraw/zinc/48/42/98/1048484298.db2.gz XRVHTSWLOKHWTG-UHFFFAOYSA-N 1 1 336.435 4.254 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2ccco2)Cc2cccc(O)c2)cc1 ZINC000809731933 1048484308 /nfs/dbraw/zinc/48/43/08/1048484308.db2.gz XRVHTSWLOKHWTG-UHFFFAOYSA-N 1 1 336.435 4.254 20 10 EICDMO Cc1ccc(O)c(C[N@@H+](CCc2ccccc2)Cc2cccnc2)c1 ZINC000809735598 1048484650 /nfs/dbraw/zinc/48/46/50/1048484650.db2.gz LPIONRLAAGMUNF-UHFFFAOYSA-N 1 1 332.447 4.341 20 10 EICDMO COc1cc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000844745272 1048485060 /nfs/dbraw/zinc/48/50/60/1048485060.db2.gz AJTBEYHHBPMKTQ-GOSISDBHSA-N 1 1 339.426 4.320 20 10 EICDMO C[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000809716006 1048496319 /nfs/dbraw/zinc/49/63/19/1048496319.db2.gz PGELWEISHJWUKH-XMSQKQJNSA-N 1 1 336.479 4.106 20 10 EICDMO C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2cccc(Cl)c2[O-])CC1 ZINC000809766910 1048498420 /nfs/dbraw/zinc/49/84/20/1048498420.db2.gz WAFDTLFPSCWOOM-UHFFFAOYSA-N 1 1 344.886 4.142 20 10 EICDMO C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2cccc(Cl)c2[O-])CC1 ZINC000809766910 1048498431 /nfs/dbraw/zinc/49/84/31/1048498431.db2.gz WAFDTLFPSCWOOM-UHFFFAOYSA-N 1 1 344.886 4.142 20 10 EICDMO C[C@H]1[C@@H](N2CCCC2)CC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000809724597 1048499616 /nfs/dbraw/zinc/49/96/16/1048499616.db2.gz RCGSMAGYWWCPDI-UWJYYQICSA-N 1 1 336.479 4.118 20 10 EICDMO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc(-c2ccccc2)ccc1O ZINC000809724597 1048499626 /nfs/dbraw/zinc/49/96/26/1048499626.db2.gz RCGSMAGYWWCPDI-UWJYYQICSA-N 1 1 336.479 4.118 20 10 EICDMO C[C@@H]([NH2+]CCOc1ccccc1)c1cccc(C(F)(F)F)c1O ZINC000815554053 1048505113 /nfs/dbraw/zinc/50/51/13/1048505113.db2.gz QJJGFNGAOHYBSG-GFCCVEGCSA-N 1 1 325.330 4.141 20 10 EICDMO Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815579134 1048518942 /nfs/dbraw/zinc/51/89/42/1048518942.db2.gz FPKGIYMBIYPTER-WBMJQRKESA-N 1 1 339.357 4.104 20 10 EICDMO CCCN(CCC)c1ccc(C[N@H+]2CC[C@@H](c3nccn3C)C2)cc1 ZINC000809757680 1048520913 /nfs/dbraw/zinc/52/09/13/1048520913.db2.gz QVWVUQKROMBVFF-LJQANCHMSA-N 1 1 340.515 4.036 20 10 EICDMO CC(C)n1ccc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)n1 ZINC000815583045 1048522885 /nfs/dbraw/zinc/52/28/85/1048522885.db2.gz VRKWAEBAQQRVQJ-NSHDSACASA-N 1 1 327.350 4.039 20 10 EICDMO CC[N@@H+](Cc1cc(Br)cc(C)c1O)[C@@H](C)c1cccnc1 ZINC000809766495 1048524656 /nfs/dbraw/zinc/52/46/56/1048524656.db2.gz YZTWBVGLSOCFOH-ZDUSSCGKSA-N 1 1 349.272 4.441 20 10 EICDMO C[C@@H]([NH2+][C@@H](CO)C1CCCCC1)c1cccc(C(F)(F)F)c1O ZINC000815595142 1048529850 /nfs/dbraw/zinc/52/98/50/1048529850.db2.gz ISESEQYCKJZLPF-ABAIWWIYSA-N 1 1 331.378 4.003 20 10 EICDMO COc1cc(F)cc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)c1 ZINC000815599922 1048533135 /nfs/dbraw/zinc/53/31/35/1048533135.db2.gz GAKZRRJJRAAJEK-JTQLQIEISA-N 1 1 343.320 4.410 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1cccc(C(F)(F)F)c1O ZINC000815615752 1048542230 /nfs/dbraw/zinc/54/22/30/1048542230.db2.gz WPYAWJFYLVNAMW-VHSXEESVSA-N 1 1 328.309 4.357 20 10 EICDMO C[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1cccc(C(F)(F)F)c1O ZINC000815617867 1048543570 /nfs/dbraw/zinc/54/35/70/1048543570.db2.gz XBTDOHYFKIGSKZ-GOPGUHFVSA-N 1 1 343.389 4.267 20 10 EICDMO CCc1nc(C)c(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)o1 ZINC000815629039 1048552494 /nfs/dbraw/zinc/55/24/94/1048552494.db2.gz QYZUGIBVFVWJEQ-VIFPVBQESA-N 1 1 328.334 4.121 20 10 EICDMO CC(C)[N@H+](Cc1cc(C(C)(C)C)on1)Cc1ccc(N(C)C)cc1 ZINC000809935055 1048567057 /nfs/dbraw/zinc/56/70/57/1048567057.db2.gz BEYXYJJCRBLRAF-UHFFFAOYSA-N 1 1 329.488 4.449 20 10 EICDMO CC(C)[N@@H+](Cc1cc(C(C)(C)C)on1)Cc1ccc(N(C)C)cc1 ZINC000809935055 1048567077 /nfs/dbraw/zinc/56/70/77/1048567077.db2.gz BEYXYJJCRBLRAF-UHFFFAOYSA-N 1 1 329.488 4.449 20 10 EICDMO CC[C@@]1(C[NH2+][C@H](C)c2ccc(F)cc2O)OCCc2ccccc21 ZINC000810243776 1048726971 /nfs/dbraw/zinc/72/69/71/1048726971.db2.gz UEHKQEQFHLNIEK-VLIAUNLRSA-N 1 1 329.415 4.060 20 10 EICDMO COc1ccc(C[N@@H+](C)Cc2ccc3ccccc3c2O)cc1OC ZINC000816482086 1048809951 /nfs/dbraw/zinc/80/99/51/1048809951.db2.gz UGNSVAFECXCBMZ-UHFFFAOYSA-N 1 1 337.419 4.195 20 10 EICDMO Oc1c(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)ccc2ccccc21 ZINC000816491798 1048814519 /nfs/dbraw/zinc/81/45/19/1048814519.db2.gz ZAPJQGYMPWNZJH-HNNXBMFYSA-N 1 1 339.357 4.089 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)Cc1ccccc1-c1ccnn1C ZINC000816499420 1048820446 /nfs/dbraw/zinc/82/04/46/1048820446.db2.gz PYZWGJUXVSLDRK-UHFFFAOYSA-N 1 1 335.451 4.205 20 10 EICDMO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc(Cl)c(F)cc1O)CCC2 ZINC000816510521 1048822955 /nfs/dbraw/zinc/82/29/55/1048822955.db2.gz YCENIHJHXMVFDI-AWEZNQCLSA-N 1 1 340.851 4.459 20 10 EICDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc(Cl)c(F)cc1O)CCC2 ZINC000816510521 1048822959 /nfs/dbraw/zinc/82/29/59/1048822959.db2.gz YCENIHJHXMVFDI-AWEZNQCLSA-N 1 1 340.851 4.459 20 10 EICDMO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1ccc3ccccc3c1O)C2 ZINC000816512503 1048823450 /nfs/dbraw/zinc/82/34/50/1048823450.db2.gz LJKAWOSLKPTUHZ-UHFFFAOYSA-N 1 1 334.375 4.012 20 10 EICDMO C[NH+](C)CCCC1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816515934 1048824734 /nfs/dbraw/zinc/82/47/34/1048824734.db2.gz PLTYJXNVHROBCB-UHFFFAOYSA-N 1 1 326.484 4.099 20 10 EICDMO COc1ccc([C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C2CC2)cc1 ZINC000816530820 1048825794 /nfs/dbraw/zinc/82/57/94/1048825794.db2.gz WFABPFDPXZJKDR-SFHVURJKSA-N 1 1 335.806 4.434 20 10 EICDMO COc1cccc(F)c1[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816551071 1048827956 /nfs/dbraw/zinc/82/79/56/1048827956.db2.gz NXNYIYCOCPNSGC-VIFPVBQESA-N 1 1 327.758 4.183 20 10 EICDMO Oc1c(C[N@H+]2CC[C@@H](COc3ccccc3)C2)ccc2ccccc21 ZINC000816566090 1048837071 /nfs/dbraw/zinc/83/70/71/1048837071.db2.gz LCZNJBYYJMBMTQ-QGZVFWFLSA-N 1 1 333.431 4.446 20 10 EICDMO CSCc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816608850 1048843067 /nfs/dbraw/zinc/84/30/67/1048843067.db2.gz LIWRQEBUMWDBHE-UHFFFAOYSA-N 1 1 325.836 4.338 20 10 EICDMO COC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1cccc(Cl)c1 ZINC000816613653 1048843392 /nfs/dbraw/zinc/84/33/92/1048843392.db2.gz AYUBGLPMHNNYNM-OAHLLOKOSA-N 1 1 344.213 4.315 20 10 EICDMO COC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1cccc(Cl)c1 ZINC000816613652 1048843811 /nfs/dbraw/zinc/84/38/11/1048843811.db2.gz AYUBGLPMHNNYNM-HNNXBMFYSA-N 1 1 344.213 4.315 20 10 EICDMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@@H]1OCCc2sccc21 ZINC000816616851 1048845805 /nfs/dbraw/zinc/84/58/05/1048845805.db2.gz HUBFRNSUDZDEMP-ABKXIKBNSA-N 1 1 341.835 4.038 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000816657408 1048848460 /nfs/dbraw/zinc/84/84/60/1048848460.db2.gz RBNMQDACWQXYIE-QFIPXVFZSA-N 1 1 349.474 4.450 20 10 EICDMO C[C@@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000817987210 1049080865 /nfs/dbraw/zinc/08/08/65/1049080865.db2.gz YHBIBALJIAECOQ-QUCCMNQESA-N 1 1 341.543 4.392 20 10 EICDMO C[N@@H+](Cc1ccccc1O)[C@H]1CCc2ccc(Br)cc2C1 ZINC001170885321 1049082694 /nfs/dbraw/zinc/08/26/94/1049082694.db2.gz MBNRJUBYYDXZPN-KRWDZBQOSA-N 1 1 346.268 4.144 20 10 EICDMO Cc1cnn([C@H]2CC[N@@H+](Cc3cc(-c4ccccc4)ccc3O)C2)c1 ZINC000811518902 1049105401 /nfs/dbraw/zinc/10/54/01/1049105401.db2.gz RBGZTRFDXQZQMY-FQEVSTJZSA-N 1 1 333.435 4.011 20 10 EICDMO Cc1ccc(CC[C@@H](C)[N@H+]2CCCc3cc(O)c(O)cc3C2)cc1 ZINC001171681326 1049776861 /nfs/dbraw/zinc/77/68/61/1049776861.db2.gz DZMDHMRDEPDTNF-MRXNPFEDSA-N 1 1 325.452 4.176 20 10 EICDMO CC[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC001171777857 1049797169 /nfs/dbraw/zinc/79/71/69/1049797169.db2.gz HOERJOWHBGUERO-IBGZPJMESA-N 1 1 330.516 4.375 20 10 EICDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCCC(F)(F)C2)c1 ZINC000813872304 1049828499 /nfs/dbraw/zinc/82/84/99/1049828499.db2.gz BLSJKEIXLOCCSO-OLZOCXBDSA-N 1 1 341.398 4.045 20 10 EICDMO C[C@H]([NH2+][C@@H](C)[C@H]1OCCc2sccc21)c1cc(F)cc(F)c1O ZINC000813885804 1049831854 /nfs/dbraw/zinc/83/18/54/1049831854.db2.gz XTJVBCOFIMTQMD-FJHFEUQMSA-N 1 1 339.407 4.085 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)Cc2cc3cc(Cl)cnc3o2)cc1 ZINC000823371832 1049842142 /nfs/dbraw/zinc/84/21/42/1049842142.db2.gz MCGJDANCNGFUCS-UHFFFAOYSA-N 1 1 329.831 4.179 20 10 EICDMO CN(Cc1cccs1)c1ccc(C[N@@H+](C)CC2CCOCC2)cc1 ZINC000823444702 1049847984 /nfs/dbraw/zinc/84/79/84/1049847984.db2.gz UBUPFDBUGZNPON-UHFFFAOYSA-N 1 1 344.524 4.243 20 10 EICDMO Cc1nc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c(C)s1 ZINC000772875132 1049870976 /nfs/dbraw/zinc/87/09/76/1049870976.db2.gz KHXRFVYOOLIMEK-KGLIPLIRSA-N 1 1 345.512 4.008 20 10 EICDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(Br)ccc1O ZINC001203635810 1050288578 /nfs/dbraw/zinc/28/85/78/1050288578.db2.gz HHLHOMCVIIIQAX-GFCCVEGCSA-N 1 1 332.241 4.274 20 10 EICDMO COc1c(O)c(C[NH2+][C@H](c2ccccc2C)C(C)C)ccc1[N+](=O)[O-] ZINC000775014041 1050314048 /nfs/dbraw/zinc/31/40/48/1050314048.db2.gz XXMYIYUWNIAAEH-KRWDZBQOSA-N 1 1 344.411 4.104 20 10 EICDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173229789 1050357277 /nfs/dbraw/zinc/35/72/77/1050357277.db2.gz ACIVDHZXZPYLPR-INIZCTEOSA-N 1 1 341.455 4.114 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000773753366 1050509343 /nfs/dbraw/zinc/50/93/43/1050509343.db2.gz HSVPKESLZQCUFR-OALUTQOASA-N 1 1 344.524 4.292 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCC23CCCCC3)c(Br)c1 ZINC001237065344 1050617529 /nfs/dbraw/zinc/61/75/29/1050617529.db2.gz NBULGKAWSRGLRO-UHFFFAOYSA-N 1 1 340.261 4.072 20 10 EICDMO CC(C)c1ncc(C[NH2+]Cc2cccc(Br)c2O)s1 ZINC000775150760 1050638378 /nfs/dbraw/zinc/63/83/78/1050638378.db2.gz AFJXPTUWNAHWBD-UHFFFAOYSA-N 1 1 341.274 4.024 20 10 EICDMO CC(C)Cn1nccc1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC001179844870 1050798023 /nfs/dbraw/zinc/79/80/23/1050798023.db2.gz FIZHLQJVCWBDOR-UHFFFAOYSA-N 1 1 340.515 4.161 20 10 EICDMO CC(C)Cn1nccc1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC001179844870 1050798037 /nfs/dbraw/zinc/79/80/37/1050798037.db2.gz FIZHLQJVCWBDOR-UHFFFAOYSA-N 1 1 340.515 4.161 20 10 EICDMO Cc1cc(N(C)C)ccc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001179913941 1050833593 /nfs/dbraw/zinc/83/35/93/1050833593.db2.gz NUBXQZVAXYMQPE-UHFFFAOYSA-N 1 1 339.439 4.134 20 10 EICDMO CC[C@@H]1CCCC[C@@H]1C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC001179969931 1050836874 /nfs/dbraw/zinc/83/68/74/1050836874.db2.gz PLZCYWKSARZUHB-RTBURBONSA-N 1 1 330.516 4.424 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H]2CC(C)C)c1 ZINC001180129502 1050881394 /nfs/dbraw/zinc/88/13/94/1050881394.db2.gz UTOCAMRLEUDRDH-AWEZNQCLSA-N 1 1 326.278 4.474 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H]2CC(C)C)c1 ZINC001180129502 1050881399 /nfs/dbraw/zinc/88/13/99/1050881399.db2.gz UTOCAMRLEUDRDH-AWEZNQCLSA-N 1 1 326.278 4.474 20 10 EICDMO COc1cc(C[N@@H+](C)C[C@H](C)c2nccs2)c(O)c(C(C)(C)C)c1 ZINC000182844045 1050858028 /nfs/dbraw/zinc/85/80/28/1050858028.db2.gz IVWROIFIYRSXMC-ZDUSSCGKSA-N 1 1 348.512 4.390 20 10 EICDMO COc1cc(C)c(C[N@H+]2CCC[C@@H]2CCc2ccccc2)c(O)c1 ZINC001180043148 1050864576 /nfs/dbraw/zinc/86/45/76/1050864576.db2.gz OTBPJXKVTFTOAG-GOSISDBHSA-N 1 1 325.452 4.306 20 10 EICDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccc(C)cc1O ZINC001180067904 1050873430 /nfs/dbraw/zinc/87/34/30/1050873430.db2.gz HGBJDWKQRPXBGM-IBGZPJMESA-N 1 1 335.451 4.407 20 10 EICDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)c(F)cc2[O-])C12CCCCC2 ZINC001180098853 1050886210 /nfs/dbraw/zinc/88/62/10/1050886210.db2.gz PUNVREBDPLIWKT-ROUUACIJSA-N 1 1 339.426 4.230 20 10 EICDMO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(F)c(F)cc2O)C12CCCCC2 ZINC001180098853 1050886219 /nfs/dbraw/zinc/88/62/19/1050886219.db2.gz PUNVREBDPLIWKT-ROUUACIJSA-N 1 1 339.426 4.230 20 10 EICDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)c(F)cc2O)C12CCCCC2 ZINC001180098853 1050886222 /nfs/dbraw/zinc/88/62/22/1050886222.db2.gz PUNVREBDPLIWKT-ROUUACIJSA-N 1 1 339.426 4.230 20 10 EICDMO Cc1ccc(C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)c(O)c1 ZINC001180194882 1050928327 /nfs/dbraw/zinc/92/83/27/1050928327.db2.gz NAAUCZFYXRLMOE-TZIWHRDSSA-N 1 1 325.452 4.300 20 10 EICDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@H](COc3ccccc3)C2)cc1 ZINC001180318144 1050949121 /nfs/dbraw/zinc/94/91/21/1050949121.db2.gz XIYCVTLKLYVQRB-YJJPMGAVSA-N 1 1 336.479 4.167 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)cc1Cl ZINC001180665308 1051059532 /nfs/dbraw/zinc/05/95/32/1051059532.db2.gz MRSHKULQFSLNBH-GOSISDBHSA-N 1 1 345.870 4.188 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)cc1Cl ZINC001180665308 1051059541 /nfs/dbraw/zinc/05/95/41/1051059541.db2.gz MRSHKULQFSLNBH-GOSISDBHSA-N 1 1 345.870 4.188 20 10 EICDMO CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001180820972 1051085145 /nfs/dbraw/zinc/08/51/45/1051085145.db2.gz UUPFYWWWYPDHFC-UHFFFAOYSA-N 1 1 338.923 4.380 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)C2CCC(F)CC2)c1O ZINC001174932447 1051256889 /nfs/dbraw/zinc/25/68/89/1051256889.db2.gz BSMMHJBUMYGKEO-CKQAKLJMSA-N 1 1 327.827 4.255 20 10 EICDMO Oc1cc(Cl)ccc1C[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC001181740900 1051292525 /nfs/dbraw/zinc/29/25/25/1051292525.db2.gz PSGXEOLRFFRIMQ-UHFFFAOYSA-N 1 1 332.806 4.388 20 10 EICDMO Cc1nc(CC[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)cs1 ZINC000774114761 1051458843 /nfs/dbraw/zinc/45/88/43/1051458843.db2.gz IUROUFNXVOMBSP-MRVPVSSYSA-N 1 1 331.268 4.357 20 10 EICDMO C[C@@H]([NH2+]CC1(CCO)CCCC1)c1cc(Cl)c(Cl)cc1O ZINC000774204923 1051499554 /nfs/dbraw/zinc/49/95/54/1051499554.db2.gz VDYZCUOSLDGESK-LLVKDONJSA-N 1 1 332.271 4.292 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CCc3ccccc3C2(C)C)c1O ZINC001182509030 1051622249 /nfs/dbraw/zinc/62/22/49/1051622249.db2.gz QFLDZOHXLWFBJO-UHFFFAOYSA-N 1 1 331.843 4.348 20 10 EICDMO COc1cc(O)c(C[N@H+]2CC[C@@H]([C@H]3CCCC3(C)C)C2)cc1OC ZINC001182534578 1051634249 /nfs/dbraw/zinc/63/42/49/1051634249.db2.gz WPLVVMHNXZSPAZ-GDBMZVCRSA-N 1 1 333.472 4.058 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C[C@@H](O)c2ccc(Cl)cc2)C2CC2)cc1 ZINC000774560576 1051735079 /nfs/dbraw/zinc/73/50/79/1051735079.db2.gz ZRQXEDQGHXUNJD-HXUWFJFHSA-N 1 1 344.886 4.104 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@]2(C)C(=O)OC(C)(C)C)cc1Cl ZINC001183181780 1051802817 /nfs/dbraw/zinc/80/28/17/1051802817.db2.gz YEDQOXQIHWYFTM-SFHVURJKSA-N 1 1 339.863 4.050 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCC[C@@]2(C)C(=O)OC(C)(C)C)cc1Cl ZINC001183181780 1051802820 /nfs/dbraw/zinc/80/28/20/1051802820.db2.gz YEDQOXQIHWYFTM-SFHVURJKSA-N 1 1 339.863 4.050 20 10 EICDMO Cc1cc(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)ccc1N(C)C ZINC001193012432 1051853565 /nfs/dbraw/zinc/85/35/65/1051853565.db2.gz ROJLEYIKMCCNNG-LJQANCHMSA-N 1 1 348.494 4.075 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC001183711400 1051886381 /nfs/dbraw/zinc/88/63/81/1051886381.db2.gz UEZLJCFJPUDVRT-MLGOLLRUSA-N 1 1 341.760 4.323 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC001183887562 1051914227 /nfs/dbraw/zinc/91/42/27/1051914227.db2.gz ZGDUTHQUFRDGMS-LLVKDONJSA-N 1 1 340.851 4.096 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC001183887562 1051914237 /nfs/dbraw/zinc/91/42/37/1051914237.db2.gz ZGDUTHQUFRDGMS-LLVKDONJSA-N 1 1 340.851 4.096 20 10 EICDMO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)cc1 ZINC000774835858 1052184430 /nfs/dbraw/zinc/18/44/30/1052184430.db2.gz OCXKMRASGQLHRH-GFCCVEGCSA-N 1 1 347.842 4.498 20 10 EICDMO CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)c1 ZINC000185045267 1052378420 /nfs/dbraw/zinc/37/84/20/1052378420.db2.gz KQZISDDWPCVPHI-ZDUSSCGKSA-N 1 1 330.403 4.121 20 10 EICDMO C[N@@H+](Cc1ccccc1O)Cc1ccc(F)c(Br)c1F ZINC001238087036 1052472863 /nfs/dbraw/zinc/47/28/63/1052472863.db2.gz NOVSTHLUCUZJOC-UHFFFAOYSA-N 1 1 342.183 4.065 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1cccc(-n2cccn2)c1 ZINC000185616462 1052662345 /nfs/dbraw/zinc/66/23/45/1052662345.db2.gz RCLNTUGVWLUSKX-KGLIPLIRSA-N 1 1 325.387 4.129 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)cc1 ZINC001194884074 1053147811 /nfs/dbraw/zinc/14/78/11/1053147811.db2.gz XFYBJOVWMXREGU-NHCUHLMSSA-N 1 1 338.495 4.431 20 10 EICDMO C[C@@H](NCC1([NH+](C)C)CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000764652986 1053245026 /nfs/dbraw/zinc/24/50/26/1053245026.db2.gz FFXZITLNHCGAJW-GOSISDBHSA-N 1 1 329.532 4.202 20 10 EICDMO C[C@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)c1ccc(F)cc1O ZINC000850505167 1053262663 /nfs/dbraw/zinc/26/26/63/1053262663.db2.gz NYFFSLAQKSLLKA-ZUZCIYMTSA-N 1 1 335.341 4.072 20 10 EICDMO COc1ccnc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)c1F ZINC000850536582 1053302860 /nfs/dbraw/zinc/30/28/60/1053302860.db2.gz HMZMPSUYCQMQLN-HNNXBMFYSA-N 1 1 343.446 4.070 20 10 EICDMO Cc1cc(Cl)cc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)c1O ZINC000775661941 1053428845 /nfs/dbraw/zinc/42/88/45/1053428845.db2.gz SDWSATSJRICKHC-KRWDZBQOSA-N 1 1 335.831 4.128 20 10 EICDMO CC[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(C)cc1O ZINC000794826704 1053439665 /nfs/dbraw/zinc/43/96/65/1053439665.db2.gz CXCYDADVWZBXHC-FPOVZHCZSA-N 1 1 338.495 4.263 20 10 EICDMO Cc1cccc(C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1O ZINC000775667486 1053457438 /nfs/dbraw/zinc/45/74/38/1053457438.db2.gz JETCMEMDOFYQQK-PZJWPPBQSA-N 1 1 325.452 4.300 20 10 EICDMO COc1ccc(N(C)CC[N@@H+](C)CCc2ccc3ccccc3c2)cc1 ZINC001195788599 1053487424 /nfs/dbraw/zinc/48/74/24/1053487424.db2.gz HSYRNUMTJXEHHV-UHFFFAOYSA-N 1 1 348.490 4.459 20 10 EICDMO COc1cc(C[N@@H+](Cc2ccccc2O)C2CCCCC2)sn1 ZINC000851771255 1053514615 /nfs/dbraw/zinc/51/46/15/1053514615.db2.gz ZUXABGLBNVUALB-UHFFFAOYSA-N 1 1 332.469 4.192 20 10 EICDMO C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C3CCCCC3)cc2)CCN1C ZINC000765446023 1053551701 /nfs/dbraw/zinc/55/17/01/1053551701.db2.gz PEYOMIRFWBLMGB-PKOBYXMFSA-N 1 1 329.532 4.028 20 10 EICDMO COc1ccc(O)c(C[N@H+]2CCS[C@H](C)[C@H]2c2ccccc2)c1 ZINC000775710460 1053642838 /nfs/dbraw/zinc/64/28/38/1053642838.db2.gz KVLHUHDQWZXUDL-KUHUBIRLSA-N 1 1 329.465 4.079 20 10 EICDMO C[N@H+](Cc1ncc(-c2cccc(Cl)c2)o1)Cc1ccccc1O ZINC000111235511 1053666872 /nfs/dbraw/zinc/66/68/72/1053666872.db2.gz HLDNKFTXUNTKMD-UHFFFAOYSA-N 1 1 328.799 4.333 20 10 EICDMO C[N@@H+](Cc1ncc(-c2cccc(Cl)c2)o1)Cc1ccccc1O ZINC000111235511 1053666877 /nfs/dbraw/zinc/66/68/77/1053666877.db2.gz HLDNKFTXUNTKMD-UHFFFAOYSA-N 1 1 328.799 4.333 20 10 EICDMO C[N@@H+](CC1=CCSC1)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000853619308 1053692000 /nfs/dbraw/zinc/69/20/00/1053692000.db2.gz ZVNGCLKKPYGXHT-UHFFFAOYSA-N 1 1 329.465 4.122 20 10 EICDMO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1cc(Cl)c(Cl)cc1O ZINC000866632870 1053811210 /nfs/dbraw/zinc/81/12/10/1053811210.db2.gz CZBHDOQXGJURQO-NOZJJQNGSA-N 1 1 326.227 4.081 20 10 EICDMO C[C@@H]([NH2+]Cc1csc(-c2ccoc2)n1)c1ccc(N(C)C)cc1 ZINC000775834373 1054119934 /nfs/dbraw/zinc/11/99/34/1054119934.db2.gz NDKZXGPMYRNKEP-CYBMUJFWSA-N 1 1 327.453 4.320 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2cccs2)o1)c1ccc(N(C)C)cc1 ZINC000775834188 1054121160 /nfs/dbraw/zinc/12/11/60/1054121160.db2.gz LGAWIWCFBNGUAP-OLZOCXBDSA-N 1 1 342.468 4.276 20 10 EICDMO C[C@H]1C[C@H](C)C[NH+](CCCNCc2ccc(N3CCCCC3)cc2)C1 ZINC001199329190 1054392385 /nfs/dbraw/zinc/39/23/85/1054392385.db2.gz PIDLSDGQBVUVHR-PMACEKPBSA-N 1 1 343.559 4.135 20 10 EICDMO C[C@H]([NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1)c1ccc(F)cc1O ZINC000872116423 1054395709 /nfs/dbraw/zinc/39/57/09/1054395709.db2.gz LQJKOSJUPLXTBE-QMMMGPOBSA-N 1 1 348.727 4.449 20 10 EICDMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccc(C(F)(F)F)nc1 ZINC000872129958 1054403835 /nfs/dbraw/zinc/40/38/35/1054403835.db2.gz CBWQCKDPPBCPKP-UWVGGRQHSA-N 1 1 328.309 4.357 20 10 EICDMO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858100416 1054416887 /nfs/dbraw/zinc/41/68/87/1054416887.db2.gz RAPKUMNXLMZBDM-LLVKDONJSA-N 1 1 338.373 4.029 20 10 EICDMO CN(C)c1cc(F)c(C[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)cc1F ZINC000858115106 1054418897 /nfs/dbraw/zinc/41/88/97/1054418897.db2.gz DBBCNDZHHMVKSW-UXHICEINSA-N 1 1 346.421 4.041 20 10 EICDMO Cc1cnc(C[N@@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)cn1 ZINC000776009345 1054443428 /nfs/dbraw/zinc/44/34/28/1054443428.db2.gz JDKPBBHOWBOWOD-KRWDZBQOSA-N 1 1 333.435 4.254 20 10 EICDMO Cc1ccnc(C[N@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)n1 ZINC000776012022 1054445582 /nfs/dbraw/zinc/44/55/82/1054445582.db2.gz WELFJBATJTVUGA-QGZVFWFLSA-N 1 1 333.435 4.254 20 10 EICDMO Cc1ccnc(C[N@@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)n1 ZINC000776012022 1054445590 /nfs/dbraw/zinc/44/55/90/1054445590.db2.gz WELFJBATJTVUGA-QGZVFWFLSA-N 1 1 333.435 4.254 20 10 EICDMO COc1cccc([C@H](C)[NH2+][C@H](CCc2ccccc2)C(F)F)c1O ZINC000858491383 1054499601 /nfs/dbraw/zinc/49/96/01/1054499601.db2.gz GMRBQTYXPJLGME-XJKSGUPXSA-N 1 1 335.394 4.318 20 10 EICDMO Cc1cc(C[NH2+][C@@H](C)c2cc3n(n2)CCC3)c(C)n1-c1ccccc1 ZINC000858541526 1054512329 /nfs/dbraw/zinc/51/23/29/1054512329.db2.gz BGQSULCDHSVFGE-INIZCTEOSA-N 1 1 334.467 4.088 20 10 EICDMO CC[C@H](C)Oc1cc(C)ccc1C[NH2+]Cc1cc(F)cc(F)c1O ZINC001201424787 1054796147 /nfs/dbraw/zinc/79/61/47/1054796147.db2.gz CTUIXPDBBPXRSL-ZDUSSCGKSA-N 1 1 335.394 4.446 20 10 EICDMO Oc1c(Br)cccc1C[NH2+]Cc1coc2ccccc12 ZINC000776175177 1054803804 /nfs/dbraw/zinc/80/38/04/1054803804.db2.gz MBCJJLIKHIYTCY-UHFFFAOYSA-N 1 1 332.197 4.191 20 10 EICDMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000126032349 1054933065 /nfs/dbraw/zinc/93/30/65/1054933065.db2.gz KSBYVGNHPHGHGE-LBPRGKRZSA-N 1 1 325.364 4.060 20 10 EICDMO Cc1ccc(C[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(O)c1 ZINC000877336570 1055043338 /nfs/dbraw/zinc/04/33/38/1055043338.db2.gz KNAGVWVSEADRNA-AZUAARDMSA-N 1 1 329.415 4.192 20 10 EICDMO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(C)cc3O)n2)cc1 ZINC000877472663 1055058823 /nfs/dbraw/zinc/05/88/23/1055058823.db2.gz YQDLEMCDUFWKEC-CQSZACIVSA-N 1 1 337.423 4.164 20 10 EICDMO Cc1ccc(CCC[N@@H+](Cc2ccco2)Cc2ccccc2O)cn1 ZINC000776266449 1055120221 /nfs/dbraw/zinc/12/02/21/1055120221.db2.gz VPOWHNGZOBDXJA-UHFFFAOYSA-N 1 1 336.435 4.324 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CCOC[C@@H]2c2ccccc2)cc1C(C)C ZINC000743402473 1058979272 /nfs/dbraw/zinc/97/92/72/1058979272.db2.gz JRIZDICHAKLPBH-HXUWFJFHSA-N 1 1 325.452 4.398 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCOC[C@@H]2c2ccccc2)cc1C(C)C ZINC000743402473 1058979300 /nfs/dbraw/zinc/97/93/00/1058979300.db2.gz JRIZDICHAKLPBH-HXUWFJFHSA-N 1 1 325.452 4.398 20 10 EICDMO Oc1ccc2oc3c(c2c1C[N@H+]1CCC2(C1)CCOCC2)CCCC3 ZINC000743405455 1058991027 /nfs/dbraw/zinc/99/10/27/1058991027.db2.gz KQJOXQYMBPTSTA-UHFFFAOYSA-N 1 1 341.451 4.020 20 10 EICDMO Cc1ccc([C@H](O)C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000743839570 1059143649 /nfs/dbraw/zinc/14/36/49/1059143649.db2.gz LXQCKKYCKMSGPY-JOCHJYFZSA-N 1 1 338.495 4.151 20 10 EICDMO C[C@H](CC[NH2+][C@@H](C)c1ccc(F)cc1[O-])[N@@H+](C)Cc1ccccc1 ZINC000379640264 1059707267 /nfs/dbraw/zinc/70/72/67/1059707267.db2.gz BNPDNRQLUQFZLV-CVEARBPZSA-N 1 1 330.447 4.093 20 10 EICDMO COCC[N@@H+](CCc1ccccc1)Cc1c(O)ccc2ccccc21 ZINC000746050918 1059983974 /nfs/dbraw/zinc/98/39/74/1059983974.db2.gz BHDXBOBHTGLNKG-UHFFFAOYSA-N 1 1 335.447 4.237 20 10 EICDMO C[C@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(N2CCCCC2)cc1 ZINC000766476387 1060386606 /nfs/dbraw/zinc/38/66/06/1060386606.db2.gz XVZJYNVSAGCNCE-HFSMHLIXSA-N 1 1 329.532 4.200 20 10 EICDMO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2csc([C@H](C)OC)n2)cc1 ZINC000766528519 1060522963 /nfs/dbraw/zinc/52/29/63/1060522963.db2.gz MFFCESLRFOXYHD-KGLIPLIRSA-N 1 1 333.501 4.157 20 10 EICDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H](O)c1cc(C)cc(C)c1 ZINC001169753929 1060939262 /nfs/dbraw/zinc/93/92/62/1060939262.db2.gz DNGJXNMOVRMBFP-OAQYLSRUSA-N 1 1 327.468 4.345 20 10 EICDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001169753911 1060939408 /nfs/dbraw/zinc/93/94/08/1060939408.db2.gz DEEOVMGUYGZYSR-GOEBONIOSA-N 1 1 331.378 4.104 20 10 EICDMO CCCC[N@H+](Cc1ccccc1O)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001169753913 1060941530 /nfs/dbraw/zinc/94/15/30/1060941530.db2.gz DEEOVMGUYGZYSR-ZBFHGGJFSA-N 1 1 331.378 4.104 20 10 EICDMO CC[C@@H]([NH2+]CCCn1c(C)nc2ccccc21)c1ccc(F)cc1O ZINC000796672826 1019057841 /nfs/dbraw/zinc/05/78/41/1019057841.db2.gz OECNFVQMONHIQL-QGZVFWFLSA-N 1 1 341.430 4.320 20 10 EICDMO CCC[N@H+](Cc1nnc(-c2ccccc2)s1)Cc1ccccc1O ZINC000155290400 1020446408 /nfs/dbraw/zinc/44/64/08/1020446408.db2.gz DMTCGSPBXCKVRT-UHFFFAOYSA-N 1 1 339.464 4.323 20 10 EICDMO CCC[N@@H+](Cc1nnc(-c2ccccc2)s1)Cc1ccccc1O ZINC000155290400 1020446416 /nfs/dbraw/zinc/44/64/16/1020446416.db2.gz DMTCGSPBXCKVRT-UHFFFAOYSA-N 1 1 339.464 4.323 20 10 EICDMO CCN(CC)c1ccc(C[NH2+][C@@H](COC)c2ccc(C)o2)cc1F ZINC000177568073 1020988186 /nfs/dbraw/zinc/98/81/86/1020988186.db2.gz AKEAABSEBUHKFY-KRWDZBQOSA-N 1 1 334.435 4.051 20 10 EICDMO Fc1cc(C[N@H+]2CCC[C@@H]2c2ccsc2)ccc1N1CCOCC1 ZINC000153546640 1021203188 /nfs/dbraw/zinc/20/31/88/1021203188.db2.gz XKPKZINURUAPRU-GOSISDBHSA-N 1 1 346.471 4.061 20 10 EICDMO C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccc(N2CCCCC2)c(F)c1 ZINC000271461081 1022379099 /nfs/dbraw/zinc/37/90/99/1022379099.db2.gz GFJKVHIPIKVREU-KBXCAEBGSA-N 1 1 342.462 4.267 20 10 EICDMO CC[C@H]([NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1)c1ccccc1O ZINC000310942361 1022669619 /nfs/dbraw/zinc/66/96/19/1022669619.db2.gz WOHGNINCJZPJFJ-RBBKRZOGSA-N 1 1 338.495 4.345 20 10 EICDMO CCOc1cccc([C@@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)c1 ZINC000180695411 1022795435 /nfs/dbraw/zinc/79/54/35/1022795435.db2.gz IATGRGRHLYQKRE-GFCCVEGCSA-N 1 1 347.842 4.498 20 10 EICDMO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)c1 ZINC000363858492 1022863463 /nfs/dbraw/zinc/86/34/63/1022863463.db2.gz DSYFEJVMYUUXIF-JLTOFOAXSA-N 1 1 339.414 4.013 20 10 EICDMO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000310807617 1023441620 /nfs/dbraw/zinc/44/16/20/1023441620.db2.gz HZTJGHJQKNHAIZ-BJLQDIEVSA-N 1 1 338.495 4.262 20 10 EICDMO Cc1noc([C@@H]2CCC[N@@H+](Cc3cc(C)cc(C(C)(C)C)c3O)C2)n1 ZINC000122532379 1023588975 /nfs/dbraw/zinc/58/89/75/1023588975.db2.gz NYYQFDNKXGVRLV-OAHLLOKOSA-N 1 1 343.471 4.069 20 10 EICDMO CC[C@@H]([NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1)c1ccccc1O ZINC000364346518 1023656024 /nfs/dbraw/zinc/65/60/24/1023656024.db2.gz IJEZXUWYUAMZRC-YLJYHZDGSA-N 1 1 339.414 4.095 20 10 EICDMO CCC[N@H+](Cc1csc(C(F)(F)F)n1)Cc1ccccc1O ZINC000891853299 1024360086 /nfs/dbraw/zinc/36/00/86/1024360086.db2.gz ICMVJGHRGSKIJZ-UHFFFAOYSA-N 1 1 330.375 4.280 20 10 EICDMO CCC[N@@H+](Cc1csc(C(F)(F)F)n1)Cc1ccccc1O ZINC000891853299 1024360101 /nfs/dbraw/zinc/36/01/01/1024360101.db2.gz ICMVJGHRGSKIJZ-UHFFFAOYSA-N 1 1 330.375 4.280 20 10 EICDMO COc1ccc(C[N@H+]2CCCCC[C@H]2c2ccco2)c(O)c1OC ZINC000892053318 1025520870 /nfs/dbraw/zinc/52/08/70/1025520870.db2.gz UPXZBIQPESTILG-HNNXBMFYSA-N 1 1 331.412 4.120 20 10 EICDMO Oc1c(F)cc(F)cc1C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000894993556 1027688170 /nfs/dbraw/zinc/68/81/70/1027688170.db2.gz JYLJLTUUYMLEPS-LJQANCHMSA-N 1 1 345.389 4.024 20 10 EICDMO Oc1c(F)cc(F)cc1C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000894993556 1027688175 /nfs/dbraw/zinc/68/81/75/1027688175.db2.gz JYLJLTUUYMLEPS-LJQANCHMSA-N 1 1 345.389 4.024 20 10 EICDMO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccc(Br)cc1 ZINC000708450677 1029576503 /nfs/dbraw/zinc/57/65/03/1029576503.db2.gz YBYXVXPNWHBOJJ-SECBINFHSA-N 1 1 342.183 4.284 20 10 EICDMO C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000278733250 1029746640 /nfs/dbraw/zinc/74/66/40/1029746640.db2.gz MYRAFNJPOKVIJY-WDEREUQCSA-N 1 1 330.255 4.451 20 10 EICDMO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000185675643 1030209702 /nfs/dbraw/zinc/20/97/02/1030209702.db2.gz RDEWMZHONOBWQK-ZIAGYGMSSA-N 1 1 339.414 4.437 20 10 EICDMO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000185675626 1030211425 /nfs/dbraw/zinc/21/14/25/1030211425.db2.gz RDEWMZHONOBWQK-KBPBESRZSA-N 1 1 339.414 4.437 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccccc1-n1cccn1 ZINC000185741781 1030222044 /nfs/dbraw/zinc/22/20/44/1030222044.db2.gz BTBDCEQLLZDYIO-KGLIPLIRSA-N 1 1 325.387 4.129 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1cn(-c2ccccc2)nn1 ZINC000186112719 1030247945 /nfs/dbraw/zinc/24/79/45/1030247945.db2.gz DDEOGOBMXACRMW-QWHCGFSZSA-N 1 1 342.830 4.038 20 10 EICDMO Oc1c(Br)cccc1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000527773108 1030852510 /nfs/dbraw/zinc/85/25/10/1030852510.db2.gz OZJHFLKVJNQMBJ-MRXNPFEDSA-N 1 1 347.256 4.181 20 10 EICDMO C[C@H]([NH2+]Cc1ccc2cn(C)nc2c1)c1cccc(C(F)(F)F)c1O ZINC000527962457 1031003470 /nfs/dbraw/zinc/00/34/70/1031003470.db2.gz MRSZWXHVIVQQNS-NSHDSACASA-N 1 1 349.356 4.149 20 10 EICDMO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000310901386 1031096281 /nfs/dbraw/zinc/09/62/81/1031096281.db2.gz MVAMSXCFCWQUQB-AZUAARDMSA-N 1 1 338.495 4.263 20 10 EICDMO Cc1cccc(C[NH+](Cc2cccc(C)n2)Cc2ccccc2O)n1 ZINC000179585556 1031222906 /nfs/dbraw/zinc/22/29/06/1031222906.db2.gz OPLXVZXINGJBHT-UHFFFAOYSA-N 1 1 333.435 4.001 20 10 EICDMO C[S@](=O)c1ccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)cc1 ZINC000093319356 1031861386 /nfs/dbraw/zinc/86/13/86/1031861386.db2.gz FIBUAKGCFPTDFP-XMMPIXPASA-N 1 1 343.492 4.074 20 10 EICDMO CCc1ccc([C@H](COC)[NH2+]Cc2ccc(N(CC)CC)cc2)o1 ZINC000236932719 1033473838 /nfs/dbraw/zinc/47/38/38/1033473838.db2.gz MUPMCAWZDUXTAS-IBGZPJMESA-N 1 1 330.472 4.166 20 10 EICDMO CCc1cc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000749797618 1034748508 /nfs/dbraw/zinc/74/85/08/1034748508.db2.gz BTEZPMDUZITZSZ-IAGOWNOFSA-N 1 1 331.500 4.111 20 10 EICDMO Cc1cc(O)c(C[N@@H+](CCc2ccccn2)Cc2ccncc2)cc1C ZINC000280590271 1035302018 /nfs/dbraw/zinc/30/20/18/1035302018.db2.gz NSZOXRNACNJSAF-UHFFFAOYSA-N 1 1 347.462 4.044 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c1O ZINC000761202799 1036029881 /nfs/dbraw/zinc/02/98/81/1036029881.db2.gz MLLLYZNVUIWAJW-KRWDZBQOSA-N 1 1 346.858 4.131 20 10 EICDMO C[C@@H]([NH2+]Cc1cc(Br)ccc1F)c1ccc(F)cc1O ZINC000062748111 1038240087 /nfs/dbraw/zinc/24/00/87/1038240087.db2.gz XURGAYWOBQXKJQ-SECBINFHSA-N 1 1 342.183 4.284 20 10 EICDMO CC(C)[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)c1cnn(C)c1 ZINC000927070978 1039835778 /nfs/dbraw/zinc/83/57/78/1039835778.db2.gz RJYWRECDTJZAPI-NHYWBVRUSA-N 1 1 341.377 4.192 20 10 EICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccccc2)C1 ZINC000435659494 1040514572 /nfs/dbraw/zinc/51/45/72/1040514572.db2.gz KGYNCJIUYLEPSH-UHFFFAOYSA-N 1 1 347.462 4.047 20 10 EICDMO CC(C)COC[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccco1 ZINC000152579162 1042904576 /nfs/dbraw/zinc/90/45/76/1042904576.db2.gz ZOLAFSLHXSXZMZ-LPHOPBHVSA-N 1 1 330.472 4.410 20 10 EICDMO C[C@@H](CNCc1ccc(N2CCCCC2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000727643652 1043254941 /nfs/dbraw/zinc/25/49/41/1043254941.db2.gz BCZZHMPJYMETDS-MOPGFXCFSA-N 1 1 329.532 4.029 20 10 EICDMO C[C@@H](CNCc1ccc(N2CCCCC2)cc1)[N@H+]1CCCC[C@H]1C ZINC000727643652 1043254949 /nfs/dbraw/zinc/25/49/49/1043254949.db2.gz BCZZHMPJYMETDS-MOPGFXCFSA-N 1 1 329.532 4.029 20 10 EICDMO CCC[N@@H+](Cc1nc2cc(F)ccc2n1CC)Cc1ccccc1O ZINC000727830645 1043312549 /nfs/dbraw/zinc/31/25/49/1043312549.db2.gz FLCZOSMRPCHBAZ-UHFFFAOYSA-N 1 1 341.430 4.313 20 10 EICDMO Oc1ccccc1C[N@@H+](CCOc1ccccc1F)C1CCCC1 ZINC000731847120 1043834798 /nfs/dbraw/zinc/83/47/98/1043834798.db2.gz DGSUYZTYKMOBGY-UHFFFAOYSA-N 1 1 329.415 4.355 20 10 EICDMO COC(=O)c1cccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000732205020 1043887923 /nfs/dbraw/zinc/88/79/23/1043887923.db2.gz JAKGYALRNJBRBI-UHFFFAOYSA-N 1 1 339.435 4.124 20 10 EICDMO C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000733300157 1044169039 /nfs/dbraw/zinc/16/90/39/1044169039.db2.gz RZLKFIMACBJLSO-JOCHJYFZSA-N 1 1 332.447 4.494 20 10 EICDMO CCc1cc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)on1 ZINC000766137233 1044321585 /nfs/dbraw/zinc/32/15/85/1044321585.db2.gz UXTHVHXXPZUNIB-AWEZNQCLSA-N 1 1 331.435 4.217 20 10 EICDMO Oc1ccccc1C[N@@H+](CCSc1ccccc1)C[C@H]1CCCO1 ZINC000735494324 1044832878 /nfs/dbraw/zinc/83/28/78/1044832878.db2.gz XXYQEUXZSRFAPD-GOSISDBHSA-N 1 1 343.492 4.166 20 10 EICDMO CCCN(CCC)c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000915682840 1045447849 /nfs/dbraw/zinc/44/78/49/1045447849.db2.gz SAVUBUVMSYZVMF-FPOVZHCZSA-N 1 1 329.532 4.029 20 10 EICDMO Cc1cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)n1-c1cccc(C)c1 ZINC000915683211 1045447615 /nfs/dbraw/zinc/44/76/15/1045447615.db2.gz PDZIYIFKXAZKBO-RTWAWAEBSA-N 1 1 337.511 4.119 20 10 EICDMO Cc1cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)n1-c1cccc(C)c1 ZINC000915683211 1045447619 /nfs/dbraw/zinc/44/76/19/1045447619.db2.gz PDZIYIFKXAZKBO-RTWAWAEBSA-N 1 1 337.511 4.119 20 10 EICDMO CCCN(CCC)c1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000915682840 1045447854 /nfs/dbraw/zinc/44/78/54/1045447854.db2.gz SAVUBUVMSYZVMF-FPOVZHCZSA-N 1 1 329.532 4.029 20 10 EICDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3cccc(Cl)c3)C1)CCC2 ZINC000767500302 1045546244 /nfs/dbraw/zinc/54/62/44/1045546244.db2.gz DSGSMAGHVZFSJH-FQEVSTJZSA-N 1 1 343.854 4.108 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CCO[C@H](c3cccc(Cl)c3)C1)CCC2 ZINC000767500302 1045546257 /nfs/dbraw/zinc/54/62/57/1045546257.db2.gz DSGSMAGHVZFSJH-FQEVSTJZSA-N 1 1 343.854 4.108 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000790954742 1045634143 /nfs/dbraw/zinc/63/41/43/1045634143.db2.gz XIXMLVRMORDXOE-AWEZNQCLSA-N 1 1 339.769 4.327 20 10 EICDMO CCc1cccc2c1OCC[C@@H]2[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790959470 1045637282 /nfs/dbraw/zinc/63/72/82/1045637282.db2.gz GBGHNADDHWCNJJ-HNNXBMFYSA-N 1 1 335.806 4.361 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1cccc(Br)c1 ZINC000790963047 1045637357 /nfs/dbraw/zinc/63/73/57/1045637357.db2.gz XHJJYYYLUQHAAH-UHFFFAOYSA-N 1 1 344.611 4.237 20 10 EICDMO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000790960025 1045638285 /nfs/dbraw/zinc/63/82/85/1045638285.db2.gz RQWUUPUAXKNKEF-ZFWWWQNUSA-N 1 1 348.849 4.110 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000790986823 1045645209 /nfs/dbraw/zinc/64/52/09/1045645209.db2.gz WNEFARBYZXQZTC-UHFFFAOYSA-N 1 1 349.833 4.105 20 10 EICDMO CC[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)Cc1ccc(N(C)C)cc1 ZINC000768131983 1045724210 /nfs/dbraw/zinc/72/42/10/1045724210.db2.gz FBWYQUGDIPCWAI-UHFFFAOYSA-N 1 1 342.531 4.343 20 10 EICDMO CC[C@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)c1ccc(F)cc1O ZINC000796694857 1045729179 /nfs/dbraw/zinc/72/91/79/1045729179.db2.gz LMOUXCAACXDERT-SFHVURJKSA-N 1 1 344.430 4.489 20 10 EICDMO CCOc1cccc(C[N@@H+](CC)[C@H](C)Cc2ccc(OC)cc2)c1O ZINC000768249289 1045763702 /nfs/dbraw/zinc/76/37/02/1045763702.db2.gz QJWDPNLUGDSZLG-MRXNPFEDSA-N 1 1 343.467 4.253 20 10 EICDMO CCOc1cccc(C[N@H+]2CCSC[C@H]2c2ccccc2)c1O ZINC000768249610 1045765027 /nfs/dbraw/zinc/76/50/27/1045765027.db2.gz VYJUEWQWWMNVQW-KRWDZBQOSA-N 1 1 329.465 4.081 20 10 EICDMO CCOc1cccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)c1O ZINC000768256241 1045767645 /nfs/dbraw/zinc/76/76/45/1045767645.db2.gz AERNTLXFIVCPKH-UHFFFAOYSA-N 1 1 340.467 4.022 20 10 EICDMO COc1cccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)c1OC ZINC000768354352 1045795666 /nfs/dbraw/zinc/79/56/66/1045795666.db2.gz YXLGJCDDFHZDNU-UHFFFAOYSA-N 1 1 342.483 4.180 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2c2cccc(C)c2C)cc1OC ZINC000768447013 1045808484 /nfs/dbraw/zinc/80/84/84/1045808484.db2.gz QHEWDCQNGNUPDE-SFHVURJKSA-N 1 1 341.451 4.363 20 10 EICDMO COc1cc(C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)c(O)cc1C ZINC000768447789 1045808954 /nfs/dbraw/zinc/80/89/54/1045808954.db2.gz PTANXUCIPRYYBI-IBGZPJMESA-N 1 1 340.467 4.112 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2c2cc(C)ccc2C)cc1OC ZINC000768462090 1045810685 /nfs/dbraw/zinc/81/06/85/1045810685.db2.gz JBZUNPBDCIEUSF-SFHVURJKSA-N 1 1 341.451 4.363 20 10 EICDMO COc1cc(O)c(C[N@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)cc1OC ZINC000768465749 1045810946 /nfs/dbraw/zinc/81/09/46/1045810946.db2.gz KGOZQDGNEMXTRK-CRAIPNDOSA-N 1 1 341.451 4.035 20 10 EICDMO CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cccc(OC)c1O ZINC000768512848 1045813278 /nfs/dbraw/zinc/81/32/78/1045813278.db2.gz PZDNPUDQXJDHLU-UHFFFAOYSA-N 1 1 339.357 4.442 20 10 EICDMO COCC[N@@H+](Cc1ccco1)Cc1cc(-c2ccccc2)ccc1O ZINC000768585608 1045824078 /nfs/dbraw/zinc/82/40/78/1045824078.db2.gz BVOZXWJNSYWEDR-UHFFFAOYSA-N 1 1 337.419 4.301 20 10 EICDMO C[N@@H+](Cc1ccc(OC(F)F)c(Cl)c1)Cc1ccccc1O ZINC000768874066 1045851654 /nfs/dbraw/zinc/85/16/54/1045851654.db2.gz ZNBSTJBENHDPBN-UHFFFAOYSA-N 1 1 327.758 4.279 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000768889800 1045853857 /nfs/dbraw/zinc/85/38/57/1045853857.db2.gz CAXPQBIKIRQKHD-SFHVURJKSA-N 1 1 333.435 4.162 20 10 EICDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000768919913 1045859902 /nfs/dbraw/zinc/85/99/02/1045859902.db2.gz ZVRZSBZPGDHXGF-KRWDZBQOSA-N 1 1 341.842 4.269 20 10 EICDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000768919913 1045859895 /nfs/dbraw/zinc/85/98/95/1045859895.db2.gz ZVRZSBZPGDHXGF-KRWDZBQOSA-N 1 1 341.842 4.269 20 10 EICDMO CCC[N@@H+](Cc1c[nH]nc1-c1ccccc1F)Cc1ccccc1O ZINC000769200667 1045892554 /nfs/dbraw/zinc/89/25/54/1045892554.db2.gz HZUKRYDZDRCQSD-UHFFFAOYSA-N 1 1 339.414 4.334 20 10 EICDMO Cc1ccc(C[N@@H+](C)Cc2cccc(Br)c2O)s1 ZINC000769316633 1045919616 /nfs/dbraw/zinc/91/96/16/1045919616.db2.gz LYKNXCSZXKXOOG-UHFFFAOYSA-N 1 1 326.259 4.157 20 10 EICDMO Cc1ccc(C[N@H+](C)Cc2cccc(Br)c2O)s1 ZINC000769316633 1045919626 /nfs/dbraw/zinc/91/96/26/1045919626.db2.gz LYKNXCSZXKXOOG-UHFFFAOYSA-N 1 1 326.259 4.157 20 10 EICDMO CCCO[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000769382920 1045942752 /nfs/dbraw/zinc/94/27/52/1045942752.db2.gz CXLIVCVRQZIBHW-NRFANRHFSA-N 1 1 330.516 4.458 20 10 EICDMO c1coc([C@@H]2CCCCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000769425957 1045958700 /nfs/dbraw/zinc/95/87/00/1045958700.db2.gz ADQMFRCZSQRTSK-FQEVSTJZSA-N 1 1 340.467 4.234 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2CCS[C@@H](c3ccccc3)C2)c1 ZINC000769426763 1045959411 /nfs/dbraw/zinc/95/94/11/1045959411.db2.gz WKNSZZHNKNWYCJ-LJQANCHMSA-N 1 1 329.465 4.081 20 10 EICDMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)c(O)c1 ZINC000769461919 1045981794 /nfs/dbraw/zinc/98/17/94/1045981794.db2.gz ZIQAQYRYQDMMAJ-HXUWFJFHSA-N 1 1 340.467 4.194 20 10 EICDMO CCOc1cccc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)c1O ZINC000769471820 1045985259 /nfs/dbraw/zinc/98/52/59/1045985259.db2.gz DFFKEGIAHRUZLO-OXJNMPFZSA-N 1 1 341.451 4.061 20 10 EICDMO CCOc1ccc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)c(O)c1 ZINC000769476114 1045990983 /nfs/dbraw/zinc/99/09/83/1045990983.db2.gz WHWBONVTIAZHLC-HRAATJIYSA-N 1 1 341.451 4.061 20 10 EICDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H](c2ccco2)C1 ZINC000769524375 1046006717 /nfs/dbraw/zinc/00/67/17/1046006717.db2.gz DJYBLYJVIZSKPI-FXAWDEMLSA-N 1 1 340.467 4.089 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000769519540 1046007304 /nfs/dbraw/zinc/00/73/04/1046007304.db2.gz REXADKGOQJKASF-HXUWFJFHSA-N 1 1 337.463 4.308 20 10 EICDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@H](c2ccco2)C1 ZINC000769524379 1046010922 /nfs/dbraw/zinc/01/09/22/1046010922.db2.gz DJYBLYJVIZSKPI-PXNSSMCTSA-N 1 1 340.467 4.089 20 10 EICDMO Cc1nc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)sc1C ZINC000792997969 1046122189 /nfs/dbraw/zinc/12/21/89/1046122189.db2.gz PPECSZUUWCHQCZ-UHFFFAOYSA-N 1 1 343.418 4.135 20 10 EICDMO CCCN(CCC)c1ccc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000770279174 1046166921 /nfs/dbraw/zinc/16/69/21/1046166921.db2.gz GFIQKRNJDHDJJP-PMACEKPBSA-N 1 1 348.556 4.019 20 10 EICDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(-c2ccccc2)ccc1O ZINC000770286875 1046169917 /nfs/dbraw/zinc/16/99/17/1046169917.db2.gz SJCUEKCBCDHGBJ-RTWAWAEBSA-N 1 1 336.479 4.118 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2c2cn(C)nc2C)cc1F ZINC000770312847 1046176741 /nfs/dbraw/zinc/17/67/41/1046176741.db2.gz QCZGCKPATHZBPW-LJQANCHMSA-N 1 1 344.478 4.051 20 10 EICDMO C[C@@H]([NH2+]CCc1ccc2cn[nH]c2c1)c1ccc(N2CCCCC2)cc1 ZINC000793576697 1046299423 /nfs/dbraw/zinc/29/94/23/1046299423.db2.gz YJTVIAPNGNCMOD-QGZVFWFLSA-N 1 1 348.494 4.447 20 10 EICDMO CC[C@H]([NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(F)cc1O ZINC000796952077 1046321568 /nfs/dbraw/zinc/32/15/68/1046321568.db2.gz XAAOOUDMFPTFCU-WPGHFRTFSA-N 1 1 349.368 4.056 20 10 EICDMO CC[C@@H]([NH2+]Cc1cccnc1OC1CCCC1)c1ccc(F)cc1O ZINC000796697922 1046330259 /nfs/dbraw/zinc/33/02/59/1046330259.db2.gz ZSLMARDSSMLQON-GOSISDBHSA-N 1 1 344.430 4.489 20 10 EICDMO COc1cc(C[N@H+]2CCC[C@H](CSC)C2)c(O)c(C(C)(C)C)c1 ZINC000793796830 1046335442 /nfs/dbraw/zinc/33/54/42/1046335442.db2.gz NICMMDXRWZHCEF-AWEZNQCLSA-N 1 1 337.529 4.273 20 10 EICDMO CC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC[C@@H]1c1ccccc1 ZINC000746383163 1046337344 /nfs/dbraw/zinc/33/73/44/1046337344.db2.gz QTXWBSQDYHKFSZ-QAPCUYQASA-N 1 1 339.435 4.137 20 10 EICDMO CN1CCN(c2ccc(C[NH2+][C@@H](CC3CC3)c3ccccc3)cc2)CC1 ZINC000771840032 1046500046 /nfs/dbraw/zinc/50/00/46/1046500046.db2.gz DBTPSFCXMLBVDI-QHCPKHFHSA-N 1 1 349.522 4.069 20 10 EICDMO COc1cccc(O)c1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000771934821 1046529837 /nfs/dbraw/zinc/52/98/37/1046529837.db2.gz AGNZVHYCHKXION-UHFFFAOYSA-N 1 1 340.467 4.023 20 10 EICDMO Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1O)N(C)C ZINC000785581427 1046711530 /nfs/dbraw/zinc/71/15/30/1046711530.db2.gz PPQCBXNQOVXQLM-SXGZJXTBSA-N 1 1 330.447 4.182 20 10 EICDMO Oc1ccc(Br)cc1CNc1cc[nH+]c2ccsc21 ZINC000804826597 1046817854 /nfs/dbraw/zinc/81/78/54/1046817854.db2.gz BKPXALUODVVPDB-UHFFFAOYSA-N 1 1 335.226 4.377 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1ccc2cnccc2c1)C[C@H]1CCCO1 ZINC000787047609 1046898863 /nfs/dbraw/zinc/89/88/63/1046898863.db2.gz AQWDCBHIAVDXMD-OAQYLSRUSA-N 1 1 348.446 4.122 20 10 EICDMO CC(C)[N@@H+](Cc1scnc1C1CC1)Cc1ccc(N(C)C)cc1 ZINC000787090604 1046909016 /nfs/dbraw/zinc/90/90/16/1046909016.db2.gz GZTOMKZFXXWDTI-UHFFFAOYSA-N 1 1 329.513 4.497 20 10 EICDMO C[N@@H+](Cc1ccccc1O)Cc1ccc(Cl)nc1C(F)(F)F ZINC000787265994 1046977792 /nfs/dbraw/zinc/97/77/92/1046977792.db2.gz YTJXLWFKKASCPJ-UHFFFAOYSA-N 1 1 330.737 4.091 20 10 EICDMO Oc1cc2c(cc1C[N@@H+](Cc1ccc3ccccc3c1)C1CC1)OCO2 ZINC000746708208 1047048845 /nfs/dbraw/zinc/04/88/45/1047048845.db2.gz RITNECAQEYJBON-UHFFFAOYSA-N 1 1 347.414 4.439 20 10 EICDMO CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000746709677 1047064338 /nfs/dbraw/zinc/06/43/38/1047064338.db2.gz AXFHFHYJSDQZJS-ZWKOTPCHSA-N 1 1 339.435 4.279 20 10 EICDMO CCOc1ccc(CNc2[nH+]c3cc(C)ccc3n2CC)c(O)c1 ZINC000763424048 1047104700 /nfs/dbraw/zinc/10/47/00/1047104700.db2.gz BPEKOZPPYWTBOC-UHFFFAOYSA-N 1 1 325.412 4.081 20 10 EICDMO CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1cccc(Cl)c1[O-] ZINC000806148158 1047173221 /nfs/dbraw/zinc/17/32/21/1047173221.db2.gz CVUGZYVMBIUOPE-MAUKXSAKSA-N 1 1 338.923 4.454 20 10 EICDMO CC(C)[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@@H](O)c1ccccc1 ZINC000788541353 1047218525 /nfs/dbraw/zinc/21/85/25/1047218525.db2.gz WAUXPMJETVUJRB-ROUUACIJSA-N 1 1 337.822 4.033 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000788532147 1047227434 /nfs/dbraw/zinc/22/74/34/1047227434.db2.gz LTNYKEVTOPMJQC-AWEZNQCLSA-N 1 1 348.849 4.191 20 10 EICDMO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cccc(C(F)(F)F)c1O ZINC000788604028 1047246571 /nfs/dbraw/zinc/24/65/71/1047246571.db2.gz SMBAKPWVWKCFOQ-BONVTDFDSA-N 1 1 345.386 4.031 20 10 EICDMO C[C@@H](Nc1ccc2c(c1)[nH+]cn2C)c1cc(Br)ccc1O ZINC000757615425 1047373885 /nfs/dbraw/zinc/37/38/85/1047373885.db2.gz ZJQPUZLMDFFJOU-SNVBAGLBSA-N 1 1 346.228 4.215 20 10 EICDMO C[N@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C[C@@H]1CCCCO1 ZINC000918732336 1047625319 /nfs/dbraw/zinc/62/53/19/1047625319.db2.gz OBHNULYSGPCUCW-AWEZNQCLSA-N 1 1 329.440 4.018 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)c1O ZINC000824714668 1047910317 /nfs/dbraw/zinc/91/03/17/1047910317.db2.gz DUOKIRRTYZIWHC-KOLCDFICSA-N 1 1 337.769 4.217 20 10 EICDMO Cn1ncc(C2CCC2)c1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000824776778 1047936269 /nfs/dbraw/zinc/93/62/69/1047936269.db2.gz KBEHUADPRWDLKA-UHFFFAOYSA-N 1 1 339.483 4.338 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)cc1OC ZINC000825215574 1048051739 /nfs/dbraw/zinc/05/17/39/1048051739.db2.gz RBHDCNCNPUPGSR-MRXNPFEDSA-N 1 1 349.377 4.025 20 10 EICDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CO)c2c(F)cccc2F)c1O ZINC000808707566 1048053709 /nfs/dbraw/zinc/05/37/09/1048053709.db2.gz SKPHESCZJASMOT-BONVTDFDSA-N 1 1 341.785 4.016 20 10 EICDMO C[N@@H+](Cc1ccncc1)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809639029 1048450154 /nfs/dbraw/zinc/45/01/54/1048450154.db2.gz PTPDQUJNEYQFOH-UHFFFAOYSA-N 1 1 343.474 4.276 20 10 EICDMO Cc1noc([C@H]2CCCC[N@H+]2Cc2cc(-c3ccccc3)ccc2O)n1 ZINC000809719022 1048496728 /nfs/dbraw/zinc/49/67/28/1048496728.db2.gz VBKJALDKBFTSGF-LJQANCHMSA-N 1 1 349.434 4.478 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)cc1 ZINC000809768819 1048503078 /nfs/dbraw/zinc/50/30/78/1048503078.db2.gz XNMKDXIAKOGWPN-IBGZPJMESA-N 1 1 326.488 4.210 20 10 EICDMO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1cccc(C(F)(F)F)c1O ZINC000815556521 1048507133 /nfs/dbraw/zinc/50/71/33/1048507133.db2.gz XGAYQKIBWWSZNL-YPMHNXCESA-N 1 1 337.341 4.065 20 10 EICDMO Cc1nccn1CCC[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000809753006 1048517826 /nfs/dbraw/zinc/51/78/26/1048517826.db2.gz LKHTYAHDALUQLJ-UHFFFAOYSA-N 1 1 335.451 4.086 20 10 EICDMO CC[C@H](c1ccncc1)[N@@H+](C)Cc1cccc(Br)c1O ZINC000809764389 1048523380 /nfs/dbraw/zinc/52/33/80/1048523380.db2.gz FSOHTOTUEISYIT-OAHLLOKOSA-N 1 1 335.245 4.133 20 10 EICDMO CC[C@H](c1ccncc1)[N@H+](C)Cc1cccc(Br)c1O ZINC000809764389 1048523372 /nfs/dbraw/zinc/52/33/72/1048523372.db2.gz FSOHTOTUEISYIT-OAHLLOKOSA-N 1 1 335.245 4.133 20 10 EICDMO Cc1cc(Cl)cc(C[N@@H+](Cc2ccco2)C2CCN(C)CC2)c1O ZINC000809765881 1048527541 /nfs/dbraw/zinc/52/75/41/1048527541.db2.gz PSLRJNWPOFFVQZ-UHFFFAOYSA-N 1 1 348.874 4.043 20 10 EICDMO Cc1cc(Cl)cc(C[N@H+](Cc2ccco2)C2CCN(C)CC2)c1O ZINC000809765881 1048527547 /nfs/dbraw/zinc/52/75/47/1048527547.db2.gz PSLRJNWPOFFVQZ-UHFFFAOYSA-N 1 1 348.874 4.043 20 10 EICDMO CSc1cc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)ccn1 ZINC000815590186 1048528679 /nfs/dbraw/zinc/52/86/79/1048528679.db2.gz OAZDIBOSELHIEK-JTQLQIEISA-N 1 1 342.386 4.379 20 10 EICDMO C[C@H]([NH2+][C@H](CO)C1CCCCC1)c1cccc(C(F)(F)F)c1O ZINC000815595145 1048530009 /nfs/dbraw/zinc/53/00/09/1048530009.db2.gz ISESEQYCKJZLPF-XHDPSFHLSA-N 1 1 331.378 4.003 20 10 EICDMO CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815598631 1048532442 /nfs/dbraw/zinc/53/24/42/1048532442.db2.gz ZCBZZZALHSVKJS-ABAIWWIYSA-N 1 1 333.394 4.105 20 10 EICDMO C[C@@H]([NH2+]CCSCC(F)(F)F)c1cccc(C(F)(F)F)c1O ZINC000815600297 1048533412 /nfs/dbraw/zinc/53/34/12/1048533412.db2.gz PPGKXFGEQMXEHG-MRVPVSSYSA-N 1 1 347.324 4.357 20 10 EICDMO Cc1cc(Br)cc(C[NH2+]C2(C(F)F)CCCC2)c1O ZINC000809789785 1048535293 /nfs/dbraw/zinc/53/52/93/1048535293.db2.gz FVXGXMHCMARQNG-UHFFFAOYSA-N 1 1 334.204 4.131 20 10 EICDMO Cc1cccc(CCC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)n1 ZINC000815625012 1048548604 /nfs/dbraw/zinc/54/86/04/1048548604.db2.gz QAXXYUDVTGTFKD-ZDUSSCGKSA-N 1 1 338.373 4.398 20 10 EICDMO C[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1cccc(C(F)(F)F)c1O ZINC000815627044 1048551416 /nfs/dbraw/zinc/55/14/16/1048551416.db2.gz RRMFPQJMKAVWIN-NEPJUHHUSA-N 1 1 337.341 4.238 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)[C@H](O)c1ccccc1 ZINC000815626866 1048551565 /nfs/dbraw/zinc/55/15/65/1048551565.db2.gz NTGAOYWEVPNBSO-OZVIIMIRSA-N 1 1 339.357 4.184 20 10 EICDMO C[C@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)c1cc[nH]c(=O)c1 ZINC000815642828 1048568261 /nfs/dbraw/zinc/56/82/61/1048568261.db2.gz MYMXQXVHSAIUEH-IUCAKERBSA-N 1 1 327.211 4.211 20 10 EICDMO CCc1noc(C)c1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815641109 1048568440 /nfs/dbraw/zinc/56/84/40/1048568440.db2.gz PKNRWLJFFROXSS-SECBINFHSA-N 1 1 328.334 4.121 20 10 EICDMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccc(-n2cccn2)c(F)c1 ZINC000815647680 1048573733 /nfs/dbraw/zinc/57/37/33/1048573733.db2.gz RCUKCPPATPBQGA-STQMWFEESA-N 1 1 343.377 4.268 20 10 EICDMO CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000810212444 1048682995 /nfs/dbraw/zinc/68/29/95/1048682995.db2.gz BCUAUCKZNUHZJU-BBRMVZONSA-N 1 1 344.421 4.184 20 10 EICDMO CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000810212444 1048683004 /nfs/dbraw/zinc/68/30/04/1048683004.db2.gz BCUAUCKZNUHZJU-BBRMVZONSA-N 1 1 344.421 4.184 20 10 EICDMO CC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215204 1048684775 /nfs/dbraw/zinc/68/47/75/1048684775.db2.gz AKYCSVRBFZVSNX-MRXNPFEDSA-N 1 1 344.421 4.184 20 10 EICDMO CC[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccc(C(F)(F)F)cc1O ZINC000810227895 1048696526 /nfs/dbraw/zinc/69/65/26/1048696526.db2.gz MHJNMXUDSLDHMO-KBPBESRZSA-N 1 1 339.361 4.252 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1O ZINC000810209954 1048706579 /nfs/dbraw/zinc/70/65/79/1048706579.db2.gz XPDNPWGNEHAHCL-FMKPAKJESA-N 1 1 342.405 4.079 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209954 1048706589 /nfs/dbraw/zinc/70/65/89/1048706589.db2.gz XPDNPWGNEHAHCL-FMKPAKJESA-N 1 1 342.405 4.079 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209954 1048706601 /nfs/dbraw/zinc/70/66/01/1048706601.db2.gz XPDNPWGNEHAHCL-FMKPAKJESA-N 1 1 342.405 4.079 20 10 EICDMO COc1ccc(O)c([C@H](C)NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)c1 ZINC000845973101 1048773933 /nfs/dbraw/zinc/77/39/33/1048773933.db2.gz XJTMCZFEYXTUCF-GQIGUUNPSA-N 1 1 346.515 4.095 20 10 EICDMO CN(Cc1cccs1)c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000846112465 1048815050 /nfs/dbraw/zinc/81/50/50/1048815050.db2.gz CSWPCHHXLLZVFG-CALCHBBNSA-N 1 1 334.435 4.081 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000816516630 1048824052 /nfs/dbraw/zinc/82/40/52/1048824052.db2.gz LQPRAOMACPRGRD-UHFFFAOYSA-N 1 1 347.817 4.206 20 10 EICDMO COc1ccc(-n2c(C)cc(C[N@H+](C)Cc3conc3C)c2C)cc1 ZINC000816517614 1048824530 /nfs/dbraw/zinc/82/45/30/1048824530.db2.gz WPCISULJMAXZEY-UHFFFAOYSA-N 1 1 339.439 4.031 20 10 EICDMO COc1ccc(-n2c(C)cc(C[N@@H+](C)Cc3conc3C)c2C)cc1 ZINC000816517614 1048824532 /nfs/dbraw/zinc/82/45/32/1048824532.db2.gz WPCISULJMAXZEY-UHFFFAOYSA-N 1 1 339.439 4.031 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccccc1OC(F)F ZINC000816531120 1048826203 /nfs/dbraw/zinc/82/62/03/1048826203.db2.gz GSANGHLFJANDBG-UHFFFAOYSA-N 1 1 331.721 4.076 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000816541293 1048826774 /nfs/dbraw/zinc/82/67/74/1048826774.db2.gz IOWSZSYVNAUYNI-ZWKOTPCHSA-N 1 1 335.806 4.195 20 10 EICDMO COc1ccc(Cl)cc1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816541970 1048826873 /nfs/dbraw/zinc/82/68/73/1048826873.db2.gz ZHFVEIYQAUVHKL-UHFFFAOYSA-N 1 1 330.186 4.137 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1cc2c(s1)CCCC2 ZINC000816542392 1048827499 /nfs/dbraw/zinc/82/74/99/1048827499.db2.gz MUYIHIBKDSAMPJ-UHFFFAOYSA-N 1 1 325.836 4.415 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccccc1OC1CCC1 ZINC000816549909 1048827799 /nfs/dbraw/zinc/82/77/99/1048827799.db2.gz CFSYKKOBMYHABU-UHFFFAOYSA-N 1 1 335.806 4.406 20 10 EICDMO CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816560764 1048835643 /nfs/dbraw/zinc/83/56/43/1048835643.db2.gz ZURIGXPQDNQEEH-BMLIUANNSA-N 1 1 341.785 4.190 20 10 EICDMO COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816601076 1048842365 /nfs/dbraw/zinc/84/23/65/1048842365.db2.gz QGANRJDJHWIPEF-OAHLLOKOSA-N 1 1 339.769 4.110 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000816665934 1048851403 /nfs/dbraw/zinc/85/14/03/1048851403.db2.gz AJSCIFGLXYCICL-VXKWHMMOSA-N 1 1 335.447 4.203 20 10 EICDMO CC(C)(C)c1cc(C[N@H+]2CCC[C@@H](O)CC2)c(O)c(C(C)(C)C)c1 ZINC000816667449 1048852068 /nfs/dbraw/zinc/85/20/68/1048852068.db2.gz NMMFJKFNFQYFNA-QGZVFWFLSA-N 1 1 333.516 4.334 20 10 EICDMO C[C@H]([NH2+]C[C@@H](N)c1ccccc1)c1cc(Cl)c(Cl)cc1O ZINC000817955294 1049067656 /nfs/dbraw/zinc/06/76/56/1049067656.db2.gz VFQUMOUXQVFUJW-ZUZCIYMTSA-N 1 1 325.239 4.050 20 10 EICDMO C[C@@H](NC[C@]1(C)CCC[NH2+]C1)c1ccc(N2CCCCCC2)cc1 ZINC000817965015 1049071865 /nfs/dbraw/zinc/07/18/65/1049071865.db2.gz MTNYEEAHGBFJLI-WIYYLYMNSA-N 1 1 329.532 4.107 20 10 EICDMO CC[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(F)cc1O ZINC000817976456 1049075219 /nfs/dbraw/zinc/07/52/19/1049075219.db2.gz YVYXYOQLPIKYRP-SJORKVTESA-N 1 1 344.430 4.457 20 10 EICDMO C[C@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000817987208 1049079330 /nfs/dbraw/zinc/07/93/30/1049079330.db2.gz YHBIBALJIAECOQ-AZUAARDMSA-N 1 1 341.543 4.392 20 10 EICDMO CC1(C)C[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000811510867 1049126023 /nfs/dbraw/zinc/12/60/23/1049126023.db2.gz QJFAFQZYLUKZDF-VQTJNVASSA-N 1 1 328.500 4.066 20 10 EICDMO C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CCC1(F)F ZINC000811511511 1049126114 /nfs/dbraw/zinc/12/61/14/1049126114.db2.gz KTCQBWICYKPUBA-OAHLLOKOSA-N 1 1 347.405 4.448 20 10 EICDMO C[C@@H]1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCC1(F)F ZINC000811780081 1049263109 /nfs/dbraw/zinc/26/31/09/1049263109.db2.gz VGIPFMCZMQINIL-GFCCVEGCSA-N 1 1 335.394 4.494 20 10 EICDMO Oc1cc2c(cc1C[N@H+](Cc1ccccc1)C[C@H]1CCCO1)CCC2 ZINC000747788714 1049458960 /nfs/dbraw/zinc/45/89/60/1049458960.db2.gz NOJQARFMSAGBKB-OAQYLSRUSA-N 1 1 337.463 4.062 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)[C@H]2CCc3c(F)cc(F)cc3C2)cc1 ZINC001171381964 1049575696 /nfs/dbraw/zinc/57/56/96/1049575696.db2.gz IIQMGBVVXDVKIQ-SFHVURJKSA-N 1 1 330.422 4.020 20 10 EICDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000773258071 1049677165 /nfs/dbraw/zinc/67/71/65/1049677165.db2.gz GQMIZDQYLTYMLL-HOTGVXAUSA-N 1 1 347.499 4.034 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCc2cccc(F)c2C1 ZINC001170995945 1049797663 /nfs/dbraw/zinc/79/76/63/1049797663.db2.gz GUDOKDYCPZNGCN-HXUWFJFHSA-N 1 1 338.470 4.415 20 10 EICDMO CCSc1cccc(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)c1 ZINC000813885757 1049831879 /nfs/dbraw/zinc/83/18/79/1049831879.db2.gz WKDBXKRJNOIZHJ-ZDUSSCGKSA-N 1 1 345.464 4.142 20 10 EICDMO C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001172862352 1050198066 /nfs/dbraw/zinc/19/80/66/1050198066.db2.gz QMQCUWMKLLMGBB-LBPRGKRZSA-N 1 1 349.833 4.270 20 10 EICDMO CC(C)(C[NH2+]Cc1c(O)ccc(Cl)c1F)c1ccccc1F ZINC001177617087 1050265567 /nfs/dbraw/zinc/26/55/67/1050265567.db2.gz DXUKCQVKKSNDNI-UHFFFAOYSA-N 1 1 325.786 4.391 20 10 EICDMO CCCOC1CCC([NH2+]Cc2cc(Cl)c3cccnc3c2O)CC1 ZINC001173090185 1050283389 /nfs/dbraw/zinc/28/33/89/1050283389.db2.gz UQXODXZGGFVYFR-UHFFFAOYSA-N 1 1 348.874 4.421 20 10 EICDMO CCc1ccc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1C ZINC001178208674 1050405804 /nfs/dbraw/zinc/40/58/04/1050405804.db2.gz QGHISUYRDBRCDS-UHFFFAOYSA-N 1 1 341.474 4.060 20 10 EICDMO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000182465920 1050687008 /nfs/dbraw/zinc/68/70/08/1050687008.db2.gz LVCCCZSBSLCPCK-UONOGXRCSA-N 1 1 338.407 4.468 20 10 EICDMO C[C@H]1CC[C@](CO)([NH2+]Cc2c(O)ccc(Cl)c2F)c2ccccc21 ZINC001179792916 1050779599 /nfs/dbraw/zinc/77/95/99/1050779599.db2.gz CYNGILNWZJLDKD-HXPMCKFVSA-N 1 1 349.833 4.059 20 10 EICDMO Cc1nn(-c2ccc(C)cc2)cc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001179845592 1050797898 /nfs/dbraw/zinc/79/78/98/1050797898.db2.gz VLBUDTLUGLUSJG-UHFFFAOYSA-N 1 1 348.494 4.187 20 10 EICDMO CC[C@H]1CCCC[C@@H]1C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC001179969930 1050835833 /nfs/dbraw/zinc/83/58/33/1050835833.db2.gz PLZCYWKSARZUHB-RBUKOAKNSA-N 1 1 330.516 4.424 20 10 EICDMO C[C@@H]1CCN(Cc2ccc(Cl)cc2O)CC[N@H+]1Cc1ccccc1 ZINC001180088508 1050864911 /nfs/dbraw/zinc/86/49/11/1050864911.db2.gz ZKQBZBLYYUQNDD-MRXNPFEDSA-N 1 1 344.886 4.142 20 10 EICDMO C[C@@H](c1ccco1)[N@@H+](Cc1ccc(Br)cc1O)C1CC1 ZINC001180064711 1050872990 /nfs/dbraw/zinc/87/29/90/1050872990.db2.gz SKDFBUCTEZXOTR-NSHDSACASA-N 1 1 336.229 4.473 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)c(Cl)c1 ZINC001180077234 1050874296 /nfs/dbraw/zinc/87/42/96/1050874296.db2.gz OCNPRRCWLXYCCY-SJCJKPOMSA-N 1 1 337.872 4.378 20 10 EICDMO COc1cc(Cl)cc(C[N@@H+]2CCc3cccc(F)c3[C@H]2C)c1O ZINC001180238805 1050932517 /nfs/dbraw/zinc/93/25/17/1050932517.db2.gz BXJWMSTUGLERKN-LLVKDONJSA-N 1 1 335.806 4.313 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CCc3cccc(F)c3[C@H]2C)c1O ZINC001180238805 1050932531 /nfs/dbraw/zinc/93/25/31/1050932531.db2.gz BXJWMSTUGLERKN-LLVKDONJSA-N 1 1 335.806 4.313 20 10 EICDMO C[N@H+](CCOc1cccc(Cl)c1)Cc1c(O)ccc(Cl)c1F ZINC001180437948 1050990076 /nfs/dbraw/zinc/99/00/76/1050990076.db2.gz SBYRYWZETOSSHA-UHFFFAOYSA-N 1 1 344.213 4.349 20 10 EICDMO C[N@@H+](CCOc1cccc(Cl)c1)Cc1c(O)ccc(Cl)c1F ZINC001180437948 1050990091 /nfs/dbraw/zinc/99/00/91/1050990091.db2.gz SBYRYWZETOSSHA-UHFFFAOYSA-N 1 1 344.213 4.349 20 10 EICDMO CCOc1ccc(C[N@@H+](CC)Cc2ccc(N(C)C)cc2)cc1F ZINC001180479483 1051000302 /nfs/dbraw/zinc/00/03/02/1051000302.db2.gz NKVONNYZUABMPA-UHFFFAOYSA-N 1 1 330.447 4.313 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2ccc(Cl)cc2O)C2CC2)cc1 ZINC001180558822 1051034711 /nfs/dbraw/zinc/03/47/11/1051034711.db2.gz WKNLPPZLMBRMML-UHFFFAOYSA-N 1 1 330.859 4.276 20 10 EICDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC001181400734 1051227194 /nfs/dbraw/zinc/22/71/94/1051227194.db2.gz WASVLDQCIMHMJN-HXUWFJFHSA-N 1 1 344.524 4.385 20 10 EICDMO CCN(C)c1ccc(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC001191060229 1051337589 /nfs/dbraw/zinc/33/75/89/1051337589.db2.gz ZBQZAPKZYHENMG-FPOVZHCZSA-N 1 1 343.559 4.229 20 10 EICDMO COC1CCN(c2ccc(C[N@H+]3[C@H](C)C[C@H]4CCCC[C@H]43)cc2)CC1 ZINC001191078067 1051343427 /nfs/dbraw/zinc/34/34/27/1051343427.db2.gz PTCLBLLLOSTNMI-SFGWALBWSA-N 1 1 342.527 4.455 20 10 EICDMO C[C@@H]([NH2+]CCNc1ccccc1)c1cc(Cl)c(Cl)cc1O ZINC000774216535 1051514935 /nfs/dbraw/zinc/51/49/35/1051514935.db2.gz HWRIVNOCVOZDPX-LLVKDONJSA-N 1 1 325.239 4.462 20 10 EICDMO Cc1cccc(NCC[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)n1 ZINC000774260966 1051531807 /nfs/dbraw/zinc/53/18/07/1051531807.db2.gz UKXUPOMRCQVBSH-NSHDSACASA-N 1 1 340.254 4.165 20 10 EICDMO Cc1ncc(CC[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)s1 ZINC000774267919 1051536404 /nfs/dbraw/zinc/53/64/04/1051536404.db2.gz YHALPEOOQMNIHG-QMMMGPOBSA-N 1 1 331.268 4.357 20 10 EICDMO C[C@H]([NH2+]CCc1ccc(CO)cc1)c1cc(Cl)c(Cl)cc1O ZINC000774269771 1051537840 /nfs/dbraw/zinc/53/78/40/1051537840.db2.gz BYTDCJVWIUDKEQ-NSHDSACASA-N 1 1 340.250 4.085 20 10 EICDMO CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775492878 1051592156 /nfs/dbraw/zinc/59/21/56/1051592156.db2.gz PVGLXMVKKJLWHF-CQSZACIVSA-N 1 1 342.270 4.335 20 10 EICDMO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1nnc(-c2ccccc2)o1 ZINC000774482078 1051611983 /nfs/dbraw/zinc/61/19/83/1051611983.db2.gz FKBFTMBLECYUAQ-GJZGRUSLSA-N 1 1 336.439 4.214 20 10 EICDMO Oc1cc2c(cc1O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)CCC2 ZINC001204165514 1051874769 /nfs/dbraw/zinc/87/47/69/1051874769.db2.gz CUXKGVQKJNLOPD-UHFFFAOYSA-N 1 1 337.341 4.065 20 10 EICDMO CCOc1cccc(C[N@H+]2CC[C@@H](c3ccccc3Cl)C2)c1O ZINC001203609033 1052183188 /nfs/dbraw/zinc/18/31/88/1052183188.db2.gz GSFIMUCIKGUUTI-CQSZACIVSA-N 1 1 331.843 4.434 20 10 EICDMO CCOc1ccc(CC[N@@H+](C)Cc2ccc(N(C)C)c(C)c2)cc1 ZINC001176832818 1052195748 /nfs/dbraw/zinc/19/57/48/1052195748.db2.gz JUHIRKFXOAQWNQ-UHFFFAOYSA-N 1 1 326.484 4.134 20 10 EICDMO COc1ccc([C@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)cc1 ZINC000774849419 1052203156 /nfs/dbraw/zinc/20/31/56/1052203156.db2.gz JMJHBISNUFXHJF-NSHDSACASA-N 1 1 333.815 4.108 20 10 EICDMO C[C@@H]([NH2+]Cc1ccccc1OC(F)(F)F)c1ccc(F)cc1O ZINC000184910360 1052294106 /nfs/dbraw/zinc/29/41/06/1052294106.db2.gz ZUKYIKPIMPJHCJ-SNVBAGLBSA-N 1 1 329.293 4.281 20 10 EICDMO C[C@H]([NH2+]C[C@H](O)c1ccc2ccccc2c1)c1ccc(F)cc1O ZINC000185406663 1052595749 /nfs/dbraw/zinc/59/57/49/1052595749.db2.gz VJLIGHQFSDLCSF-RBZFPXEDSA-N 1 1 325.383 4.069 20 10 EICDMO Cc1cc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)ccc1N1CCCCC1 ZINC001194862770 1053129991 /nfs/dbraw/zinc/12/99/91/1053129991.db2.gz DYUZZHVSFNAZIM-SFTDATJTSA-N 1 1 342.527 4.375 20 10 EICDMO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1ccc(N2CCCCCC2)cc1 ZINC000850499423 1053259991 /nfs/dbraw/zinc/25/99/91/1053259991.db2.gz PFVSEIWAZKGTDK-TXPKVOOTSA-N 1 1 339.487 4.015 20 10 EICDMO CC[C@H]([NH2+][C@H](c1nccn1C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000764809144 1053321805 /nfs/dbraw/zinc/32/18/05/1053321805.db2.gz ICRWARHISJJFAD-SFTDATJTSA-N 1 1 348.494 4.316 20 10 EICDMO C[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1ccc(F)cc1O ZINC000850569978 1053323805 /nfs/dbraw/zinc/32/38/05/1053323805.db2.gz OZOXPDGBLPTPMH-SECBINFHSA-N 1 1 329.293 4.123 20 10 EICDMO Cc1cccc(C[N@@H+](C)Cc2ccc(Br)s2)c1O ZINC000775647625 1053366870 /nfs/dbraw/zinc/36/68/70/1053366870.db2.gz ZRPSLIJMMUKKES-UHFFFAOYSA-N 1 1 326.259 4.157 20 10 EICDMO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)c(O)c1C ZINC000794829135 1053439760 /nfs/dbraw/zinc/43/97/60/1053439760.db2.gz STQUVLSVKQMRIY-UYAOXDASSA-N 1 1 338.495 4.182 20 10 EICDMO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC000775665175 1053443263 /nfs/dbraw/zinc/44/32/63/1053443263.db2.gz ZQMMMJVXZFRXDK-JKSUJKDBSA-N 1 1 336.907 4.132 20 10 EICDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC000775665175 1053443267 /nfs/dbraw/zinc/44/32/67/1053443267.db2.gz ZQMMMJVXZFRXDK-JKSUJKDBSA-N 1 1 336.907 4.132 20 10 EICDMO C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000775665175 1053443270 /nfs/dbraw/zinc/44/32/70/1053443270.db2.gz ZQMMMJVXZFRXDK-JKSUJKDBSA-N 1 1 336.907 4.132 20 10 EICDMO C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000775665175 1053443276 /nfs/dbraw/zinc/44/32/76/1053443276.db2.gz ZQMMMJVXZFRXDK-JKSUJKDBSA-N 1 1 336.907 4.132 20 10 EICDMO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cccc(C)c1O ZINC000775668550 1053459912 /nfs/dbraw/zinc/45/99/12/1053459912.db2.gz FIUDZTIHWNDXJN-LJQANCHMSA-N 1 1 335.451 4.407 20 10 EICDMO Cc1cc(C[NH2+]Cc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)on1 ZINC000865555014 1053546874 /nfs/dbraw/zinc/54/68/74/1053546874.db2.gz PXYPURPPBWGYAS-ZDUSSCGKSA-N 1 1 333.863 4.163 20 10 EICDMO CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1[O-] ZINC000853240304 1053655281 /nfs/dbraw/zinc/65/52/81/1053655281.db2.gz OSPZUWUCLMNJKX-MAUKXSAKSA-N 1 1 336.907 4.208 20 10 EICDMO CSCC[C@H](C)[N@@H+](C)Cc1cc(Br)cc(C)c1O ZINC000775713828 1053658684 /nfs/dbraw/zinc/65/86/84/1053658684.db2.gz JPGCNEQPTFUWRK-NSHDSACASA-N 1 1 332.307 4.037 20 10 EICDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cccc(C)c1O ZINC000775733706 1053716312 /nfs/dbraw/zinc/71/63/12/1053716312.db2.gz HFPIIGFVWNSSJF-SFHVURJKSA-N 1 1 335.451 4.023 20 10 EICDMO C[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)c1ccc(F)cc1O ZINC000866408813 1053718262 /nfs/dbraw/zinc/71/82/62/1053718262.db2.gz FEILDDUHNWAGPD-HWPZZCPQSA-N 1 1 341.785 4.098 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1C(C)C ZINC000121763008 1053846245 /nfs/dbraw/zinc/84/62/45/1053846245.db2.gz LUTUGEKKUCHONE-DNVCBOLYSA-N 1 1 327.472 4.104 20 10 EICDMO Cc1cc(C[N@H+]2CCC[C@@H]2C2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000776775626 1053871897 /nfs/dbraw/zinc/87/18/97/1053871897.db2.gz CTQBQVZCPOPHSB-LJQANCHMSA-N 1 1 331.500 4.389 20 10 EICDMO Cc1nn(C)c(Cl)c1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000113506132 1053958374 /nfs/dbraw/zinc/95/83/74/1053958374.db2.gz GBXZJVNQHWXURH-UHFFFAOYSA-N 1 1 333.863 4.032 20 10 EICDMO C[C@H]1C[C@H]([NH2+]Cc2cc(COC(C)(C)C)on2)c2c1c(F)ccc2O ZINC000776866372 1054012715 /nfs/dbraw/zinc/01/27/15/1054012715.db2.gz FQZKFXYPYXCXSQ-NHYWBVRUSA-N 1 1 348.418 4.173 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cncc(Cl)c1 ZINC000856718943 1054098338 /nfs/dbraw/zinc/09/83/38/1054098338.db2.gz NPKMFAZAJZRIGZ-UHFFFAOYSA-N 1 1 329.875 4.357 20 10 EICDMO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)c1 ZINC000775990456 1054428350 /nfs/dbraw/zinc/42/83/50/1054428350.db2.gz RMDHRNIXDCQMAO-GOSISDBHSA-N 1 1 335.806 4.067 20 10 EICDMO Cc1ccc(O)c(C[N@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)c1 ZINC000775990456 1054428356 /nfs/dbraw/zinc/42/83/56/1054428356.db2.gz RMDHRNIXDCQMAO-GOSISDBHSA-N 1 1 335.806 4.067 20 10 EICDMO COc1ccc(O)c(C[N@@H+](CC(C)C)[C@@H]2CCCc3cccnc32)c1 ZINC000775994954 1054434681 /nfs/dbraw/zinc/43/46/81/1054434681.db2.gz OCRLXMUGNXRSRJ-LJQANCHMSA-N 1 1 340.467 4.331 20 10 EICDMO CCC[N@@H+](Cc1cccc(OC)c1O)[C@@H]1CCCc2cccnc21 ZINC000775998254 1054435675 /nfs/dbraw/zinc/43/56/75/1054435675.db2.gz UCAZCNSTIVOGBP-QGZVFWFLSA-N 1 1 326.440 4.085 20 10 EICDMO Cc1cc(C)n(CC[N@@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)n1 ZINC000776006220 1054443740 /nfs/dbraw/zinc/44/37/40/1054443740.db2.gz BWMZYFAWXNFOQS-LJQANCHMSA-N 1 1 349.478 4.469 20 10 EICDMO Cc1cc(C)n(CC[N@@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)n1 ZINC000776006188 1054443758 /nfs/dbraw/zinc/44/37/58/1054443758.db2.gz BWMZYFAWXNFOQS-IBGZPJMESA-N 1 1 349.478 4.469 20 10 EICDMO Cc1nc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)cs1 ZINC000126544617 1055059416 /nfs/dbraw/zinc/05/94/16/1055059416.db2.gz SHEBGSXORWIFNO-ZDUSSCGKSA-N 1 1 333.476 4.432 20 10 EICDMO CC(C)(C)c1ncc2c(n1)CC[N@H+](Cc1ccc3ccccc3c1O)C2 ZINC000862441517 1055069260 /nfs/dbraw/zinc/06/92/60/1055069260.db2.gz VVKPFXUEJSPYSL-UHFFFAOYSA-N 1 1 347.462 4.191 20 10 EICDMO CCOc1cccc(C[N@H+]2CCC[C@H](c3cc(C(C)C)n[nH]3)C2)c1O ZINC000877783732 1055123603 /nfs/dbraw/zinc/12/36/03/1055123603.db2.gz DZXSUSLJIANKIM-HNNXBMFYSA-N 1 1 343.471 4.017 20 10 EICDMO CCOc1cccc(C[N@@H+]2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)c1O ZINC000877783732 1055123607 /nfs/dbraw/zinc/12/36/07/1055123607.db2.gz DZXSUSLJIANKIM-HNNXBMFYSA-N 1 1 343.471 4.017 20 10 EICDMO CCOc1cccc(C[N@H+]2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)c1O ZINC000877783732 1055123613 /nfs/dbraw/zinc/12/36/13/1055123613.db2.gz DZXSUSLJIANKIM-HNNXBMFYSA-N 1 1 343.471 4.017 20 10 EICDMO COc1ccccc1[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1O)OC(C)C ZINC000186384475 1055429581 /nfs/dbraw/zinc/42/95/81/1055429581.db2.gz QNZUPYGJMRRZTR-JLTOFOAXSA-N 1 1 347.430 4.357 20 10 EICDMO CC[N@@H+](Cc1ccccc1O)[C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168664433 1056509329 /nfs/dbraw/zinc/50/93/29/1056509329.db2.gz GTBUIIRVUKFWMR-WIYYLYMNSA-N 1 1 341.451 4.143 20 10 EICDMO C[N@@H+](CCCC1CCOCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000765933859 1056605189 /nfs/dbraw/zinc/60/51/89/1056605189.db2.gz ULAVYCHMJUQACF-UHFFFAOYSA-N 1 1 330.516 4.316 20 10 EICDMO CCN(C)c1ccc(C[N@@H+](C)Cc2ccc(Br)o2)cc1 ZINC000741753785 1058363190 /nfs/dbraw/zinc/36/31/90/1058363190.db2.gz BGECUYRTFKLRPD-UHFFFAOYSA-N 1 1 337.261 4.130 20 10 EICDMO Cc1nc(C)c(C[N@H+](Cc2ccco2)Cc2ccccc2O)s1 ZINC000741786341 1058370903 /nfs/dbraw/zinc/37/09/03/1058370903.db2.gz VULUSGWJDRTLGW-UHFFFAOYSA-N 1 1 328.437 4.261 20 10 EICDMO Cc1nc(C)c(C[N@@H+](Cc2ccco2)Cc2ccccc2O)s1 ZINC000741786341 1058370925 /nfs/dbraw/zinc/37/09/25/1058370925.db2.gz VULUSGWJDRTLGW-UHFFFAOYSA-N 1 1 328.437 4.261 20 10 EICDMO Cc1cc(O)c(CN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C(C)C ZINC000742169549 1058529232 /nfs/dbraw/zinc/52/92/32/1058529232.db2.gz SOASFORPSCJXLK-SFHVURJKSA-N 1 1 330.516 4.132 20 10 EICDMO CC[N@@H+](Cc1ccccc1)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000743271594 1058913285 /nfs/dbraw/zinc/91/32/85/1058913285.db2.gz DZJMCVZTHCQUKE-UHFFFAOYSA-N 1 1 338.495 4.324 20 10 EICDMO CCN(CC)[C@@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000743395463 1058975612 /nfs/dbraw/zinc/97/56/12/1058975612.db2.gz SFARAKQLKAYTOB-MRXNPFEDSA-N 1 1 338.451 4.208 20 10 EICDMO CCN(CC)[C@@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000743395463 1058975633 /nfs/dbraw/zinc/97/56/33/1058975633.db2.gz SFARAKQLKAYTOB-MRXNPFEDSA-N 1 1 338.451 4.208 20 10 EICDMO CCc1cc(CN2CC[C@@H](C[N@@H+](C)CC)C2)c(O)c(C(C)(C)C)c1 ZINC000743398458 1058978840 /nfs/dbraw/zinc/97/88/40/1058978840.db2.gz FPTOGZBAQLBEPU-KRWDZBQOSA-N 1 1 332.532 4.026 20 10 EICDMO CCc1cc(CN2CC[C@@H](C[N@H+](C)CC)C2)c(O)c(C(C)(C)C)c1 ZINC000743398458 1058978862 /nfs/dbraw/zinc/97/88/62/1058978862.db2.gz FPTOGZBAQLBEPU-KRWDZBQOSA-N 1 1 332.532 4.026 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000743869876 1059189518 /nfs/dbraw/zinc/18/95/18/1059189518.db2.gz DFZHTXNAFHSEAB-KRWDZBQOSA-N 1 1 340.467 4.248 20 10 EICDMO C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000379640268 1059705854 /nfs/dbraw/zinc/70/58/54/1059705854.db2.gz BNPDNRQLUQFZLV-JKSUJKDBSA-N 1 1 330.447 4.093 20 10 EICDMO C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(N2CCCCC2)cc1 ZINC000766476386 1060385891 /nfs/dbraw/zinc/38/58/91/1060385891.db2.gz XVZJYNVSAGCNCE-FBBABVLZSA-N 1 1 329.532 4.200 20 10 EICDMO Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)ccc1N(C)C ZINC001169872571 1061015429 /nfs/dbraw/zinc/01/54/29/1061015429.db2.gz MBIMTQDSAJLLFA-SAIGTISXSA-N 1 1 344.543 4.213 20 10 EICDMO C[C@@H]([NH2+]CCCSc1nccs1)c1ccc(Cl)cc1O ZINC000841765081 1032657193 /nfs/dbraw/zinc/65/71/93/1032657193.db2.gz UXSRDKZTSAMVMQ-SNVBAGLBSA-N 1 1 328.890 4.335 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1ccc2ncccc2c1)C[C@H]1CCCO1 ZINC000160183831 1018805058 /nfs/dbraw/zinc/80/50/58/1018805058.db2.gz DKAFJJIPUOVKKK-HXUWFJFHSA-N 1 1 348.446 4.122 20 10 EICDMO CC[C@@H]([NH2+][C@@H](c1nccn1C)c1cccc(F)c1)c1ccccc1O ZINC000155045285 1020200370 /nfs/dbraw/zinc/20/03/70/1020200370.db2.gz JWKSVAVRYIXTKE-IEBWSBKVSA-N 1 1 339.414 4.095 20 10 EICDMO Cc1cc(C[N@H+]2CCSC[C@H]2c2ccccc2)ccc1N(C)C ZINC001167417913 1022193583 /nfs/dbraw/zinc/19/35/83/1022193583.db2.gz ZXGQRFRRURYLIZ-FQEVSTJZSA-N 1 1 326.509 4.351 20 10 EICDMO CC[C@H]([NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1O ZINC000310799507 1022284650 /nfs/dbraw/zinc/28/46/50/1022284650.db2.gz GKCCAZLLRIWOCX-QFUCXCTJSA-N 1 1 338.495 4.344 20 10 EICDMO Cc1ccc(O)c([C@H](C)[NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)c1 ZINC000363858502 1022862977 /nfs/dbraw/zinc/86/29/77/1022862977.db2.gz DSYFEJVMYUUXIF-XOBRGWDASA-N 1 1 339.414 4.013 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1ccc(F)cc1O ZINC000185047615 1022999446 /nfs/dbraw/zinc/99/94/46/1022999446.db2.gz OWMWEWLIBQEIHO-OAHLLOKOSA-N 1 1 343.446 4.013 20 10 EICDMO Cc1ccccc1C1(C[NH2+][C@@H](C)c2ccc(F)cc2O)CCOCC1 ZINC000185126658 1023009894 /nfs/dbraw/zinc/00/98/94/1023009894.db2.gz OFZXGWMCLJYIEW-INIZCTEOSA-N 1 1 343.442 4.239 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1nccn1-c1ccccc1)c1ccc(F)cc1O ZINC000376788913 1023312221 /nfs/dbraw/zinc/31/22/21/1023312221.db2.gz UFNPFQZDWCCIPS-KGLIPLIRSA-N 1 1 325.387 4.129 20 10 EICDMO Cc1ccc(C[N@H+]2CCc3ccc(Br)cc3C2)c(O)c1 ZINC001140950936 1023367611 /nfs/dbraw/zinc/36/76/11/1023367611.db2.gz PTMUTFNQVBXUMK-UHFFFAOYSA-N 1 1 332.241 4.021 20 10 EICDMO CCC[N@H+](Cc1ccccc1O)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759860067 1023746881 /nfs/dbraw/zinc/74/68/81/1023746881.db2.gz XGTXNMYWYRRYQG-SFHVURJKSA-N 1 1 337.822 4.130 20 10 EICDMO C[N@@H+](Cc1sccc1NC(=O)OC(C)(C)C)Cc1ccccc1O ZINC000891714325 1023899415 /nfs/dbraw/zinc/89/94/15/1023899415.db2.gz WSGXYIVAVZMPPD-UHFFFAOYSA-N 1 1 348.468 4.433 20 10 EICDMO CCN(CC)c1ccc(CNc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000326753786 1025721548 /nfs/dbraw/zinc/72/15/48/1025721548.db2.gz IZHVKAWMXRZYTM-UHFFFAOYSA-N 1 1 335.455 4.034 20 10 EICDMO CC(C)[N@H+]1CCCC[C@@H]1CN(Cc1ccco1)Cc1ccccc1O ZINC001167982299 1026390163 /nfs/dbraw/zinc/39/01/63/1026390163.db2.gz BTSCTQMMLGSOLC-LJQANCHMSA-N 1 1 342.483 4.250 20 10 EICDMO CC[C@@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)c1ccc(F)cc1O ZINC000796663404 1027404219 /nfs/dbraw/zinc/40/42/19/1027404219.db2.gz MDXFNHGEDSRDCN-QZTJIDSGSA-N 1 1 334.410 4.014 20 10 EICDMO C[C@@H]([NH2+]Cc1c(F)cccc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000121015153 1027649463 /nfs/dbraw/zinc/64/94/63/1027649463.db2.gz KJLXWJZXHRNCKU-CQSZACIVSA-N 1 1 348.849 4.167 20 10 EICDMO CC[C@H](C)Oc1cc(C[NH2+]Cc2c(O)cccc2F)ccc1OC ZINC000896639296 1027756572 /nfs/dbraw/zinc/75/65/72/1027756572.db2.gz CQITYVBUHQAPJH-ZDUSSCGKSA-N 1 1 333.403 4.007 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)cc1 ZINC001167646576 1027827620 /nfs/dbraw/zinc/82/76/20/1027827620.db2.gz FILFNAZGDGJDLP-GOSISDBHSA-N 1 1 346.515 4.087 20 10 EICDMO C[C@H]([NH2+][C@H](c1nccs1)c1ccccc1)c1cc(F)ccc1O ZINC000185235807 1030133898 /nfs/dbraw/zinc/13/38/98/1030133898.db2.gz CFWQIUQJOBVHJH-SJCJKPOMSA-N 1 1 328.412 4.428 20 10 EICDMO CC[C@@H]([NH2+][C@H](c1ccc(OC)nc1)C1CC1)c1ccc(F)cc1O ZINC000528043403 1031058902 /nfs/dbraw/zinc/05/89/02/1031058902.db2.gz OMJJQGUVDBAXAA-APWZRJJASA-N 1 1 330.403 4.127 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c1O ZINC000761200500 1036031161 /nfs/dbraw/zinc/03/11/61/1036031161.db2.gz UTYHZLKMLVGLTI-GFCCVEGCSA-N 1 1 335.806 4.183 20 10 EICDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2cc(C)c(C)cc2O)c1 ZINC000016873916 1037767215 /nfs/dbraw/zinc/76/72/15/1037767215.db2.gz KITDFJPYVORJBF-IBGZPJMESA-N 1 1 341.451 4.363 20 10 EICDMO COc1ccccc1-c1nc(C[N@H+](C)Cc2ccccc2O)cs1 ZINC000171936678 1037778826 /nfs/dbraw/zinc/77/88/26/1037778826.db2.gz GWDGBRSDVTVLJB-UHFFFAOYSA-N 1 1 340.448 4.156 20 10 EICDMO COc1ccccc1-c1nc(C[N@@H+](C)Cc2ccccc2O)cs1 ZINC000171936678 1037778842 /nfs/dbraw/zinc/77/88/42/1037778842.db2.gz GWDGBRSDVTVLJB-UHFFFAOYSA-N 1 1 340.448 4.156 20 10 EICDMO COc1ccc2ccc(O)c(C[N@H+]3CCO[C@H](c4ccccc4)C3)c2c1 ZINC000029892571 1042430851 /nfs/dbraw/zinc/43/08/51/1042430851.db2.gz GXMIQMWTNBGHQF-QFIPXVFZSA-N 1 1 349.430 4.128 20 10 EICDMO CC(C)COC[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccco1 ZINC000152579243 1042904775 /nfs/dbraw/zinc/90/47/75/1042904775.db2.gz ZOLAFSLHXSXZMZ-QFBILLFUSA-N 1 1 330.472 4.410 20 10 EICDMO COc1c(O)c(C[NH+](CCC(C)C)CCC(C)C)ccc1[N+](=O)[O-] ZINC001205052410 1043194124 /nfs/dbraw/zinc/19/41/24/1043194124.db2.gz GYMCJRKOYOVCRS-UHFFFAOYSA-N 1 1 338.448 4.203 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc1C ZINC000727423610 1043217845 /nfs/dbraw/zinc/21/78/45/1043217845.db2.gz JUZAQMXKKHHBMY-LJQANCHMSA-N 1 1 349.833 4.375 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc1C ZINC000727423610 1043217855 /nfs/dbraw/zinc/21/78/55/1043217855.db2.gz JUZAQMXKKHHBMY-LJQANCHMSA-N 1 1 349.833 4.375 20 10 EICDMO C[C@H](CNCc1ccc(N2CCCCC2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000727643655 1043255046 /nfs/dbraw/zinc/25/50/46/1043255046.db2.gz BCZZHMPJYMETDS-RTBURBONSA-N 1 1 329.532 4.029 20 10 EICDMO C[C@H](CNCc1ccc(N2CCCCC2)cc1)[N@H+]1CCCC[C@H]1C ZINC000727643655 1043255051 /nfs/dbraw/zinc/25/50/51/1043255051.db2.gz BCZZHMPJYMETDS-RTBURBONSA-N 1 1 329.532 4.029 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)Cc1cc(C(C)=O)ccc1OCC ZINC000727831314 1043311120 /nfs/dbraw/zinc/31/11/20/1043311120.db2.gz VQLRIPVELQWMIK-UHFFFAOYSA-N 1 1 341.451 4.406 20 10 EICDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C)cc(C)c2O)c(OC)c1 ZINC000732487102 1043925100 /nfs/dbraw/zinc/92/51/00/1043925100.db2.gz HUOYENOTGILZOE-IBGZPJMESA-N 1 1 341.451 4.363 20 10 EICDMO C[C@H]([NH2+]CCCCC(=O)OCc1ccccc1)c1ccc(F)cc1O ZINC000186520508 1044249909 /nfs/dbraw/zinc/24/99/09/1044249909.db2.gz LUQLAGYMXQJLSI-HNNXBMFYSA-N 1 1 345.414 4.096 20 10 EICDMO C[C@@H]([NH2+]C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1)c1ccccc1O ZINC001168030475 1044795004 /nfs/dbraw/zinc/79/50/04/1044795004.db2.gz VXOVCLHXSKLGSP-OKZBNKHCSA-N 1 1 338.495 4.484 20 10 EICDMO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2cc3c(cc2O)CCC3)c1 ZINC000735485392 1044825687 /nfs/dbraw/zinc/82/56/87/1044825687.db2.gz PAIPKKCXTGANHU-OAQYLSRUSA-N 1 1 336.479 4.284 20 10 EICDMO Cc1cnc(CC[N@H+](C)Cc2ccc(N3CCCCC3)cc2)s1 ZINC000093773480 1044852906 /nfs/dbraw/zinc/85/29/06/1044852906.db2.gz HIKCCANPTJOQBL-UHFFFAOYSA-N 1 1 329.513 4.116 20 10 EICDMO C[NH+](C)CC1CC[NH+](Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000738075589 1045031160 /nfs/dbraw/zinc/03/11/60/1045031160.db2.gz FSFHMXBPNCXEEZ-UHFFFAOYSA-N 1 1 338.451 4.065 20 10 EICDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3cccc(Cl)c3)C1)CCC2 ZINC000767500602 1045545839 /nfs/dbraw/zinc/54/58/39/1045545839.db2.gz DSGSMAGHVZFSJH-HXUWFJFHSA-N 1 1 343.854 4.108 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](c3cccc(Cl)c3)C1)CCC2 ZINC000767500602 1045545856 /nfs/dbraw/zinc/54/58/56/1045545856.db2.gz DSGSMAGHVZFSJH-HXUWFJFHSA-N 1 1 343.854 4.108 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H](C)c2cccc(O)c2)c1 ZINC000767730435 1045620229 /nfs/dbraw/zinc/62/02/29/1045620229.db2.gz ZZGDJBKYUHOMLK-NSHDSACASA-N 1 1 336.229 4.020 20 10 EICDMO CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790991335 1045647513 /nfs/dbraw/zinc/64/75/13/1045647513.db2.gz VBFRFXMUQJFNPQ-BMLIUANNSA-N 1 1 341.785 4.190 20 10 EICDMO CSc1ccc(F)cc1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790971879 1045660703 /nfs/dbraw/zinc/66/07/03/1045660703.db2.gz XNOLDZLDYACIOV-UHFFFAOYSA-N 1 1 329.799 4.336 20 10 EICDMO COc1ccc(N2CCC[N@@H+](Cc3cc4ccccc4o3)CC2)cc1 ZINC000767890913 1045663118 /nfs/dbraw/zinc/66/31/18/1045663118.db2.gz MPTCNLKNUVUPIU-UHFFFAOYSA-N 1 1 336.435 4.154 20 10 EICDMO COc1ccc([N@H+](CCC(C)C)CC2CCC3(CC2)OCCO3)cc1 ZINC001169979926 1045704350 /nfs/dbraw/zinc/70/43/50/1045704350.db2.gz UEFJRJCHJBIZTD-UHFFFAOYSA-N 1 1 347.499 4.481 20 10 EICDMO COc1ccc([N@@H+](CCC(C)C)CC2CCC3(CC2)OCCO3)cc1 ZINC001169979926 1045704364 /nfs/dbraw/zinc/70/43/64/1045704364.db2.gz UEFJRJCHJBIZTD-UHFFFAOYSA-N 1 1 347.499 4.481 20 10 EICDMO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000798183264 1045705835 /nfs/dbraw/zinc/70/58/35/1045705835.db2.gz XUVWOTYRLPSXKV-GYSYKLTISA-N 1 1 343.345 4.167 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1C1CC1 ZINC000768207326 1045743672 /nfs/dbraw/zinc/74/36/72/1045743672.db2.gz CRMHNZGWSKLDBX-UHFFFAOYSA-N 1 1 336.479 4.033 20 10 EICDMO Cc1cc(C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)ccc1N(C)C ZINC000768231653 1045759329 /nfs/dbraw/zinc/75/93/29/1045759329.db2.gz OXIGUOYZNJTZFS-NSHDSACASA-N 1 1 343.418 4.387 20 10 EICDMO Cc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000768269499 1045772415 /nfs/dbraw/zinc/77/24/15/1045772415.db2.gz UESLIIDCTWNGHK-LJQANCHMSA-N 1 1 338.495 4.333 20 10 EICDMO CCC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@H]1CCc2ccccc21 ZINC000768445077 1045807100 /nfs/dbraw/zinc/80/71/00/1045807100.db2.gz PZFBGPFCIILMQT-SFHVURJKSA-N 1 1 341.451 4.309 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cc1OC ZINC000768447071 1045809099 /nfs/dbraw/zinc/80/90/99/1045809099.db2.gz MBFZSFGZMQDNCA-MRXNPFEDSA-N 1 1 349.377 4.025 20 10 EICDMO CCC[N@@H+](Cc1cc2c(cc1O)OCO2)[C@H](C)c1ccccc1OC ZINC000768479537 1045809406 /nfs/dbraw/zinc/80/94/06/1045809406.db2.gz RZZHHOSCZYQFLK-CQSZACIVSA-N 1 1 343.423 4.103 20 10 EICDMO COc1cc(O)c(C[N@H+]2C[C@@H](C)C[C@@H]2c2ccccc2F)cc1OC ZINC000768464835 1045810433 /nfs/dbraw/zinc/81/04/33/1045810433.db2.gz BCLSYIHIOJFAIW-SUMWQHHRSA-N 1 1 345.414 4.132 20 10 EICDMO Cc1cc(Cl)ccc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000768504000 1045812431 /nfs/dbraw/zinc/81/24/31/1045812431.db2.gz AZMVWTJIHOJMOD-UHFFFAOYSA-N 1 1 344.886 4.117 20 10 EICDMO CCOc1cccc(C[N@@H+](CC)[C@H](C)c2cccc(OC)c2)c1O ZINC000768520133 1045819526 /nfs/dbraw/zinc/81/95/26/1045819526.db2.gz ZGABCXNRNAGXQA-OAHLLOKOSA-N 1 1 329.440 4.383 20 10 EICDMO COc1cc(Br)cc(C[N@@H+](C)[C@H](C)C(C)(C)C)c1O ZINC000768545153 1045822429 /nfs/dbraw/zinc/82/24/29/1045822429.db2.gz TYLBZJGJMGAZHI-SNVBAGLBSA-N 1 1 330.266 4.030 20 10 EICDMO CCCOc1c(C[N@@H+](C)Cc2ccccc2O)cccc1OCC ZINC000768872140 1045849265 /nfs/dbraw/zinc/84/92/65/1045849265.db2.gz DSGPJWCGRMANKG-UHFFFAOYSA-N 1 1 329.440 4.212 20 10 EICDMO CN(Cc1ccc(Br)o1)Cc1c(O)ccc(Cl)c1F ZINC000792163363 1045869968 /nfs/dbraw/zinc/86/99/68/1045869968.db2.gz XFLDLHKJAKQRMI-UHFFFAOYSA-N 1 1 348.599 4.172 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000792167772 1045872602 /nfs/dbraw/zinc/87/26/02/1045872602.db2.gz QWMDTQLUZRUMRV-KRWDZBQOSA-N 1 1 335.806 4.148 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000792167772 1045872607 /nfs/dbraw/zinc/87/26/07/1045872607.db2.gz QWMDTQLUZRUMRV-KRWDZBQOSA-N 1 1 335.806 4.148 20 10 EICDMO COc1ccc(N2CCC[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 ZINC000768999156 1045874716 /nfs/dbraw/zinc/87/47/16/1045874716.db2.gz UJXMZPUCQNPPOD-UGKGYDQZSA-N 1 1 336.479 4.011 20 10 EICDMO COc1cccc(O)c1C[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000792193084 1045875755 /nfs/dbraw/zinc/87/57/55/1045875755.db2.gz QENKDHPADKATPF-UHFFFAOYSA-N 1 1 339.357 4.355 20 10 EICDMO Oc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(Br)c2O)cc1 ZINC000769107596 1045880841 /nfs/dbraw/zinc/88/08/41/1045880841.db2.gz YOUGIVAFHOHFBW-MRXNPFEDSA-N 1 1 348.240 4.197 20 10 EICDMO Oc1ccc([C@H]2CCC[N@H+]2Cc2cccc(Br)c2O)cc1 ZINC000769107596 1045880845 /nfs/dbraw/zinc/88/08/45/1045880845.db2.gz YOUGIVAFHOHFBW-MRXNPFEDSA-N 1 1 348.240 4.197 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000769148013 1045885335 /nfs/dbraw/zinc/88/53/35/1045885335.db2.gz VHPDSYRIWBWCJW-SFHVURJKSA-N 1 1 330.497 4.168 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000769148013 1045885341 /nfs/dbraw/zinc/88/53/41/1045885341.db2.gz VHPDSYRIWBWCJW-SFHVURJKSA-N 1 1 330.497 4.168 20 10 EICDMO CCOc1ccc(C[N@H+]2CCS[C@H](c3ccccc3)C2)c(O)c1 ZINC000769426894 1045959875 /nfs/dbraw/zinc/95/98/75/1045959875.db2.gz JZOHHESKESAJLY-IBGZPJMESA-N 1 1 329.465 4.081 20 10 EICDMO CCN1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccccc3)ccc2O)[C@@H](C)C1 ZINC000769482763 1045969239 /nfs/dbraw/zinc/96/92/39/1045969239.db2.gz DYWYWNIQRSLXSU-LAUBAEHRSA-N 1 1 338.495 4.221 20 10 EICDMO CCN1CC[C@@H]([N@H+](C)Cc2cc(-c3ccccc3)ccc2O)[C@@H](C)C1 ZINC000769482763 1045969226 /nfs/dbraw/zinc/96/92/26/1045969226.db2.gz DYWYWNIQRSLXSU-LAUBAEHRSA-N 1 1 338.495 4.221 20 10 EICDMO CCOc1ccc(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)c(O)c1 ZINC000769476118 1045992080 /nfs/dbraw/zinc/99/20/80/1045992080.db2.gz WHWBONVTIAZHLC-KKSFZXQISA-N 1 1 341.451 4.061 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)c1 ZINC000769474911 1045992172 /nfs/dbraw/zinc/99/21/72/1045992172.db2.gz SZAPBCADSGPMPO-IIBYNOLFSA-N 1 1 341.451 4.061 20 10 EICDMO Oc1ccc(Br)cc1C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000769499927 1045997552 /nfs/dbraw/zinc/99/75/52/1045997552.db2.gz XTYKGXTYRPOKEI-UKRRQHHQSA-N 1 1 342.302 4.015 20 10 EICDMO Oc1c(Br)cccc1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000769499865 1045997719 /nfs/dbraw/zinc/99/77/19/1045997719.db2.gz WZLCDKXDSSWZJR-KGLIPLIRSA-N 1 1 342.302 4.015 20 10 EICDMO Oc1c(Br)cccc1C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000769499865 1045997726 /nfs/dbraw/zinc/99/77/26/1045997726.db2.gz WZLCDKXDSSWZJR-KGLIPLIRSA-N 1 1 342.302 4.015 20 10 EICDMO CCCN(CCC)c1ccc(C[N@H+]2CCC3(C2)CCOCC3)cc1 ZINC000769539417 1046012156 /nfs/dbraw/zinc/01/21/56/1046012156.db2.gz JIRJRPNWRUGMOV-UHFFFAOYSA-N 1 1 330.516 4.316 20 10 EICDMO CN(C)c1cccc(C[N@@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)c1 ZINC000769852556 1046092809 /nfs/dbraw/zinc/09/28/09/1046092809.db2.gz ICTQWXBCCHTSNR-UHFFFAOYSA-N 1 1 342.483 4.093 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1F ZINC000770293934 1046172897 /nfs/dbraw/zinc/17/28/97/1046172897.db2.gz ZTJNSLLOBPSKEQ-QAPCUYQASA-N 1 1 348.487 4.041 20 10 EICDMO Cn1cc(C[N@@H+](Cc2ccccc2O)C2CCCC2)c(C(F)F)n1 ZINC000770651681 1046251432 /nfs/dbraw/zinc/25/14/32/1046251432.db2.gz BKMYALYLYDFCFG-UHFFFAOYSA-N 1 1 335.398 4.008 20 10 EICDMO Cc1nc2ccccc2nc1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000917074774 1046638531 /nfs/dbraw/zinc/63/85/31/1046638531.db2.gz GFWUDJLREOXKPK-UHFFFAOYSA-N 1 1 348.494 4.415 20 10 EICDMO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1c(O)ccc2ccncc21 ZINC000785518254 1046701890 /nfs/dbraw/zinc/70/18/90/1046701890.db2.gz WUEQWEOBZWWEOW-UHFFFAOYSA-N 1 1 331.419 4.444 20 10 EICDMO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1nc(C(F)(F)F)cs1 ZINC000785607036 1046718907 /nfs/dbraw/zinc/71/89/07/1046718907.db2.gz ODTFRVHYONSWEX-ZETCQYMHSA-N 1 1 336.766 4.372 20 10 EICDMO Cc1nc(F)ccc1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000787044317 1046899817 /nfs/dbraw/zinc/89/98/17/1046899817.db2.gz ZSOCKMIUBKWJNY-UHFFFAOYSA-N 1 1 327.447 4.151 20 10 EICDMO Oc1ccc2ccncc2c1C[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000917475821 1046900980 /nfs/dbraw/zinc/90/09/80/1046900980.db2.gz YTEJIGWWYZTPAQ-UHFFFAOYSA-N 1 1 340.373 4.383 20 10 EICDMO CCOc1cccc(C[N@@H+](C)[C@H](COC)c2ccc(Cl)cc2)c1O ZINC000787332749 1046978951 /nfs/dbraw/zinc/97/89/51/1046978951.db2.gz ODODYRIJWMNOGJ-QGZVFWFLSA-N 1 1 349.858 4.264 20 10 EICDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000746716173 1047073555 /nfs/dbraw/zinc/07/35/55/1047073555.db2.gz NCAVKDMQDIXSIB-INIZCTEOSA-N 1 1 325.452 4.385 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132530 1047128364 /nfs/dbraw/zinc/12/83/64/1047128364.db2.gz XKKHOKBQFBXWGY-ARFHVFGLSA-N 1 1 343.298 4.367 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132530 1047128376 /nfs/dbraw/zinc/12/83/76/1047128376.db2.gz XKKHOKBQFBXWGY-ARFHVFGLSA-N 1 1 343.298 4.367 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132533 1047129247 /nfs/dbraw/zinc/12/92/47/1047129247.db2.gz XKKHOKBQFBXWGY-XHSDSOJGSA-N 1 1 343.298 4.367 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132533 1047129270 /nfs/dbraw/zinc/12/92/70/1047129270.db2.gz XKKHOKBQFBXWGY-XHSDSOJGSA-N 1 1 343.298 4.367 20 10 EICDMO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788602257 1047243033 /nfs/dbraw/zinc/24/30/33/1047243033.db2.gz APHVJBYYQOBMFG-DTWKUNHWSA-N 1 1 328.334 4.428 20 10 EICDMO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cccc(C(F)(F)F)c1O ZINC000788604027 1047245189 /nfs/dbraw/zinc/24/51/89/1047245189.db2.gz SMBAKPWVWKCFOQ-BMIGLBTASA-N 1 1 345.386 4.031 20 10 EICDMO C[C@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1O ZINC000788615170 1047249641 /nfs/dbraw/zinc/24/96/41/1047249641.db2.gz WBIVWGWWPFGKKD-JKSUJKDBSA-N 1 1 328.431 4.099 20 10 EICDMO COc1ccc(C[C@@H]2CCC[N@@H+](Cc3cc(F)c(F)cc3[O-])C2)cc1 ZINC001142527587 1047527683 /nfs/dbraw/zinc/52/76/83/1047527683.db2.gz ZXOJJQDLSSURQL-HNNXBMFYSA-N 1 1 347.405 4.134 20 10 EICDMO COc1ccc(C[C@@H]2CCC[N@H+](Cc3cc(F)c(F)cc3O)C2)cc1 ZINC001142527587 1047527693 /nfs/dbraw/zinc/52/76/93/1047527693.db2.gz ZXOJJQDLSSURQL-HNNXBMFYSA-N 1 1 347.405 4.134 20 10 EICDMO COc1ccc(C[C@@H]2CCC[N@@H+](Cc3cc(F)c(F)cc3O)C2)cc1 ZINC001142527587 1047527699 /nfs/dbraw/zinc/52/76/99/1047527699.db2.gz ZXOJJQDLSSURQL-HNNXBMFYSA-N 1 1 347.405 4.134 20 10 EICDMO CCc1ccc([C@H]2C[N@@H+](Cc3c(O)ccc4ccncc43)CCO2)cc1 ZINC000790458658 1047592508 /nfs/dbraw/zinc/59/25/08/1047592508.db2.gz CWYJFGSTAJMVOL-JOCHJYFZSA-N 1 1 348.446 4.076 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H](c2ccncc2)C2CC2)c1 ZINC000898321983 1047616783 /nfs/dbraw/zinc/61/67/83/1047616783.db2.gz GBPYXBPEHHUNCG-MRXNPFEDSA-N 1 1 347.256 4.099 20 10 EICDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCC[C@](C)(O)CC2)cc1 ZINC000824314007 1047853281 /nfs/dbraw/zinc/85/32/81/1047853281.db2.gz FTRVOVHFGKUTPR-FQEVSTJZSA-N 1 1 344.524 4.121 20 10 EICDMO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H]2CCn3ccnc32)cc1 ZINC000824522356 1047880176 /nfs/dbraw/zinc/88/01/76/1047880176.db2.gz VKCUZYWJRSJXSC-NRFANRHFSA-N 1 1 346.478 4.144 20 10 EICDMO CCN(CC)c1ccc(CN[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000808425510 1047889135 /nfs/dbraw/zinc/88/91/35/1047889135.db2.gz FZWPIFOIBQWDDJ-OAQYLSRUSA-N 1 1 343.490 4.064 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)c1 ZINC000808444597 1047909266 /nfs/dbraw/zinc/90/92/66/1047909266.db2.gz OUXMLMXBFRSWLU-BZNIZROVSA-N 1 1 348.240 4.075 20 10 EICDMO CCn1ccnc1[C@H](C)[NH2+]Cc1cc(C)n(-c2cccc(C)c2)c1C ZINC000825005733 1048009420 /nfs/dbraw/zinc/00/94/20/1048009420.db2.gz QTJBBAIBLJZFBX-KRWDZBQOSA-N 1 1 336.483 4.470 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000825084614 1048031905 /nfs/dbraw/zinc/03/19/05/1048031905.db2.gz GGXOXVIOPPYGNG-IAQYHMDHSA-N 1 1 341.835 4.256 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)cc1OC ZINC000825215573 1048051358 /nfs/dbraw/zinc/05/13/58/1048051358.db2.gz RBHDCNCNPUPGSR-INIZCTEOSA-N 1 1 349.377 4.025 20 10 EICDMO COC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)c1cccc(Cl)c1 ZINC000808731785 1048095223 /nfs/dbraw/zinc/09/52/23/1048095223.db2.gz ALGBVUMYAFBDLY-HWPZZCPQSA-N 1 1 341.785 4.362 20 10 EICDMO COc1cc(C[N@@H+](C)Cc2cc(C(C)C)c(C)cc2O)cc(OC)c1 ZINC000919954230 1048339458 /nfs/dbraw/zinc/33/94/58/1048339458.db2.gz SYSULGCTGZMHNS-UHFFFAOYSA-N 1 1 343.467 4.473 20 10 EICDMO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815105193 1048345936 /nfs/dbraw/zinc/34/59/36/1048345936.db2.gz HFXIZZPQQZCJOQ-LJQANCHMSA-N 1 1 326.488 4.005 20 10 EICDMO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815105193 1048345952 /nfs/dbraw/zinc/34/59/52/1048345952.db2.gz HFXIZZPQQZCJOQ-LJQANCHMSA-N 1 1 326.488 4.005 20 10 EICDMO Cc1cc(O)c(C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1C ZINC000809768600 1048502963 /nfs/dbraw/zinc/50/29/63/1048502963.db2.gz PZNDBBWIEWBNKH-FUHWJXTLSA-N 1 1 343.492 4.010 20 10 EICDMO C[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cccc(C(F)(F)F)c1O ZINC000815556519 1048507012 /nfs/dbraw/zinc/50/70/12/1048507012.db2.gz XGAYQKIBWWSZNL-DGCLKSJQSA-N 1 1 337.341 4.065 20 10 EICDMO C[C@H]([NH2+][C@@H]1CCc2c1cccc2O)c1cccc(C(F)(F)F)c1O ZINC000815576286 1048516317 /nfs/dbraw/zinc/51/63/17/1048516317.db2.gz NNSQXEHOCZWWJY-ZUZCIYMTSA-N 1 1 337.341 4.455 20 10 EICDMO Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815579131 1048518373 /nfs/dbraw/zinc/51/83/73/1048518373.db2.gz FPKGIYMBIYPTER-BLLLJJGKSA-N 1 1 339.357 4.104 20 10 EICDMO CCCn1ccnc1CCC[N@@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000809755586 1048519311 /nfs/dbraw/zinc/51/93/11/1048519311.db2.gz LXILWFKSXPKNNL-UHFFFAOYSA-N 1 1 335.879 4.025 20 10 EICDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000809756643 1048519798 /nfs/dbraw/zinc/51/97/98/1048519798.db2.gz HQUYQNVGFCKINW-NRFANRHFSA-N 1 1 325.452 4.186 20 10 EICDMO CC[C@H](c1ccncc1)[N@H+](C)Cc1cc(C)cc(Br)c1O ZINC000809765225 1048523814 /nfs/dbraw/zinc/52/38/14/1048523814.db2.gz LLRZPAXMDYMEHS-MRXNPFEDSA-N 1 1 349.272 4.441 20 10 EICDMO CC[C@H](c1ccncc1)[N@@H+](C)Cc1cc(C)cc(Br)c1O ZINC000809765225 1048523828 /nfs/dbraw/zinc/52/38/28/1048523828.db2.gz LLRZPAXMDYMEHS-MRXNPFEDSA-N 1 1 349.272 4.441 20 10 EICDMO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1cccc(C(F)(F)F)c1O ZINC000815583621 1048524185 /nfs/dbraw/zinc/52/41/85/1048524185.db2.gz KJNDNNIGDYGCIE-SPGJAERMSA-N 1 1 343.389 4.265 20 10 EICDMO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1cccc(C(F)(F)F)c1O ZINC000815589289 1048525693 /nfs/dbraw/zinc/52/56/93/1048525693.db2.gz ODSXCBUDGWNSQJ-FATJJJSSSA-N 1 1 329.362 4.019 20 10 EICDMO CCOc1cccc(C[N@@H+](C)[C@@H](CC)c2ccccc2OC)c1O ZINC000809780615 1048529795 /nfs/dbraw/zinc/52/97/95/1048529795.db2.gz DOMGVBZEGFOLJC-KRWDZBQOSA-N 1 1 329.440 4.383 20 10 EICDMO CCOc1ccc(C[N@@H+]2CCCn3c(cc4ccccc43)C2)c(O)c1 ZINC000809782787 1048532454 /nfs/dbraw/zinc/53/24/54/1048532454.db2.gz HEWZWGMDEWSZNW-UHFFFAOYSA-N 1 1 336.435 4.152 20 10 EICDMO CCOc1ccc(C[N@H+]2CCCn3c(cc4ccccc43)C2)c(O)c1 ZINC000809782787 1048532469 /nfs/dbraw/zinc/53/24/69/1048532469.db2.gz HEWZWGMDEWSZNW-UHFFFAOYSA-N 1 1 336.435 4.152 20 10 EICDMO C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1cccc(C(F)(F)F)c1O ZINC000815574727 1048538436 /nfs/dbraw/zinc/53/84/36/1048538436.db2.gz ARLVHBQTBVZEJL-XHDPSFHLSA-N 1 1 331.378 4.003 20 10 EICDMO C[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1cccc(C(F)(F)F)c1O ZINC000815614276 1048541178 /nfs/dbraw/zinc/54/11/78/1048541178.db2.gz KYSZOLKWBMZLHL-ZWNOBZJWSA-N 1 1 331.378 4.408 20 10 EICDMO C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1cccc(C(F)(F)F)c1O ZINC000815627047 1048551923 /nfs/dbraw/zinc/55/19/23/1048551923.db2.gz RRMFPQJMKAVWIN-VXGBXAGGSA-N 1 1 337.341 4.238 20 10 EICDMO CSc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(F)cc2O)N(C)C)cc1 ZINC000815659463 1048560994 /nfs/dbraw/zinc/56/09/94/1048560994.db2.gz CFYMENPBALFVQC-FZKQIMNGSA-N 1 1 348.487 4.207 20 10 EICDMO CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](CC)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000810212447 1048682794 /nfs/dbraw/zinc/68/27/94/1048682794.db2.gz BCUAUCKZNUHZJU-XJKSGUPXSA-N 1 1 344.421 4.184 20 10 EICDMO CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000810212447 1048682800 /nfs/dbraw/zinc/68/28/00/1048682800.db2.gz BCUAUCKZNUHZJU-XJKSGUPXSA-N 1 1 344.421 4.184 20 10 EICDMO CC[C@H]([NH2+]CC1CC[NH+](CC)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215653 1048684376 /nfs/dbraw/zinc/68/43/76/1048684376.db2.gz IZHHMFVECAPVSH-INIZCTEOSA-N 1 1 344.421 4.184 20 10 EICDMO CC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215654 1048684679 /nfs/dbraw/zinc/68/46/79/1048684679.db2.gz IZHHMFVECAPVSH-MRXNPFEDSA-N 1 1 344.421 4.184 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1cccnc1C(F)(F)F ZINC001144531615 1048715967 /nfs/dbraw/zinc/71/59/67/1048715967.db2.gz PIBNLYCLVGIWMJ-UHFFFAOYSA-N 1 1 349.400 4.333 20 10 EICDMO CC[C@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(F)cc1O ZINC000810250544 1048730294 /nfs/dbraw/zinc/73/02/94/1048730294.db2.gz NDIHIOQXEAKRQW-KPFFTGBYSA-N 1 1 329.415 4.492 20 10 EICDMO COc1ccc(O)c([C@H](C)NC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)c1 ZINC000845973100 1048772138 /nfs/dbraw/zinc/77/21/38/1048772138.db2.gz XJTMCZFEYXTUCF-FTRWYGJKSA-N 1 1 346.515 4.095 20 10 EICDMO OCCC[N@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCc2ccccc21 ZINC000816510969 1048822522 /nfs/dbraw/zinc/82/25/22/1048822522.db2.gz KXRQMPIFGPMAOA-GOSISDBHSA-N 1 1 349.833 4.057 20 10 EICDMO OCCC[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCc2ccccc21 ZINC000816510969 1048822525 /nfs/dbraw/zinc/82/25/25/1048822525.db2.gz KXRQMPIFGPMAOA-GOSISDBHSA-N 1 1 349.833 4.057 20 10 EICDMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816513120 1048823416 /nfs/dbraw/zinc/82/34/16/1048823416.db2.gz HHVKVYHUXCOAPR-OAQYLSRUSA-N 1 1 333.431 4.427 20 10 EICDMO CCc1cccc2c1OCC[C@H]2[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816548863 1048828097 /nfs/dbraw/zinc/82/80/97/1048828097.db2.gz VMRXKHJQDAYELS-MRXNPFEDSA-N 1 1 335.806 4.361 20 10 EICDMO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816551070 1048828570 /nfs/dbraw/zinc/82/85/70/1048828570.db2.gz NXNYIYCOCPNSGC-SECBINFHSA-N 1 1 327.758 4.183 20 10 EICDMO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1cccc(-n2cccn2)c1 ZINC000816553970 1048833537 /nfs/dbraw/zinc/83/35/37/1048833537.db2.gz LMCDFBSOPWJXGG-LBPRGKRZSA-N 1 1 345.805 4.221 20 10 EICDMO CCCCCn1cc(C[NH2+]Cc2cc(Cl)c(F)cc2O)c(C)n1 ZINC000816559952 1048836124 /nfs/dbraw/zinc/83/61/24/1048836124.db2.gz ZVMMPRRLRGKOLH-UHFFFAOYSA-N 1 1 339.842 4.170 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1nc2ccccc2n1C1CC1 ZINC000816569441 1048837638 /nfs/dbraw/zinc/83/76/38/1048837638.db2.gz LULNMUFXBVXTFC-UHFFFAOYSA-N 1 1 345.805 4.159 20 10 EICDMO c1ccc([C@H]2[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC23CCC3)cc1 ZINC000816630501 1048840254 /nfs/dbraw/zinc/84/02/54/1048840254.db2.gz GKERGJXPQAQHQV-JOCHJYFZSA-N 1 1 348.490 4.250 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000816593704 1048841250 /nfs/dbraw/zinc/84/12/50/1048841250.db2.gz AYBQJEAZMMZWKL-AWEZNQCLSA-N 1 1 348.849 4.191 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000816614641 1048845000 /nfs/dbraw/zinc/84/50/00/1048845000.db2.gz BBZOEYNTSPGKRK-KDOFPFPSSA-N 1 1 335.806 4.195 20 10 EICDMO Cc1cc(Br)cc(CNc2cccc(C3CC3)[nH+]2)c1O ZINC000816636139 1048846887 /nfs/dbraw/zinc/84/68/87/1048846887.db2.gz IJXFDOHORPEZOA-UHFFFAOYSA-N 1 1 333.229 4.348 20 10 EICDMO CC(C)(C)c1cc(C[N@H+]2CCC[C@H](O)CC2)c(O)c(C(C)(C)C)c1 ZINC000816667448 1048851625 /nfs/dbraw/zinc/85/16/25/1048851625.db2.gz NMMFJKFNFQYFNA-KRWDZBQOSA-N 1 1 333.516 4.334 20 10 EICDMO CC[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817984941 1049080467 /nfs/dbraw/zinc/08/04/67/1049080467.db2.gz CREFYLTWQPJZQD-DZGCQCFKSA-N 1 1 342.405 4.126 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1C(C)C ZINC000811789496 1049277103 /nfs/dbraw/zinc/27/71/03/1049277103.db2.gz CYAKVMXVWKNQTB-PMACEKPBSA-N 1 1 329.484 4.358 20 10 EICDMO Oc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000773255406 1049674011 /nfs/dbraw/zinc/67/40/11/1049674011.db2.gz AKVBBGATRAVCNN-IRXDYDNUSA-N 1 1 325.452 4.184 20 10 EICDMO Oc1ccc2ccccc2c1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000773255407 1049674980 /nfs/dbraw/zinc/67/49/80/1049674980.db2.gz AKVBBGATRAVCNN-SJORKVTESA-N 1 1 325.452 4.184 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCc3cc(F)c(F)cc3C2)cc1 ZINC001171495479 1049721005 /nfs/dbraw/zinc/72/10/05/1049721005.db2.gz ITNHDDUUIZHISP-GOSISDBHSA-N 1 1 330.422 4.020 20 10 EICDMO C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)c1ccc(F)cc1O ZINC000324803630 1049778926 /nfs/dbraw/zinc/77/89/26/1049778926.db2.gz QCUNWLBALQFPRC-HNAYVOBHSA-N 1 1 328.431 4.019 20 10 EICDMO Cc1ccoc1C[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000813882513 1049830791 /nfs/dbraw/zinc/83/07/91/1049830791.db2.gz AHKSZHJACKVEPM-SECBINFHSA-N 1 1 328.181 4.046 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H]2C[C@@H]2C2CCCC2)c1 ZINC001204090885 1049953252 /nfs/dbraw/zinc/95/32/52/1049953252.db2.gz YUYVRDNWJBRJGO-UKRRQHHQSA-N 1 1 338.289 4.379 20 10 EICDMO C[C@@H](NC(C)(C)C[NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000733900815 1050233519 /nfs/dbraw/zinc/23/35/19/1050233519.db2.gz KINUCLGOCLANJI-MRXNPFEDSA-N 1 1 343.490 4.111 20 10 EICDMO CCc1cnc(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)s1 ZINC001177733740 1050287806 /nfs/dbraw/zinc/28/78/06/1050287806.db2.gz RZYZJEGNUVMOKT-UHFFFAOYSA-N 1 1 329.513 4.232 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000773755649 1050513544 /nfs/dbraw/zinc/51/35/44/1050513544.db2.gz UYGVUJGOFWMUTB-NRFANRHFSA-N 1 1 338.495 4.181 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1 ZINC000773765492 1050534212 /nfs/dbraw/zinc/53/42/12/1050534212.db2.gz LOSXWIHBHVJKCX-KXBFYZLASA-N 1 1 330.497 4.166 20 10 EICDMO CCN(C)c1ccc(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1 ZINC000773765492 1050534228 /nfs/dbraw/zinc/53/42/28/1050534228.db2.gz LOSXWIHBHVJKCX-KXBFYZLASA-N 1 1 330.497 4.166 20 10 EICDMO Oc1c(Br)cccc1C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000775151537 1050642332 /nfs/dbraw/zinc/64/23/32/1050642332.db2.gz GTBUUOYLZBGDJY-NSCUHMNNSA-N 1 1 336.204 4.097 20 10 EICDMO CCN(CC)c1ccc(CNC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC001179169362 1050646941 /nfs/dbraw/zinc/64/69/41/1050646941.db2.gz YZQKGOLKVRGVDA-NRFANRHFSA-N 1 1 329.532 4.029 20 10 EICDMO CCN(CC)c1ccc(CNC[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC001179169362 1050646950 /nfs/dbraw/zinc/64/69/50/1050646950.db2.gz YZQKGOLKVRGVDA-NRFANRHFSA-N 1 1 329.532 4.029 20 10 EICDMO Cc1cc(O)c(CN2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cc1Cl ZINC001179887936 1050802992 /nfs/dbraw/zinc/80/29/92/1050802992.db2.gz YMWHJDCQLMIBAY-SFHVURJKSA-N 1 1 344.886 4.060 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CC[C@H](N(C)Cc3ccccc3)C2)cc1Cl ZINC001179887936 1050803000 /nfs/dbraw/zinc/80/30/00/1050803000.db2.gz YMWHJDCQLMIBAY-SFHVURJKSA-N 1 1 344.886 4.060 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CC[C@H](N(C)Cc3ccccc3)C2)cc1Cl ZINC001179887936 1050803002 /nfs/dbraw/zinc/80/30/02/1050803002.db2.gz YMWHJDCQLMIBAY-SFHVURJKSA-N 1 1 344.886 4.060 20 10 EICDMO COc1ccc(C[N@@H+](C)[C@H](c2ccccc2)C(C)C)c(O)c1OC ZINC001179892366 1050805116 /nfs/dbraw/zinc/80/51/16/1050805116.db2.gz DVHZGSOWSNSGIQ-SFHVURJKSA-N 1 1 329.440 4.239 20 10 EICDMO C[N@H+](CCCOc1ccc(F)cc1)Cc1c(O)ccc(Cl)c1F ZINC001179984484 1050842705 /nfs/dbraw/zinc/84/27/05/1050842705.db2.gz RDHDYCVULZHJEG-UHFFFAOYSA-N 1 1 341.785 4.225 20 10 EICDMO C[N@@H+](CCCOc1ccc(F)cc1)Cc1c(O)ccc(Cl)c1F ZINC001179984484 1050842708 /nfs/dbraw/zinc/84/27/08/1050842708.db2.gz RDHDYCVULZHJEG-UHFFFAOYSA-N 1 1 341.785 4.225 20 10 EICDMO C[C@@H](C[N@@H+](C)Cc1c(O)cccc1Br)c1ccccc1 ZINC001180072303 1050873245 /nfs/dbraw/zinc/87/32/45/1050873245.db2.gz QHKSORODCDCGOW-ZDUSSCGKSA-N 1 1 334.257 4.390 20 10 EICDMO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc1Cl ZINC001180077732 1050876859 /nfs/dbraw/zinc/87/68/59/1050876859.db2.gz TXIHQIIAFAQBGN-SJKOYZFVSA-N 1 1 337.872 4.378 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc1Cl ZINC001180077732 1050876865 /nfs/dbraw/zinc/87/68/65/1050876865.db2.gz TXIHQIIAFAQBGN-SJKOYZFVSA-N 1 1 337.872 4.378 20 10 EICDMO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1Cl ZINC001180077730 1050877341 /nfs/dbraw/zinc/87/73/41/1050877341.db2.gz TXIHQIIAFAQBGN-PXAZEXFGSA-N 1 1 337.872 4.378 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1Cl ZINC001180077730 1050877351 /nfs/dbraw/zinc/87/73/51/1050877351.db2.gz TXIHQIIAFAQBGN-PXAZEXFGSA-N 1 1 337.872 4.378 20 10 EICDMO CCc1cccc(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)c1O ZINC001180154799 1050903247 /nfs/dbraw/zinc/90/32/47/1050903247.db2.gz XQAVJOXADSLTKY-JXFKEZNVSA-N 1 1 325.452 4.225 20 10 EICDMO COc1cccc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)c1 ZINC000815554433 1050917518 /nfs/dbraw/zinc/91/75/18/1050917518.db2.gz ZHNVWAFLLXABID-LLVKDONJSA-N 1 1 325.330 4.270 20 10 EICDMO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c(O)c1 ZINC001180194881 1050927368 /nfs/dbraw/zinc/92/73/68/1050927368.db2.gz NAAUCZFYXRLMOE-PZJWPPBQSA-N 1 1 325.452 4.300 20 10 EICDMO Cc1ccc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c(O)c1 ZINC001180289288 1050955660 /nfs/dbraw/zinc/95/56/60/1050955660.db2.gz YSEZUMSMUVTSEQ-WIYYLYMNSA-N 1 1 338.495 4.186 20 10 EICDMO Cc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC001180288129 1050956198 /nfs/dbraw/zinc/95/61/98/1050956198.db2.gz BPWMAQZKVNUSNK-CQSZACIVSA-N 1 1 346.268 4.453 20 10 EICDMO COc1cc(C)cc(C[N@@H+](Cc2ccccc2O)C2CCCC2)c1O ZINC001180293210 1050959385 /nfs/dbraw/zinc/95/93/85/1050959385.db2.gz XKHQIAIENWJVIP-UHFFFAOYSA-N 1 1 341.451 4.360 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001180348889 1050961759 /nfs/dbraw/zinc/96/17/59/1050961759.db2.gz FJGHHOBGFROLPT-QAPCUYQASA-N 1 1 344.886 4.046 20 10 EICDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1ccc(Br)o1 ZINC001180392762 1050977393 /nfs/dbraw/zinc/97/73/93/1050977393.db2.gz HQBSPFWADMDLCR-UHFFFAOYSA-N 1 1 337.261 4.049 20 10 EICDMO CCCC[N@@H+](Cc1ccccc1O)Cc1cc(C)cc(OC)c1O ZINC001181184676 1051173644 /nfs/dbraw/zinc/17/36/44/1051173644.db2.gz JVMQXJHDPRYHLK-UHFFFAOYSA-N 1 1 329.440 4.217 20 10 EICDMO Cc1cc(Br)cc(C[N@H+]2CCC=C(c3ccco3)C2)c1O ZINC001181689247 1051267033 /nfs/dbraw/zinc/26/70/33/1051267033.db2.gz XEFMGTHRSPLGRZ-UHFFFAOYSA-N 1 1 348.240 4.345 20 10 EICDMO C[C@@H]([NH2+]Cc1ccccc1CO)c1cc(Cl)c(Cl)cc1O ZINC000774139515 1051460855 /nfs/dbraw/zinc/46/08/55/1051460855.db2.gz MOHYIWTWGJVHKE-SNVBAGLBSA-N 1 1 326.223 4.042 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc(Cl)c(Cl)cc1O ZINC000774165752 1051491257 /nfs/dbraw/zinc/49/12/57/1051491257.db2.gz YEFYZAZIZZBXCF-SNVBAGLBSA-N 1 1 338.234 4.485 20 10 EICDMO Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774183602 1051505765 /nfs/dbraw/zinc/50/57/65/1051505765.db2.gz NHDICFFBOMQVKY-APPDUMDISA-N 1 1 340.250 4.392 20 10 EICDMO Cc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774183608 1051505777 /nfs/dbraw/zinc/50/57/77/1051505777.db2.gz NHDICFFBOMQVKY-PIGZYNQJSA-N 1 1 340.250 4.392 20 10 EICDMO C[N@H+](Cc1nnc(-c2cccc3ccccc32)o1)Cc1ccccc1O ZINC001191683607 1051520993 /nfs/dbraw/zinc/52/09/93/1051520993.db2.gz ZEPDKEHABCMHCO-UHFFFAOYSA-N 1 1 345.402 4.227 20 10 EICDMO C[N@@H+](Cc1nnc(-c2cccc3ccccc32)o1)Cc1ccccc1O ZINC001191683607 1051521008 /nfs/dbraw/zinc/52/10/08/1051521008.db2.gz ZEPDKEHABCMHCO-UHFFFAOYSA-N 1 1 345.402 4.227 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775510037 1051645001 /nfs/dbraw/zinc/64/50/01/1051645001.db2.gz URXSHVOYSOPOGU-GYSYKLTISA-N 1 1 331.287 4.222 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775510037 1051645008 /nfs/dbraw/zinc/64/50/08/1051645008.db2.gz URXSHVOYSOPOGU-GYSYKLTISA-N 1 1 331.287 4.222 20 10 EICDMO CC[C@@H]([NH2+]Cc1nc2ccc(C)cc2[nH]1)c1cc(Cl)ccc1O ZINC000775511659 1051659303 /nfs/dbraw/zinc/65/93/03/1051659303.db2.gz GSOASYGWDDPEKH-CQSZACIVSA-N 1 1 329.831 4.471 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CC[C@](C)(c3cccc(F)c3)C2)c1O ZINC001182755012 1051684029 /nfs/dbraw/zinc/68/40/29/1051684029.db2.gz PHVJCRHNPCBOPF-IBGZPJMESA-N 1 1 349.833 4.357 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC001192444688 1051735367 /nfs/dbraw/zinc/73/53/67/1051735367.db2.gz YJBXLMGOPUQMRG-QGZVFWFLSA-N 1 1 330.859 4.059 20 10 EICDMO COc1ccc(C[N@H+]2CCC[C@H](C3CCCCC3)C2)c(O)c1OC ZINC001183058639 1051780346 /nfs/dbraw/zinc/78/03/46/1051780346.db2.gz GTZSLUBIMYMXOJ-INIZCTEOSA-N 1 1 333.472 4.202 20 10 EICDMO Cc1cnc(C2CC[NH+](Cc3c(O)ccc(Cl)c3F)CC2)s1 ZINC000763675012 1051906584 /nfs/dbraw/zinc/90/65/84/1051906584.db2.gz MCJYHTALLGKJDU-UHFFFAOYSA-N 1 1 340.851 4.329 20 10 EICDMO Cc1cc(Br)c([O-])c(C[N@H+]2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)c1 ZINC001184055920 1051947498 /nfs/dbraw/zinc/94/74/98/1051947498.db2.gz OHMSYHLUOYCTMK-WLLUSJSYSA-N 1 1 348.284 4.107 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)c1 ZINC001184055920 1051947504 /nfs/dbraw/zinc/94/75/04/1051947504.db2.gz OHMSYHLUOYCTMK-WLLUSJSYSA-N 1 1 348.284 4.107 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+]2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)c1 ZINC001184055920 1051947509 /nfs/dbraw/zinc/94/75/09/1051947509.db2.gz OHMSYHLUOYCTMK-WLLUSJSYSA-N 1 1 348.284 4.107 20 10 EICDMO C[C@H]([NH2+]Cc1cccc(Br)c1O)c1cc2cnccc2o1 ZINC001205667776 1052166140 /nfs/dbraw/zinc/16/61/40/1052166140.db2.gz PHEPLLTWFGXYHK-JTQLQIEISA-N 1 1 347.212 4.147 20 10 EICDMO C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ccc(F)cc1O ZINC000184856808 1052265701 /nfs/dbraw/zinc/26/57/01/1052265701.db2.gz QYFNNNIWGPURNU-WMLDXEAASA-N 1 1 332.419 4.002 20 10 EICDMO C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1O ZINC000184911970 1052295281 /nfs/dbraw/zinc/29/52/81/1052295281.db2.gz PCXQRDCRDIFFOO-JTQLQIEISA-N 1 1 329.293 4.281 20 10 EICDMO C[C@@H]([NH2+]CCCCOCCc1ccccc1)c1ccc(F)cc1O ZINC000185072828 1052392308 /nfs/dbraw/zinc/39/23/08/1052392308.db2.gz TYJYBWSCEYIVEW-MRXNPFEDSA-N 1 1 331.431 4.221 20 10 EICDMO Cc1ccc(-c2nc(CC[NH2+][C@H](C)c3ccc(F)cc3O)co2)cc1 ZINC000185304163 1052574757 /nfs/dbraw/zinc/57/47/57/1052574757.db2.gz ZEUKBSQLXWXHSC-CQSZACIVSA-N 1 1 340.398 4.388 20 10 EICDMO COc1ccc(O)c([C@@H](C)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c1 ZINC000185447520 1052607279 /nfs/dbraw/zinc/60/72/79/1052607279.db2.gz GLUCMBUGCNUGJD-HZPDHXFCSA-N 1 1 342.483 4.181 20 10 EICDMO Cc1ccc(OC(F)F)c(C[NH2+][C@H](C)c2ccc(F)cc2O)c1 ZINC000185695170 1052678971 /nfs/dbraw/zinc/67/89/71/1052678971.db2.gz JUDGJEHTTHCEOK-LLVKDONJSA-N 1 1 325.330 4.292 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCc2ccccc21 ZINC000764142638 1053034833 /nfs/dbraw/zinc/03/48/33/1053034833.db2.gz IUTVYQGRNBBMCH-QFIPXVFZSA-N 1 1 336.479 4.033 20 10 EICDMO CC(C)[C@H](O)[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccccc1 ZINC000850395443 1053163803 /nfs/dbraw/zinc/16/38/03/1053163803.db2.gz SHEFINXWIGCDKL-ROUUACIJSA-N 1 1 337.822 4.033 20 10 EICDMO COc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(C)c2O)c(OC)c1 ZINC000775643119 1053306473 /nfs/dbraw/zinc/30/64/73/1053306473.db2.gz TXLPSSFYSXZPJN-UHFFFAOYSA-N 1 1 335.831 4.003 20 10 EICDMO C[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1cc(F)cc(F)c1O ZINC000850569936 1053322518 /nfs/dbraw/zinc/32/25/18/1053322518.db2.gz NVBZNBHYUNIOLA-MRVPVSSYSA-N 1 1 347.283 4.262 20 10 EICDMO C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc2ccccc2c1[O-] ZINC000850581513 1053331705 /nfs/dbraw/zinc/33/17/05/1053331705.db2.gz FZVFIRNKDHOLKB-INIZCTEOSA-N 1 1 338.495 4.318 20 10 EICDMO C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)c1ccccc1 ZINC000850584611 1053334569 /nfs/dbraw/zinc/33/45/69/1053334569.db2.gz RXOJDSPQTXLAEW-HWWQOWPSSA-N 1 1 339.357 4.184 20 10 EICDMO C[C@H](O)[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)c1ccccc1 ZINC000850584618 1053335293 /nfs/dbraw/zinc/33/52/93/1053335293.db2.gz RXOJDSPQTXLAEW-MKBNYLNASA-N 1 1 339.357 4.184 20 10 EICDMO Oc1c(Br)cccc1CNc1cc[nH+]c2ccsc21 ZINC000764934856 1053385546 /nfs/dbraw/zinc/38/55/46/1053385546.db2.gz OLSZJWPEPKXPKH-UHFFFAOYSA-N 1 1 335.226 4.377 20 10 EICDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000775654889 1053392337 /nfs/dbraw/zinc/39/23/37/1053392337.db2.gz QKAOSCCFCFCPHZ-MRXNPFEDSA-N 1 1 336.435 4.262 20 10 EICDMO Cc1cccc(C[N@@H+](C)Cc2cc(Br)cs2)c1O ZINC000775654231 1053397984 /nfs/dbraw/zinc/39/79/84/1053397984.db2.gz IYEKZTVJMYYSNI-UHFFFAOYSA-N 1 1 326.259 4.157 20 10 EICDMO CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001195423026 1053410337 /nfs/dbraw/zinc/41/03/37/1053410337.db2.gz BTGBCVRMOVOBTP-PZJWPPBQSA-N 1 1 342.527 4.171 20 10 EICDMO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+](C)Cc1ccccc1O ZINC000109772587 1053422908 /nfs/dbraw/zinc/42/29/08/1053422908.db2.gz PZMGMKFXGXFCDI-HNNXBMFYSA-N 1 1 334.419 4.004 20 10 EICDMO CC[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(C)cc1O ZINC000794826702 1053440190 /nfs/dbraw/zinc/44/01/90/1053440190.db2.gz CXCYDADVWZBXHC-CTNGQTDRSA-N 1 1 338.495 4.263 20 10 EICDMO Cc1cccc(C[N@@H+](C)CCCc2cc(-c3ccccc3)no2)c1O ZINC000775665852 1053441406 /nfs/dbraw/zinc/44/14/06/1053441406.db2.gz LZVAOQNQMKSFSG-UHFFFAOYSA-N 1 1 336.435 4.420 20 10 EICDMO CC[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)[C@H](CC)CO1 ZINC001195862491 1053509652 /nfs/dbraw/zinc/50/96/52/1053509652.db2.gz MCNAKODYHJMAGU-WOJBJXKFSA-N 1 1 330.516 4.375 20 10 EICDMO CCC[N@@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1ccccc1O ZINC000110990434 1053623412 /nfs/dbraw/zinc/62/34/12/1053623412.db2.gz XJFXELDIGMDNFU-UHFFFAOYSA-N 1 1 346.858 4.286 20 10 EICDMO Cc1cccc(C[N@@H+](CC(C)C)C[C@H](O)c2ccc(F)cc2)c1O ZINC000775703356 1053628284 /nfs/dbraw/zinc/62/82/84/1053628284.db2.gz OXROBHRHPBYJFR-IBGZPJMESA-N 1 1 331.431 4.031 20 10 EICDMO COc1cc(O)c(C[N@H+]2CC[C@H](C)C[C@H]2c2ccc(C)o2)cc1OC ZINC000775735499 1053715498 /nfs/dbraw/zinc/71/54/98/1053715498.db2.gz QFPVAIQYKAQIFD-BBRMVZONSA-N 1 1 345.439 4.284 20 10 EICDMO C[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)c1ccc(F)cc1O ZINC000866408815 1053717104 /nfs/dbraw/zinc/71/71/04/1053717104.db2.gz FEILDDUHNWAGPD-QFYYESIMSA-N 1 1 341.785 4.098 20 10 EICDMO Cc1ccc(C[NH2+][C@H](C)c2cc(Br)c(F)cc2O)o1 ZINC000866478573 1053743027 /nfs/dbraw/zinc/74/30/27/1053743027.db2.gz JVHQMTSOTQLMEN-SECBINFHSA-N 1 1 328.181 4.046 20 10 EICDMO C[C@@H]1C[C@H]([NH2+]Cc2cc(COC(C)(C)C)on2)c2c1c(F)ccc2O ZINC000776866370 1054012995 /nfs/dbraw/zinc/01/29/95/1054012995.db2.gz FQZKFXYPYXCXSQ-ABAIWWIYSA-N 1 1 348.418 4.173 20 10 EICDMO CCO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000775834773 1054116568 /nfs/dbraw/zinc/11/65/68/1054116568.db2.gz CXKFQGAZLUAWSE-KBPBESRZSA-N 1 1 333.501 4.157 20 10 EICDMO C[C@@H]([NH2+]Cc1coc(-c2cccc(F)c2)n1)c1ccc(N(C)C)cc1 ZINC000775835718 1054118507 /nfs/dbraw/zinc/11/85/07/1054118507.db2.gz ILNVEJUYNKAOIS-CQSZACIVSA-N 1 1 339.414 4.398 20 10 EICDMO CC[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(F)cc1O ZINC000796725625 1054123407 /nfs/dbraw/zinc/12/34/07/1054123407.db2.gz XUMNGMYNHZOILV-SFHVURJKSA-N 1 1 328.431 4.155 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccc(C(F)(F)F)nc1 ZINC000872129463 1054404483 /nfs/dbraw/zinc/40/44/83/1054404483.db2.gz CBWQCKDPPBCPKP-ZJUUUORDSA-N 1 1 328.309 4.357 20 10 EICDMO Cc1csc([C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C2CC2)n1 ZINC000858145869 1054425291 /nfs/dbraw/zinc/42/52/91/1054425291.db2.gz IBPCLVKQAQPBAC-INIZCTEOSA-N 1 1 337.439 4.037 20 10 EICDMO Cc1ccc(O)c(C[N@@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)c1 ZINC000775990462 1054427842 /nfs/dbraw/zinc/42/78/42/1054427842.db2.gz RMDHRNIXDCQMAO-SFHVURJKSA-N 1 1 335.806 4.067 20 10 EICDMO Cc1ccc(O)c(C[N@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)c1 ZINC000775990462 1054427846 /nfs/dbraw/zinc/42/78/46/1054427846.db2.gz RMDHRNIXDCQMAO-SFHVURJKSA-N 1 1 335.806 4.067 20 10 EICDMO CN(Cc1c[nH+]c2n1CCC2)c1ccc(OCc2ccccc2)cc1 ZINC000825629278 1054463610 /nfs/dbraw/zinc/46/36/10/1054463610.db2.gz UYYLBRNAMACAFP-UHFFFAOYSA-N 1 1 333.435 4.045 20 10 EICDMO Oc1cccc2c1C[N@H+](C/C(Br)=C/c1ccccc1)CC2 ZINC001201463109 1054805631 /nfs/dbraw/zinc/80/56/31/1054805631.db2.gz BDJZLOZAORCYBN-WJDWOHSUSA-N 1 1 344.252 4.186 20 10 EICDMO Oc1cccc2c1C[N@@H+](C/C(Br)=C/c1ccccc1)CC2 ZINC001201463109 1054805634 /nfs/dbraw/zinc/80/56/34/1054805634.db2.gz BDJZLOZAORCYBN-WJDWOHSUSA-N 1 1 344.252 4.186 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cc3c(cc[nH]c3=O)o2)cc1 ZINC000876550858 1054930197 /nfs/dbraw/zinc/93/01/97/1054930197.db2.gz DLTXWVOXUPAUJT-UHFFFAOYSA-N 1 1 339.439 4.012 20 10 EICDMO Cc1c(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)ccnc1F ZINC000862210161 1055029217 /nfs/dbraw/zinc/02/92/17/1055029217.db2.gz BJQSSPMIFLJLKA-UHFFFAOYSA-N 1 1 327.447 4.151 20 10 EICDMO CC[N@H+](Cc1c(O)cccc1Br)[C@@H](C)c1cccnc1 ZINC000862367980 1055057226 /nfs/dbraw/zinc/05/72/26/1055057226.db2.gz ALYHOPCBNWXLDE-LBPRGKRZSA-N 1 1 335.245 4.133 20 10 EICDMO CC[N@@H+](Cc1c(O)cccc1Br)[C@@H](C)c1cccnc1 ZINC000862367980 1055057233 /nfs/dbraw/zinc/05/72/33/1055057233.db2.gz ALYHOPCBNWXLDE-LBPRGKRZSA-N 1 1 335.245 4.133 20 10 EICDMO CC(C)[N@@H+]1CCC[C@@H](CN[C@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000765784605 1055303697 /nfs/dbraw/zinc/30/36/97/1055303697.db2.gz SJEQBRPAXWJYBT-UXHICEINSA-N 1 1 343.559 4.448 20 10 EICDMO CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000765784605 1055303718 /nfs/dbraw/zinc/30/37/18/1055303718.db2.gz SJEQBRPAXWJYBT-UXHICEINSA-N 1 1 343.559 4.448 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1cncs1)c1cc(Br)c(F)cc1O ZINC000903309111 1055572673 /nfs/dbraw/zinc/57/26/73/1055572673.db2.gz CYMWBBDEVLILPM-SFYZADRCSA-N 1 1 345.237 4.162 20 10 EICDMO Cc1ccccc1[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)[C@@H](C)CO1 ZINC000742167422 1058528214 /nfs/dbraw/zinc/52/82/14/1058528214.db2.gz FVSRFMNRVBUXCS-KSFYIVLOSA-N 1 1 337.463 4.151 20 10 EICDMO Cc1ccccc1[C@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)[C@H](C)CO1 ZINC000742167990 1058530544 /nfs/dbraw/zinc/53/05/44/1058530544.db2.gz JBGAQWJYQCMHNI-OPAMFIHVSA-N 1 1 348.446 4.211 20 10 EICDMO Cc1ccc([C@H]2CCCC[N@H+]2Cc2cc3c(cc2O)OCO3)cc1 ZINC000742157618 1058540924 /nfs/dbraw/zinc/54/09/24/1058540924.db2.gz UFKNJICGJOLBKX-QGZVFWFLSA-N 1 1 325.408 4.157 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H](O)c2ccc(C)cc2)cc1 ZINC000743839322 1059149712 /nfs/dbraw/zinc/14/97/12/1059149712.db2.gz DGABHQQHPKDKEM-OAQYLSRUSA-N 1 1 326.484 4.007 20 10 EICDMO CC[N@@H+](CCc1cccs1)Cc1cc(Br)ccc1O ZINC000743870897 1059187092 /nfs/dbraw/zinc/18/70/92/1059187092.db2.gz GKAXPWDSHWOTAW-UHFFFAOYSA-N 1 1 340.286 4.281 20 10 EICDMO CN(C)c1cccc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000744397822 1059444709 /nfs/dbraw/zinc/44/47/09/1059444709.db2.gz FGTCGUVXBCWYQN-UHFFFAOYSA-N 1 1 336.435 4.254 20 10 EICDMO CCN(C)c1ccc(C[N@@H+](Cc2ccccc2)C[C@](C)(O)CC)cc1 ZINC001169394942 1060805103 /nfs/dbraw/zinc/80/51/03/1060805103.db2.gz AYVOMHPFFYVJIK-JOCHJYFZSA-N 1 1 340.511 4.306 20 10 EICDMO CC[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1O ZINC000310799477 1032522884 /nfs/dbraw/zinc/52/28/84/1032522884.db2.gz GKCCAZLLRIWOCX-CUWPLCDZSA-N 1 1 338.495 4.344 20 10 EICDMO C[C@H]([NH2+]CCCSc1nccs1)c1ccc(Cl)cc1O ZINC000841765080 1032655717 /nfs/dbraw/zinc/65/57/17/1032655717.db2.gz UXSRDKZTSAMVMQ-JTQLQIEISA-N 1 1 328.890 4.335 20 10 EICDMO Cc1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)ccc1N(C)C ZINC001167107696 1020184666 /nfs/dbraw/zinc/18/46/66/1020184666.db2.gz HEEGLDYMIUQDLU-UHFFFAOYSA-N 1 1 337.511 4.292 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C[C@H]2CCC3(CCC3)CO2)C2CC2)cc1 ZINC001167109070 1020187454 /nfs/dbraw/zinc/18/74/54/1020187454.db2.gz ZOEAOTUPRJBLTA-HXUWFJFHSA-N 1 1 328.500 4.066 20 10 EICDMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000728286332 1021728034 /nfs/dbraw/zinc/72/80/34/1021728034.db2.gz SZKFPLAQKIGITQ-GOSISDBHSA-N 1 1 348.402 4.006 20 10 EICDMO C[C@H]([NH2+]Cc1ccccc1F)c1cc(Br)c(F)cc1O ZINC000756354612 1022332892 /nfs/dbraw/zinc/33/28/92/1022332892.db2.gz GISWUYKRVBBAIU-VIFPVBQESA-N 1 1 342.183 4.284 20 10 EICDMO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)c1 ZINC000363858499 1022863943 /nfs/dbraw/zinc/86/39/43/1022863943.db2.gz DSYFEJVMYUUXIF-VLIAUNLRSA-N 1 1 339.414 4.013 20 10 EICDMO C[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1cc(Cl)c(Cl)cc1O ZINC000377118407 1023376778 /nfs/dbraw/zinc/37/67/78/1023376778.db2.gz DCDBXJKGSIKJNU-XPTSAGLGSA-N 1 1 340.254 4.161 20 10 EICDMO C[C@@H]([NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1)c1ccc(F)cc1O ZINC000756585723 1023680505 /nfs/dbraw/zinc/68/05/05/1023680505.db2.gz MFXIYTSWGGAVQL-BFUOFWGJSA-N 1 1 331.431 4.213 20 10 EICDMO Cc1ccc(O)c(C[NH2+][C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1 ZINC000276796691 1024285354 /nfs/dbraw/zinc/28/53/54/1024285354.db2.gz URDZIWCEBWYRFV-CYBMUJFWSA-N 1 1 341.386 4.049 20 10 EICDMO C[C@H]([NH2+][C@@H]1COc2c1cccc2Cl)c1cc(F)cc(F)c1O ZINC000756759798 1024428783 /nfs/dbraw/zinc/42/87/83/1024428783.db2.gz ZFIVCLYJUKJXPI-RMLUDKJBSA-N 1 1 325.742 4.108 20 10 EICDMO CC[C@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)c1ccc(OC)cc1 ZINC000181820935 1024796891 /nfs/dbraw/zinc/79/68/91/1024796891.db2.gz YAKXUVWBZBQDEG-SFHVURJKSA-N 1 1 347.842 4.498 20 10 EICDMO COC1CCN(c2ccc(C[N@@H+](Cc3ccoc3)C3CC3)cc2)CC1 ZINC000934003137 1024939566 /nfs/dbraw/zinc/93/95/66/1024939566.db2.gz CTCXHHKBGQZENO-UHFFFAOYSA-N 1 1 340.467 4.059 20 10 EICDMO CCN(C)c1ccc(C[N@@H+](CC)C[C@H](O)c2ccc(C)cc2)cc1 ZINC001167518047 1025900843 /nfs/dbraw/zinc/90/08/43/1025900843.db2.gz SVOJSINDDQOWPA-NRFANRHFSA-N 1 1 326.484 4.007 20 10 EICDMO CCC[N@@H+](CCC(=O)Nc1ccc(C)c(F)c1)Cc1ccccc1O ZINC001167521724 1025905139 /nfs/dbraw/zinc/90/51/39/1025905139.db2.gz HFAZSHKNJPUYIZ-UHFFFAOYSA-N 1 1 344.430 4.081 20 10 EICDMO Cc1cccc2c1CC[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C2 ZINC000729467065 1026347523 /nfs/dbraw/zinc/34/75/23/1026347523.db2.gz JQFXHNZTNLJCKX-UHFFFAOYSA-N 1 1 325.452 4.262 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2c2cccc(C)c2)cc1OC ZINC000159914641 1027017644 /nfs/dbraw/zinc/01/76/44/1027017644.db2.gz IHDNJPUBNQYLTQ-QGZVFWFLSA-N 1 1 327.424 4.055 20 10 EICDMO C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000278733248 1029746066 /nfs/dbraw/zinc/74/60/66/1029746066.db2.gz MYRAFNJPOKVIJY-QWRGUYRKSA-N 1 1 330.255 4.451 20 10 EICDMO CC[C@H]([NH2+]CCCCC(=O)OC(C)(C)C)c1ccc(F)cc1O ZINC000796852683 1031240491 /nfs/dbraw/zinc/24/04/91/1031240491.db2.gz BIPPIBLXCSZICA-HNNXBMFYSA-N 1 1 325.424 4.084 20 10 EICDMO COc1cccc(C[N@@H+](C)[C@H](c2ccccc2)c2ccccn2)c1O ZINC000130960887 1031853860 /nfs/dbraw/zinc/85/38/60/1031853860.db2.gz XMHJWDAYMAHDDR-HXUWFJFHSA-N 1 1 334.419 4.017 20 10 EICDMO COc1cc(Cl)cc(C[N@@H+]2CCOc3ccccc3[C@@H]2C)c1O ZINC000761191748 1036009560 /nfs/dbraw/zinc/00/95/60/1036009560.db2.gz AJBONJSLBSBODY-LBPRGKRZSA-N 1 1 333.815 4.010 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CCOc3ccccc3[C@@H]2C)c1O ZINC000761191748 1036009579 /nfs/dbraw/zinc/00/95/79/1036009579.db2.gz AJBONJSLBSBODY-LBPRGKRZSA-N 1 1 333.815 4.010 20 10 EICDMO C[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1ccc(N2CCCCC2)cc1 ZINC000157007242 1036794460 /nfs/dbraw/zinc/79/44/60/1036794460.db2.gz DOZZFIKHNIGYCQ-OAHLLOKOSA-N 1 1 344.528 4.050 20 10 EICDMO Cc1ccc(O)c(C[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000273377363 1037440881 /nfs/dbraw/zinc/44/08/81/1037440881.db2.gz GDTOXGNSNBJNCH-AZUAARDMSA-N 1 1 329.415 4.192 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000128524427 1039145581 /nfs/dbraw/zinc/14/55/81/1039145581.db2.gz OLFFKGKBFQRUIQ-KRWDZBQOSA-N 1 1 335.451 4.273 20 10 EICDMO CCC[C@H]1CCC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC001167961126 1041466712 /nfs/dbraw/zinc/46/67/12/1041466712.db2.gz ZMJYJVZRHQFQJZ-SFHVURJKSA-N 1 1 330.516 4.314 20 10 EICDMO Oc1ccc2ccccc2c1C[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000727423370 1043218717 /nfs/dbraw/zinc/21/87/17/1043218717.db2.gz FZRYQBHESOKSOP-OAQYLSRUSA-N 1 1 337.394 4.258 20 10 EICDMO CC[C@@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C[C@H](C)O1 ZINC000732186114 1043883144 /nfs/dbraw/zinc/88/31/44/1043883144.db2.gz XUOGHSOECXXCHW-DZGCQCFKSA-N 1 1 325.408 4.291 20 10 EICDMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2cc(C)cc(OC)c2O)cc1 ZINC000732526434 1043947222 /nfs/dbraw/zinc/94/72/22/1043947222.db2.gz DLQVBLKLKOXVPK-LJQANCHMSA-N 1 1 341.451 4.445 20 10 EICDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000766114280 1044208402 /nfs/dbraw/zinc/20/84/02/1044208402.db2.gz CDFAMVQVIYYAMA-LLVKDONJSA-N 1 1 331.378 4.170 20 10 EICDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@@H](CC(F)(F)F)C3)c2c1 ZINC000766118828 1044220888 /nfs/dbraw/zinc/22/08/88/1044220888.db2.gz OMFCCILLWDJSCX-LBPRGKRZSA-N 1 1 339.357 4.328 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCCC[C@H]2c2ccccc2)cc1OC ZINC000762469612 1045249548 /nfs/dbraw/zinc/24/95/48/1045249548.db2.gz YWPKESJBRSQWSG-KRWDZBQOSA-N 1 1 327.424 4.137 20 10 EICDMO Cc1cc(F)ccc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000768163461 1045730641 /nfs/dbraw/zinc/73/06/41/1045730641.db2.gz YZZNFZMWHHVZFI-IBGZPJMESA-N 1 1 329.415 4.021 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1cnc2ccccc2c1)C[C@H]1CCCO1 ZINC000768163443 1045732060 /nfs/dbraw/zinc/73/20/60/1045732060.db2.gz YXTSTXLPAMESJQ-HXUWFJFHSA-N 1 1 348.446 4.122 20 10 EICDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2c(O)cccc2Cl)cc1OC ZINC000768227755 1045756102 /nfs/dbraw/zinc/75/61/02/1045756102.db2.gz HXACNCDYSCTNJZ-INIZCTEOSA-N 1 1 347.842 4.400 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000768248942 1045762792 /nfs/dbraw/zinc/76/27/92/1045762792.db2.gz LCEQFSOSTKLSQH-GOSISDBHSA-N 1 1 329.465 4.081 20 10 EICDMO CCOc1ccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)c(O)c1 ZINC000768258205 1045768071 /nfs/dbraw/zinc/76/80/71/1045768071.db2.gz UJOALCGBVMLLAX-UHFFFAOYSA-N 1 1 340.467 4.022 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2nccc3ccccc32)C2CC2)cc1 ZINC000768257594 1045769134 /nfs/dbraw/zinc/76/91/34/1045769134.db2.gz NKORRYHNWVZRQO-UHFFFAOYSA-N 1 1 331.463 4.465 20 10 EICDMO CC(C)[N@@H+](Cc1c[nH]nc1C(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC000768352657 1045794716 /nfs/dbraw/zinc/79/47/16/1045794716.db2.gz QTTRWSSZIDMGEJ-UHFFFAOYSA-N 1 1 328.504 4.184 20 10 EICDMO COc1cc(O)c(C[N@@H+]([C@H](C)c2ccccc2)C2CC2)cc1OC ZINC000768440000 1045807180 /nfs/dbraw/zinc/80/71/80/1045807180.db2.gz MYJNTLVMKKVZNH-CQSZACIVSA-N 1 1 327.424 4.135 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCC[C@H](c3ccccc3)CC2)cc1OC ZINC000768453579 1045808986 /nfs/dbraw/zinc/80/89/86/1045808986.db2.gz ZAQAGQAOHYBLLI-KRWDZBQOSA-N 1 1 341.451 4.179 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000792156657 1045867594 /nfs/dbraw/zinc/86/75/94/1045867594.db2.gz JVWVMXYBAWONPZ-LJQANCHMSA-N 1 1 349.833 4.130 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)CCCc2cc(-c3ccccc3)no2)cc1 ZINC000769191524 1045885511 /nfs/dbraw/zinc/88/55/11/1045885511.db2.gz CZTVQIOXXIDWKR-UHFFFAOYSA-N 1 1 349.478 4.472 20 10 EICDMO COc1cccc(O)c1C[N@@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000769209447 1045893144 /nfs/dbraw/zinc/89/31/44/1045893144.db2.gz BZUXYQURAIZWID-UTKZUKDTSA-N 1 1 341.451 4.001 20 10 EICDMO COc1cccc(O)c1C[N@@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000769209444 1045893677 /nfs/dbraw/zinc/89/36/77/1045893677.db2.gz BZUXYQURAIZWID-DYESRHJHSA-N 1 1 341.451 4.001 20 10 EICDMO Cc1ccc(O)c(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1 ZINC000769385369 1045944880 /nfs/dbraw/zinc/94/48/80/1045944880.db2.gz WFWKOCNGTBNNQZ-NQIIRXRSSA-N 1 1 338.495 4.186 20 10 EICDMO Cc1cccn2c(C[N@@H+](Cc3ccccc3O)C3CCCC3)cnc12 ZINC000769385250 1045946478 /nfs/dbraw/zinc/94/64/78/1045946478.db2.gz UPJRTPYDBBHVLF-UHFFFAOYSA-N 1 1 335.451 4.293 20 10 EICDMO COc1ccc2ccc(O)c(C[N@H+]3CCc4ccsc4C3)c2c1 ZINC000760283211 1045952433 /nfs/dbraw/zinc/95/24/33/1045952433.db2.gz BQMBJZCPEXXXEE-UHFFFAOYSA-N 1 1 325.433 4.174 20 10 EICDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000769532346 1046010738 /nfs/dbraw/zinc/01/07/38/1046010738.db2.gz JGCFFQSSUVKTLD-HNNXBMFYSA-N 1 1 342.508 4.416 20 10 EICDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cc(Br)ccc2O)C1 ZINC000769550414 1046019927 /nfs/dbraw/zinc/01/99/27/1046019927.db2.gz RWFSFEUWNFVOTN-UONOGXRCSA-N 1 1 344.318 4.261 20 10 EICDMO COc1ccc([C@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)c(OC)c1 ZINC000529650794 1046020050 /nfs/dbraw/zinc/02/00/50/1046020050.db2.gz FPTHGTJROIGMIF-JTQLQIEISA-N 1 1 339.794 4.053 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000769560555 1046021706 /nfs/dbraw/zinc/02/17/06/1046021706.db2.gz WAQAYVATGXLKBS-CYBMUJFWSA-N 1 1 333.378 4.059 20 10 EICDMO CCC[N@H+](Cc1ccccc1O)[C@H](C)c1noc(-c2ccccc2)n1 ZINC000792868794 1046080487 /nfs/dbraw/zinc/08/04/87/1046080487.db2.gz WUJHBQAOAJPKQQ-OAHLLOKOSA-N 1 1 337.423 4.415 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)c1noc(-c2ccccc2)n1 ZINC000792868794 1046080505 /nfs/dbraw/zinc/08/05/05/1046080505.db2.gz WUJHBQAOAJPKQQ-OAHLLOKOSA-N 1 1 337.423 4.415 20 10 EICDMO Cc1csc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)n1 ZINC000792957051 1046117172 /nfs/dbraw/zinc/11/71/72/1046117172.db2.gz OJKMWUSUWZZUII-LLVKDONJSA-N 1 1 343.418 4.387 20 10 EICDMO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1nccs1 ZINC000792992224 1046121070 /nfs/dbraw/zinc/12/10/70/1046121070.db2.gz NLMBEBUXSBFNKB-AWEZNQCLSA-N 1 1 343.418 4.469 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1C(C)C ZINC000772828686 1046163328 /nfs/dbraw/zinc/16/33/28/1046163328.db2.gz PFAGSLWRNNNNGB-UWJYYQICSA-N 1 1 342.527 4.273 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1C(C)C ZINC000772828686 1046163335 /nfs/dbraw/zinc/16/33/35/1046163335.db2.gz PFAGSLWRNNNNGB-UWJYYQICSA-N 1 1 342.527 4.273 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1F ZINC000770293930 1046174063 /nfs/dbraw/zinc/17/40/63/1046174063.db2.gz ZTJNSLLOBPSKEQ-CRAIPNDOSA-N 1 1 348.487 4.041 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1C ZINC000770324513 1046180919 /nfs/dbraw/zinc/18/09/19/1046180919.db2.gz GYJUEJWTWSVDRU-FPOVZHCZSA-N 1 1 343.442 4.236 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000770327487 1046181106 /nfs/dbraw/zinc/18/11/06/1046181106.db2.gz QYTJWMRCWKLUKO-WOJBJXKFSA-N 1 1 342.483 4.214 20 10 EICDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1O ZINC000793613263 1046312003 /nfs/dbraw/zinc/31/20/03/1046312003.db2.gz LSOOLVIPIGRXHV-OCCSQVGLSA-N 1 1 334.674 4.370 20 10 EICDMO CC[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC[C@H]1c1ccccc1 ZINC000746383161 1046335821 /nfs/dbraw/zinc/33/58/21/1046335821.db2.gz QTXWBSQDYHKFSZ-MAUKXSAKSA-N 1 1 339.435 4.137 20 10 EICDMO CC(C)[N@@H+](Cc1cc(-c2ccco2)on1)Cc1ccc(N(C)C)cc1 ZINC000917075010 1046637519 /nfs/dbraw/zinc/63/75/19/1046637519.db2.gz OHHRQPAUWRNFRX-UHFFFAOYSA-N 1 1 339.439 4.411 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2cccc3cccnc32)C2CC2)cc1 ZINC000917418126 1046868302 /nfs/dbraw/zinc/86/83/02/1046868302.db2.gz WTRQZUOWZSMALD-UHFFFAOYSA-N 1 1 331.463 4.465 20 10 EICDMO CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132367 1047128973 /nfs/dbraw/zinc/12/89/73/1047128973.db2.gz VOAWEJVQGPMBKV-OAHLLOKOSA-N 1 1 342.270 4.335 20 10 EICDMO CC[C@@H]([NH2+][C@H](CN(C)C)c1ccc(F)cc1)c1ccc(F)cc1O ZINC000806173709 1047158977 /nfs/dbraw/zinc/15/89/77/1047158977.db2.gz ZTYKURIYXXTSBV-QZTJIDSGSA-N 1 1 334.410 4.014 20 10 EICDMO CO[C@@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)c1ccccc1 ZINC000788561176 1047225174 /nfs/dbraw/zinc/22/51/74/1047225174.db2.gz FYGXBXIAOWTAFS-WBMJQRKESA-N 1 1 339.357 4.449 20 10 EICDMO C[C@H]([NH2+]CCC[C@@H]1CCCCO1)c1cccc(C(F)(F)F)c1O ZINC000788752910 1047287536 /nfs/dbraw/zinc/28/75/36/1047287536.db2.gz XPWHPVXDQBTUHZ-STQMWFEESA-N 1 1 331.378 4.411 20 10 EICDMO C[C@H]([NH2+][C@H]1CCCC12CCOCC2)c1cccc(C(F)(F)F)c1O ZINC000788824808 1047320068 /nfs/dbraw/zinc/32/00/68/1047320068.db2.gz WJLURZGMUHUUEW-WFASDCNBSA-N 1 1 343.389 4.411 20 10 EICDMO Oc1ccc2oc3c(c2c1C[N@H+]1CC[C@@]2(C1)CCCOC2)CCCC3 ZINC000789564502 1047441759 /nfs/dbraw/zinc/44/17/59/1047441759.db2.gz HAZUQBSNBSIASG-OAQYLSRUSA-N 1 1 341.451 4.020 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000789769231 1047470026 /nfs/dbraw/zinc/47/00/26/1047470026.db2.gz NVCCHGLGRLKZFT-OAQYLSRUSA-N 1 1 346.430 4.108 20 10 EICDMO CO[C@@H]1CC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)[C@H](C)C1 ZINC000824339386 1047858212 /nfs/dbraw/zinc/85/82/12/1047858212.db2.gz UQJNUDMRKXSJOC-VQIMIIECSA-N 1 1 344.524 4.384 20 10 EICDMO CC(C)[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H](C)c1ccccc1 ZINC000814169811 1047871216 /nfs/dbraw/zinc/87/12/16/1047871216.db2.gz MWFHDGNPWBOZHK-IBGZPJMESA-N 1 1 338.495 4.495 20 10 EICDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(Br)cc1O ZINC000824775844 1047933189 /nfs/dbraw/zinc/93/31/89/1047933189.db2.gz CCWRWQYIMXMCJS-NSHDSACASA-N 1 1 336.229 4.053 20 10 EICDMO CCCN(CCC)c1ccc(C[NH2+][C@H](C)c2nccn2CC)cc1 ZINC000825005862 1048009724 /nfs/dbraw/zinc/00/97/24/1048009724.db2.gz UFXUNYHESARLKY-QGZVFWFLSA-N 1 1 328.504 4.380 20 10 EICDMO COc1cc(Cl)cc(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)c1O ZINC000825103447 1048026968 /nfs/dbraw/zinc/02/69/68/1048026968.db2.gz FPLRLJWVKDFURB-KRWDZBQOSA-N 1 1 333.815 4.374 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)c1O ZINC000825103447 1048026981 /nfs/dbraw/zinc/02/69/81/1048026981.db2.gz FPLRLJWVKDFURB-KRWDZBQOSA-N 1 1 333.815 4.374 20 10 EICDMO CN1CCC[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)c2ccccc21 ZINC000825117420 1048040397 /nfs/dbraw/zinc/04/03/97/1048040397.db2.gz CVLKEBIVTGJEPC-HNNXBMFYSA-N 1 1 334.822 4.246 20 10 EICDMO CCOc1c(F)cc(C[N@@H+]2CCc3cccc(O)c3C2)cc1Cl ZINC001143745021 1048182006 /nfs/dbraw/zinc/18/20/06/1048182006.db2.gz IKEKJQDKCYYVQM-UHFFFAOYSA-N 1 1 335.806 4.142 20 10 EICDMO CCOc1c(F)cc(C[N@H+]2CCc3cccc(O)c3C2)cc1Cl ZINC001143745021 1048182014 /nfs/dbraw/zinc/18/20/14/1048182014.db2.gz IKEKJQDKCYYVQM-UHFFFAOYSA-N 1 1 335.806 4.142 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1ccc2occc2c1)C[C@H]1CCCO1 ZINC000809538869 1048398374 /nfs/dbraw/zinc/39/83/74/1048398374.db2.gz UNBJDHBEDIRYNU-LJQANCHMSA-N 1 1 337.419 4.320 20 10 EICDMO CN(C)c1ccc(C[N@H+](Cc2ccco2)C[C@@H]2CCSC2)cc1 ZINC000809731727 1048484888 /nfs/dbraw/zinc/48/48/88/1048484888.db2.gz OTENVEFQJHOSPT-KRWDZBQOSA-N 1 1 330.497 4.101 20 10 EICDMO Cc1ccn2cc(C[NH2+][C@H](C)c3cccc(C(F)(F)F)c3O)nc2c1 ZINC000815576689 1048518275 /nfs/dbraw/zinc/51/82/75/1048518275.db2.gz WKUUISIDLJQHQD-GFCCVEGCSA-N 1 1 349.356 4.218 20 10 EICDMO CCC1(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CCOCC1 ZINC000815585376 1048523689 /nfs/dbraw/zinc/52/36/89/1048523689.db2.gz FTBHLWGYRQOOCC-LBPRGKRZSA-N 1 1 331.378 4.268 20 10 EICDMO CC[N@H+](Cc1cccc(Br)c1O)[C@@H](C)c1cccnc1 ZINC000809764739 1048523685 /nfs/dbraw/zinc/52/36/85/1048523685.db2.gz HLWLVTOQANOJMO-LBPRGKRZSA-N 1 1 335.245 4.133 20 10 EICDMO CC[N@@H+](Cc1cccc(Br)c1O)[C@@H](C)c1cccnc1 ZINC000809764739 1048523690 /nfs/dbraw/zinc/52/36/90/1048523690.db2.gz HLWLVTOQANOJMO-LBPRGKRZSA-N 1 1 335.245 4.133 20 10 EICDMO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1cccc(C(F)(F)F)c1O ZINC000815583619 1048524071 /nfs/dbraw/zinc/52/40/71/1048524071.db2.gz KJNDNNIGDYGCIE-GDJRKYJOSA-N 1 1 343.389 4.265 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@@H+](C)C2CCC(F)(F)CC2)c1 ZINC000809782138 1048529958 /nfs/dbraw/zinc/52/99/58/1048529958.db2.gz IWHPTNOGQKEZEQ-UHFFFAOYSA-N 1 1 348.231 4.473 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+](C)C2CCC(F)(F)CC2)c1 ZINC000809782138 1048529967 /nfs/dbraw/zinc/52/99/67/1048529967.db2.gz IWHPTNOGQKEZEQ-UHFFFAOYSA-N 1 1 348.231 4.473 20 10 EICDMO C[C@H]([NH2+]Cc1ccc2c(c1)COC2)c1cccc(C(F)(F)F)c1O ZINC000815596736 1048530715 /nfs/dbraw/zinc/53/07/15/1048530715.db2.gz CPPWYKZUHHYDMH-NSHDSACASA-N 1 1 337.341 4.292 20 10 EICDMO Cc1ncc(CC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)s1 ZINC000815596773 1048530776 /nfs/dbraw/zinc/53/07/76/1048530776.db2.gz DKNSYSICDYKCSP-SECBINFHSA-N 1 1 330.375 4.069 20 10 EICDMO CCOc1ccc(C[N@@H+](C)[C@@H](CC)c2ccccc2OC)c(O)c1 ZINC000809781324 1048531041 /nfs/dbraw/zinc/53/10/41/1048531041.db2.gz QHDVJNGAJLMHNJ-SFHVURJKSA-N 1 1 329.440 4.383 20 10 EICDMO C[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1cccc(C(F)(F)F)c1O ZINC000815614274 1048539600 /nfs/dbraw/zinc/53/96/00/1048539600.db2.gz KYSZOLKWBMZLHL-GXFFZTMASA-N 1 1 331.378 4.408 20 10 EICDMO Oc1ccc(Br)cc1CNc1[nH+]ccc2cc(F)ccc21 ZINC001171174406 1048640041 /nfs/dbraw/zinc/64/00/41/1048640041.db2.gz SHCIZZMXBBDQAQ-UHFFFAOYSA-N 1 1 347.187 4.454 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)c1O ZINC000748051413 1048724525 /nfs/dbraw/zinc/72/45/25/1048724525.db2.gz UZBJOHPYUPTGDZ-JTQLQIEISA-N 1 1 337.341 4.205 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)c1O ZINC000748051413 1048724540 /nfs/dbraw/zinc/72/45/40/1048724540.db2.gz UZBJOHPYUPTGDZ-JTQLQIEISA-N 1 1 337.341 4.205 20 10 EICDMO CCN(CC)c1ccc(C[NH2+][C@H](c2ccccc2F)[C@@H](C)O)cc1F ZINC000846016928 1048783473 /nfs/dbraw/zinc/78/34/73/1048783473.db2.gz KMVMZJUJQBUYDP-VLIAUNLRSA-N 1 1 348.437 4.023 20 10 EICDMO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816481713 1048812610 /nfs/dbraw/zinc/81/26/10/1048812610.db2.gz GNYFVGWJURJIGJ-UHFFFAOYSA-N 1 1 348.446 4.233 20 10 EICDMO Cn1c2ccccc2nc1C[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816510329 1048823602 /nfs/dbraw/zinc/82/36/02/1048823602.db2.gz SDYDTXNDINRJHY-UHFFFAOYSA-N 1 1 331.419 4.064 20 10 EICDMO Cn1c2ccccc2nc1C[N@@H+](C)Cc1ccc2ccccc2c1O ZINC000816510329 1048823604 /nfs/dbraw/zinc/82/36/04/1048823604.db2.gz SDYDTXNDINRJHY-UHFFFAOYSA-N 1 1 331.419 4.064 20 10 EICDMO CC1CC[NH+](CCCC[NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816535377 1048825328 /nfs/dbraw/zinc/82/53/28/1048825328.db2.gz NEWRUJOWIMMFBT-UHFFFAOYSA-N 1 1 326.484 4.147 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000816538801 1048826557 /nfs/dbraw/zinc/82/65/57/1048826557.db2.gz HQNWLUKOHVILKZ-LIRRHRJNSA-N 1 1 349.833 4.442 20 10 EICDMO Cc1cnc(C2CC[NH+](Cc3cc(Cl)c(F)cc3O)CC2)s1 ZINC000816592248 1048832110 /nfs/dbraw/zinc/83/21/10/1048832110.db2.gz DEQZVRIXBLNDRJ-UHFFFAOYSA-N 1 1 340.851 4.329 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000816556814 1048833863 /nfs/dbraw/zinc/83/38/63/1048833863.db2.gz UVRPDWRLGSFDBB-CYBMUJFWSA-N 1 1 327.827 4.156 20 10 EICDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816556876 1048834477 /nfs/dbraw/zinc/83/44/77/1048834477.db2.gz XAGOGGJJJKSFLW-UHFFFAOYSA-N 1 1 345.157 4.036 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000816560667 1048835067 /nfs/dbraw/zinc/83/50/67/1048835067.db2.gz WWTRRULYWAWHGS-UGSOOPFHSA-N 1 1 335.806 4.052 20 10 EICDMO [O-]c1c(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)ccc2ccccc21 ZINC000816561657 1048836176 /nfs/dbraw/zinc/83/61/76/1048836176.db2.gz GSDTYLYBEMKBKK-UHFFFAOYSA-N 1 1 346.474 4.431 20 10 EICDMO C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1ccc(Cl)cc1O ZINC000846204455 1048840920 /nfs/dbraw/zinc/84/09/20/1048840920.db2.gz TVJBHSAXSNZIRS-DWQUBVKVSA-N 1 1 332.831 4.012 20 10 EICDMO COCCC[N@@H+](C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000921192916 1048873651 /nfs/dbraw/zinc/87/36/51/1048873651.db2.gz FSHLCOBQMQQTDI-UHFFFAOYSA-N 1 1 340.427 4.009 20 10 EICDMO C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CCC1(F)F ZINC000811511510 1049122677 /nfs/dbraw/zinc/12/26/77/1049122677.db2.gz KTCQBWICYKPUBA-HNNXBMFYSA-N 1 1 347.405 4.448 20 10 EICDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCC1(F)F ZINC000811513491 1049125831 /nfs/dbraw/zinc/12/58/31/1049125831.db2.gz ZVXYONJAFVIBHQ-LLVKDONJSA-N 1 1 336.348 4.249 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1C(C)C ZINC000811789498 1049277336 /nfs/dbraw/zinc/27/73/36/1049277336.db2.gz CYAKVMXVWKNQTB-VQTJNVASSA-N 1 1 329.484 4.358 20 10 EICDMO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1ccc(F)cc1O ZINC000812735676 1049554257 /nfs/dbraw/zinc/55/42/57/1049554257.db2.gz FENXGMRFENBIME-KSSFIOAISA-N 1 1 346.421 4.238 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2cncc(C(F)(F)F)c2)C2CC2)cc1 ZINC000812823589 1049584377 /nfs/dbraw/zinc/58/43/77/1049584377.db2.gz FWBMFBXADGAKOD-UHFFFAOYSA-N 1 1 349.400 4.331 20 10 EICDMO Oc1cc2c(cc1C[N@@H+]1CC=C(c3ccc(Cl)nc3)CC1)CCC2 ZINC000773251599 1049672094 /nfs/dbraw/zinc/67/20/94/1049672094.db2.gz JPNPNUSVCZJUIN-UHFFFAOYSA-N 1 1 340.854 4.219 20 10 EICDMO Oc1ccc2ccccc2c1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000773255405 1049674564 /nfs/dbraw/zinc/67/45/64/1049674564.db2.gz AKVBBGATRAVCNN-IAGOWNOFSA-N 1 1 325.452 4.184 20 10 EICDMO COc1ccc(O)c([C@H](C)NC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)c1 ZINC000813331418 1049753455 /nfs/dbraw/zinc/75/34/55/1049753455.db2.gz ONUFDYVGTLVIEY-SOLBZPMBSA-N 1 1 346.515 4.095 20 10 EICDMO Oc1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)cc1F ZINC000813334240 1049754579 /nfs/dbraw/zinc/75/45/79/1049754579.db2.gz AVFNNTUEKSDEGP-UHFFFAOYSA-N 1 1 327.355 4.032 20 10 EICDMO C[N@@H+](Cc1cc2cccnc2o1)Cc1ccc(N2CCCCC2)cc1 ZINC000823372161 1049841532 /nfs/dbraw/zinc/84/15/32/1049841532.db2.gz ZEHXOPWQPOYDIS-UHFFFAOYSA-N 1 1 335.451 4.450 20 10 EICDMO CN(c1ccc(C[NH2+]Cc2cc(F)ncc2F)cc1)C1CCCCC1 ZINC000823736395 1049871538 /nfs/dbraw/zinc/87/15/38/1049871538.db2.gz ACMPOMIIFPCYOA-UHFFFAOYSA-N 1 1 345.437 4.419 20 10 EICDMO Cc1nc([C@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)c(C)s1 ZINC000772875297 1049875191 /nfs/dbraw/zinc/87/51/91/1049875191.db2.gz SVTRBWMSWICPJN-ZDUSSCGKSA-N 1 1 347.553 4.164 20 10 EICDMO Cc1c2ccccc2n(C)c1C[NH2+]CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 ZINC001177492032 1050230352 /nfs/dbraw/zinc/23/03/52/1050230352.db2.gz MAMZMNIKGWRAOR-IAGOWNOFSA-N 1 1 341.543 4.333 20 10 EICDMO C[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(Br)ccc1O ZINC001203635822 1050288412 /nfs/dbraw/zinc/28/84/12/1050288412.db2.gz HHLHOMCVIIIQAX-LBPRGKRZSA-N 1 1 332.241 4.274 20 10 EICDMO Oc1cc(Cl)ccc1C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC001204205317 1050309555 /nfs/dbraw/zinc/30/95/55/1050309555.db2.gz RGEILJXNEHVOGX-INIZCTEOSA-N 1 1 331.843 4.084 20 10 EICDMO Cc1[nH]c2ccc(-n3c(=N)ccc(N=Nc4ccccc4)c3N)cc2[nH+]1 ZINC001213071580 1050328162 /nfs/dbraw/zinc/32/81/62/1050328162.db2.gz YSPQYSDHPCLEMP-RPIFJFPMSA-N 1 1 343.394 4.139 20 10 EICDMO Cc1cc(CNc2ccc3c(c2)[nH+]cn3C)c(Br)cc1F ZINC001178037447 1050373043 /nfs/dbraw/zinc/37/30/43/1050373043.db2.gz KNESFVJFWRXINS-UHFFFAOYSA-N 1 1 348.219 4.395 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000773753368 1050509432 /nfs/dbraw/zinc/50/94/32/1050509432.db2.gz HSVPKESLZQCUFR-RTBURBONSA-N 1 1 344.524 4.292 20 10 EICDMO FC(F)(F)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000775137860 1050595028 /nfs/dbraw/zinc/59/50/28/1050595028.db2.gz QXPOKAWFRAHMPS-INIZCTEOSA-N 1 1 326.406 4.451 20 10 EICDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)c1O ZINC001179878252 1050814734 /nfs/dbraw/zinc/81/47/34/1050814734.db2.gz NQAMFEXPNHZZAE-VQIMIIECSA-N 1 1 325.452 4.335 20 10 EICDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)c(F)cc2[O-])C1(CC)CC ZINC001179950744 1050828576 /nfs/dbraw/zinc/82/85/76/1050828576.db2.gz HFFWAKJYCLSIGH-DLBZAZTESA-N 1 1 327.415 4.086 20 10 EICDMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)c(F)cc2O)C1(CC)CC ZINC001179950744 1050828578 /nfs/dbraw/zinc/82/85/78/1050828578.db2.gz HFFWAKJYCLSIGH-DLBZAZTESA-N 1 1 327.415 4.086 20 10 EICDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)c(F)cc2O)C1(CC)CC ZINC001179950744 1050828586 /nfs/dbraw/zinc/82/85/86/1050828586.db2.gz HFFWAKJYCLSIGH-DLBZAZTESA-N 1 1 327.415 4.086 20 10 EICDMO C[C@H](C[N@@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O)c1nccs1 ZINC000182840370 1050846958 /nfs/dbraw/zinc/84/69/58/1050846958.db2.gz WWNQPLSHJPSJGO-GFCCVEGCSA-N 1 1 334.485 4.087 20 10 EICDMO Cc1ccc(C[NH+]2CC(OCc3cccc4ccccc43)C2)c(O)c1 ZINC001179962964 1050851102 /nfs/dbraw/zinc/85/11/02/1050851102.db2.gz VJDHKVCTRNFWKD-UHFFFAOYSA-N 1 1 333.431 4.255 20 10 EICDMO C[C@H]([NH2+]Cc1ccsc1Br)c1ccc(F)cc1O ZINC000388547736 1050859542 /nfs/dbraw/zinc/85/95/42/1050859542.db2.gz JJWDMXPOWWPJFF-QMMMGPOBSA-N 1 1 330.222 4.206 20 10 EICDMO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)c(Cl)c1 ZINC001180077235 1050875297 /nfs/dbraw/zinc/87/52/97/1050875297.db2.gz OCNPRRCWLXYCCY-SJKOYZFVSA-N 1 1 337.872 4.378 20 10 EICDMO CCC[N@@H+](CCc1cccc(F)c1)Cc1c(C)cc(OC)cc1O ZINC001180133233 1050880770 /nfs/dbraw/zinc/88/07/70/1050880770.db2.gz SFIYCJFWIJBSAK-UHFFFAOYSA-N 1 1 331.431 4.303 20 10 EICDMO C[N@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCCN(c2ccccc2)C1 ZINC001180203750 1050913127 /nfs/dbraw/zinc/91/31/27/1050913127.db2.gz ZCOARDWACHJZES-INIZCTEOSA-N 1 1 348.849 4.286 20 10 EICDMO C[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCCN(c2ccccc2)C1 ZINC001180203750 1050913138 /nfs/dbraw/zinc/91/31/38/1050913138.db2.gz ZCOARDWACHJZES-INIZCTEOSA-N 1 1 348.849 4.286 20 10 EICDMO Oc1c(C[N@H+]2CCc3c(F)cc(F)cc3C2)ccc2ccccc21 ZINC001180219739 1050919798 /nfs/dbraw/zinc/91/97/98/1050919798.db2.gz USUCYAPJGSSXME-UHFFFAOYSA-N 1 1 325.358 4.382 20 10 EICDMO C[C@H]([NH2+]Cc1ccc(Cl)cc1[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001180348890 1050961640 /nfs/dbraw/zinc/96/16/40/1050961640.db2.gz FJGHHOBGFROLPT-YJBOKZPZSA-N 1 1 344.886 4.046 20 10 EICDMO CN(C)c1ccc(/C=C\C[N@@H+](C)Cc2ccc(Br)o2)cc1 ZINC001180393267 1050980010 /nfs/dbraw/zinc/98/00/10/1050980010.db2.gz MXOIDWATUCQMMR-PLNGDYQASA-N 1 1 349.272 4.253 20 10 EICDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC001180557833 1051035248 /nfs/dbraw/zinc/03/52/48/1051035248.db2.gz HIRCLMFZFSBHQQ-LBPRGKRZSA-N 1 1 344.361 4.191 20 10 EICDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC001180557833 1051035256 /nfs/dbraw/zinc/03/52/56/1051035256.db2.gz HIRCLMFZFSBHQQ-LBPRGKRZSA-N 1 1 344.361 4.191 20 10 EICDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCC[C@@H]2C(C)(C)O)cc1 ZINC001180697569 1051064845 /nfs/dbraw/zinc/06/48/45/1051064845.db2.gz IIIDFMNNEKMLAK-LJQANCHMSA-N 1 1 344.524 4.120 20 10 EICDMO COc1cc(C[N@@H+](Cc2cc(C(C)C)ccc2O)C2CC2)ccc1O ZINC001181085818 1051143720 /nfs/dbraw/zinc/14/37/20/1051143720.db2.gz GFXKLWDZHMDYLR-UHFFFAOYSA-N 1 1 341.451 4.394 20 10 EICDMO CCCC[N@@H+](Cc1ccc(N(C)C(C)C)nc1)Cc1ccccc1O ZINC001181185410 1051172987 /nfs/dbraw/zinc/17/29/87/1051172987.db2.gz RECPIDXRCMBLOS-UHFFFAOYSA-N 1 1 341.499 4.434 20 10 EICDMO Oc1c(F)cccc1C[NH2+]CCOc1ccc(Cl)c(Cl)c1 ZINC001182072123 1051390386 /nfs/dbraw/zinc/39/03/86/1051390386.db2.gz LEIRHXNTMCMRKK-UHFFFAOYSA-N 1 1 330.186 4.007 20 10 EICDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)C[C@H]1C ZINC001191418177 1051452787 /nfs/dbraw/zinc/45/27/87/1051452787.db2.gz SDYYPGLDVCZTJY-CTNGQTDRSA-N 1 1 343.559 4.290 20 10 EICDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)C[C@H]1C ZINC001191418177 1051452794 /nfs/dbraw/zinc/45/27/94/1051452794.db2.gz SDYYPGLDVCZTJY-CTNGQTDRSA-N 1 1 343.559 4.290 20 10 EICDMO CCn1nc(C)c(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)c1C ZINC000774169008 1051490002 /nfs/dbraw/zinc/49/00/02/1051490002.db2.gz MCDIGBGPHAVZIC-VIFPVBQESA-N 1 1 342.270 4.383 20 10 EICDMO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774259129 1051532613 /nfs/dbraw/zinc/53/26/13/1051532613.db2.gz PVRFIIMWXCXAOK-TVQRCGJNSA-N 1 1 346.279 4.453 20 10 EICDMO CCC[N@@H+](Cc1cc(OC)c(C)cc1O)[C@@H]1CCCc2cccnc21 ZINC000774606388 1051810899 /nfs/dbraw/zinc/81/08/99/1051810899.db2.gz ZENHDWDJBOLVFN-GOSISDBHSA-N 1 1 340.467 4.394 20 10 EICDMO Cc1cc(C[NH2+]Cc2ccc(O)c(F)c2F)c(C)n1-c1ccccc1 ZINC001183282228 1051816818 /nfs/dbraw/zinc/81/68/18/1051816818.db2.gz RFARQLMCNFVZHS-UHFFFAOYSA-N 1 1 342.389 4.368 20 10 EICDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cccc(C(C)C)c2)c1 ZINC000775568450 1051864978 /nfs/dbraw/zinc/86/49/78/1051864978.db2.gz OBZFHOKQNSJOMK-AWEZNQCLSA-N 1 1 327.424 4.153 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2[C@H](C)CO[C@@H](c3ccccc3)[C@@H]2C)cc1 ZINC001176532870 1052115509 /nfs/dbraw/zinc/11/55/09/1052115509.db2.gz NPBBFYMPWUTBNM-KGVIQGDOSA-N 1 1 338.495 4.493 20 10 EICDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H](C)c1ccc(F)cc1 ZINC000774844501 1052198359 /nfs/dbraw/zinc/19/83/59/1052198359.db2.gz DHZGEGVYFPEISZ-GFCCVEGCSA-N 1 1 348.374 4.031 20 10 EICDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H](C)c1ccc(F)cc1 ZINC000774844501 1052198364 /nfs/dbraw/zinc/19/83/64/1052198364.db2.gz DHZGEGVYFPEISZ-GFCCVEGCSA-N 1 1 348.374 4.031 20 10 EICDMO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1ccc(F)cc1O ZINC000184835847 1052246425 /nfs/dbraw/zinc/24/64/25/1052246425.db2.gz OKKGSMMGGXKLOJ-CZUORRHYSA-N 1 1 334.460 4.081 20 10 EICDMO CC(C)(C)OC(=O)NCCC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000774881675 1052250479 /nfs/dbraw/zinc/25/04/79/1052250479.db2.gz VSEVLPHHRKRXMJ-UHFFFAOYSA-N 1 1 348.487 4.052 20 10 EICDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000131184726 1052592077 /nfs/dbraw/zinc/59/20/77/1052592077.db2.gz YDTRFQBAQULUFZ-INIZCTEOSA-N 1 1 331.843 4.084 20 10 EICDMO C[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1[O-])C[NH+]1CCCCC1 ZINC000325126356 1052984576 /nfs/dbraw/zinc/98/45/76/1052984576.db2.gz DAYPZMLTPZFYMW-IAGOWNOFSA-N 1 1 326.484 4.318 20 10 EICDMO C[C@@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1cc(F)cc(F)c1O ZINC000850520958 1053279182 /nfs/dbraw/zinc/27/91/82/1053279182.db2.gz KHVXLSYRPNVNOA-SNVBAGLBSA-N 1 1 337.341 4.202 20 10 EICDMO C[C@@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000764742652 1053285172 /nfs/dbraw/zinc/28/51/72/1053285172.db2.gz AIVBUHYRRVVSPR-XMSQKQJNSA-N 1 1 337.511 4.240 20 10 EICDMO Cc1cccc(C[N@@H+](C)Cc2cc(Br)ccc2F)c1O ZINC000775649190 1053367314 /nfs/dbraw/zinc/36/73/14/1053367314.db2.gz MGWPDISSIWOEJP-UHFFFAOYSA-N 1 1 338.220 4.234 20 10 EICDMO CC[C@H](c1ccccc1)[N@@H+](CC)Cc1cc(OC)c(OC)cc1O ZINC000775653986 1053386657 /nfs/dbraw/zinc/38/66/57/1053386657.db2.gz QCJPFTPDSASGMK-QGZVFWFLSA-N 1 1 329.440 4.383 20 10 EICDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C3CCCCC3)cc2)CCN1C ZINC000765446021 1053549843 /nfs/dbraw/zinc/54/98/43/1053549843.db2.gz PEYOMIRFWBLMGB-MJGOQNOKSA-N 1 1 329.532 4.028 20 10 EICDMO Cc1cccc(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1O ZINC000775688414 1053593176 /nfs/dbraw/zinc/59/31/76/1053593176.db2.gz QZTFTBZSXDOREH-NQIIRXRSSA-N 1 1 338.495 4.186 20 10 EICDMO C[N@H+](Cc1csc(-c2ccccc2F)n1)Cc1ccccc1O ZINC000111235958 1053666807 /nfs/dbraw/zinc/66/68/07/1053666807.db2.gz FNEPWLSOTJQZMA-UHFFFAOYSA-N 1 1 328.412 4.287 20 10 EICDMO C[N@@H+](Cc1csc(-c2ccccc2F)n1)Cc1ccccc1O ZINC000111235958 1053666814 /nfs/dbraw/zinc/66/68/14/1053666814.db2.gz FNEPWLSOTJQZMA-UHFFFAOYSA-N 1 1 328.412 4.287 20 10 EICDMO Cc1ccc2cc[nH+]c(NCc3ccc(N4CCC(O)CC4)cc3)c2c1 ZINC000853957370 1053729009 /nfs/dbraw/zinc/72/90/09/1053729009.db2.gz MJNBLTKQNSQDFS-UHFFFAOYSA-N 1 1 347.462 4.116 20 10 EICDMO C[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1cccc(C(F)(F)F)c1O ZINC000854228179 1053786101 /nfs/dbraw/zinc/78/61/01/1053786101.db2.gz ZKFXSEXUWSCQRE-HWPZZCPQSA-N 1 1 336.357 4.331 20 10 EICDMO Oc1ccc2ccccc2c1C[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000122184029 1053907933 /nfs/dbraw/zinc/90/79/33/1053907933.db2.gz HKINGIKARFYGQS-IBGZPJMESA-N 1 1 325.433 4.180 20 10 EICDMO CN(C)c1ccc(/C=C\CN[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC001198900695 1054292883 /nfs/dbraw/zinc/29/28/83/1054292883.db2.gz KFPZWPXOVOHIDU-AXKGWLQCSA-N 1 1 349.522 4.193 20 10 EICDMO CC[C@H]([NH2+]Cc1c(O)cccc1Br)c1nc(C)cs1 ZINC000858129223 1054421212 /nfs/dbraw/zinc/42/12/12/1054421212.db2.gz MRZRIJSGLKFTAX-LBPRGKRZSA-N 1 1 341.274 4.161 20 10 EICDMO CCC[N@@H+](Cc1cccc(OCC)c1O)[C@@H]1CCCc2cccnc21 ZINC000775994383 1054434108 /nfs/dbraw/zinc/43/41/08/1054434108.db2.gz LBEMJXMWSOQKKK-GOSISDBHSA-N 1 1 340.467 4.476 20 10 EICDMO CCC[N@@H+](Cc1cc(OCC)ccc1O)[C@H]1CCCc2cccnc21 ZINC000775998420 1054435280 /nfs/dbraw/zinc/43/52/80/1054435280.db2.gz VUPQLZXWSFHIRT-IBGZPJMESA-N 1 1 340.467 4.476 20 10 EICDMO Cc1cc(C[NH2+]Cc2cn(C3CCC3)nn2)c(C)n1-c1cccc(C)c1 ZINC000858293246 1054455061 /nfs/dbraw/zinc/45/50/61/1054455061.db2.gz KXKYZSBZUTYLNX-UHFFFAOYSA-N 1 1 349.482 4.009 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]2CCC[C@H](C)C2)c1 ZINC001199761216 1054463832 /nfs/dbraw/zinc/46/38/32/1054463832.db2.gz VFZIPILSOVIAPU-WCQYABFASA-N 1 1 326.278 4.379 20 10 EICDMO OCC1CCN(c2ccc(CNc3[nH+]ccc4ccccc43)cc2)CC1 ZINC000858354014 1054473040 /nfs/dbraw/zinc/47/30/40/1054473040.db2.gz OMCAYHCZQHKRTN-UHFFFAOYSA-N 1 1 347.462 4.056 20 10 EICDMO CCN(CC)c1ccc(C[NH2+]Cc2nc3cc(F)ccc3o2)cc1 ZINC000873015802 1054477023 /nfs/dbraw/zinc/47/70/23/1054477023.db2.gz XYUYCRCOHYCAFD-UHFFFAOYSA-N 1 1 327.403 4.103 20 10 EICDMO C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000858490688 1054498983 /nfs/dbraw/zinc/49/89/83/1054498983.db2.gz LVGFHFKAJHLFLV-RYUDHWBXSA-N 1 1 331.287 4.082 20 10 EICDMO CCOC(C[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1)OCC ZINC000125279271 1054757259 /nfs/dbraw/zinc/75/72/59/1054757259.db2.gz XGMRXSSJQICKSD-QGZVFWFLSA-N 1 1 343.467 4.355 20 10 EICDMO CC1(C)C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)c2ccc(F)cc2O1 ZINC001201595829 1054859342 /nfs/dbraw/zinc/85/93/42/1054859342.db2.gz URUYZCWQBALEHU-OAHLLOKOSA-N 1 1 337.341 4.202 20 10 EICDMO CC(C)[N@@H+](Cc1ccccc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876511016 1054928113 /nfs/dbraw/zinc/92/81/13/1054928113.db2.gz SVRZQOFTUUGCBN-UHFFFAOYSA-N 1 1 338.495 4.058 20 10 EICDMO CCC[N@H+](Cc1noc(-c2ccccc2C)n1)Cc1ccccc1O ZINC000126238494 1054980803 /nfs/dbraw/zinc/98/08/03/1054980803.db2.gz VHDCEGRYZNNYEI-UHFFFAOYSA-N 1 1 337.423 4.163 20 10 EICDMO CCC[N@@H+](Cc1noc(-c2ccccc2C)n1)Cc1ccccc1O ZINC000126238494 1054980817 /nfs/dbraw/zinc/98/08/17/1054980817.db2.gz VHDCEGRYZNNYEI-UHFFFAOYSA-N 1 1 337.423 4.163 20 10 EICDMO Cc1ccc(C[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(O)c1 ZINC000877336577 1055043168 /nfs/dbraw/zinc/04/31/68/1055043168.db2.gz KNAGVWVSEADRNA-ICSRJNTNSA-N 1 1 329.415 4.192 20 10 EICDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862326508 1055050948 /nfs/dbraw/zinc/05/09/48/1055050948.db2.gz PHNJHGWHDYWCGU-BLLLJJGKSA-N 1 1 347.256 4.133 20 10 EICDMO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3c(C)cccc3O)n2)cc1 ZINC000877471477 1055059915 /nfs/dbraw/zinc/05/99/15/1055059915.db2.gz XKUUEGGKBMXERB-AWEZNQCLSA-N 1 1 337.423 4.164 20 10 EICDMO COc1ccccc1[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)OC(C)C ZINC000186384416 1055429331 /nfs/dbraw/zinc/42/93/31/1055429331.db2.gz QNZUPYGJMRRZTR-XOBRGWDASA-N 1 1 347.430 4.357 20 10 EICDMO C[C@@H]([NH2+]Cc1ccccc1N1CCCCC1)c1ccc(F)cc1O ZINC000186501239 1056728123 /nfs/dbraw/zinc/72/81/23/1056728123.db2.gz LKOXSHKXHZLIAX-OAHLLOKOSA-N 1 1 328.431 4.372 20 10 EICDMO CCc1cc(CN2CC[C@@H](C[NH+](CC)CC)C2)c(O)c(C(C)(C)C)c1 ZINC000743387008 1058971583 /nfs/dbraw/zinc/97/15/83/1058971583.db2.gz CGFLQFASZGHNEC-SFHVURJKSA-N 1 1 346.559 4.416 20 10 EICDMO CN(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000743375468 1058979453 /nfs/dbraw/zinc/97/94/53/1058979453.db2.gz HRMAJRWRBNTORY-HXUWFJFHSA-N 1 1 346.474 4.252 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000743870497 1059190579 /nfs/dbraw/zinc/19/05/79/1059190579.db2.gz ULBUCZVBMCVUFI-HNNXBMFYSA-N 1 1 344.430 4.079 20 10 EICDMO COc1cc(Cl)c(C[N@H+](C)Cc2ccccc2O)c(Cl)c1 ZINC001142296327 1032283866 /nfs/dbraw/zinc/28/38/66/1032283866.db2.gz CFPLVGPVUGIMKE-UHFFFAOYSA-N 1 1 326.223 4.340 20 10 EICDMO COc1cc(Cl)c(C[N@@H+](C)Cc2ccccc2O)c(Cl)c1 ZINC001142296327 1032283885 /nfs/dbraw/zinc/28/38/85/1032283885.db2.gz CFPLVGPVUGIMKE-UHFFFAOYSA-N 1 1 326.223 4.340 20 10 EICDMO COc1ccc(C(C)(C)[NH2+]Cc2cc(Cl)c(F)cc2O)cc1F ZINC000529654518 1032511082 /nfs/dbraw/zinc/51/10/82/1032511082.db2.gz WNXCAXKYVIPWTM-UHFFFAOYSA-N 1 1 341.785 4.357 20 10 EICDMO CC[C@H]([NH2+][C@@H](c1nccn1C)c1cccc(F)c1)c1ccccc1O ZINC000155045201 1020200542 /nfs/dbraw/zinc/20/05/42/1020200542.db2.gz JWKSVAVRYIXTKE-PKOBYXMFSA-N 1 1 339.414 4.095 20 10 EICDMO C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cc(Cl)c(Cl)cc1[O-] ZINC000278822714 1022359864 /nfs/dbraw/zinc/35/98/64/1022359864.db2.gz SQVGXPQRBOEOPX-ISVAXAHUSA-N 1 1 326.227 4.150 20 10 EICDMO C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cc(Cl)c(Cl)cc1O ZINC000278822714 1022359883 /nfs/dbraw/zinc/35/98/83/1022359883.db2.gz SQVGXPQRBOEOPX-ISVAXAHUSA-N 1 1 326.227 4.150 20 10 EICDMO CCCC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2O)c1 ZINC000185045285 1023000598 /nfs/dbraw/zinc/00/05/98/1023000598.db2.gz KQZISDDWPCVPHI-CYBMUJFWSA-N 1 1 330.403 4.121 20 10 EICDMO Cc1ccccc1C1(C[NH2+][C@H](C)c2ccc(F)cc2O)CCOCC1 ZINC000185126680 1023010164 /nfs/dbraw/zinc/01/01/64/1023010164.db2.gz OFZXGWMCLJYIEW-MRXNPFEDSA-N 1 1 343.442 4.239 20 10 EICDMO CN(c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1)C1CCCCC1 ZINC000166382743 1023099522 /nfs/dbraw/zinc/09/95/22/1023099522.db2.gz CYFTWDCVXARCJW-DENIHFKCSA-N 1 1 341.543 4.172 20 10 EICDMO CN(c1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1)C1CCCCC1 ZINC000166382743 1023099530 /nfs/dbraw/zinc/09/95/30/1023099530.db2.gz CYFTWDCVXARCJW-DENIHFKCSA-N 1 1 341.543 4.172 20 10 EICDMO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1O ZINC000183506880 1023374316 /nfs/dbraw/zinc/37/43/16/1023374316.db2.gz GDFBMCBPDSSEFP-OHSMVPPVSA-N 1 1 336.479 4.238 20 10 EICDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001167594738 1026909733 /nfs/dbraw/zinc/90/97/33/1026909733.db2.gz QUIJJSOUFPUOJH-NRFANRHFSA-N 1 1 348.494 4.459 20 10 EICDMO Cc1cc[nH+]c(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000301635423 1029777243 /nfs/dbraw/zinc/77/72/43/1029777243.db2.gz KQNBMEFAVQBJQI-AWEZNQCLSA-N 1 1 333.382 4.072 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1C(C)C ZINC000530106553 1030124799 /nfs/dbraw/zinc/12/47/99/1030124799.db2.gz ZLVOGKLXTVNDDF-UHFFFAOYSA-N 1 1 337.467 4.050 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCc3nc(C4CC4)ncc3C2)cc1C(C)C ZINC000530106553 1030124824 /nfs/dbraw/zinc/12/48/24/1030124824.db2.gz ZLVOGKLXTVNDDF-UHFFFAOYSA-N 1 1 337.467 4.050 20 10 EICDMO C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccc(F)cc1O ZINC000185741763 1030223638 /nfs/dbraw/zinc/22/36/38/1030223638.db2.gz BTBDCEQLLZDYIO-KBPBESRZSA-N 1 1 325.387 4.129 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)c1cc(Cl)ccc1O ZINC000186112704 1030247553 /nfs/dbraw/zinc/24/75/53/1030247553.db2.gz DDEOGOBMXACRMW-OLZOCXBDSA-N 1 1 342.830 4.038 20 10 EICDMO CC[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccc(F)cc1O ZINC000796665056 1031092613 /nfs/dbraw/zinc/09/26/13/1031092613.db2.gz CUZQKYZKSSJNQH-ROUUACIJSA-N 1 1 346.446 4.392 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000179584453 1031222060 /nfs/dbraw/zinc/22/20/60/1031222060.db2.gz PPUAZBVUGHLAMG-LJQANCHMSA-N 1 1 339.460 4.190 20 10 EICDMO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+](C)Cc1ccccc1O ZINC000109772432 1031307202 /nfs/dbraw/zinc/30/72/02/1031307202.db2.gz ZTJDRHSFLYZXNK-LBPRGKRZSA-N 1 1 343.814 4.289 20 10 EICDMO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+](C)Cc1ccccc1O ZINC000109772432 1031307211 /nfs/dbraw/zinc/30/72/11/1031307211.db2.gz ZTJDRHSFLYZXNK-LBPRGKRZSA-N 1 1 343.814 4.289 20 10 EICDMO CC[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccc(F)cc1O ZINC000375837001 1031330509 /nfs/dbraw/zinc/33/05/09/1031330509.db2.gz FJYWXLZLLUYBDJ-OAHLLOKOSA-N 1 1 343.427 4.291 20 10 EICDMO CCOc1cccc(C[N@@H+](C)[C@@H](c2ccccc2)c2ccccn2)c1O ZINC000130939802 1031854928 /nfs/dbraw/zinc/85/49/28/1031854928.db2.gz DKIHDNSCQODESC-NRFANRHFSA-N 1 1 348.446 4.407 20 10 EICDMO COc1cc(C[N@@H+](C)Cc2scnc2C)c(O)c(C(C)(C)C)c1 ZINC000178891960 1034882276 /nfs/dbraw/zinc/88/22/76/1034882276.db2.gz FLSXGZJPSMPCKM-UHFFFAOYSA-N 1 1 334.485 4.095 20 10 EICDMO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2c2ccccc2OC)c1O ZINC000164279162 1036027601 /nfs/dbraw/zinc/02/76/01/1036027601.db2.gz KRXWHAJRSKPFQA-QGZVFWFLSA-N 1 1 327.424 4.055 20 10 EICDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c1 ZINC000164412848 1036139416 /nfs/dbraw/zinc/13/94/16/1036139416.db2.gz FOOGUFZLFGPRDU-IBGZPJMESA-N 1 1 325.452 4.048 20 10 EICDMO COc1cc(C[N@@H+](C)CCc2ncc(C)s2)c(O)c(C(C)(C)C)c1 ZINC000165210906 1036720288 /nfs/dbraw/zinc/72/02/88/1036720288.db2.gz JLQIOZNVSZKJGS-UHFFFAOYSA-N 1 1 348.512 4.138 20 10 EICDMO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2noc(-c3ccccc3)n2)c(O)c1C ZINC000273370081 1037438001 /nfs/dbraw/zinc/43/80/01/1037438001.db2.gz CGPZMZXNHHZREC-HUUCEWRRSA-N 1 1 337.423 4.471 20 10 EICDMO C[N@H+](Cc1cscn1)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000063127650 1038034393 /nfs/dbraw/zinc/03/43/93/1038034393.db2.gz OOWLACJKYSTXNK-UHFFFAOYSA-N 1 1 328.437 4.106 20 10 EICDMO C[N@@H+](Cc1cscn1)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000063127650 1038034413 /nfs/dbraw/zinc/03/44/13/1038034413.db2.gz OOWLACJKYSTXNK-UHFFFAOYSA-N 1 1 328.437 4.106 20 10 EICDMO Oc1ccc(Br)cc1CNc1cccc2cc[nH+]cc21 ZINC000226653732 1038319134 /nfs/dbraw/zinc/31/91/34/1038319134.db2.gz KHSXFGWTKVWTHS-UHFFFAOYSA-N 1 1 329.197 4.315 20 10 EICDMO CC[C@@H]([NH2+]C1(c2ccc3c(c2)OCCO3)CC1)c1ccc(F)cc1O ZINC000903293108 1041005590 /nfs/dbraw/zinc/00/55/90/1041005590.db2.gz AURRAFMKYCRSEZ-MRXNPFEDSA-N 1 1 343.398 4.033 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168437946 1041932369 /nfs/dbraw/zinc/93/23/69/1041932369.db2.gz KRUSPTXCPYEIBJ-QFIPXVFZSA-N 1 1 338.470 4.415 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc1C ZINC000727423609 1043217946 /nfs/dbraw/zinc/21/79/46/1043217946.db2.gz JUZAQMXKKHHBMY-IBGZPJMESA-N 1 1 349.833 4.375 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc1C ZINC000727423609 1043217958 /nfs/dbraw/zinc/21/79/58/1043217958.db2.gz JUZAQMXKKHHBMY-IBGZPJMESA-N 1 1 349.833 4.375 20 10 EICDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000731871365 1043842342 /nfs/dbraw/zinc/84/23/42/1043842342.db2.gz DIWYYHVSHPWYSL-CYBMUJFWSA-N 1 1 330.453 4.080 20 10 EICDMO Oc1ccccc1C[N@H+](C[C@@H](O)c1ccc(F)cc1F)C1CCCC1 ZINC000732204250 1043888054 /nfs/dbraw/zinc/88/80/54/1043888054.db2.gz GTXIGELLCIUCSS-HXUWFJFHSA-N 1 1 347.405 4.149 20 10 EICDMO COC(=O)CC[N@@H+](Cc1cc2oc3ccccc3c2cc1O)C(C)C ZINC000733182846 1044125859 /nfs/dbraw/zinc/12/58/59/1044125859.db2.gz AYZBUIPZICZIOH-UHFFFAOYSA-N 1 1 341.407 4.065 20 10 EICDMO Cc1ccc(OCc2nc(C[NH2+]Cc3ccccc3O)cs2)cc1 ZINC000733326999 1044187827 /nfs/dbraw/zinc/18/78/27/1044187827.db2.gz IFSNBJWKAOEUIE-UHFFFAOYSA-N 1 1 340.448 4.026 20 10 EICDMO CCCCC[C@H](C)NC(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000733613468 1044268737 /nfs/dbraw/zinc/26/87/37/1044268737.db2.gz XPIPFJADLKIJEJ-KRWDZBQOSA-N 1 1 346.515 4.222 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2CCCc3cccnc32)c1 ZINC000922881561 1045020688 /nfs/dbraw/zinc/02/06/88/1045020688.db2.gz JMFOGCFEXCOBPN-HNNXBMFYSA-N 1 1 347.256 4.025 20 10 EICDMO Cc1cc(C[N@H+]2CCC[C@H](n3ccnc3)C2)c(O)c(C(C)(C)C)c1 ZINC000738159893 1045041365 /nfs/dbraw/zinc/04/13/65/1045041365.db2.gz UMBQIUOBEHRJCR-KRWDZBQOSA-N 1 1 327.472 4.032 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1C ZINC000738269392 1045047175 /nfs/dbraw/zinc/04/71/75/1045047175.db2.gz NAAFFRDWMFJULI-KRWDZBQOSA-N 1 1 341.426 4.243 20 10 EICDMO COc1cc(C[N@@H+](C)Cc2cccc(F)c2)c(O)c(C(C)(C)C)c1 ZINC000915808051 1045469059 /nfs/dbraw/zinc/46/90/59/1045469059.db2.gz QYTZZMZHFDFBMP-UHFFFAOYSA-N 1 1 331.431 4.469 20 10 EICDMO COc1cc(C[N@@H+](C)Cc2ccccc2F)c(O)c(C(C)(C)C)c1 ZINC000915813918 1045473776 /nfs/dbraw/zinc/47/37/76/1045473776.db2.gz MSKNSVSMZMULTO-UHFFFAOYSA-N 1 1 331.431 4.469 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1cscc1Cl)C[C@@H]1CCCO1 ZINC000768163313 1045731606 /nfs/dbraw/zinc/73/16/06/1045731606.db2.gz XZQNVIGSTQVEMX-HNNXBMFYSA-N 1 1 337.872 4.288 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1cscc1Cl)C[C@@H]1CCCO1 ZINC000768163313 1045731589 /nfs/dbraw/zinc/73/15/89/1045731589.db2.gz XZQNVIGSTQVEMX-HNNXBMFYSA-N 1 1 337.872 4.288 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1coc2ccccc12)C[C@@H]1CCCO1 ZINC000768163292 1045732953 /nfs/dbraw/zinc/73/29/53/1045732953.db2.gz XQNAFARHMRJFRP-SFHVURJKSA-N 1 1 337.419 4.320 20 10 EICDMO CCOc1cccc(C[N@@H+](C)Cc2cc(Cl)ccc2OC)c1O ZINC000768205426 1045742440 /nfs/dbraw/zinc/74/24/40/1045742440.db2.gz FDKIGCXPGKPIFE-UHFFFAOYSA-N 1 1 335.831 4.085 20 10 EICDMO CCOc1cccc(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)c1O ZINC000768256364 1045766887 /nfs/dbraw/zinc/76/68/87/1045766887.db2.gz DHULTSQZSOPWDQ-UHFFFAOYSA-N 1 1 333.378 4.234 20 10 EICDMO C[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000768270941 1045770863 /nfs/dbraw/zinc/77/08/63/1045770863.db2.gz GPDRNTHAVQPLHF-BQBZGAKWSA-N 1 1 344.146 4.285 20 10 EICDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc3c(cc1O)CCC3)CCC2 ZINC000763219820 1045772155 /nfs/dbraw/zinc/77/21/55/1045772155.db2.gz MAFCMHLNGMFLDJ-KRWDZBQOSA-N 1 1 342.508 4.409 20 10 EICDMO C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768263886 1045773069 /nfs/dbraw/zinc/77/30/69/1045773069.db2.gz YGCTYLMOJDYMPC-HNNXBMFYSA-N 1 1 343.427 4.371 20 10 EICDMO CSc1ccccc1C[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000791604701 1045787083 /nfs/dbraw/zinc/78/70/83/1045787083.db2.gz YHFVKOLUPRGINN-UHFFFAOYSA-N 1 1 333.428 4.088 20 10 EICDMO CSc1ccccc1C[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000791604701 1045787103 /nfs/dbraw/zinc/78/71/03/1045787103.db2.gz YHFVKOLUPRGINN-UHFFFAOYSA-N 1 1 333.428 4.088 20 10 EICDMO CC(C)[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1F ZINC000768335101 1045790628 /nfs/dbraw/zinc/79/06/28/1045790628.db2.gz VIPIPPQCARGBGJ-UHFFFAOYSA-N 1 1 342.458 4.073 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)cc1F ZINC000768354102 1045796820 /nfs/dbraw/zinc/79/68/20/1045796820.db2.gz FHJZSQMALVZVNY-FQEVSTJZSA-N 1 1 327.447 4.404 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCCC[C@H]2Cc2ccccc2)cc1OC ZINC000768445183 1045807168 /nfs/dbraw/zinc/80/71/68/1045807168.db2.gz QMDJNGBBOFINFY-SFHVURJKSA-N 1 1 341.451 4.007 20 10 EICDMO COc1cc(O)c(C[N@H+](Cc2ccccc2)CC(C)C)cc1OC ZINC000768441114 1045807233 /nfs/dbraw/zinc/80/72/33/1045807233.db2.gz VMDVEFBRDTVJFN-UHFFFAOYSA-N 1 1 329.440 4.068 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CCCO[C@@H](c3ccccc3)C1)CCCC2 ZINC000768453577 1045808947 /nfs/dbraw/zinc/80/89/47/1045808947.db2.gz YYFMKZXURMLEPO-JOCHJYFZSA-N 1 1 337.463 4.235 20 10 EICDMO COc1cc(O)c(C[N@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)cc1OC ZINC000768465751 1045811396 /nfs/dbraw/zinc/81/13/96/1045811396.db2.gz KGOZQDGNEMXTRK-QAPCUYQASA-N 1 1 341.451 4.035 20 10 EICDMO CCOc1ccc(C[N@@H+](CC)[C@H](C)c2cccc(OC)c2)c(O)c1 ZINC000768519693 1045814336 /nfs/dbraw/zinc/81/43/36/1045814336.db2.gz BNKIXQSCMSIJKS-OAHLLOKOSA-N 1 1 329.440 4.383 20 10 EICDMO CCOc1cccc(C[N@H+]2CCc3[nH]c4ccc(C)cc4c3C2)c1O ZINC000768765273 1045834050 /nfs/dbraw/zinc/83/40/50/1045834050.db2.gz CGXAWXIOEAFGBS-UHFFFAOYSA-N 1 1 336.435 4.139 20 10 EICDMO CCOc1cccc(C[N@@H+]2CCc3[nH]c4ccc(C)cc4c3C2)c1O ZINC000768765273 1045834047 /nfs/dbraw/zinc/83/40/47/1045834047.db2.gz CGXAWXIOEAFGBS-UHFFFAOYSA-N 1 1 336.435 4.139 20 10 EICDMO COc1cc(Cl)c(C[N@@H+](C)Cc2ccccc2O)cc1Cl ZINC000768872769 1045851854 /nfs/dbraw/zinc/85/18/54/1045851854.db2.gz ILZAWTIMSVTSLA-UHFFFAOYSA-N 1 1 326.223 4.340 20 10 EICDMO Cc1ccc(O)c(C[N@@H+](C)Cc2csc(Br)c2)c1 ZINC000768937453 1045863294 /nfs/dbraw/zinc/86/32/94/1045863294.db2.gz SJCIUGZBIPTNPS-UHFFFAOYSA-N 1 1 326.259 4.157 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000076074255 1045866480 /nfs/dbraw/zinc/86/64/80/1045866480.db2.gz NGSVSNBLXSDNCS-OAHLLOKOSA-N 1 1 337.423 4.415 20 10 EICDMO Cc1ccc(C2CC[NH+](Cc3c(O)ccc(Cl)c3F)CC2)cn1 ZINC000792173906 1045871509 /nfs/dbraw/zinc/87/15/09/1045871509.db2.gz LOOXOYCXTVGJPC-UHFFFAOYSA-N 1 1 334.822 4.268 20 10 EICDMO COc1ccc(N2CCC[N@@H+](Cc3coc4ccccc34)CC2)cc1 ZINC000768999606 1045874925 /nfs/dbraw/zinc/87/49/25/1045874925.db2.gz ZXIAYNYWLQRDFN-UHFFFAOYSA-N 1 1 336.435 4.154 20 10 EICDMO CCOc1cccc(C[N@H+]2CCC[C@H]2Cc2ccccc2OC)c1O ZINC000769189856 1045883786 /nfs/dbraw/zinc/88/37/86/1045883786.db2.gz SJWMDLMJQHTCJK-SFHVURJKSA-N 1 1 341.451 4.007 20 10 EICDMO CCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1O ZINC000769201357 1045893191 /nfs/dbraw/zinc/89/31/91/1045893191.db2.gz SCBNTQSARLPQCB-YFHOEESVSA-N 1 1 326.396 4.226 20 10 EICDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000769483715 1045971001 /nfs/dbraw/zinc/97/10/01/1045971001.db2.gz ICHUZRUXOJHTDK-OAQYLSRUSA-N 1 1 328.500 4.070 20 10 EICDMO Cc1ccc(O)c(C[N@@H+](CC(C)C)C[C@H](O)c2ccc(F)cc2)c1 ZINC000769447558 1045974818 /nfs/dbraw/zinc/97/48/18/1045974818.db2.gz YCVCNRLIBIDXBY-FQEVSTJZSA-N 1 1 331.431 4.031 20 10 EICDMO CCOc1cccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c1O ZINC000769465683 1045983980 /nfs/dbraw/zinc/98/39/80/1045983980.db2.gz IMZJFVDKFCIUTD-YOEHRIQHSA-N 1 1 329.415 4.308 20 10 EICDMO CCOc1ccc(C[N@@H+](C)[C@H](C)c2sc(CC)nc2C)c(O)c1 ZINC000769470344 1045984866 /nfs/dbraw/zinc/98/48/66/1045984866.db2.gz LOAFLMSBPBNNRI-CYBMUJFWSA-N 1 1 334.485 4.311 20 10 EICDMO CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1C ZINC000769470639 1045987576 /nfs/dbraw/zinc/98/75/76/1045987576.db2.gz MPHUSXWRLFSMHJ-FZMZJTMJSA-N 1 1 331.287 4.004 20 10 EICDMO CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1C ZINC000769470639 1045987556 /nfs/dbraw/zinc/98/75/56/1045987556.db2.gz MPHUSXWRLFSMHJ-FZMZJTMJSA-N 1 1 331.287 4.004 20 10 EICDMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1C ZINC000769470639 1045987597 /nfs/dbraw/zinc/98/75/97/1045987597.db2.gz MPHUSXWRLFSMHJ-FZMZJTMJSA-N 1 1 331.287 4.004 20 10 EICDMO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H](c2ccc(F)cc2)O1 ZINC000769476217 1045991018 /nfs/dbraw/zinc/99/10/18/1045991018.db2.gz XHAWURJDMNEAKV-KZULUSFZSA-N 1 1 335.806 4.147 20 10 EICDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@H](c2ccc(F)cc2)O1 ZINC000769476217 1045991029 /nfs/dbraw/zinc/99/10/29/1045991029.db2.gz XHAWURJDMNEAKV-KZULUSFZSA-N 1 1 335.806 4.147 20 10 EICDMO C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@H](c2ccc(F)cc2)O1 ZINC000769474843 1045992579 /nfs/dbraw/zinc/99/25/79/1045992579.db2.gz SKZKNWJFLGBSMJ-KPZWWZAWSA-N 1 1 335.806 4.147 20 10 EICDMO C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H](c2ccc(F)cc2)O1 ZINC000769474843 1045992567 /nfs/dbraw/zinc/99/25/67/1045992567.db2.gz SKZKNWJFLGBSMJ-KPZWWZAWSA-N 1 1 335.806 4.147 20 10 EICDMO CCOc1cccc(C[N@@H+](C)C[C@H](C)Cc2ccc(OC)cc2)c1O ZINC000769519677 1046005964 /nfs/dbraw/zinc/00/59/64/1046005964.db2.gz WPZKEIRUOCWNDX-MRXNPFEDSA-N 1 1 343.467 4.110 20 10 EICDMO CC[N@@H+](Cc1cc(C)ccc1O)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000769530886 1046008539 /nfs/dbraw/zinc/00/85/39/1046008539.db2.gz ODUFQEFLKQOXBW-HXUWFJFHSA-N 1 1 338.495 4.045 20 10 EICDMO CC[N@H+](Cc1cc(C)ccc1O)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000769530886 1046008553 /nfs/dbraw/zinc/00/85/53/1046008553.db2.gz ODUFQEFLKQOXBW-HXUWFJFHSA-N 1 1 338.495 4.045 20 10 EICDMO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1cc(Br)ccc1O ZINC000769537542 1046014362 /nfs/dbraw/zinc/01/43/62/1046014362.db2.gz LVYRZOJIAFBWGT-INIZCTEOSA-N 1 1 349.272 4.220 20 10 EICDMO CCOc1cccc(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)c1O ZINC000769560196 1046020652 /nfs/dbraw/zinc/02/06/52/1046020652.db2.gz TZGFPDFTJVQFFU-ZDUSSCGKSA-N 1 1 333.378 4.059 20 10 EICDMO CCC[N@@H+](Cc1ccnn1-c1ccc(F)cc1)Cc1ccccc1O ZINC000792799747 1046063826 /nfs/dbraw/zinc/06/38/26/1046063826.db2.gz PPMSAZZIHRGWID-UHFFFAOYSA-N 1 1 339.414 4.129 20 10 EICDMO CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(F)cc1O ZINC000796696568 1046102014 /nfs/dbraw/zinc/10/20/14/1046102014.db2.gz SPOSDJMJAUUNEI-SJKOYZFVSA-N 1 1 342.414 4.218 20 10 EICDMO CN(C)c1ccc(C[N@H+](Cc2ccn(C3CCCC3)n2)C2CC2)cc1 ZINC000763398137 1046127194 /nfs/dbraw/zinc/12/71/94/1046127194.db2.gz QKYJZJPYIAPYEE-UHFFFAOYSA-N 1 1 338.499 4.229 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2ccn(C3CCCC3)n2)C2CC2)cc1 ZINC000763398137 1046127202 /nfs/dbraw/zinc/12/72/02/1046127202.db2.gz QKYJZJPYIAPYEE-UHFFFAOYSA-N 1 1 338.499 4.229 20 10 EICDMO Oc1ccccc1C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000770504561 1046210291 /nfs/dbraw/zinc/21/02/91/1046210291.db2.gz JFRFJOKRALWWEK-PZJWPPBQSA-N 1 1 325.452 4.261 20 10 EICDMO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)c1ncc(C)o1 ZINC000771446392 1046405890 /nfs/dbraw/zinc/40/58/90/1046405890.db2.gz KZUKPLZFNNDMKJ-LLVKDONJSA-N 1 1 339.233 4.034 20 10 EICDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H](C)c1ncc(C)o1 ZINC000771446392 1046405902 /nfs/dbraw/zinc/40/59/02/1046405902.db2.gz KZUKPLZFNNDMKJ-LLVKDONJSA-N 1 1 339.233 4.034 20 10 EICDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cnc(-c2ccccc2)nc1 ZINC000771536058 1046440805 /nfs/dbraw/zinc/44/08/05/1046440805.db2.gz KGPYNSJUYUTPBC-UHFFFAOYSA-N 1 1 346.478 4.232 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1ccco1)Cc1ccc2c(c1)COC2 ZINC000771925053 1046519517 /nfs/dbraw/zinc/51/95/17/1046519517.db2.gz VDZYCTRFKYRVDM-UHFFFAOYSA-N 1 1 335.403 4.218 20 10 EICDMO COc1ccc(N2CCC[N@H+]([C@@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000917088486 1046674409 /nfs/dbraw/zinc/67/44/09/1046674409.db2.gz YGXMFNXSOMJKBV-INIZCTEOSA-N 1 1 328.431 4.108 20 10 EICDMO COc1ccc(N2CCC[N@H+]([C@H](C)c3ccccc3F)CC2)cc1 ZINC000917088511 1046675099 /nfs/dbraw/zinc/67/50/99/1046675099.db2.gz ZXLWYVDQXLLPNN-MRXNPFEDSA-N 1 1 328.431 4.108 20 10 EICDMO Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O)N(C)C ZINC000785581423 1046711462 /nfs/dbraw/zinc/71/14/62/1046711462.db2.gz PPQCBXNQOVXQLM-MDOVXXIYSA-N 1 1 330.447 4.182 20 10 EICDMO Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)c1ccc(F)cc1O)N(C)C ZINC000785581425 1046712718 /nfs/dbraw/zinc/71/27/18/1046712718.db2.gz PPQCBXNQOVXQLM-SIFCLUCFSA-N 1 1 330.447 4.182 20 10 EICDMO C[N@H+](Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)CC1CC(O)C1 ZINC000785984137 1046798657 /nfs/dbraw/zinc/79/86/57/1046798657.db2.gz GFRGVCKRTBPUHN-UHFFFAOYSA-N 1 1 333.516 4.190 20 10 EICDMO Cc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2O)c1Br ZINC000786946786 1046884135 /nfs/dbraw/zinc/88/41/35/1046884135.db2.gz UVSXZSXNRXNEBO-LLVKDONJSA-N 1 1 338.220 4.453 20 10 EICDMO COc1ccc(N2CCC[N@H+]([C@H](C)CCc3ccccc3)CC2)cc1 ZINC000917831502 1047174121 /nfs/dbraw/zinc/17/41/21/1047174121.db2.gz DBFVJJRTIGPDLA-LJQANCHMSA-N 1 1 338.495 4.229 20 10 EICDMO C[C@@H]([NH2+]CCc1ccccc1O)c1cccc(C(F)(F)F)c1O ZINC000788581546 1047238967 /nfs/dbraw/zinc/23/89/67/1047238967.db2.gz BIJIYKMPDKACBK-LLVKDONJSA-N 1 1 325.330 4.010 20 10 EICDMO C[C@@H]([NH2+]Cc1ccccc1N(C)C)c1cccc(C(F)(F)F)c1O ZINC000788646752 1047248068 /nfs/dbraw/zinc/24/80/68/1047248068.db2.gz RNNMPUMRFBKFOF-GFCCVEGCSA-N 1 1 338.373 4.328 20 10 EICDMO CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CCO1 ZINC000788646923 1047249041 /nfs/dbraw/zinc/24/90/41/1047249041.db2.gz FHKCVJOAAUMCJA-SLEUVZQESA-N 1 1 331.378 4.265 20 10 EICDMO Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788671657 1047270853 /nfs/dbraw/zinc/27/08/53/1047270853.db2.gz NAVLYFOBANJNRO-UWVGGRQHSA-N 1 1 342.361 4.470 20 10 EICDMO C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1cccc(C(F)(F)F)c1O ZINC000788741785 1047302331 /nfs/dbraw/zinc/30/23/31/1047302331.db2.gz VDZDXYBRKUOZGH-FRRDWIJNSA-N 1 1 331.378 4.267 20 10 EICDMO COc1c2ccccc2oc1C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000788980917 1047351310 /nfs/dbraw/zinc/35/13/10/1047351310.db2.gz PJCOIEWJHQWVBX-JTQLQIEISA-N 1 1 333.334 4.276 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+]2CCSC(C)(C)CC2)c1 ZINC000789763992 1047470013 /nfs/dbraw/zinc/47/00/13/1047470013.db2.gz SMLOPRWAGOOAEQ-UHFFFAOYSA-N 1 1 344.318 4.181 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CC[C@@]3(C1)CCCOC3)oc1ccccc12 ZINC000789569420 1047441061 /nfs/dbraw/zinc/44/10/61/1047441061.db2.gz ZQZZNRAMKUGXEW-OAQYLSRUSA-N 1 1 337.419 4.294 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCSC(C)(C)CC2)c1 ZINC000789763992 1047470008 /nfs/dbraw/zinc/47/00/08/1047470008.db2.gz SMLOPRWAGOOAEQ-UHFFFAOYSA-N 1 1 344.318 4.181 20 10 EICDMO CC1(C)C[N@@H+](Cc2c(O)ccc3ccncc32)CC[C@@H]1C(F)(F)F ZINC000790460109 1047593791 /nfs/dbraw/zinc/59/37/91/1047593791.db2.gz KZLIMZVJYBBWQY-INIZCTEOSA-N 1 1 338.373 4.351 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+][C@H](c2ccncc2)C2CC2)c1 ZINC000898321981 1047613342 /nfs/dbraw/zinc/61/33/42/1047613342.db2.gz GBPYXBPEHHUNCG-INIZCTEOSA-N 1 1 347.256 4.099 20 10 EICDMO COc1c(O)c(C[N@H+](C(C)C)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000814169534 1047873004 /nfs/dbraw/zinc/87/30/04/1047873004.db2.gz JELINXSDHXECPS-CQSZACIVSA-N 1 1 344.411 4.281 20 10 EICDMO COc1c(O)c(C[N@@H+](C(C)C)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000814169534 1047873007 /nfs/dbraw/zinc/87/30/07/1047873007.db2.gz JELINXSDHXECPS-CQSZACIVSA-N 1 1 344.411 4.281 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1Cl ZINC000824926828 1047995808 /nfs/dbraw/zinc/99/58/08/1047995808.db2.gz HXENCMZUIBHOPM-WMLDXEAASA-N 1 1 335.831 4.035 20 10 EICDMO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1cc(Cl)c(Cl)cc1O ZINC000808721929 1048071213 /nfs/dbraw/zinc/07/12/13/1048071213.db2.gz VRLUNZNCZYSFCT-PSVSLLHZSA-N 1 1 340.250 4.472 20 10 EICDMO Cc1cc(O)c(C[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)cc1Cl ZINC000825425743 1048089453 /nfs/dbraw/zinc/08/94/53/1048089453.db2.gz JDKXIAOTWCHCQY-OAHLLOKOSA-N 1 1 335.835 4.101 20 10 EICDMO COC[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)c1cccc(Cl)c1 ZINC000808731788 1048095636 /nfs/dbraw/zinc/09/56/36/1048095636.db2.gz ALGBVUMYAFBDLY-QLJPJBMISA-N 1 1 341.785 4.362 20 10 EICDMO Cc1cc(C[N@H+](Cc2ccco2)Cc2cccnc2)ccc1N(C)C ZINC000815079262 1048322305 /nfs/dbraw/zinc/32/23/05/1048322305.db2.gz PLYOPVOIFUSHOY-UHFFFAOYSA-N 1 1 335.451 4.251 20 10 EICDMO Cc1cc(C[N@@H+](Cc2ccco2)Cc2cccnc2)ccc1N(C)C ZINC000815079262 1048322320 /nfs/dbraw/zinc/32/23/20/1048322320.db2.gz PLYOPVOIFUSHOY-UHFFFAOYSA-N 1 1 335.451 4.251 20 10 EICDMO CCc1cc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000919941350 1048323308 /nfs/dbraw/zinc/32/33/08/1048323308.db2.gz XWRDVQJNRWZJKA-MRXNPFEDSA-N 1 1 331.500 4.253 20 10 EICDMO COc1ccc2ccc(O)c(C[N@@H+](C)CCc3ccc(F)cc3)c2c1 ZINC000919948005 1048330858 /nfs/dbraw/zinc/33/08/58/1048330858.db2.gz FHOZQFYSHSUABK-UHFFFAOYSA-N 1 1 339.410 4.368 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1ccc2occc2c1)C[C@@H]1CCCO1 ZINC000809538868 1048399468 /nfs/dbraw/zinc/39/94/68/1048399468.db2.gz UNBJDHBEDIRYNU-IBGZPJMESA-N 1 1 337.419 4.320 20 10 EICDMO Oc1ccc(Cl)cc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000809699993 1048464346 /nfs/dbraw/zinc/46/43/46/1048464346.db2.gz VPEBRQGUGGHARZ-GUDVDZBRSA-N 1 1 343.854 4.050 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000809728882 1048481397 /nfs/dbraw/zinc/48/13/97/1048481397.db2.gz KEDKUQRRSDULSP-INIZCTEOSA-N 1 1 347.256 4.195 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000809728882 1048481412 /nfs/dbraw/zinc/48/14/12/1048481412.db2.gz KEDKUQRRSDULSP-INIZCTEOSA-N 1 1 347.256 4.195 20 10 EICDMO C[C@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000809704226 1048488010 /nfs/dbraw/zinc/48/80/10/1048488010.db2.gz WMSDRLNCROIGNQ-UWJYYQICSA-N 1 1 336.479 4.118 20 10 EICDMO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc(-c2ccccc2)ccc1O ZINC000809704226 1048488024 /nfs/dbraw/zinc/48/80/24/1048488024.db2.gz WMSDRLNCROIGNQ-UWJYYQICSA-N 1 1 336.479 4.118 20 10 EICDMO CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@@H]2c2nc(C)no2)cc1 ZINC000809721707 1048496965 /nfs/dbraw/zinc/49/69/65/1048496965.db2.gz YDPHNHGIDFKYHX-LJQANCHMSA-N 1 1 342.487 4.342 20 10 EICDMO CCCN(CCC)c1ccc(C[N@H+]2CCC[C@@H]2c2nc(C)no2)cc1 ZINC000809721707 1048496976 /nfs/dbraw/zinc/49/69/76/1048496976.db2.gz YDPHNHGIDFKYHX-LJQANCHMSA-N 1 1 342.487 4.342 20 10 EICDMO CN1CCC([N@@H+](Cc2ccccc2)Cc2cc(Cl)ccc2O)CC1 ZINC000809767065 1048500215 /nfs/dbraw/zinc/50/02/15/1048500215.db2.gz WWXDIKBYGIWMCO-UHFFFAOYSA-N 1 1 344.886 4.142 20 10 EICDMO CCOc1ccc(C[N@H+]2CCCCC[C@H]2c2c(C)n[nH]c2C)c(O)c1 ZINC000809756343 1048521436 /nfs/dbraw/zinc/52/14/36/1048521436.db2.gz GLIPENSYBILZAR-SFHVURJKSA-N 1 1 343.471 4.248 20 10 EICDMO C[C@@H]([NH2+]CCCc1nccs1)c1cccc(C(F)(F)F)c1O ZINC000815594491 1048526966 /nfs/dbraw/zinc/52/69/66/1048526966.db2.gz PXJKUEYDMDUZJV-SNVBAGLBSA-N 1 1 330.375 4.151 20 10 EICDMO C[C@H]([NH2+]CCCc1nccs1)c1cccc(C(F)(F)F)c1O ZINC000815594490 1048527941 /nfs/dbraw/zinc/52/79/41/1048527941.db2.gz PXJKUEYDMDUZJV-JTQLQIEISA-N 1 1 330.375 4.151 20 10 EICDMO Oc1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1CCCC1(F)F ZINC000809780147 1048530603 /nfs/dbraw/zinc/53/06/03/1048530603.db2.gz NENSEUXEDLCAFJ-GOSISDBHSA-N 1 1 333.378 4.249 20 10 EICDMO C[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1cccc(C(F)(F)F)c1O ZINC000815617870 1048544013 /nfs/dbraw/zinc/54/40/13/1048544013.db2.gz XBTDOHYFKIGSKZ-YMRXKLBXSA-N 1 1 343.389 4.267 20 10 EICDMO CO[C@@H](CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)C(F)(F)F ZINC000815619141 1048546900 /nfs/dbraw/zinc/54/69/00/1048546900.db2.gz DQEFZLCWIJPNPO-KCJUWKMLSA-N 1 1 345.283 4.029 20 10 EICDMO C[N@@H+](Cc1cc2cnccc2o1)Cc1ccc(N2CCCCC2)cc1 ZINC000845902270 1048758833 /nfs/dbraw/zinc/75/88/33/1048758833.db2.gz CJUXBLDGHKRDPA-UHFFFAOYSA-N 1 1 335.451 4.450 20 10 EICDMO CC(C)CCc1noc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000920781732 1048771079 /nfs/dbraw/zinc/77/10/79/1048771079.db2.gz ZTDMJZOLIZIGEY-UHFFFAOYSA-N 1 1 344.503 4.135 20 10 EICDMO CC(C)CCc1noc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000920781732 1048771093 /nfs/dbraw/zinc/77/10/93/1048771093.db2.gz ZTDMJZOLIZIGEY-UHFFFAOYSA-N 1 1 344.503 4.135 20 10 EICDMO Oc1c(C[N@H+]2CCCN(c3ccccc3)CC2)ccc2ccccc21 ZINC000816495394 1048814590 /nfs/dbraw/zinc/81/45/90/1048814590.db2.gz VQPGOAUJBPRQFK-UHFFFAOYSA-N 1 1 332.447 4.258 20 10 EICDMO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2cc(Cl)c(F)cc2O)s1 ZINC000816506618 1048821236 /nfs/dbraw/zinc/82/12/36/1048821236.db2.gz IIXPBMKOBMBFIX-SECBINFHSA-N 1 1 328.840 4.451 20 10 EICDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cc(Cl)c(F)cc2O)s1 ZINC000816506618 1048821238 /nfs/dbraw/zinc/82/12/38/1048821238.db2.gz IIXPBMKOBMBFIX-SECBINFHSA-N 1 1 328.840 4.451 20 10 EICDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c1O ZINC000846105634 1048822420 /nfs/dbraw/zinc/82/24/20/1048822420.db2.gz XHAKVFJUEXCVOP-CQSZACIVSA-N 1 1 346.215 4.084 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H](c1ccccc1)c1ccncc1 ZINC000816548109 1048828437 /nfs/dbraw/zinc/82/84/37/1048828437.db2.gz UZIFEHXALIGRIT-LJQANCHMSA-N 1 1 342.801 4.459 20 10 EICDMO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816548422 1048828657 /nfs/dbraw/zinc/82/86/57/1048828657.db2.gz HFKPCIHCEIKYBA-CZUORRHYSA-N 1 1 348.849 4.110 20 10 EICDMO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816589007 1048832906 /nfs/dbraw/zinc/83/29/06/1048832906.db2.gz IPCVONFFEQEXHY-GFCCVEGCSA-N 1 1 325.733 4.348 20 10 EICDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816589007 1048832911 /nfs/dbraw/zinc/83/29/11/1048832911.db2.gz IPCVONFFEQEXHY-GFCCVEGCSA-N 1 1 325.733 4.348 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccccc1OCC1CC1 ZINC000816552138 1048833108 /nfs/dbraw/zinc/83/31/08/1048833108.db2.gz BVCKPHDJBRDTAZ-UHFFFAOYSA-N 1 1 335.806 4.263 20 10 EICDMO CC(C)[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H](O)c1ccccc1 ZINC000816594386 1048833168 /nfs/dbraw/zinc/83/31/68/1048833168.db2.gz BJYAGMFJEQNKKT-QZTJIDSGSA-N 1 1 337.822 4.033 20 10 EICDMO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816560767 1048835314 /nfs/dbraw/zinc/83/53/14/1048835314.db2.gz ZURIGXPQDNQEEH-QGHHPUGFSA-N 1 1 341.785 4.190 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCCOc2c(F)cccc21 ZINC000816564592 1048837100 /nfs/dbraw/zinc/83/71/00/1048837100.db2.gz KSFXPSFVLAKSQF-OAHLLOKOSA-N 1 1 339.769 4.327 20 10 EICDMO C[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000846188565 1048838206 /nfs/dbraw/zinc/83/82/06/1048838206.db2.gz QBLSZAGECLCTAD-ZBEGNZNMSA-N 1 1 343.389 4.267 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000816650766 1048848489 /nfs/dbraw/zinc/84/84/89/1048848489.db2.gz BGXOBKMBGHKQQI-UHFFFAOYSA-N 1 1 349.711 4.215 20 10 EICDMO COc1cc(O)c(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)cc1OC ZINC000816632158 1048851259 /nfs/dbraw/zinc/85/12/59/1048851259.db2.gz WSENMVOTMJXNBN-CQSZACIVSA-N 1 1 347.842 4.052 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2ccccc2)C2(CO)CCCC2)cc1 ZINC001170614821 1048859881 /nfs/dbraw/zinc/85/98/81/1048859881.db2.gz QLIRHJXCBBDVIR-UHFFFAOYSA-N 1 1 338.495 4.060 20 10 EICDMO C[C@H]1C[C@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c2ccsc2S1 ZINC000817942500 1049061137 /nfs/dbraw/zinc/06/11/37/1049061137.db2.gz PANPIQZZWQOHRS-ZLIFDBKOSA-N 1 1 347.553 4.029 20 10 EICDMO C[C@H]1C[C@@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c2ccsc2S1 ZINC000817942498 1049062255 /nfs/dbraw/zinc/06/22/55/1049062255.db2.gz PANPIQZZWQOHRS-JCURWCKSSA-N 1 1 347.553 4.029 20 10 EICDMO Cc1cc(N)cc(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)c1 ZINC000817981085 1049077382 /nfs/dbraw/zinc/07/73/82/1049077382.db2.gz PVELLBPJRDMULX-SNVBAGLBSA-N 1 1 325.239 4.440 20 10 EICDMO Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000747831757 1049658140 /nfs/dbraw/zinc/65/81/40/1049658140.db2.gz SHNYJGVTHRTCHH-IAGOWNOFSA-N 1 1 331.500 4.247 20 10 EICDMO COc1cc(C)cc(C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)c1O ZINC000773253605 1049672545 /nfs/dbraw/zinc/67/25/45/1049672545.db2.gz VHXOTTRMGGXHTH-UHFFFAOYSA-N 1 1 344.842 4.047 20 10 EICDMO C[NH+]1C(C)(C)CC(NCc2ccc(N3CCCC3)cc2)CC1(C)C ZINC001171619806 1049766370 /nfs/dbraw/zinc/76/63/70/1049766370.db2.gz QYYGTDINTNOJMW-UHFFFAOYSA-N 1 1 329.532 4.028 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2Cc2ccccc2F)cc1 ZINC001171791477 1049804610 /nfs/dbraw/zinc/80/46/10/1049804610.db2.gz LYNMBZAFJMRDLI-HXUWFJFHSA-N 1 1 326.459 4.489 20 10 EICDMO Oc1ccc2ccccc2c1C[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000216679807 1049828660 /nfs/dbraw/zinc/82/86/60/1049828660.db2.gz HNHFXQAYOQHLPM-NRFANRHFSA-N 1 1 337.394 4.258 20 10 EICDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCCC(F)(F)C2)c1 ZINC000813872305 1049828908 /nfs/dbraw/zinc/82/89/08/1049828908.db2.gz BLSJKEIXLOCCSO-QWHCGFSZSA-N 1 1 341.398 4.045 20 10 EICDMO CC[C@H]([NH2+][C@H](C)[C@@H]1OCCc2sccc21)c1ccc(F)cc1O ZINC000813884506 1049831647 /nfs/dbraw/zinc/83/16/47/1049831647.db2.gz IYRKWUSRRSLJGG-PSZVPEGOSA-N 1 1 335.444 4.336 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1cc(F)ncc1F)C1CCCCC1 ZINC000823375226 1049842324 /nfs/dbraw/zinc/84/23/24/1049842324.db2.gz DAIHKVOUFCLPTL-UHFFFAOYSA-N 1 1 332.394 4.400 20 10 EICDMO COc1c(O)c(C[NH2+][C@H](CC(C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000774940765 1050168734 /nfs/dbraw/zinc/16/87/34/1050168734.db2.gz BXYXNICOHLUJCQ-MRXNPFEDSA-N 1 1 344.411 4.186 20 10 EICDMO CC[C@H]([NH2+]Cc1cc(C)cc(Br)c1O)[C@H]1CC1(C)C ZINC001178978216 1050592946 /nfs/dbraw/zinc/59/29/46/1050592946.db2.gz VJACBSHRYCFYAX-OCCSQVGLSA-N 1 1 326.278 4.377 20 10 EICDMO Cc1ccc([C@@H](C)C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC001180429504 1050986760 /nfs/dbraw/zinc/98/67/60/1050986760.db2.gz BOGQKDNCHNBDFC-RXVVDRJESA-N 1 1 339.479 4.485 20 10 EICDMO C[C@@H](C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1)c1nccs1 ZINC000183250813 1051040826 /nfs/dbraw/zinc/04/08/26/1051040826.db2.gz IDOVBNOYXRFTSH-INIZCTEOSA-N 1 1 329.513 4.369 20 10 EICDMO CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(Cl)cc1O ZINC001180962002 1051120930 /nfs/dbraw/zinc/12/09/30/1051120930.db2.gz IZLMMFCSBSVBPM-IBGZPJMESA-N 1 1 333.859 4.209 20 10 EICDMO C[C@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1ccc(N(C)C)cc1 ZINC000775362508 1051129425 /nfs/dbraw/zinc/12/94/25/1051129425.db2.gz HPWBDXUGGMEXNX-AWEZNQCLSA-N 1 1 338.480 4.122 20 10 EICDMO C[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)c1ccc(Br)cc1 ZINC001181266008 1051193640 /nfs/dbraw/zinc/19/36/40/1051193640.db2.gz GSVCARWXBNECBX-SECBINFHSA-N 1 1 342.183 4.284 20 10 EICDMO COC(=O)c1c(C[N@@H+](CC2CCC2)C(C)C)c2cc(F)ccc2n1C ZINC001181284474 1051196377 /nfs/dbraw/zinc/19/63/77/1051196377.db2.gz AWHVUZVMWOSXHH-UHFFFAOYSA-N 1 1 346.446 4.115 20 10 EICDMO CCN(C)c1ccc(C[N@@H+](CCOC)[C@@H](C)c2ccccc2)cc1 ZINC001190635860 1051240457 /nfs/dbraw/zinc/24/04/57/1051240457.db2.gz SDIZSEPVMIAROC-SFHVURJKSA-N 1 1 326.484 4.352 20 10 EICDMO Cc1cc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccc1N(C)C ZINC001190827222 1051286604 /nfs/dbraw/zinc/28/66/04/1051286604.db2.gz NCNFCIXUXJNXJD-NRFANRHFSA-N 1 1 343.559 4.149 20 10 EICDMO Oc1ccccc1C[N@@H+](C[C@H]1COC2(CCCCC2)O1)C1CCCC1 ZINC001190894671 1051301017 /nfs/dbraw/zinc/30/10/17/1051301017.db2.gz GYDZSCCGCSZBLW-IBGZPJMESA-N 1 1 345.483 4.213 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+](C)CCc2ccccc2C)c1 ZINC001182021551 1051384425 /nfs/dbraw/zinc/38/44/25/1051384425.db2.gz XPIBHIZHNQWXTE-UHFFFAOYSA-N 1 1 348.284 4.446 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@@H+](C)CCc2ccccc2C)c1 ZINC001182021551 1051384435 /nfs/dbraw/zinc/38/44/35/1051384435.db2.gz XPIBHIZHNQWXTE-UHFFFAOYSA-N 1 1 348.284 4.446 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CCN(c3cccc(F)c3)C[C@@H]2C)cc1Cl ZINC001182114568 1051393565 /nfs/dbraw/zinc/39/35/65/1051393565.db2.gz AEFATNAFTPIVOI-AWEZNQCLSA-N 1 1 348.849 4.204 20 10 EICDMO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)cc1 ZINC000774134932 1051476710 /nfs/dbraw/zinc/47/67/10/1051476710.db2.gz NTVDPVLUCVZOBV-GTNSWQLSSA-N 1 1 340.250 4.392 20 10 EICDMO Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774183606 1051505170 /nfs/dbraw/zinc/50/51/70/1051505170.db2.gz NHDICFFBOMQVKY-GTNSWQLSSA-N 1 1 340.250 4.392 20 10 EICDMO CCC1(O)CCC([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)CC1 ZINC000774233033 1051510285 /nfs/dbraw/zinc/51/02/85/1051510285.db2.gz NHLSOEJHTMMKIO-SGWRBKMISA-N 1 1 332.271 4.433 20 10 EICDMO C[C@@H]([NH2+]CCCNc1ccccn1)c1cc(Cl)c(Cl)cc1O ZINC000774217219 1051515836 /nfs/dbraw/zinc/51/58/36/1051515836.db2.gz LDOREBFYANTDPA-LLVKDONJSA-N 1 1 340.254 4.247 20 10 EICDMO C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cc(Cl)c(Cl)cc1O ZINC000774270505 1051538669 /nfs/dbraw/zinc/53/86/69/1051538669.db2.gz FFKIWHCSSFWRFZ-WDEREUQCSA-N 1 1 346.254 4.035 20 10 EICDMO CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000775490223 1051583639 /nfs/dbraw/zinc/58/36/39/1051583639.db2.gz AIRBYUJCEYQYKC-IUODEOHRSA-N 1 1 345.314 4.472 20 10 EICDMO CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775492877 1051591850 /nfs/dbraw/zinc/59/18/50/1051591850.db2.gz PVGLXMVKKJLWHF-AWEZNQCLSA-N 1 1 342.270 4.335 20 10 EICDMO Cc1cc([C@@H]2CC[N@H+](Cc3cccc(F)c3O)C2)c(O)cc1Cl ZINC001183026103 1051774396 /nfs/dbraw/zinc/77/43/96/1051774396.db2.gz WXOHLSIEQLOECC-GFCCVEGCSA-N 1 1 335.806 4.188 20 10 EICDMO Cc1cc([C@@H]2CC[N@@H+](Cc3cccc(F)c3O)C2)c(O)cc1Cl ZINC001183026103 1051774408 /nfs/dbraw/zinc/77/44/08/1051774408.db2.gz WXOHLSIEQLOECC-GFCCVEGCSA-N 1 1 335.806 4.188 20 10 EICDMO Cc1cc(C[N@@H+]2CC[C@@H](C)C(F)(F)CC2)c(O)cc1Br ZINC001250120300 1051876279 /nfs/dbraw/zinc/87/62/79/1051876279.db2.gz AWHNQFKGENWYLF-LLVKDONJSA-N 1 1 348.231 4.330 20 10 EICDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC001183798522 1051901782 /nfs/dbraw/zinc/90/17/82/1051901782.db2.gz FPCNPAUOPDCJRG-QGZUEGPWSA-N 1 1 342.380 4.132 20 10 EICDMO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001193448962 1051921026 /nfs/dbraw/zinc/92/10/26/1051921026.db2.gz YPRLFTHAQGYFFU-MGPUTAFESA-N 1 1 344.886 4.368 20 10 EICDMO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001193448962 1051921038 /nfs/dbraw/zinc/92/10/38/1051921038.db2.gz YPRLFTHAQGYFFU-MGPUTAFESA-N 1 1 344.886 4.368 20 10 EICDMO Oc1cccc2c1[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)N3Cc1ccccc1)CC2 ZINC000297933865 1052106928 /nfs/dbraw/zinc/10/69/28/1052106928.db2.gz XUIMLBSYNRNHPM-OTYNDTSQSA-N 1 1 348.490 4.165 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2[C@H](C)CO[C@H](c3ccccc3)[C@@H]2C)cc1 ZINC001176532857 1052114819 /nfs/dbraw/zinc/11/48/19/1052114819.db2.gz NPBBFYMPWUTBNM-FGSXEWAUSA-N 1 1 338.495 4.493 20 10 EICDMO C[C@@H]([NH2+]Cc1cccc(Br)c1O)c1cc2cnccc2o1 ZINC001205667779 1052165237 /nfs/dbraw/zinc/16/52/37/1052165237.db2.gz PHEPLLTWFGXYHK-SNVBAGLBSA-N 1 1 347.212 4.147 20 10 EICDMO CC[C@H](C)[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774818256 1052167106 /nfs/dbraw/zinc/16/71/06/1052167106.db2.gz DCAZGGZCCTXSPD-AWEZNQCLSA-N 1 1 344.411 4.110 20 10 EICDMO CC[C@H](C)[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774818256 1052167116 /nfs/dbraw/zinc/16/71/16/1052167116.db2.gz DCAZGGZCCTXSPD-AWEZNQCLSA-N 1 1 344.411 4.110 20 10 EICDMO Cc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000774820659 1052171250 /nfs/dbraw/zinc/17/12/50/1052171250.db2.gz DPMRZGMLPDZNFC-UHFFFAOYSA-N 1 1 344.886 4.117 20 10 EICDMO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1ccc(F)cc1O ZINC000184835810 1052246969 /nfs/dbraw/zinc/24/69/69/1052246969.db2.gz OKKGSMMGGXKLOJ-CJNGLKHVSA-N 1 1 334.460 4.081 20 10 EICDMO C[C@@H]([NH2+]C[C@@H](O)c1cc2ccccc2s1)c1ccc(F)cc1O ZINC000185720737 1052685866 /nfs/dbraw/zinc/68/58/66/1052685866.db2.gz GFCLKIXKVPINPX-BDJLRTHQSA-N 1 1 331.412 4.130 20 10 EICDMO Cc1csc(C2([NH2+]Cc3cc(C(C)(C)C)cc(O)c3O)CCC2)n1 ZINC000764112683 1053030724 /nfs/dbraw/zinc/03/07/24/1053030724.db2.gz JTNLGNINSFICDV-UHFFFAOYSA-N 1 1 346.496 4.329 20 10 EICDMO CC(C)[C@@H](O)[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccccc1 ZINC000850395442 1053162161 /nfs/dbraw/zinc/16/21/61/1053162161.db2.gz SHEFINXWIGCDKL-QZTJIDSGSA-N 1 1 337.822 4.033 20 10 EICDMO COc1ccc(C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)cc1C ZINC000850402813 1053168789 /nfs/dbraw/zinc/16/87/89/1053168789.db2.gz XSBXHPQYCQRKCN-HNNXBMFYSA-N 1 1 340.250 4.134 20 10 EICDMO CCc1ccc(C[NH2+]Cc2cccc(Br)c2O)s1 ZINC000101592428 1053234988 /nfs/dbraw/zinc/23/49/88/1053234988.db2.gz WZEDULAZGANMRB-UHFFFAOYSA-N 1 1 326.259 4.068 20 10 EICDMO CCCN1CCC([NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000764637529 1053242443 /nfs/dbraw/zinc/24/24/43/1053242443.db2.gz FPRDATWMVIHPIJ-QGZVFWFLSA-N 1 1 347.522 4.341 20 10 EICDMO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1ccc(N2CCCCCC2)cc1 ZINC000850499422 1053261236 /nfs/dbraw/zinc/26/12/36/1053261236.db2.gz PFVSEIWAZKGTDK-JTDSTZFVSA-N 1 1 339.487 4.015 20 10 EICDMO C[C@@H](NCCC[NH+]1CCCC1)c1ccc(N2CCCCCC2)cc1 ZINC000764667091 1053261400 /nfs/dbraw/zinc/26/14/00/1053261400.db2.gz OWWKPIAKFXXLEO-LJQANCHMSA-N 1 1 329.532 4.204 20 10 EICDMO COc1ccc(O)c(C[N@@H+](Cc2ccccc2O)C2CCCCC2)c1 ZINC000775636993 1053269368 /nfs/dbraw/zinc/26/93/68/1053269368.db2.gz KJELUBYQNRODGR-UHFFFAOYSA-N 1 1 341.451 4.441 20 10 EICDMO CC[C@H]([NH2+][C@@H](c1ccccc1)[C@H](O)C(C)C)c1ccc(F)cc1O ZINC000850554438 1053309198 /nfs/dbraw/zinc/30/91/98/1053309198.db2.gz JPIDWIDILVZQSC-YSIASYRMSA-N 1 1 331.431 4.330 20 10 EICDMO C[C@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1ccc(F)cc1O ZINC000850569979 1053325458 /nfs/dbraw/zinc/32/54/58/1053325458.db2.gz OZOXPDGBLPTPMH-VIFPVBQESA-N 1 1 329.293 4.123 20 10 EICDMO C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)c1ccccc1 ZINC000850584624 1053334017 /nfs/dbraw/zinc/33/40/17/1053334017.db2.gz RXOJDSPQTXLAEW-OZVIIMIRSA-N 1 1 339.357 4.184 20 10 EICDMO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N2CCCCCC2)cc1 ZINC000764967896 1053402745 /nfs/dbraw/zinc/40/27/45/1053402745.db2.gz YXCRQTJVCARWFX-BWAGFHJFSA-N 1 1 341.543 4.344 20 10 EICDMO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc(N2CCCCCC2)cc1 ZINC000764967896 1053402755 /nfs/dbraw/zinc/40/27/55/1053402755.db2.gz YXCRQTJVCARWFX-BWAGFHJFSA-N 1 1 341.543 4.344 20 10 EICDMO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC000775665173 1053443713 /nfs/dbraw/zinc/44/37/13/1053443713.db2.gz ZQMMMJVXZFRXDK-HZPDHXFCSA-N 1 1 336.907 4.132 20 10 EICDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC000775665173 1053443719 /nfs/dbraw/zinc/44/37/19/1053443719.db2.gz ZQMMMJVXZFRXDK-HZPDHXFCSA-N 1 1 336.907 4.132 20 10 EICDMO C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000775665173 1053443723 /nfs/dbraw/zinc/44/37/23/1053443723.db2.gz ZQMMMJVXZFRXDK-HZPDHXFCSA-N 1 1 336.907 4.132 20 10 EICDMO C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000775665173 1053443727 /nfs/dbraw/zinc/44/37/27/1053443727.db2.gz ZQMMMJVXZFRXDK-HZPDHXFCSA-N 1 1 336.907 4.132 20 10 EICDMO COc1ccc(N(C)CC[N@@H+](C)[C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC001195787716 1053485807 /nfs/dbraw/zinc/48/58/07/1053485807.db2.gz CHVPDARHBQHUIW-HXUWFJFHSA-N 1 1 344.886 4.404 20 10 EICDMO Cc1ccnc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1Br ZINC000865531723 1053538419 /nfs/dbraw/zinc/53/84/19/1053538419.db2.gz MHTJDSHFJDFHRJ-ZDUSSCGKSA-N 1 1 348.288 4.069 20 10 EICDMO Cc1ncc([C@@H](C)[NH2+]Cc2cc(C)cc(Br)c2O)s1 ZINC000865703331 1053576045 /nfs/dbraw/zinc/57/60/45/1053576045.db2.gz XCZJOIWEZCTRFZ-SECBINFHSA-N 1 1 341.274 4.079 20 10 EICDMO C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1cc2cnccc2o1 ZINC000865850824 1053607549 /nfs/dbraw/zinc/60/75/49/1053607549.db2.gz AKUPLTGLPMGAJS-LLVKDONJSA-N 1 1 331.366 4.023 20 10 EICDMO COc1cc(O)c(C[N@@H+](C)[C@@H](C)Cc2ccc(Cl)cc2)cc1OC ZINC000775704348 1053618020 /nfs/dbraw/zinc/61/80/20/1053618020.db2.gz BEZOSABCULWCMX-ZDUSSCGKSA-N 1 1 349.858 4.126 20 10 EICDMO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(CN(C)C)c2)cc1 ZINC000120855751 1053629889 /nfs/dbraw/zinc/62/98/89/1053629889.db2.gz PCIQWSARXZDSIU-MRXNPFEDSA-N 1 1 343.490 4.194 20 10 EICDMO CSCC[C@@H](C)[N@@H+](C)Cc1cc(Br)cc(C)c1O ZINC000775713827 1053659958 /nfs/dbraw/zinc/65/99/58/1053659958.db2.gz JPGCNEQPTFUWRK-LLVKDONJSA-N 1 1 332.307 4.037 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1ccco1)Cc1ccc2c(c1)CCO2 ZINC000111232754 1053664531 /nfs/dbraw/zinc/66/45/31/1053664531.db2.gz XAUTYPNXBFCEAC-UHFFFAOYSA-N 1 1 335.403 4.123 20 10 EICDMO C[N@H+](Cc1csc(Nc2ccccc2)n1)Cc1ccccc1O ZINC000111236220 1053666288 /nfs/dbraw/zinc/66/62/88/1053666288.db2.gz WYDNAHDBQFYLJJ-UHFFFAOYSA-N 1 1 325.437 4.224 20 10 EICDMO C[N@@H+](Cc1csc(Nc2ccccc2)n1)Cc1ccccc1O ZINC000111236220 1053666294 /nfs/dbraw/zinc/66/62/94/1053666294.db2.gz WYDNAHDBQFYLJJ-UHFFFAOYSA-N 1 1 325.437 4.224 20 10 EICDMO CC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1cccc(OC)c1OC ZINC000866508444 1053759383 /nfs/dbraw/zinc/75/93/83/1053759383.db2.gz NNNBZLZMKSNMGJ-MLGOLLRUSA-N 1 1 333.403 4.350 20 10 EICDMO C[C@@]1(C2CCCCC2)CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001197238961 1053859227 /nfs/dbraw/zinc/85/92/27/1053859227.db2.gz KWTFOOTZBAWMGW-NRFANRHFSA-N 1 1 328.500 4.068 20 10 EICDMO COc1cc2c(cc1F)C[N@@H+](Cc1c(O)ccc3ccccc31)CC2 ZINC000776779625 1053873478 /nfs/dbraw/zinc/87/34/78/1053873478.db2.gz GSXNXPRWKZNORO-UHFFFAOYSA-N 1 1 337.394 4.251 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1O ZINC000775833191 1054108421 /nfs/dbraw/zinc/10/84/21/1054108421.db2.gz HUXPMTDCJXKXOZ-LBPRGKRZSA-N 1 1 346.858 4.165 20 10 EICDMO C[C@H]([NH2+]Cc1csc(-c2ccoc2)n1)c1ccc(N(C)C)cc1 ZINC000775834374 1054120025 /nfs/dbraw/zinc/12/00/25/1054120025.db2.gz NDKZXGPMYRNKEP-ZDUSSCGKSA-N 1 1 327.453 4.320 20 10 EICDMO CCC(CC)[C@@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)N1CCCC1 ZINC001199144940 1054351558 /nfs/dbraw/zinc/35/15/58/1054351558.db2.gz ZQLSKGYJFKZGAC-DGSRBQDKSA-N 1 1 343.559 4.256 20 10 EICDMO C[C@@H]1C[C@H](C)C[N@@H+](CCCNCc2ccc(N3CCCCC3)cc2)C1 ZINC001199329189 1054392519 /nfs/dbraw/zinc/39/25/19/1054392519.db2.gz PIDLSDGQBVUVHR-BGYRXZFFSA-N 1 1 343.559 4.135 20 10 EICDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNCc2ccc(N3CCCCC3)cc2)C1 ZINC001199329189 1054392530 /nfs/dbraw/zinc/39/25/30/1054392530.db2.gz PIDLSDGQBVUVHR-BGYRXZFFSA-N 1 1 343.559 4.135 20 10 EICDMO CCC[N@@H+](Cc1ccc(OCC)cc1O)[C@@H]1CCCc2cccnc21 ZINC000775995559 1054435663 /nfs/dbraw/zinc/43/56/63/1054435663.db2.gz NQQCOFGJBAEURD-LJQANCHMSA-N 1 1 340.467 4.476 20 10 EICDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000776013844 1054443247 /nfs/dbraw/zinc/44/32/47/1054443247.db2.gz JEIYHHNXNUPCRC-LJQANCHMSA-N 1 1 329.827 4.067 20 10 EICDMO Cc1nccn1CC[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000776010181 1054444066 /nfs/dbraw/zinc/44/40/66/1054444066.db2.gz NAJQZHRKOREDBX-KRWDZBQOSA-N 1 1 335.451 4.161 20 10 EICDMO C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000858490687 1054498678 /nfs/dbraw/zinc/49/86/78/1054498678.db2.gz LVGFHFKAJHLFLV-NWDGAFQWSA-N 1 1 331.287 4.082 20 10 EICDMO C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc(C(F)(F)F)nc1 ZINC000873185418 1054504335 /nfs/dbraw/zinc/50/43/35/1054504335.db2.gz KBKZAWHMOSODAG-QMMMGPOBSA-N 1 1 348.727 4.449 20 10 EICDMO Cc1cc(C[NH2+][C@H](C)c2cc3n(n2)CCC3)c(C)n1-c1cccc(C)c1 ZINC000858541517 1054511743 /nfs/dbraw/zinc/51/17/43/1054511743.db2.gz AXGKTQCWOGAECK-QGZVFWFLSA-N 1 1 348.494 4.396 20 10 EICDMO C[C@@H]([NH2+]Cc1ccccc1CC(F)(F)F)c1ccc(F)cc1O ZINC000858590629 1054528483 /nfs/dbraw/zinc/52/84/83/1054528483.db2.gz BPIHGWLNNXRXDQ-LLVKDONJSA-N 1 1 327.321 4.487 20 10 EICDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(C)ccc2O)cc1OC ZINC000124674059 1054591568 /nfs/dbraw/zinc/59/15/68/1054591568.db2.gz GLDFWLWBLVVTKE-QGZVFWFLSA-N 1 1 327.424 4.055 20 10 EICDMO COC(=O)CCCC[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000859219219 1054645275 /nfs/dbraw/zinc/64/52/75/1054645275.db2.gz SBHZMDKHBGHMHL-QGZVFWFLSA-N 1 1 341.451 4.299 20 10 EICDMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000126032546 1054932515 /nfs/dbraw/zinc/93/25/15/1054932515.db2.gz KSBYVGNHPHGHGE-GFCCVEGCSA-N 1 1 325.364 4.060 20 10 EICDMO COc1ccc(O)c(C[N@@H+](CCc2ccccc2)Cc2ccncc2)c1 ZINC000013990090 1055032460 /nfs/dbraw/zinc/03/24/60/1055032460.db2.gz AQDIAIUQFQJRAI-UHFFFAOYSA-N 1 1 348.446 4.041 20 10 EICDMO Cc1ncc(C[NH2+]Cc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)o1 ZINC000862354424 1055053453 /nfs/dbraw/zinc/05/34/53/1055053453.db2.gz VXSJKRRLGVOWCF-CYBMUJFWSA-N 1 1 333.863 4.163 20 10 EICDMO Cc1ccc(C[NH2+][C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c(O)c1 ZINC000877471858 1055057720 /nfs/dbraw/zinc/05/77/20/1055057720.db2.gz CFRQHSLKXMSMGD-ZDUSSCGKSA-N 1 1 341.386 4.049 20 10 EICDMO CCCC[N@@H+](Cc1cc2c(cc[nH]c2=O)o1)Cc1ccccc1O ZINC000877503070 1055066130 /nfs/dbraw/zinc/06/61/30/1055066130.db2.gz ADWYPVBUGKKKEU-UHFFFAOYSA-N 1 1 326.396 4.041 20 10 EICDMO COc1cc(CNc2[nH]c3ccccc3[nH+]2)c(O)c(C(C)(C)C)c1 ZINC001202328857 1055142923 /nfs/dbraw/zinc/14/29/23/1055142923.db2.gz NDWDESCVDNMVLG-UHFFFAOYSA-N 1 1 325.412 4.187 20 10 EICDMO CC[N@H+](Cc1nc2c(s1)CCCC2)Cc1ccc(N(C)C)cc1 ZINC000776280165 1055154864 /nfs/dbraw/zinc/15/48/64/1055154864.db2.gz BRSFBLIJEVUUSI-UHFFFAOYSA-N 1 1 329.513 4.110 20 10 EICDMO CC[N@@H+](Cc1nc2c(s1)CCCC2)Cc1ccc(N(C)C)cc1 ZINC000776280165 1055154869 /nfs/dbraw/zinc/15/48/69/1055154869.db2.gz BRSFBLIJEVUUSI-UHFFFAOYSA-N 1 1 329.513 4.110 20 10 EICDMO C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000776295936 1055180171 /nfs/dbraw/zinc/18/01/71/1055180171.db2.gz VIPSNQMINQTMMG-OAHLLOKOSA-N 1 1 337.427 4.175 20 10 EICDMO CCCN(CCC)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC000742380997 1058580936 /nfs/dbraw/zinc/58/09/36/1058580936.db2.gz UUARGSFIUXDCMV-XDNSSPFJSA-N 1 1 343.559 4.418 20 10 EICDMO CC[N@@H+](Cc1cccc(F)c1)Cc1cc(Br)ccc1O ZINC000743870803 1059188384 /nfs/dbraw/zinc/18/83/84/1059188384.db2.gz BOMQZXFSOXYUGB-UHFFFAOYSA-N 1 1 338.220 4.316 20 10 EICDMO Cc1cc(C[N@H+]2C[C@H](C)O[C@H](C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000744445040 1059505901 /nfs/dbraw/zinc/50/59/01/1059505901.db2.gz SISKXPILLOWNAO-WFASDCNBSA-N 1 1 345.405 4.150 20 10 EICDMO Cc1cc(C[N@@H+]2C[C@H](C)O[C@H](C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000744445040 1059505947 /nfs/dbraw/zinc/50/59/47/1059505947.db2.gz SISKXPILLOWNAO-WFASDCNBSA-N 1 1 345.405 4.150 20 10 EICDMO C[C@H](CC[NH2+][C@@H](C)c1cc(F)ccc1O)N(C)Cc1ccccc1 ZINC000379643758 1059710416 /nfs/dbraw/zinc/71/04/16/1059710416.db2.gz GBOBYXFWNHERPV-CVEARBPZSA-N 1 1 330.447 4.093 20 10 EICDMO Cc1cc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000746382964 1060263970 /nfs/dbraw/zinc/26/39/70/1060263970.db2.gz QELJXBZNGHAELT-SFHVURJKSA-N 1 1 344.543 4.162 20 10 EICDMO Cc1cc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000746382964 1060263997 /nfs/dbraw/zinc/26/39/97/1060263997.db2.gz QELJXBZNGHAELT-SFHVURJKSA-N 1 1 344.543 4.162 20 10 EICDMO C[C@@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1ccc(Cl)cc1O ZINC000841757669 1032514724 /nfs/dbraw/zinc/51/47/24/1032514724.db2.gz OQXHFTYXMUYHJM-DGCLKSJQSA-N 1 1 340.250 4.126 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@H](C)c2ccccc2)c1O ZINC001167313589 1021054844 /nfs/dbraw/zinc/05/48/44/1021054844.db2.gz HHLBBMWIOHEKIE-ZDUSSCGKSA-N 1 1 331.843 4.484 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)C[C@H](C)c2ccccc2)c1O ZINC001167313589 1021054848 /nfs/dbraw/zinc/05/48/48/1021054848.db2.gz HHLBBMWIOHEKIE-ZDUSSCGKSA-N 1 1 331.843 4.484 20 10 EICDMO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccn(-c3ccccc3)n2)cc1 ZINC000163170394 1022815006 /nfs/dbraw/zinc/81/50/06/1022815006.db2.gz GFHKSSKHXOWGBX-KRWDZBQOSA-N 1 1 334.467 4.179 20 10 EICDMO CC[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1OC)c1ccc(F)cc1O ZINC000796674542 1022867737 /nfs/dbraw/zinc/86/77/37/1022867737.db2.gz HFGGIVHLQORLEY-YVEFUNNKSA-N 1 1 333.403 4.350 20 10 EICDMO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000310901388 1023465870 /nfs/dbraw/zinc/46/58/70/1023465870.db2.gz MVAMSXCFCWQUQB-ICSRJNTNSA-N 1 1 338.495 4.263 20 10 EICDMO CC[C@H]([NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1)c1ccccc1O ZINC000310942363 1023481947 /nfs/dbraw/zinc/48/19/47/1023481947.db2.gz WOHGNINCJZPJFJ-UNMCSNQZSA-N 1 1 338.495 4.345 20 10 EICDMO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(N2CCCCC2)cc1 ZINC000178257145 1023875719 /nfs/dbraw/zinc/87/57/19/1023875719.db2.gz XYPMGKIULBJQKA-GOSISDBHSA-N 1 1 341.543 4.202 20 10 EICDMO C[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(N2CCCCC2)cc1 ZINC000178257145 1023875722 /nfs/dbraw/zinc/87/57/22/1023875722.db2.gz XYPMGKIULBJQKA-GOSISDBHSA-N 1 1 341.543 4.202 20 10 EICDMO CCOc1cccc(C[N@H+]2CCC[C@H]2CC(=O)c2ccccc2)c1O ZINC000093667857 1024715629 /nfs/dbraw/zinc/71/56/29/1024715629.db2.gz RYTKNVUWRYUGDH-SFHVURJKSA-N 1 1 339.435 4.028 20 10 EICDMO COc1ccc(N2CCC[N@H+]([C@@H](C)c3cc(F)ccc3F)CC2)cc1 ZINC000108409824 1026264012 /nfs/dbraw/zinc/26/40/12/1026264012.db2.gz PHYIWGQFLJHUFQ-HNNXBMFYSA-N 1 1 346.421 4.247 20 10 EICDMO Cc1cccc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[nH+]1 ZINC000302234226 1027277008 /nfs/dbraw/zinc/27/70/08/1027277008.db2.gz GMKNYOMLTWDMQH-CQSZACIVSA-N 1 1 333.382 4.072 20 10 EICDMO CC[C@@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1ccc(F)cc1O ZINC000796664380 1028754199 /nfs/dbraw/zinc/75/41/99/1028754199.db2.gz WIFIWCKSIPJXAS-IAGOWNOFSA-N 1 1 348.487 4.471 20 10 EICDMO CCC[N@@H+](Cc1nc2c(cccc2F)n1CC)Cc1ccccc1O ZINC000728570084 1028854161 /nfs/dbraw/zinc/85/41/61/1028854161.db2.gz WGMZVEQUTVUNDJ-UHFFFAOYSA-N 1 1 341.430 4.313 20 10 EICDMO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)c1 ZINC000278682081 1029685711 /nfs/dbraw/zinc/68/57/11/1029685711.db2.gz IBTQLYIMSVHOHH-VIFPVBQESA-N 1 1 346.374 4.117 20 10 EICDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000184811943 1030094931 /nfs/dbraw/zinc/09/49/31/1030094931.db2.gz GJGGTWXUDHXPNQ-JOCHJYFZSA-N 1 1 331.415 4.177 20 10 EICDMO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)cc1F ZINC000185134764 1030115560 /nfs/dbraw/zinc/11/55/60/1030115560.db2.gz KCTQLMOUVZTXCD-LBPRGKRZSA-N 1 1 343.377 4.015 20 10 EICDMO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000185675611 1030210466 /nfs/dbraw/zinc/21/04/66/1030210466.db2.gz RDEWMZHONOBWQK-KGLIPLIRSA-N 1 1 339.414 4.437 20 10 EICDMO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1cc(Cl)ccc1O ZINC000186105096 1030247473 /nfs/dbraw/zinc/24/74/73/1030247473.db2.gz IMAXGGIUDJSEHZ-LLVKDONJSA-N 1 1 345.855 4.415 20 10 EICDMO CC[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccc(F)cc1O ZINC000796665054 1031089477 /nfs/dbraw/zinc/08/94/77/1031089477.db2.gz CUZQKYZKSSJNQH-MSOLQXFVSA-N 1 1 346.446 4.392 20 10 EICDMO CCCCCn1cc(C[NH2+][C@H](CC)c2ccc(F)cc2O)c(C)n1 ZINC000796852552 1031120617 /nfs/dbraw/zinc/12/06/17/1031120617.db2.gz IVJPGASHCVXDBY-GOSISDBHSA-N 1 1 333.451 4.467 20 10 EICDMO C[C@H](c1ccccc1)[N@H+](Cc1ccccc1O)C[C@H]1CCO[C@H]1C ZINC001168243462 1031426974 /nfs/dbraw/zinc/42/69/74/1031426974.db2.gz DZVUYNSMNUHCGL-ZIFCJYIRSA-N 1 1 325.452 4.380 20 10 EICDMO CC[C@@H]([NH2+][C@H]1CCOc2cc(OC)ccc21)c1ccc(F)cc1O ZINC000375896908 1031462603 /nfs/dbraw/zinc/46/26/03/1031462603.db2.gz BHJVMYPGPZDFBQ-SJORKVTESA-N 1 1 331.387 4.104 20 10 EICDMO CC[C@@H]([NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1)c1ccccc1O ZINC000310942359 1031945621 /nfs/dbraw/zinc/94/56/21/1031945621.db2.gz WOHGNINCJZPJFJ-IRLDBZIGSA-N 1 1 338.495 4.345 20 10 EICDMO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc(N(CC)CC)c(F)c2)o1 ZINC000236936300 1033488728 /nfs/dbraw/zinc/48/87/28/1033488728.db2.gz ROUMDDMZSULSDD-GOSISDBHSA-N 1 1 348.462 4.305 20 10 EICDMO CC[C@@H](CC(F)(F)F)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000760653549 1035859543 /nfs/dbraw/zinc/85/95/43/1035859543.db2.gz TVNHNZUCENQUFL-JTQLQIEISA-N 1 1 340.183 4.284 20 10 EICDMO COc1cc(Cl)cc(C[N@H+](Cc2ccccc2OC)C2CC2)c1O ZINC000761191053 1035999346 /nfs/dbraw/zinc/99/93/46/1035999346.db2.gz JBZYALDZZPZXNY-UHFFFAOYSA-N 1 1 347.842 4.227 20 10 EICDMO COc1cc(Cl)cc(C[N@@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)c1O ZINC000761193447 1036003559 /nfs/dbraw/zinc/00/35/59/1036003559.db2.gz DOOVHAATNDVFBP-SCLBCKFNSA-N 1 1 347.842 4.016 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)c1O ZINC000761193447 1036003581 /nfs/dbraw/zinc/00/35/81/1036003581.db2.gz DOOVHAATNDVFBP-SCLBCKFNSA-N 1 1 347.842 4.016 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)c1O ZINC000761195221 1036020087 /nfs/dbraw/zinc/02/00/87/1036020087.db2.gz JXQGXEAKYGRKBF-INIZCTEOSA-N 1 1 333.815 4.097 20 10 EICDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc(OC)c2O)C1 ZINC000761207051 1036051123 /nfs/dbraw/zinc/05/11/23/1036051123.db2.gz XIUFBHNRKACHFN-KBPBESRZSA-N 1 1 329.893 4.160 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)c1O ZINC000761217455 1036171576 /nfs/dbraw/zinc/17/15/76/1036171576.db2.gz VMHIRYSYGIBKGJ-KOLCDFICSA-N 1 1 337.769 4.217 20 10 EICDMO Cc1cc(O)c(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1C ZINC000027532848 1036935679 /nfs/dbraw/zinc/93/56/79/1036935679.db2.gz XUCLQELPZSREHC-UHFFFAOYSA-N 1 1 334.803 4.203 20 10 EICDMO Cc1cc(O)c(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1C ZINC000027532848 1036935695 /nfs/dbraw/zinc/93/56/95/1036935695.db2.gz XUCLQELPZSREHC-UHFFFAOYSA-N 1 1 334.803 4.203 20 10 EICDMO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1O ZINC000273438767 1037464003 /nfs/dbraw/zinc/46/40/03/1037464003.db2.gz MMDMVFSDNGYPSB-UVIMBBFXSA-N 1 1 333.378 4.241 20 10 EICDMO C[N@@H+](Cc1cc(F)ccc1O)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273508961 1037491094 /nfs/dbraw/zinc/49/10/94/1037491094.db2.gz QLLPUEWSQUHFFS-HKUYNNGSSA-N 1 1 333.378 4.023 20 10 EICDMO Cc1cc(O)c(C[N@@H+](C)Cc2cc(Br)cs2)cc1C ZINC000048621229 1042720488 /nfs/dbraw/zinc/72/04/88/1042720488.db2.gz XLYUDSFBFVJNMJ-UHFFFAOYSA-N 1 1 340.286 4.465 20 10 EICDMO CC[C@@](C)([NH2+]Cc1cccc(Br)c1O)c1nccs1 ZINC000152611120 1042921422 /nfs/dbraw/zinc/92/14/22/1042921422.db2.gz ULMWMCFEZALUOE-CQSZACIVSA-N 1 1 341.274 4.026 20 10 EICDMO CC(C)(C)c1cccc(C[N@@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c1O ZINC001143103528 1043378166 /nfs/dbraw/zinc/37/81/66/1043378166.db2.gz FHQUTTVSQKRUCH-ROUUACIJSA-N 1 1 335.447 4.102 20 10 EICDMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000729984964 1043426033 /nfs/dbraw/zinc/42/60/33/1043426033.db2.gz CKXHYQYOHWZPSG-GOSISDBHSA-N 1 1 332.447 4.395 20 10 EICDMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000729984965 1043426536 /nfs/dbraw/zinc/42/65/36/1043426536.db2.gz CKXHYQYOHWZPSG-SFHVURJKSA-N 1 1 332.447 4.395 20 10 EICDMO C[C@@H]1CCC[C@@H](C)[NH+]1CCNCc1ccc(N2CCCCC2)cc1 ZINC000730818370 1043630630 /nfs/dbraw/zinc/63/06/30/1043630630.db2.gz QOUMWWVSWCCLLN-RTBURBONSA-N 1 1 329.532 4.029 20 10 EICDMO CC[C@H]1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C[C@H](C)O1 ZINC000732184031 1043881866 /nfs/dbraw/zinc/88/18/66/1043881866.db2.gz DLXOFCQFJJDIPX-KBPBESRZSA-N 1 1 329.440 4.017 20 10 EICDMO Cc1cccc2nc(C[N@@H+](Cc3ccccc3O)C3CCCC3)cn21 ZINC000732204213 1043887422 /nfs/dbraw/zinc/88/74/22/1043887422.db2.gz FVYSQKAKTXTELW-UHFFFAOYSA-N 1 1 335.451 4.293 20 10 EICDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(C)c(C)cc2O)c(OC)c1 ZINC000732486171 1043928395 /nfs/dbraw/zinc/92/83/95/1043928395.db2.gz YRVYXPOFCYMYNC-LJQANCHMSA-N 1 1 341.451 4.363 20 10 EICDMO CC[C@@H]1CCCC[N@@H+]1CCNCc1ccc(N2CCCCC2)cc1 ZINC000733329933 1044195224 /nfs/dbraw/zinc/19/52/24/1044195224.db2.gz GTCYJYYPCQWZNL-HXUWFJFHSA-N 1 1 329.532 4.031 20 10 EICDMO CC[C@@H]1CCCC[N@H+]1CCNCc1ccc(N2CCCCC2)cc1 ZINC000733329933 1044195242 /nfs/dbraw/zinc/19/52/42/1044195242.db2.gz GTCYJYYPCQWZNL-HXUWFJFHSA-N 1 1 329.532 4.031 20 10 EICDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000766114282 1044209641 /nfs/dbraw/zinc/20/96/41/1044209641.db2.gz CDFAMVQVIYYAMA-NSHDSACASA-N 1 1 331.378 4.170 20 10 EICDMO CCOC[C@H]1CCC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000733787560 1044311127 /nfs/dbraw/zinc/31/11/27/1044311127.db2.gz LPSUGDWXSIJHDK-HNNXBMFYSA-N 1 1 343.467 4.266 20 10 EICDMO COC1CCC([N@H+](C)Cc2c3c(ccc2O)oc2c3CCCC2)CC1 ZINC000734475362 1044584325 /nfs/dbraw/zinc/58/43/25/1044584325.db2.gz QEQYEUBQYARXRP-UHFFFAOYSA-N 1 1 343.467 4.407 20 10 EICDMO COC1CCC([N@@H+](C)Cc2c3c(ccc2O)oc2c3CCCC2)CC1 ZINC000734475362 1044584339 /nfs/dbraw/zinc/58/43/39/1044584339.db2.gz QEQYEUBQYARXRP-UHFFFAOYSA-N 1 1 343.467 4.407 20 10 EICDMO CCN(CC)c1ccc(C[NH2+]Cc2occc2Br)cc1 ZINC000735324751 1044793780 /nfs/dbraw/zinc/79/37/80/1044793780.db2.gz VSLULUNRUDRYOK-UHFFFAOYSA-N 1 1 337.261 4.178 20 10 EICDMO C[N@H+](CCc1ccc(C(F)(F)F)cc1)Cc1c(O)cccc1F ZINC001137841544 1044839721 /nfs/dbraw/zinc/83/97/21/1044839721.db2.gz JEHJGCVESIZQRT-UHFFFAOYSA-N 1 1 327.321 4.225 20 10 EICDMO C[N@@H+](CCc1ccc(C(F)(F)F)cc1)Cc1c(O)cccc1F ZINC001137841544 1044839727 /nfs/dbraw/zinc/83/97/27/1044839727.db2.gz JEHJGCVESIZQRT-UHFFFAOYSA-N 1 1 327.321 4.225 20 10 EICDMO Cc1cc(O)c(CN2CCC[N@H+](C3CCCC3)CC2)cc1C(C)C ZINC000738270060 1045046839 /nfs/dbraw/zinc/04/68/39/1045046839.db2.gz PAXLMWIGPTZXJF-UHFFFAOYSA-N 1 1 330.516 4.274 20 10 EICDMO Cc1cccc([C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)c2ccccn2)c1 ZINC000153571526 1045287145 /nfs/dbraw/zinc/28/71/45/1045287145.db2.gz DKPAVGMAAMOECX-QFIPXVFZSA-N 1 1 349.453 4.474 20 10 EICDMO Cc1cccc([C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)c2ccccn2)c1 ZINC000153571640 1045289252 /nfs/dbraw/zinc/28/92/52/1045289252.db2.gz DKPAVGMAAMOECX-JOCHJYFZSA-N 1 1 349.453 4.474 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)Cc2csc(Br)c2)cc1 ZINC000915678115 1045446036 /nfs/dbraw/zinc/44/60/36/1045446036.db2.gz HOYIKSBBLYJFPZ-UHFFFAOYSA-N 1 1 339.302 4.209 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000790966535 1045639617 /nfs/dbraw/zinc/63/96/17/1045639617.db2.gz AFGZNIUJPMPBET-UHFFFAOYSA-N 1 1 336.769 4.137 20 10 EICDMO CCC(CC)[C@@H]1C[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000790991584 1045645629 /nfs/dbraw/zinc/64/56/29/1045645629.db2.gz XWCQMNJLZDLHFS-LRDDRELGSA-N 1 1 329.843 4.258 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1ccnc2ccccc12)C[C@H]1CCCO1 ZINC000768160912 1045729254 /nfs/dbraw/zinc/72/92/54/1045729254.db2.gz CAMGMGOQKVOZGZ-LJQANCHMSA-N 1 1 348.446 4.122 20 10 EICDMO Oc1ccccc1C[N@@H+](C[C@H]1C[C@@H]1c1ccccc1)C[C@@H]1CCCO1 ZINC000768162530 1045730506 /nfs/dbraw/zinc/73/05/06/1045730506.db2.gz NXEMXSXSBBPKFP-QHAWAJNXSA-N 1 1 337.463 4.177 20 10 EICDMO Oc1ccccc1C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)C[C@@H]1CCCO1 ZINC000768162527 1045731445 /nfs/dbraw/zinc/73/14/45/1045731445.db2.gz NXEMXSXSBBPKFP-ACRUOGEOSA-N 1 1 337.463 4.177 20 10 EICDMO Cc1ccc(F)c(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000768162549 1045731697 /nfs/dbraw/zinc/73/16/97/1045731697.db2.gz PKQUQNOYIVVPML-GOSISDBHSA-N 1 1 329.415 4.021 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2nn(C)c3ccccc23)cc1 ZINC000768208017 1045742284 /nfs/dbraw/zinc/74/22/84/1045742284.db2.gz MBPDPQCTTRJXDC-UHFFFAOYSA-N 1 1 336.483 4.052 20 10 EICDMO CCOc1ccc(C[N@@H+](C)Cc2ccccc2N2CCCC2)c(O)c1 ZINC000768205401 1045743852 /nfs/dbraw/zinc/74/38/52/1045743852.db2.gz CTVPCBCISILHMO-UHFFFAOYSA-N 1 1 340.467 4.023 20 10 EICDMO Oc1cccc(Cl)c1C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000768204204 1045744397 /nfs/dbraw/zinc/74/43/97/1045744397.db2.gz RMPUSIPPZGUQIA-ZDUSSCGKSA-N 1 1 337.872 4.288 20 10 EICDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C)c(C)cc2O)cc1OC ZINC000768231476 1045759517 /nfs/dbraw/zinc/75/95/17/1045759517.db2.gz WOQSSKDGMPTVPL-SFHVURJKSA-N 1 1 341.451 4.363 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2ccnc3ccccc23)C2CC2)cc1 ZINC000768258200 1045768763 /nfs/dbraw/zinc/76/87/63/1045768763.db2.gz UAIMYAPVXOWLEC-UHFFFAOYSA-N 1 1 331.463 4.465 20 10 EICDMO COc1cccc(C[N@@H+](Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)c1O ZINC000768256337 1045769780 /nfs/dbraw/zinc/76/97/80/1045769780.db2.gz CLKZQTJGTWZLSV-GUYCJALGSA-N 1 1 327.424 4.282 20 10 EICDMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cc(Cl)ccc1O)C1CC1 ZINC000768335050 1045790444 /nfs/dbraw/zinc/79/04/44/1045790444.db2.gz SBSNPPRRPVUQTC-UHFFFAOYSA-N 1 1 332.787 4.118 20 10 EICDMO CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1Cl ZINC000768340781 1045794269 /nfs/dbraw/zinc/79/42/69/1045794269.db2.gz DPAQQXWVKOBGIF-UHFFFAOYSA-N 1 1 344.886 4.199 20 10 EICDMO CCOc1ccc(C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)c(O)c1 ZINC000768423590 1045805651 /nfs/dbraw/zinc/80/56/51/1045805651.db2.gz KIBPZIQWKZLOBW-JOCHJYFZSA-N 1 1 348.446 4.198 20 10 EICDMO CCOc1ccc(C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)c(O)c1 ZINC000768423590 1045805654 /nfs/dbraw/zinc/80/56/54/1045805654.db2.gz KIBPZIQWKZLOBW-JOCHJYFZSA-N 1 1 348.446 4.198 20 10 EICDMO COc1cc(O)c(C[N@@H+](C)[C@H](c2ccccc2)C(C)C)cc1OC ZINC000768445092 1045807455 /nfs/dbraw/zinc/80/74/55/1045807455.db2.gz FKCLQNNWVIRPKY-FQEVSTJZSA-N 1 1 329.440 4.239 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2c2ccc(C)cc2)cc1OC ZINC000768441375 1045807900 /nfs/dbraw/zinc/80/79/00/1045807900.db2.gz KHDIYPGDTIQKPB-QGZVFWFLSA-N 1 1 327.424 4.055 20 10 EICDMO CCOc1ccc(C[N@@H+]2CCc3[nH]c4ccc(C)cc4c3C2)c(O)c1 ZINC000768769018 1045834880 /nfs/dbraw/zinc/83/48/80/1045834880.db2.gz PZBPXDCNPSGDCR-UHFFFAOYSA-N 1 1 336.435 4.139 20 10 EICDMO CCOc1ccc(C[N@H+]2CCc3[nH]c4ccc(C)cc4c3C2)c(O)c1 ZINC000768769018 1045834881 /nfs/dbraw/zinc/83/48/81/1045834881.db2.gz PZBPXDCNPSGDCR-UHFFFAOYSA-N 1 1 336.435 4.139 20 10 EICDMO COc1c(Cl)cc(Cl)cc1C[N@@H+](C)Cc1ccccc1O ZINC000768872834 1045851345 /nfs/dbraw/zinc/85/13/45/1045851345.db2.gz JWXPWFLWQKMCDG-UHFFFAOYSA-N 1 1 326.223 4.340 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)cc1F ZINC000768877489 1045851478 /nfs/dbraw/zinc/85/14/78/1045851478.db2.gz HCIXCYICZSREBH-GOSISDBHSA-N 1 1 331.435 4.305 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2c2cc(C)no2)cc1F ZINC000768877489 1045851483 /nfs/dbraw/zinc/85/14/83/1045851483.db2.gz HCIXCYICZSREBH-GOSISDBHSA-N 1 1 331.435 4.305 20 10 EICDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2c(O)cccc2Cl)C1 ZINC000769149000 1045885387 /nfs/dbraw/zinc/88/53/87/1045885387.db2.gz WQJYCVKUNHZAFJ-HOTGVXAUSA-N 1 1 336.907 4.132 20 10 EICDMO CCC[N@@H+](Cc1cnc(-c2ccncc2)s1)Cc1ccccc1O ZINC000769200968 1045893412 /nfs/dbraw/zinc/89/34/12/1045893412.db2.gz LAZNPMJWJOPDTM-UHFFFAOYSA-N 1 1 339.464 4.323 20 10 EICDMO Cc1ccc(O)c(C[N@H+]2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1 ZINC000769310653 1045917976 /nfs/dbraw/zinc/91/79/76/1045917976.db2.gz IYDQRBPMWDICLT-SFHVURJKSA-N 1 1 335.806 4.067 20 10 EICDMO Cc1ccc(O)c(C[N@@H+]2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1 ZINC000769310653 1045917965 /nfs/dbraw/zinc/91/79/65/1045917965.db2.gz IYDQRBPMWDICLT-SFHVURJKSA-N 1 1 335.806 4.067 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2ccccc2OC)c1 ZINC000769317987 1045919261 /nfs/dbraw/zinc/91/92/61/1045919261.db2.gz DYXXYIOWXBDUHK-GOSISDBHSA-N 1 1 327.424 4.137 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000769329510 1045924730 /nfs/dbraw/zinc/92/47/30/1045924730.db2.gz LYKSLFZNVMJEPZ-OAQYLSRUSA-N 1 1 336.479 4.119 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000769329510 1045924740 /nfs/dbraw/zinc/92/47/40/1045924740.db2.gz LYKSLFZNVMJEPZ-OAQYLSRUSA-N 1 1 336.479 4.119 20 10 EICDMO CCOc1ccc(O)c(C[N@@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000769386568 1045944562 /nfs/dbraw/zinc/94/45/62/1045944562.db2.gz BPKAFBITCRYOOL-UHFFFAOYSA-N 1 1 341.451 4.441 20 10 EICDMO Cc1ccc(O)c(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000769385372 1045945962 /nfs/dbraw/zinc/94/59/62/1045945962.db2.gz WFWKOCNGTBNNQZ-RXVVDRJESA-N 1 1 338.495 4.186 20 10 EICDMO CCOc1ccc(C[N@@H+](C)[C@@H]2CCCc3nc(C)sc32)c(O)c1 ZINC000769403917 1045951293 /nfs/dbraw/zinc/95/12/93/1045951293.db2.gz JUZGIMCGWMAIDQ-MRXNPFEDSA-N 1 1 332.469 4.065 20 10 EICDMO COc1cccc(O)c1C[N@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000769462876 1045983422 /nfs/dbraw/zinc/98/34/22/1045983422.db2.gz LHHVMUFHBALTSW-KUHUBIRLSA-N 1 1 329.465 4.079 20 10 EICDMO CC[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C)c1ccc(F)cc1O ZINC000796945172 1046101848 /nfs/dbraw/zinc/10/18/48/1046101848.db2.gz NVDNGJRMSDUAQJ-DCPHZVHLSA-N 1 1 330.447 4.263 20 10 EICDMO CC[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(F)cc1O ZINC000796952072 1046320293 /nfs/dbraw/zinc/32/02/93/1046320293.db2.gz XAAOOUDMFPTFCU-PJODQICGSA-N 1 1 349.368 4.056 20 10 EICDMO COc1cccc(O)c1C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000771926987 1046518249 /nfs/dbraw/zinc/51/82/49/1046518249.db2.gz KQZWTKJNOBRFRY-UHFFFAOYSA-N 1 1 325.330 4.052 20 10 EICDMO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1nc(C(F)(F)F)cs1 ZINC000785607035 1046718536 /nfs/dbraw/zinc/71/85/36/1046718536.db2.gz ODTFRVHYONSWEX-SSDOTTSWSA-N 1 1 336.766 4.372 20 10 EICDMO Cc1nccn1CCC[N@H+](C)Cc1cc2oc3ccccc3c2cc1O ZINC000746627001 1046892057 /nfs/dbraw/zinc/89/20/57/1046892057.db2.gz JYMCVBCUUQAPJZ-UHFFFAOYSA-N 1 1 349.434 4.319 20 10 EICDMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000917474202 1046896980 /nfs/dbraw/zinc/89/69/80/1046896980.db2.gz IRJAXXZQGLMYFB-GOSISDBHSA-N 1 1 336.410 4.287 20 10 EICDMO Cc1ccccc1OCCC[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000917487353 1046919953 /nfs/dbraw/zinc/91/99/53/1046919953.db2.gz INMDXKJBDULCCN-UHFFFAOYSA-N 1 1 336.435 4.150 20 10 EICDMO CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132531 1047127556 /nfs/dbraw/zinc/12/75/56/1047127556.db2.gz XKKHOKBQFBXWGY-HRCADAONSA-N 1 1 343.298 4.367 20 10 EICDMO CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132531 1047127568 /nfs/dbraw/zinc/12/75/68/1047127568.db2.gz XKKHOKBQFBXWGY-HRCADAONSA-N 1 1 343.298 4.367 20 10 EICDMO CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139953 1047133829 /nfs/dbraw/zinc/13/38/29/1047133829.db2.gz STOOYISFODZOOW-NHYWBVRUSA-N 1 1 331.287 4.082 20 10 EICDMO CC[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)c1ccc(F)cc1O ZINC000806177015 1047163279 /nfs/dbraw/zinc/16/32/79/1047163279.db2.gz RXHBATIXPDOBOD-IRXDYDNUSA-N 1 1 337.822 4.349 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000788532148 1047229327 /nfs/dbraw/zinc/22/93/27/1047229327.db2.gz LTNYKEVTOPMJQC-CQSZACIVSA-N 1 1 348.849 4.191 20 10 EICDMO C[C@H]([NH2+]CC1(CCO)CCCC1)c1cccc(C(F)(F)F)c1O ZINC000788607689 1047245493 /nfs/dbraw/zinc/24/54/93/1047245493.db2.gz CALVEERUORUBRN-LBPRGKRZSA-N 1 1 331.378 4.004 20 10 EICDMO C[C@H]([NH2+]Cc1cc(F)c(Cl)cc1F)c1cc(F)cc(F)c1O ZINC000788621548 1047253448 /nfs/dbraw/zinc/25/34/48/1047253448.db2.gz ZGCHYTTUXNNSNP-ZETCQYMHSA-N 1 1 333.712 4.453 20 10 EICDMO CCOCCC1(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000788668893 1047268929 /nfs/dbraw/zinc/26/89/29/1047268929.db2.gz BJPMLYNFGYPBGY-LBPRGKRZSA-N 1 1 331.378 4.268 20 10 EICDMO COCC[C@@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)c1ccco1 ZINC000788735328 1047296586 /nfs/dbraw/zinc/29/65/86/1047296586.db2.gz PNCDUFKLJATXPA-BXUZGUMPSA-N 1 1 343.345 4.432 20 10 EICDMO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC000788796733 1047304808 /nfs/dbraw/zinc/30/48/08/1047304808.db2.gz IBGDKFRDFORILG-ICSRJNTNSA-N 1 1 338.495 4.182 20 10 EICDMO C[C@@H]([NH2+][C@H]1CCCC12CCOCC2)c1cccc(C(F)(F)F)c1O ZINC000788824804 1047321094 /nfs/dbraw/zinc/32/10/94/1047321094.db2.gz WJLURZGMUHUUEW-DOMZBBRYSA-N 1 1 343.389 4.411 20 10 EICDMO COCc1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000154707076 1047415756 /nfs/dbraw/zinc/41/57/56/1047415756.db2.gz IZEATPLZLJRTDE-UHFFFAOYSA-N 1 1 337.419 4.334 20 10 EICDMO CO[C@@H]1CC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)[C@@H](C)C1 ZINC000824339385 1047858503 /nfs/dbraw/zinc/85/85/03/1047858503.db2.gz UQJNUDMRKXSJOC-QFBILLFUSA-N 1 1 344.524 4.384 20 10 EICDMO COc1ccc(N(Cc2c[nH+]c3n2CCC3)Cc2ccccc2)cc1 ZINC000824474485 1047872219 /nfs/dbraw/zinc/87/22/19/1047872219.db2.gz OTPGBIOJFUTQRZ-UHFFFAOYSA-N 1 1 333.435 4.045 20 10 EICDMO COC[C@@]1(C)CC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000824582933 1047892076 /nfs/dbraw/zinc/89/20/76/1047892076.db2.gz DVWJMMOOUMCBEH-FQEVSTJZSA-N 1 1 344.524 4.243 20 10 EICDMO O[C@@H]1CCC[C@H]1[C@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000824697150 1047897844 /nfs/dbraw/zinc/89/78/44/1047897844.db2.gz ZCRSKZLXUWHEIW-BHDDXSALSA-N 1 1 342.527 4.192 20 10 EICDMO Oc1c(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)ccc2ccccc21 ZINC000824893084 1047982138 /nfs/dbraw/zinc/98/21/38/1047982138.db2.gz JWOLEYLTZKUCKC-UXHICEINSA-N 1 1 337.463 4.327 20 10 EICDMO CCCN(CCC)c1ccc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)cc1 ZINC000825017717 1048018909 /nfs/dbraw/zinc/01/89/09/1048018909.db2.gz YCEFWUSIRFPUIA-LPHOPBHVSA-N 1 1 326.488 4.305 20 10 EICDMO C[N@@H+](CC[C@H](O)c1ccccc1)Cc1ccc(N2CCCCC2)cc1 ZINC000808706464 1048053087 /nfs/dbraw/zinc/05/30/87/1048053087.db2.gz KTFKFBHFBWQJJV-QFIPXVFZSA-N 1 1 338.495 4.232 20 10 EICDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CO)c2c(F)cccc2F)c1O ZINC000808707568 1048054118 /nfs/dbraw/zinc/05/41/18/1048054118.db2.gz SKPHESCZJASMOT-ZUZCIYMTSA-N 1 1 341.785 4.016 20 10 EICDMO Cc1cc(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)ccc1N(C)C ZINC000815061229 1048315292 /nfs/dbraw/zinc/31/52/92/1048315292.db2.gz NEFQNXLJXRNXIZ-BEFAXECRSA-N 1 1 330.497 4.085 20 10 EICDMO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)ccc1N(C)C ZINC000815061229 1048315306 /nfs/dbraw/zinc/31/53/06/1048315306.db2.gz NEFQNXLJXRNXIZ-BEFAXECRSA-N 1 1 330.497 4.085 20 10 EICDMO Cc1cc(C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)ccc1N(C)C ZINC000815080132 1048322878 /nfs/dbraw/zinc/32/28/78/1048322878.db2.gz HVUMKQQXKNECTQ-UHFFFAOYSA-N 1 1 341.886 4.399 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1 ZINC000815106265 1048348617 /nfs/dbraw/zinc/34/86/17/1048348617.db2.gz RMDLKFWGYOBVRN-HBMCJLEFSA-N 1 1 330.516 4.048 20 10 EICDMO CCOc1c(F)cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc1F ZINC001144032560 1048363425 /nfs/dbraw/zinc/36/34/25/1048363425.db2.gz PBWOCRGJWGFNOY-UHFFFAOYSA-N 1 1 334.410 4.062 20 10 EICDMO COc1ccc(N2CCC[N@@H+](Cc3ccc4occc4c3)CC2)cc1 ZINC000809551225 1048412034 /nfs/dbraw/zinc/41/20/34/1048412034.db2.gz QBHQXCDBUHPYOD-UHFFFAOYSA-N 1 1 336.435 4.154 20 10 EICDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000809700960 1048467234 /nfs/dbraw/zinc/46/72/34/1048467234.db2.gz RVFZPAHFHHJQTC-NQIIRXRSSA-N 1 1 330.516 4.192 20 10 EICDMO CCC[N@@H+](CCc1ccccn1)Cc1cc(Br)ccc1O ZINC000809734543 1048484834 /nfs/dbraw/zinc/48/48/34/1048484834.db2.gz JFKJOHIMSFQAPT-UHFFFAOYSA-N 1 1 349.272 4.004 20 10 EICDMO C[C@H]([NH2+]CCOc1ccccc1F)c1cccc(C(F)(F)F)c1O ZINC000815553438 1048505250 /nfs/dbraw/zinc/50/52/50/1048505250.db2.gz ADSOAUOQXQWUAM-NSHDSACASA-N 1 1 343.320 4.280 20 10 EICDMO CC[N@@H+](Cc1cccc(-c2ccncc2)c1)Cc1cc(OC)ccc1O ZINC000809748527 1048516046 /nfs/dbraw/zinc/51/60/46/1048516046.db2.gz UIQQAWBELOTTBG-UHFFFAOYSA-N 1 1 348.446 4.485 20 10 EICDMO CCC1(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)CCOCC1 ZINC000815585375 1048523238 /nfs/dbraw/zinc/52/32/38/1048523238.db2.gz FTBHLWGYRQOOCC-GFCCVEGCSA-N 1 1 331.378 4.268 20 10 EICDMO C[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1cccc(C(F)(F)F)c1O ZINC000815574726 1048539189 /nfs/dbraw/zinc/53/91/89/1048539189.db2.gz ARLVHBQTBVZEJL-NHYWBVRUSA-N 1 1 331.378 4.003 20 10 EICDMO CC[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccc(F)cc1O ZINC000815645618 1048569902 /nfs/dbraw/zinc/56/99/02/1048569902.db2.gz LHCMRWSJXVLRCF-HNNXBMFYSA-N 1 1 342.336 4.229 20 10 EICDMO C[N@H+](Cc1ccc(F)cc1)Cc1cc(Br)c(F)cc1O ZINC001144298554 1048573836 /nfs/dbraw/zinc/57/38/36/1048573836.db2.gz GNCMQSXUCZELJT-UHFFFAOYSA-N 1 1 342.183 4.065 20 10 EICDMO C[N@@H+](Cc1ccc(F)cc1)Cc1cc(Br)c(F)cc1O ZINC001144298554 1048573846 /nfs/dbraw/zinc/57/38/46/1048573846.db2.gz GNCMQSXUCZELJT-UHFFFAOYSA-N 1 1 342.183 4.065 20 10 EICDMO CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@@H](C)c1cccc(OC)c1 ZINC000748051428 1048724953 /nfs/dbraw/zinc/72/49/53/1048724953.db2.gz WAHCGASLHDVGPD-ZDUSSCGKSA-N 1 1 345.414 4.326 20 10 EICDMO CC[C@@]1(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)OCCc2ccccc21 ZINC000810242370 1048724859 /nfs/dbraw/zinc/72/48/59/1048724859.db2.gz AJKPCIUJVMBOSK-RBZFPXEDSA-N 1 1 347.405 4.199 20 10 EICDMO CC[C@@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(F)cc1O ZINC000810250547 1048729814 /nfs/dbraw/zinc/72/98/14/1048729814.db2.gz NDIHIOQXEAKRQW-POAQFYNOSA-N 1 1 329.415 4.492 20 10 EICDMO COc1ccc(O)c([C@H](C)NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)c1 ZINC000845973102 1048773231 /nfs/dbraw/zinc/77/32/31/1048773231.db2.gz XJTMCZFEYXTUCF-GUXCAODWSA-N 1 1 346.515 4.095 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH+]2CCC3(CC3(F)F)CC2)c1 ZINC000846055752 1048808442 /nfs/dbraw/zinc/80/84/42/1048808442.db2.gz WWWLGHZLWDTSOG-UHFFFAOYSA-N 1 1 346.215 4.084 20 10 EICDMO Cn1ncc(C[N@@H+](Cc2ccccc2O)C2CCCCC2)c1Cl ZINC000816480131 1048811300 /nfs/dbraw/zinc/81/13/00/1048811300.db2.gz DMHFRRWBFNLPOG-UHFFFAOYSA-N 1 1 333.863 4.114 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000816483773 1048812223 /nfs/dbraw/zinc/81/22/23/1048812223.db2.gz DNWHVAFJUCLHPE-IBGZPJMESA-N 1 1 349.833 4.130 20 10 EICDMO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc3ccccc3c1O)C2 ZINC000816494420 1048814673 /nfs/dbraw/zinc/81/46/73/1048814673.db2.gz KQJKKRJIPOJYDA-UHFFFAOYSA-N 1 1 346.430 4.062 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H](c1ccccc1)[C@H]1CCCO1 ZINC000816541291 1048827279 /nfs/dbraw/zinc/82/72/79/1048827279.db2.gz IOWSZSYVNAUYNI-QZTJIDSGSA-N 1 1 335.806 4.195 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000816538402 1048827358 /nfs/dbraw/zinc/82/73/58/1048827358.db2.gz PZVBXIJDEMADKM-OAHLLOKOSA-N 1 1 339.769 4.327 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000816551343 1048828318 /nfs/dbraw/zinc/82/83/18/1048828318.db2.gz YCHAPSQSCSAYEV-IBGZPJMESA-N 1 1 349.833 4.442 20 10 EICDMO COC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccc(Cl)cc1 ZINC000816594004 1048832356 /nfs/dbraw/zinc/83/23/56/1048832356.db2.gz MAXHVBWIDGNZQC-HNNXBMFYSA-N 1 1 344.213 4.315 20 10 EICDMO CC(C)[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@@H](O)c1ccccc1 ZINC000816594385 1048832868 /nfs/dbraw/zinc/83/28/68/1048832868.db2.gz BJYAGMFJEQNKKT-MSOLQXFVSA-N 1 1 337.822 4.033 20 10 EICDMO CCC(CC)[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000816564833 1048836724 /nfs/dbraw/zinc/83/67/24/1048836724.db2.gz RVTWKSZBIQRWST-DYVFJYSZSA-N 1 1 329.843 4.258 20 10 EICDMO CC(C)(C)OCc1cc(C[NH2+]Cc2ccc3ccccc3c2O)no1 ZINC000816574923 1048839155 /nfs/dbraw/zinc/83/91/55/1048839155.db2.gz WTYFRLKHLWGRQK-UHFFFAOYSA-N 1 1 340.423 4.138 20 10 EICDMO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817938599 1049061949 /nfs/dbraw/zinc/06/19/49/1049061949.db2.gz ODJKGUVOGQHGJF-DNVCBOLYSA-N 1 1 337.467 4.158 20 10 EICDMO C[C@@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000817987211 1049079095 /nfs/dbraw/zinc/07/90/95/1049079095.db2.gz YHBIBALJIAECOQ-UYAOXDASSA-N 1 1 341.543 4.392 20 10 EICDMO Oc1cc2c(cc1O)C[N@H+]([C@@H]1CCc3cccc(Cl)c3C1)CCC2 ZINC001170943558 1049431363 /nfs/dbraw/zinc/43/13/63/1049431363.db2.gz LVXAZKSNJBCQSN-MRXNPFEDSA-N 1 1 343.854 4.057 20 10 EICDMO Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000747831759 1049658288 /nfs/dbraw/zinc/65/82/88/1049658288.db2.gz SHNYJGVTHRTCHH-SJORKVTESA-N 1 1 331.500 4.247 20 10 EICDMO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1CCCc2occc21 ZINC000715771241 1049658682 /nfs/dbraw/zinc/65/86/82/1049658682.db2.gz UODQJBJEUCFAOT-CYBMUJFWSA-N 1 1 340.192 4.054 20 10 EICDMO CC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@@H](C)c1cccc(OC)c1 ZINC000179723261 1049732543 /nfs/dbraw/zinc/73/25/43/1049732543.db2.gz SSMIYILBBYGXJX-AWEZNQCLSA-N 1 1 345.439 4.001 20 10 EICDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cccc3ccccc32)cc1 ZINC001171729566 1049786827 /nfs/dbraw/zinc/78/68/27/1049786827.db2.gz KYTKVGZAISYWNS-UHFFFAOYSA-N 1 1 334.463 4.417 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CCCC[C@H]2Cc2ccccc2F)cc1 ZINC001171791476 1049805091 /nfs/dbraw/zinc/80/50/91/1049805091.db2.gz LYNMBZAFJMRDLI-FQEVSTJZSA-N 1 1 326.459 4.489 20 10 EICDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000823447180 1049847777 /nfs/dbraw/zinc/84/77/77/1049847777.db2.gz DCXPIEOFBRCAIU-GOSISDBHSA-N 1 1 344.524 4.243 20 10 EICDMO CS[C@H](C[NH2+]Cc1cc(C)cc(Br)c1O)C(C)(C)C ZINC001178472802 1050478412 /nfs/dbraw/zinc/47/84/12/1050478412.db2.gz HHSYADAIZXJRIY-CYBMUJFWSA-N 1 1 346.334 4.330 20 10 EICDMO COCCCCc1ccc[nH+]c1NCc1c(C)c2ccccc2n1C ZINC001178773656 1050561241 /nfs/dbraw/zinc/56/12/41/1050561241.db2.gz BNMBUQCIDJZUDV-UHFFFAOYSA-N 1 1 337.467 4.463 20 10 EICDMO Cc1ccc(Br)c(C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC001178966655 1050599248 /nfs/dbraw/zinc/59/92/48/1050599248.db2.gz JSEVRZACMZWJEM-UHFFFAOYSA-N 1 1 342.183 4.031 20 10 EICDMO Oc1c(Br)cccc1C[NH2+]Cc1ccccc1C1CC1 ZINC000775145799 1050629638 /nfs/dbraw/zinc/62/96/38/1050629638.db2.gz LSGKYMKRFMYTGT-UHFFFAOYSA-N 1 1 332.241 4.322 20 10 EICDMO Oc1c(Br)cccc1C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000775151536 1050641668 /nfs/dbraw/zinc/64/16/68/1050641668.db2.gz GTBUUOYLZBGDJY-IHWYPQMZSA-N 1 1 336.204 4.097 20 10 EICDMO Cc1cc(Cl)ccc1C[NH2+]Cc1cccc(Br)c1O ZINC000775151547 1050642344 /nfs/dbraw/zinc/64/23/44/1050642344.db2.gz HIGXFCVEOCHLNO-UHFFFAOYSA-N 1 1 340.648 4.406 20 10 EICDMO C[C@@H]1CC[C@@](CO)([NH2+]Cc2c(O)ccc(Cl)c2F)c2ccccc21 ZINC001179792910 1050780961 /nfs/dbraw/zinc/78/09/61/1050780961.db2.gz CYNGILNWZJLDKD-BLVKFPJESA-N 1 1 349.833 4.059 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cccc2n[nH]cc21 ZINC001179845139 1050795188 /nfs/dbraw/zinc/79/51/88/1050795188.db2.gz MMYAUDWAIKTPFN-UHFFFAOYSA-N 1 1 334.467 4.185 20 10 EICDMO CC[N@@H+](Cc1ccccc1C)Cc1c(O)cccc1Br ZINC001179909061 1050832328 /nfs/dbraw/zinc/83/23/28/1050832328.db2.gz BTPBNJYVYNCUTQ-UHFFFAOYSA-N 1 1 334.257 4.485 20 10 EICDMO COc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2c2ccc(C)o2)c(O)c1OC ZINC001179962789 1050848359 /nfs/dbraw/zinc/84/83/59/1050848359.db2.gz SJSRDQWUIDMKPD-CJNGLKHVSA-N 1 1 345.439 4.284 20 10 EICDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(Cl)c(C)cc1O ZINC001180051543 1050867000 /nfs/dbraw/zinc/86/70/00/1050867000.db2.gz HTZGYCQXSXFYLV-QGZVFWFLSA-N 1 1 333.859 4.127 20 10 EICDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC001180112352 1050887494 /nfs/dbraw/zinc/88/74/94/1050887494.db2.gz IJHSYHBDGZFTEV-CQSZACIVSA-N 1 1 330.422 4.459 20 10 EICDMO CC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCS1 ZINC001180198672 1050927707 /nfs/dbraw/zinc/92/77/07/1050927707.db2.gz HCVAQZIHFUGFRS-AWEZNQCLSA-N 1 1 332.435 4.099 20 10 EICDMO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C(C)(C)C)c(O)c1OC ZINC001180285124 1050955423 /nfs/dbraw/zinc/95/54/23/1050955423.db2.gz WRBUHRPXTYSKSI-UHFFFAOYSA-N 1 1 347.430 4.349 20 10 EICDMO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1cc(F)c(F)cc1O ZINC001180349506 1050966319 /nfs/dbraw/zinc/96/63/19/1050966319.db2.gz MMLDENMLXBWJLN-QGHHPUGFSA-N 1 1 341.785 4.190 20 10 EICDMO CC(C)[N@@H+](CCN(C)c1ccccc1)Cc1ccc(N(C)C)cc1 ZINC001190437233 1051185815 /nfs/dbraw/zinc/18/58/15/1051185815.db2.gz VKJIEBNUTROQED-UHFFFAOYSA-N 1 1 325.500 4.099 20 10 EICDMO COc1c(O)c(C[NH+](CC(C)(C)C)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC001181536215 1051249322 /nfs/dbraw/zinc/24/93/22/1051249322.db2.gz ZSIKFMXSGGDACW-UHFFFAOYSA-N 1 1 338.448 4.203 20 10 EICDMO Cc1c(Cl)cccc1N1CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC001181730768 1051288279 /nfs/dbraw/zinc/28/82/79/1051288279.db2.gz UEDTYRCXEZDATN-UHFFFAOYSA-N 1 1 348.849 4.205 20 10 EICDMO C[N@@H+](CCc1ccncc1)Cc1ccc(OCc2ccccc2)cc1O ZINC000183759829 1051364297 /nfs/dbraw/zinc/36/42/97/1051364297.db2.gz AMHAVMXXGHMAJO-UHFFFAOYSA-N 1 1 348.446 4.041 20 10 EICDMO FC[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204321001 1051395719 /nfs/dbraw/zinc/39/57/19/1051395719.db2.gz CBQNOQLXNWAOMO-MRXNPFEDSA-N 1 1 330.369 4.011 20 10 EICDMO Oc1c(F)cccc1C[NH+]1CCC(Cc2cc(F)ccc2F)CC1 ZINC001182327948 1051501065 /nfs/dbraw/zinc/50/10/65/1051501065.db2.gz WXPJJAJXBKIATJ-UHFFFAOYSA-N 1 1 335.369 4.264 20 10 EICDMO Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774207356 1051502196 /nfs/dbraw/zinc/50/21/96/1051502196.db2.gz JIONZLBDKKCLJC-BZNIZROVSA-N 1 1 340.250 4.392 20 10 EICDMO C[N@H+](Cc1ccc(Br)cc1O)C1CCC(F)(F)CC1 ZINC000691684999 1051514034 /nfs/dbraw/zinc/51/40/34/1051514034.db2.gz YBYFCAALDFSBOL-UHFFFAOYSA-N 1 1 334.204 4.164 20 10 EICDMO C[N@@H+](Cc1ccc(Br)cc1O)C1CCC(F)(F)CC1 ZINC000691684999 1051514040 /nfs/dbraw/zinc/51/40/40/1051514040.db2.gz YBYFCAALDFSBOL-UHFFFAOYSA-N 1 1 334.204 4.164 20 10 EICDMO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774259127 1051531857 /nfs/dbraw/zinc/53/18/57/1051531857.db2.gz PVRFIIMWXCXAOK-RNCFNFMXSA-N 1 1 346.279 4.453 20 10 EICDMO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774259134 1051531964 /nfs/dbraw/zinc/53/19/64/1051531964.db2.gz PVRFIIMWXCXAOK-ZANVPECISA-N 1 1 346.279 4.453 20 10 EICDMO C[C@@H]([NH2+]CCc1ccc(CO)cc1)c1cc(Cl)c(Cl)cc1O ZINC000774269770 1051538415 /nfs/dbraw/zinc/53/84/15/1051538415.db2.gz BYTDCJVWIUDKEQ-LLVKDONJSA-N 1 1 340.250 4.085 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1nc(-c2ccccc2)no1 ZINC000774482539 1051610898 /nfs/dbraw/zinc/61/08/98/1051610898.db2.gz GUTGHBKAPYSBEU-LSDHHAIUSA-N 1 1 336.439 4.214 20 10 EICDMO CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775510039 1051654015 /nfs/dbraw/zinc/65/40/15/1051654015.db2.gz URXSHVOYSOPOGU-MJVIPROJSA-N 1 1 331.287 4.222 20 10 EICDMO CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775510039 1051654021 /nfs/dbraw/zinc/65/40/21/1051654021.db2.gz URXSHVOYSOPOGU-MJVIPROJSA-N 1 1 331.287 4.222 20 10 EICDMO COc1ccc(C[C@@H]2CCCC[N@H+]2Cc2cc(F)ccc2O)cc1 ZINC001182764272 1051691365 /nfs/dbraw/zinc/69/13/65/1051691365.db2.gz MIUVTLLGACAAIM-SFHVURJKSA-N 1 1 329.415 4.137 20 10 EICDMO CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775531594 1051748399 /nfs/dbraw/zinc/74/83/99/1051748399.db2.gz IHRBATRLFJZSMN-AWEZNQCLSA-N 1 1 329.271 4.002 20 10 EICDMO CCCC[N@@H+](Cc1ccccc1O)C[Si](C)(C)c1ccccc1 ZINC001193839497 1051995920 /nfs/dbraw/zinc/99/59/20/1051995920.db2.gz SQTZMUAHEBGFBZ-UHFFFAOYSA-N 1 1 327.544 4.149 20 10 EICDMO C[C@@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cc(F)ccc1O ZINC000184919930 1052309384 /nfs/dbraw/zinc/30/93/84/1052309384.db2.gz JPUXBIQFNPVLSP-DNVCBOLYSA-N 1 1 328.431 4.019 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1O ZINC000185156927 1052494360 /nfs/dbraw/zinc/49/43/60/1052494360.db2.gz VCDANDCJKCVTRJ-UONOGXRCSA-N 1 1 342.414 4.070 20 10 EICDMO C[C@@H]([NH2+]C[C@@H](O)c1ccc2ccccc2c1)c1ccc(F)cc1O ZINC000185406715 1052595315 /nfs/dbraw/zinc/59/53/15/1052595315.db2.gz VJLIGHQFSDLCSF-ZUOKHONESA-N 1 1 325.383 4.069 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccc(-n2cccn2)cc1 ZINC000185611371 1052657905 /nfs/dbraw/zinc/65/79/05/1052657905.db2.gz IKHOXOFFYHGTGI-KGLIPLIRSA-N 1 1 325.387 4.129 20 10 EICDMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1cccc(-n2cccn2)c1 ZINC000185616492 1052662422 /nfs/dbraw/zinc/66/24/22/1052662422.db2.gz RCLNTUGVWLUSKX-ZIAGYGMSSA-N 1 1 325.387 4.129 20 10 EICDMO CCN(C)c1ccc(C[N@@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)cc1 ZINC001194764542 1053099579 /nfs/dbraw/zinc/09/95/79/1053099579.db2.gz MHHJYOQGHOKNKW-OALUTQOASA-N 1 1 340.511 4.129 20 10 EICDMO CO[C@]1(C)CCC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000794654902 1053250715 /nfs/dbraw/zinc/25/07/15/1053250715.db2.gz JMZSDWHOQPOQLM-HXUWFJFHSA-N 1 1 325.408 4.293 20 10 EICDMO CC[C@H]([NH2+][C@H](c1ccccc1)[C@@H](O)C(C)C)c1ccc(F)cc1O ZINC000850554436 1053308926 /nfs/dbraw/zinc/30/89/26/1053308926.db2.gz JPIDWIDILVZQSC-SXLOBPIMSA-N 1 1 331.431 4.330 20 10 EICDMO CC(C)[C@H](O)[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ccccc1 ZINC000850554444 1053310840 /nfs/dbraw/zinc/31/08/40/1053310840.db2.gz JPLJQOKXVPAHOG-RZAIGCCYSA-N 1 1 335.394 4.079 20 10 EICDMO CC(C)[N@@H+](C)CCCN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000764805582 1053316403 /nfs/dbraw/zinc/31/64/03/1053316403.db2.gz GHVCYWGTNSGTHA-KRWDZBQOSA-N 1 1 335.511 4.197 20 10 EICDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(C)c2O)c(OC)c1 ZINC000775647690 1053367467 /nfs/dbraw/zinc/36/74/67/1053367467.db2.gz ZCXQAKFWBQFXNY-SFHVURJKSA-N 1 1 327.424 4.055 20 10 EICDMO CC[C@@H](c1ccccc1)[N@@H+](CC)Cc1cc(OC)c(OC)cc1O ZINC000775653985 1053386022 /nfs/dbraw/zinc/38/60/22/1053386022.db2.gz QCJPFTPDSASGMK-KRWDZBQOSA-N 1 1 329.440 4.383 20 10 EICDMO CCN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)[C@@H]2C)cc1 ZINC001195450942 1053402716 /nfs/dbraw/zinc/40/27/16/1053402716.db2.gz AITSBCSACZPADQ-HRAATJIYSA-N 1 1 342.458 4.244 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2CCO[C@@H](c3cccc(F)c3)[C@@H]2C)cc1 ZINC001195450942 1053402739 /nfs/dbraw/zinc/40/27/39/1053402739.db2.gz AITSBCSACZPADQ-HRAATJIYSA-N 1 1 342.458 4.244 20 10 EICDMO C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1ccccc1O ZINC000109769996 1053422454 /nfs/dbraw/zinc/42/24/54/1053422454.db2.gz UQTRWLCTTXLFGJ-UHFFFAOYSA-N 1 1 346.430 4.277 20 10 EICDMO Cc1cccc(CC[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)n1 ZINC000794827194 1053440387 /nfs/dbraw/zinc/44/03/87/1053440387.db2.gz IYTMZLIYVKVXNY-NSHDSACASA-N 1 1 325.239 4.296 20 10 EICDMO Cc1cccc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c1O ZINC000775665909 1053441307 /nfs/dbraw/zinc/44/13/07/1053441307.db2.gz NKYPFFMWLPFECP-IBGZPJMESA-N 1 1 329.415 4.021 20 10 EICDMO COc1ccc(O)c(C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000775667496 1053456594 /nfs/dbraw/zinc/45/65/94/1053456594.db2.gz JTCWKSFRBAHWHI-DYESRHJHSA-N 1 1 341.451 4.001 20 10 EICDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCc3ccc(F)cc32)c1 ZINC000794837812 1053495000 /nfs/dbraw/zinc/49/50/00/1053495000.db2.gz ZTACVEHEGYQQMP-KPZWWZAWSA-N 1 1 343.398 4.046 20 10 EICDMO CC[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)[C@@H](CC)CO1 ZINC001195862481 1053510404 /nfs/dbraw/zinc/51/04/04/1053510404.db2.gz MCNAKODYHJMAGU-PMACEKPBSA-N 1 1 330.516 4.375 20 10 EICDMO C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+](C)Cc1ccccc1O ZINC000171926002 1053585263 /nfs/dbraw/zinc/58/52/63/1053585263.db2.gz VYDOGCXRVOPHBU-LBPRGKRZSA-N 1 1 331.366 4.330 20 10 EICDMO CC[C@@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccc(N(C)C)cc1 ZINC000120913739 1053640579 /nfs/dbraw/zinc/64/05/79/1053640579.db2.gz PEVUASLAMZCUIU-OAQYLSRUSA-N 1 1 343.490 4.194 20 10 EICDMO Cc1cc(C[N@H+](CC(=O)OC(C)(C)C)CC(C)(C)C)ccc1N(C)C ZINC001196357350 1053649920 /nfs/dbraw/zinc/64/99/20/1053649920.db2.gz LFRSYAMVWSRSDZ-UHFFFAOYSA-N 1 1 348.531 4.251 20 10 EICDMO Cc1cc(C[N@@H+](CC(=O)OC(C)(C)C)CC(C)(C)C)ccc1N(C)C ZINC001196357350 1053649927 /nfs/dbraw/zinc/64/99/27/1053649927.db2.gz LFRSYAMVWSRSDZ-UHFFFAOYSA-N 1 1 348.531 4.251 20 10 EICDMO COc1cc(O)c(C[N@@H+](Cc2ccc(C)c(C)c2)C2CC2)cc1OC ZINC000775715986 1053669892 /nfs/dbraw/zinc/66/98/92/1053669892.db2.gz NTHMBLZJBGDDDH-UHFFFAOYSA-N 1 1 341.451 4.191 20 10 EICDMO Cc1cc(Cl)cc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1O ZINC000775724409 1053691043 /nfs/dbraw/zinc/69/10/43/1053691043.db2.gz CKXABJRLCJYQKG-MLGOLLRUSA-N 1 1 337.872 4.378 20 10 EICDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1O ZINC000775724409 1053691054 /nfs/dbraw/zinc/69/10/54/1053691054.db2.gz CKXABJRLCJYQKG-MLGOLLRUSA-N 1 1 337.872 4.378 20 10 EICDMO C[C@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1cc(F)cc(F)c1O ZINC000866482236 1053746519 /nfs/dbraw/zinc/74/65/19/1053746519.db2.gz VYNWWAQSIJNVTI-LRDDRELGSA-N 1 1 325.399 4.060 20 10 EICDMO C[C@@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1cc(F)cc(F)c1O ZINC000866482237 1053748017 /nfs/dbraw/zinc/74/80/17/1053748017.db2.gz VYNWWAQSIJNVTI-MLGOLLRUSA-N 1 1 325.399 4.060 20 10 EICDMO C[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1cccc(C(F)(F)F)c1O ZINC000854228183 1053786555 /nfs/dbraw/zinc/78/65/55/1053786555.db2.gz ZKFXSEXUWSCQRE-QFYYESIMSA-N 1 1 336.357 4.331 20 10 EICDMO C[C@H]([NH2+]Cc1ncc(Br)s1)c1ccc(Cl)cc1O ZINC000866619590 1053809213 /nfs/dbraw/zinc/80/92/13/1053809213.db2.gz FOTIUMCVAYDAEA-ZETCQYMHSA-N 1 1 347.665 4.115 20 10 EICDMO CSc1cccc(-n2c(C)cc(C(=O)Cn3cc[nH+]c3C)c2C)c1 ZINC000776859327 1054010981 /nfs/dbraw/zinc/01/09/81/1054010981.db2.gz VKHYAYWHCAWLHM-UHFFFAOYSA-N 1 1 339.464 4.204 20 10 EICDMO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872022551 1054337382 /nfs/dbraw/zinc/33/73/82/1054337382.db2.gz JPMZZKCHPXMLJW-AWEZNQCLSA-N 1 1 343.402 4.185 20 10 EICDMO CCC(CC)[C@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)N1CCCC1 ZINC001199144941 1054350686 /nfs/dbraw/zinc/35/06/86/1054350686.db2.gz ZQLSKGYJFKZGAC-DYYZXQNHSA-N 1 1 343.559 4.256 20 10 EICDMO C[C@@H]1C[C@@H](C)C[NH+](CCCNCc2ccc(N3CCCCC3)cc2)C1 ZINC001199329191 1054393339 /nfs/dbraw/zinc/39/33/39/1054393339.db2.gz PIDLSDGQBVUVHR-WOJBJXKFSA-N 1 1 343.559 4.135 20 10 EICDMO C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ccc(C(F)(F)F)nc1 ZINC000872130736 1054405659 /nfs/dbraw/zinc/40/56/59/1054405659.db2.gz LJEXLGGXGBEMEH-IUCAKERBSA-N 1 1 346.299 4.496 20 10 EICDMO CC[C@@](C)([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1nc(C)cs1 ZINC000858145544 1054425356 /nfs/dbraw/zinc/42/53/56/1054425356.db2.gz XVLPHJZJAUHELZ-QGZVFWFLSA-N 1 1 339.455 4.211 20 10 EICDMO C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1cccc(F)c1F ZINC000858154219 1054427269 /nfs/dbraw/zinc/42/72/69/1054427269.db2.gz AQIDHGPDGBFVEV-JTQLQIEISA-N 1 1 326.337 4.160 20 10 EICDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000776014379 1054439923 /nfs/dbraw/zinc/43/99/23/1054439923.db2.gz PGLMBFNOZPNFOV-LJQANCHMSA-N 1 1 329.827 4.067 20 10 EICDMO CCOc1cccc(C[N@H+]2CCC[C@H]2c2cccc(OC)c2)c1O ZINC000124230555 1054459583 /nfs/dbraw/zinc/45/95/83/1054459583.db2.gz WYDUBWHVEQXYJA-SFHVURJKSA-N 1 1 327.424 4.137 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+]CCc2ccccc2C)c1 ZINC001200978814 1054594628 /nfs/dbraw/zinc/59/46/28/1054594628.db2.gz GUCKPLDHYLXUPB-UHFFFAOYSA-N 1 1 334.257 4.104 20 10 EICDMO CCOc1cccc(CNc2ccc([NH+]3CCCC3)cc2C)c1O ZINC000121560638 1054612236 /nfs/dbraw/zinc/61/22/36/1054612236.db2.gz COAYUZCZLPOJRX-UHFFFAOYSA-N 1 1 326.440 4.312 20 10 EICDMO Cc1cc(O)c(C[N@@H+](Cc2ccco2)C2CCN(C)CC2)cc1Cl ZINC000825935418 1055021759 /nfs/dbraw/zinc/02/17/59/1055021759.db2.gz SPQPTXVHPLOHHI-UHFFFAOYSA-N 1 1 348.874 4.043 20 10 EICDMO Cc1cc(O)c(C[N@H+](Cc2ccco2)C2CCN(C)CC2)cc1Cl ZINC000825935418 1055021775 /nfs/dbraw/zinc/02/17/75/1055021775.db2.gz SPQPTXVHPLOHHI-UHFFFAOYSA-N 1 1 348.874 4.043 20 10 EICDMO Cc1cc(C[N@@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)ncn1 ZINC000794452277 1055123659 /nfs/dbraw/zinc/12/36/59/1055123659.db2.gz ANZRHEWKIILBBB-KRWDZBQOSA-N 1 1 333.435 4.254 20 10 EICDMO Oc1ccccc1C[N@H+]1CC[C@H](c2ccc(Br)cc2)C1 ZINC001203556569 1055199375 /nfs/dbraw/zinc/19/93/75/1055199375.db2.gz UMAOEUNJCTWKTK-AWEZNQCLSA-N 1 1 332.241 4.144 20 10 EICDMO C[C@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)c1cncs1 ZINC000903309112 1055572165 /nfs/dbraw/zinc/57/21/65/1055572165.db2.gz CYMWBBDEVLILPM-YUMQZZPRSA-N 1 1 345.237 4.162 20 10 EICDMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000742163581 1058527068 /nfs/dbraw/zinc/52/70/68/1058527068.db2.gz SPBGYVWAMGTCQY-QFIPXVFZSA-N 1 1 333.431 4.427 20 10 EICDMO COc1ccc2ccc(O)c(C[N@@H+](C)CCc3cccs3)c2c1 ZINC000743382762 1058962986 /nfs/dbraw/zinc/96/29/86/1058962986.db2.gz SYRSCWKTGSEVQX-UHFFFAOYSA-N 1 1 327.449 4.290 20 10 EICDMO CC[NH+](CC)C[C@@H]1CCN(Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000743388155 1058970978 /nfs/dbraw/zinc/97/09/78/1058970978.db2.gz NSXMOQRYDACZBX-KRWDZBQOSA-N 1 1 332.532 4.162 20 10 EICDMO CN(C)c1ccccc1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000743839416 1059140505 /nfs/dbraw/zinc/14/05/05/1059140505.db2.gz WAJPRYUQDAVFBY-UHFFFAOYSA-N 1 1 337.511 4.375 20 10 EICDMO Cc1cc(C[N@H+]2C[C@@H](C)O[C@H](C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000744445037 1059505800 /nfs/dbraw/zinc/50/58/00/1059505800.db2.gz SISKXPILLOWNAO-DOMZBBRYSA-N 1 1 345.405 4.150 20 10 EICDMO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@H](C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000744445037 1059505831 /nfs/dbraw/zinc/50/58/31/1059505831.db2.gz SISKXPILLOWNAO-DOMZBBRYSA-N 1 1 345.405 4.150 20 10 EICDMO CC[N@@H+](Cc1ccccc1O)Cc1ccc(F)cc1Br ZINC001137550615 1059970423 /nfs/dbraw/zinc/97/04/23/1059970423.db2.gz ZRGRKVWCKQSOAN-UHFFFAOYSA-N 1 1 338.220 4.316 20 10 EICDMO CCCC[N@@H+](CC(=O)N(C(C)C)C1CCCC1)Cc1ccccc1O ZINC001169754337 1060942725 /nfs/dbraw/zinc/94/27/25/1060942725.db2.gz KKGNFPVRBSPJBY-UHFFFAOYSA-N 1 1 346.515 4.174 20 10 EICDMO COc1ccc(N2CCC[N@@H+](CCCCc3ccccc3)CC2)cc1 ZINC001167107670 1020184543 /nfs/dbraw/zinc/18/45/43/1020184543.db2.gz FZSBDRNHRGUJFZ-UHFFFAOYSA-N 1 1 338.495 4.230 20 10 EICDMO Cc1cc(F)ccc1[C@@H](O)C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC001167108797 1020186253 /nfs/dbraw/zinc/18/62/53/1020186253.db2.gz UUWYIISIPBSHJV-NRFANRHFSA-N 1 1 344.474 4.144 20 10 EICDMO COc1ccc(N2CCC[N@@H+](Cc3ccccc3C3CC3)CC2)cc1 ZINC001167109007 1020187440 /nfs/dbraw/zinc/18/74/40/1020187440.db2.gz XBPTVBBSLMNPDU-UHFFFAOYSA-N 1 1 336.479 4.285 20 10 EICDMO CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1)c1ccccc1O ZINC000155384349 1020561863 /nfs/dbraw/zinc/56/18/63/1020561863.db2.gz MGGHOJKQDMHZJJ-FQEVSTJZSA-N 1 1 326.484 4.473 20 10 EICDMO CCC(CC)[N@@H+](CCOC)Cc1cc(Br)cc(C)c1O ZINC000167138018 1021761581 /nfs/dbraw/zinc/76/15/81/1021761581.db2.gz ZIXPIKARQGOGCR-UHFFFAOYSA-N 1 1 344.293 4.100 20 10 EICDMO C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cc(Cl)c(Cl)cc1[O-] ZINC000278822718 1022361541 /nfs/dbraw/zinc/36/15/41/1022361541.db2.gz SQVGXPQRBOEOPX-SDBXPKJASA-N 1 1 326.227 4.150 20 10 EICDMO C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cc(Cl)c(Cl)cc1O ZINC000278822718 1022361550 /nfs/dbraw/zinc/36/15/50/1022361550.db2.gz SQVGXPQRBOEOPX-SDBXPKJASA-N 1 1 326.227 4.150 20 10 EICDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000180529905 1022506626 /nfs/dbraw/zinc/50/66/26/1022506626.db2.gz WVUKEHHVYLLTAZ-OAHLLOKOSA-N 1 1 329.465 4.015 20 10 EICDMO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000310901394 1022572838 /nfs/dbraw/zinc/57/28/38/1022572838.db2.gz MVAMSXCFCWQUQB-UYAOXDASSA-N 1 1 338.495 4.263 20 10 EICDMO Cc1ccc([C@H](C)[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)c(O)c1 ZINC000363856764 1022860629 /nfs/dbraw/zinc/86/06/29/1022860629.db2.gz BSSWIQBKFFSWNZ-VBKZILBWSA-N 1 1 339.414 4.013 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)c1O ZINC001167707644 1022990698 /nfs/dbraw/zinc/99/06/98/1022990698.db2.gz AVLODEJCLGSDIL-FQEVSTJZSA-N 1 1 339.410 4.386 20 10 EICDMO CN(c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1)C1CCCCC1 ZINC000166382874 1023099587 /nfs/dbraw/zinc/09/95/87/1023099587.db2.gz CYFTWDCVXARCJW-SIKLNZKXSA-N 1 1 341.543 4.172 20 10 EICDMO CN(c1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1)C1CCCCC1 ZINC000166382874 1023099597 /nfs/dbraw/zinc/09/95/97/1023099597.db2.gz CYFTWDCVXARCJW-SIKLNZKXSA-N 1 1 341.543 4.172 20 10 EICDMO C[N@@H+](CCc1nccs1)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000157166025 1023249353 /nfs/dbraw/zinc/24/93/53/1023249353.db2.gz RRBFYXSQGQZYQK-UHFFFAOYSA-N 1 1 342.464 4.148 20 10 EICDMO CN(c1ccc(C[NH2+]Cc2nccn2C2CC2)cc1)C1CCCCC1 ZINC000892741385 1023358453 /nfs/dbraw/zinc/35/84/53/1023358453.db2.gz AEPNZCASRSMYQB-UHFFFAOYSA-N 1 1 338.499 4.277 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+](C)Cc2cccs2)c1 ZINC000781895558 1023376804 /nfs/dbraw/zinc/37/68/04/1023376804.db2.gz VEYGUYHMPBALIZ-UHFFFAOYSA-N 1 1 326.259 4.157 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@@H+](C)Cc2cccs2)c1 ZINC000781895558 1023376814 /nfs/dbraw/zinc/37/68/14/1023376814.db2.gz VEYGUYHMPBALIZ-UHFFFAOYSA-N 1 1 326.259 4.157 20 10 EICDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cc(F)c(F)cc1OC ZINC001143403011 1023854530 /nfs/dbraw/zinc/85/45/30/1023854530.db2.gz TWDIMPIFGWOLTF-UHFFFAOYSA-N 1 1 334.410 4.062 20 10 EICDMO CC1(C)CC(NCc2ccc(N3CCCCC3)cc2)CC(C)(C)[NH2+]1 ZINC000236739056 1024339465 /nfs/dbraw/zinc/33/94/65/1024339465.db2.gz DDEAUYUNFXKGTD-UHFFFAOYSA-N 1 1 329.532 4.076 20 10 EICDMO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(N(C)CC)cc2)[nH]1 ZINC000277256321 1025406633 /nfs/dbraw/zinc/40/66/33/1025406633.db2.gz OLMXYEPXSBKCCE-KKUMJFAQSA-N 1 1 329.492 4.186 20 10 EICDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(N(C)CC)cc2)[nH]1 ZINC000277256323 1025407157 /nfs/dbraw/zinc/40/71/57/1025407157.db2.gz OLMXYEPXSBKCCE-RRFJBIMHSA-N 1 1 329.492 4.186 20 10 EICDMO C[C@@H]([NH2+]Cc1csc(C(F)(F)F)n1)c1ccc(N(C)C)cc1 ZINC000893683540 1026336669 /nfs/dbraw/zinc/33/66/69/1026336669.db2.gz JGWAZTDQAIRCEG-SNVBAGLBSA-N 1 1 329.391 4.079 20 10 EICDMO CC[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1ccc(F)cc1O ZINC000796663405 1027407026 /nfs/dbraw/zinc/40/70/26/1027407026.db2.gz MDXFNHGEDSRDCN-ROUUACIJSA-N 1 1 334.410 4.014 20 10 EICDMO COc1ccc(C[N@@H+](C(C)C)[C@@H](C)c2ccsc2)c(O)c1OC ZINC000894976645 1027649663 /nfs/dbraw/zinc/64/96/63/1027649663.db2.gz DKQFKMPVLFKZFN-ZDUSSCGKSA-N 1 1 335.469 4.443 20 10 EICDMO COc1ccc(C[N@@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)cc1C ZINC000728559748 1028424625 /nfs/dbraw/zinc/42/46/25/1028424625.db2.gz HTUMRWGGARJKFD-UHFFFAOYSA-N 1 1 343.467 4.344 20 10 EICDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2c(O)ccc3ccncc32)cc1 ZINC000021968732 1029028055 /nfs/dbraw/zinc/02/80/55/1029028055.db2.gz QCYGVQTZWBKBTA-FQEVSTJZSA-N 1 1 334.419 4.286 20 10 EICDMO C[C@@H](c1nnc(-c2cccc(F)c2)s1)[N@H+](C)Cc1ccccc1O ZINC000367304272 1029225873 /nfs/dbraw/zinc/22/58/73/1029225873.db2.gz BIJFFIXSWNJZFF-LBPRGKRZSA-N 1 1 343.427 4.243 20 10 EICDMO C[C@@H](c1nnc(-c2cccc(F)c2)s1)[N@@H+](C)Cc1ccccc1O ZINC000367304272 1029225890 /nfs/dbraw/zinc/22/58/90/1029225890.db2.gz BIJFFIXSWNJZFF-LBPRGKRZSA-N 1 1 343.427 4.243 20 10 EICDMO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000167932651 1029626483 /nfs/dbraw/zinc/62/64/83/1029626483.db2.gz WKJOSKBXYOORTC-CRAIPNDOSA-N 1 1 341.503 4.043 20 10 EICDMO C[C@H](Nc1cc[nH+]c2ccsc21)c1ccc(N2CCOCC2)cc1 ZINC000301384440 1029722177 /nfs/dbraw/zinc/72/21/77/1029722177.db2.gz WIVBOZOLHVICHX-AWEZNQCLSA-N 1 1 339.464 4.306 20 10 EICDMO C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000278733243 1029746520 /nfs/dbraw/zinc/74/65/20/1029746520.db2.gz MYRAFNJPOKVIJY-GHMZBOCLSA-N 1 1 330.255 4.451 20 10 EICDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000184811964 1030093330 /nfs/dbraw/zinc/09/33/30/1030093330.db2.gz GJGGTWXUDHXPNQ-QFIPXVFZSA-N 1 1 331.415 4.177 20 10 EICDMO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccc(N(C)C)cc1 ZINC000186060076 1030243672 /nfs/dbraw/zinc/24/36/72/1030243672.db2.gz ORIQHYGHUJXQIF-MRXNPFEDSA-N 1 1 332.451 4.060 20 10 EICDMO COc1ccc(C(C)(C)[NH2+]Cc2c(O)ccc(Cl)c2F)cc1F ZINC000527782073 1030846459 /nfs/dbraw/zinc/84/64/59/1030846459.db2.gz RWDPXJSQMNQTGY-UHFFFAOYSA-N 1 1 341.785 4.357 20 10 EICDMO C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000310905351 1031095147 /nfs/dbraw/zinc/09/51/47/1031095147.db2.gz BUFPZXDHOOSJSS-BQFCYCMXSA-N 1 1 342.458 4.093 20 10 EICDMO CCCCCn1cc(C[NH2+][C@@H](CC)c2ccc(F)cc2O)c(C)n1 ZINC000796852553 1031123226 /nfs/dbraw/zinc/12/32/26/1031123226.db2.gz IVJPGASHCVXDBY-SFHVURJKSA-N 1 1 333.451 4.467 20 10 EICDMO CC[C@@H]([NH2+][C@H]1CCOc2c(OC)cccc21)c1ccc(F)cc1O ZINC000375842845 1031344951 /nfs/dbraw/zinc/34/49/51/1031344951.db2.gz WXFBOCYCSOCZFL-CVEARBPZSA-N 1 1 331.387 4.104 20 10 EICDMO CCCO[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000177152919 1031357494 /nfs/dbraw/zinc/35/74/94/1031357494.db2.gz GDISDVIEIGXJLI-MRXNPFEDSA-N 1 1 339.863 4.029 20 10 EICDMO CCCO[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000177152919 1031357510 /nfs/dbraw/zinc/35/75/10/1031357510.db2.gz GDISDVIEIGXJLI-MRXNPFEDSA-N 1 1 339.863 4.029 20 10 EICDMO CC[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccccc1)c1ccc(F)cc1O ZINC000375894738 1031449312 /nfs/dbraw/zinc/44/93/12/1031449312.db2.gz GIGKBOCRSAWERB-QUCCMNQESA-N 1 1 339.414 4.095 20 10 EICDMO CC[C@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)c1ccc(F)cc1O ZINC000375894657 1031450184 /nfs/dbraw/zinc/45/01/84/1031450184.db2.gz GALKLFQVOPCKPP-IBGZPJMESA-N 1 1 339.414 4.173 20 10 EICDMO COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)c1O ZINC000761195173 1036020547 /nfs/dbraw/zinc/02/05/47/1036020547.db2.gz IAKXSEMJXNNVRZ-SCLBCKFNSA-N 1 1 347.842 4.016 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)c1O ZINC000761195173 1036020566 /nfs/dbraw/zinc/02/05/66/1036020566.db2.gz IAKXSEMJXNNVRZ-SCLBCKFNSA-N 1 1 347.842 4.016 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)Cc1cc(Cl)cc(OC)c1O ZINC000761195217 1036021002 /nfs/dbraw/zinc/02/10/02/1036021002.db2.gz JOYQNSXEPHECAG-UHFFFAOYSA-N 1 1 335.831 4.172 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c1O ZINC000761202800 1036027665 /nfs/dbraw/zinc/02/76/65/1036027665.db2.gz MLLLYZNVUIWAJW-QGZVFWFLSA-N 1 1 346.858 4.131 20 10 EICDMO Cc1cc(C)c(O)c(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000164344036 1036069656 /nfs/dbraw/zinc/06/96/56/1036069656.db2.gz KQYRWJLMQZAAKQ-UHFFFAOYSA-N 1 1 341.295 4.326 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2C[C@H](C(F)(F)F)CC[C@@H]2C)c1O ZINC000761217452 1036171903 /nfs/dbraw/zinc/17/19/03/1036171903.db2.gz VMHIRYSYGIBKGJ-GXSJLCMTSA-N 1 1 337.769 4.217 20 10 EICDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CC1(Cl)Cl ZINC000838528315 1036846918 /nfs/dbraw/zinc/84/69/18/1036846918.db2.gz CUWCWGSGDYPXOP-HNNXBMFYSA-N 1 1 327.299 4.303 20 10 EICDMO C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc2ccccc2c1[O-] ZINC000323834274 1036901229 /nfs/dbraw/zinc/90/12/29/1036901229.db2.gz BRQVOEZXUDENEL-KRWDZBQOSA-N 1 1 326.484 4.318 20 10 EICDMO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](c2nccn2C)c2ccc(F)cc2)c1 ZINC000273419025 1037461450 /nfs/dbraw/zinc/46/14/50/1037461450.db2.gz ROVXDHCJJNMCSH-AUUYWEPGSA-N 1 1 339.414 4.013 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000174374542 1038922846 /nfs/dbraw/zinc/92/28/46/1038922846.db2.gz XZRLZMPJYGTLEA-ZDUSSCGKSA-N 1 1 343.452 4.477 20 10 EICDMO C[C@H](CNCc1ccc(N2CCCCC2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000727643654 1043255706 /nfs/dbraw/zinc/25/57/06/1043255706.db2.gz BCZZHMPJYMETDS-RBUKOAKNSA-N 1 1 329.532 4.029 20 10 EICDMO C[C@H](CNCc1ccc(N2CCCCC2)cc1)[N@H+]1CCCC[C@@H]1C ZINC000727643654 1043255708 /nfs/dbraw/zinc/25/57/08/1043255708.db2.gz BCZZHMPJYMETDS-RBUKOAKNSA-N 1 1 329.532 4.029 20 10 EICDMO CN1CCC[C@H](C[NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC000731041503 1043681426 /nfs/dbraw/zinc/68/14/26/1043681426.db2.gz CPMCZTAMEKJWEF-MRXNPFEDSA-N 1 1 346.559 4.419 20 10 EICDMO COc1cc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000766119651 1044237902 /nfs/dbraw/zinc/23/79/02/1044237902.db2.gz QOIJXJNSZINQIM-LBPRGKRZSA-N 1 1 345.405 4.473 20 10 EICDMO Cc1ccccc1C[C@H]1CCC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000734143825 1044503171 /nfs/dbraw/zinc/50/31/71/1044503171.db2.gz HYEBHLVYMQFQMW-LJQANCHMSA-N 1 1 332.447 4.456 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)c1O ZINC000766211677 1044643328 /nfs/dbraw/zinc/64/33/28/1044643328.db2.gz LXXZPKFSBAGTME-GFCCVEGCSA-N 1 1 347.842 4.017 20 10 EICDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)c1O ZINC000766211677 1044643331 /nfs/dbraw/zinc/64/33/31/1044643331.db2.gz LXXZPKFSBAGTME-GFCCVEGCSA-N 1 1 347.842 4.017 20 10 EICDMO CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1cc(F)ccc1OC ZINC000922618403 1044851435 /nfs/dbraw/zinc/85/14/35/1044851435.db2.gz MFJBWAVWBQTXAK-OAHLLOKOSA-N 1 1 325.330 4.059 20 10 EICDMO CCCn1ccnc1CCC[N@@H+](C)Cc1cc(C(C)C)c(C)cc1O ZINC000762072432 1044889129 /nfs/dbraw/zinc/88/91/29/1044889129.db2.gz BWAGDBXLTRZUTF-UHFFFAOYSA-N 1 1 343.515 4.495 20 10 EICDMO Oc1ccc2ccncc2c1C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000738066839 1045031606 /nfs/dbraw/zinc/03/16/06/1045031606.db2.gz OMGHJWXALPLEKS-IBGZPJMESA-N 1 1 336.460 4.231 20 10 EICDMO CCc1cc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)c(O)c(C(C)(C)C)c1 ZINC000738158667 1045038853 /nfs/dbraw/zinc/03/88/53/1045038853.db2.gz OSSYSPPQONBZOW-GOSISDBHSA-N 1 1 341.499 4.286 20 10 EICDMO Cc1cc(C[N@H+]2CCC[C@H]2CN2CCCC2)c(O)c(C(C)(C)C)c1 ZINC000738104611 1045040536 /nfs/dbraw/zinc/04/05/36/1045040536.db2.gz MLKSTBDLUYWGHA-SFHVURJKSA-N 1 1 330.516 4.058 20 10 EICDMO Cc1cc(CN2CCC[C@H]2C[NH+]2CCCC2)c(O)c(C(C)(C)C)c1 ZINC000738104611 1045040549 /nfs/dbraw/zinc/04/05/49/1045040549.db2.gz MLKSTBDLUYWGHA-SFHVURJKSA-N 1 1 330.516 4.058 20 10 EICDMO Cc1cc(O)c(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1C ZINC000738107828 1045042305 /nfs/dbraw/zinc/04/23/05/1045042305.db2.gz OQKFPQSDIKYFEG-RBUKOAKNSA-N 1 1 330.516 4.095 20 10 EICDMO Cc1cc(O)c(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1C ZINC000738107828 1045042317 /nfs/dbraw/zinc/04/23/17/1045042317.db2.gz OQKFPQSDIKYFEG-RBUKOAKNSA-N 1 1 330.516 4.095 20 10 EICDMO COc1ccc(C[NH2+]CC(C)(C)N[C@@H](C)c2ccccc2)cc1C ZINC000740005441 1045174080 /nfs/dbraw/zinc/17/40/80/1045174080.db2.gz CHYKUSOUAQHIBN-KRWDZBQOSA-N 1 1 326.484 4.223 20 10 EICDMO CCC[N@@H+](Cc1ccc(Oc2ccccc2)nn1)Cc1ccccc1O ZINC000766251534 1045196148 /nfs/dbraw/zinc/19/61/48/1045196148.db2.gz UPZHDHDFYHHGOD-UHFFFAOYSA-N 1 1 349.434 4.387 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCc1nc2ccccc2s1 ZINC000790946437 1045632322 /nfs/dbraw/zinc/63/23/22/1045632322.db2.gz AXEOPBNSMMQMHU-UHFFFAOYSA-N 1 1 336.819 4.127 20 10 EICDMO CCc1cccc2c1OCC[C@H]2[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790959472 1045637732 /nfs/dbraw/zinc/63/77/32/1045637732.db2.gz GBGHNADDHWCNJJ-OAHLLOKOSA-N 1 1 335.806 4.361 20 10 EICDMO CN(C)c1ncc(C[N@@H+](Cc2ccccc2O)C2CCCCC2)s1 ZINC000768134309 1045723233 /nfs/dbraw/zinc/72/32/33/1045723233.db2.gz SAWNGLGMFSVVRL-UHFFFAOYSA-N 1 1 345.512 4.250 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1cnn2ccccc12)C1CCCCC1 ZINC000768134787 1045724618 /nfs/dbraw/zinc/72/46/18/1045724618.db2.gz UUETVCGCOMFFBT-UHFFFAOYSA-N 1 1 335.451 4.375 20 10 EICDMO CC[N@@H+](Cc1c[nH]nc1-c1cccs1)Cc1ccc(N(C)C)cc1 ZINC000768133959 1045724998 /nfs/dbraw/zinc/72/49/98/1045724998.db2.gz NLSAEXLANRVYPS-UHFFFAOYSA-N 1 1 340.496 4.226 20 10 EICDMO Oc1ccccc1C[N@@H+](C[C@H]1C[C@H]1c1ccccc1)C[C@@H]1CCCO1 ZINC000768162528 1045728247 /nfs/dbraw/zinc/72/82/47/1045728247.db2.gz NXEMXSXSBBPKFP-HKBOAZHASA-N 1 1 337.463 4.177 20 10 EICDMO COc1cccc(C[N@@H+](Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)c1O ZINC000768256336 1045768359 /nfs/dbraw/zinc/76/83/59/1045768359.db2.gz CLKZQTJGTWZLSV-DYVFJYSZSA-N 1 1 327.424 4.282 20 10 EICDMO C[C@H](CC(F)(F)F)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000768270946 1045771224 /nfs/dbraw/zinc/77/12/24/1045771224.db2.gz GPDRNTHAVQPLHF-RNFRBKRXSA-N 1 1 344.146 4.285 20 10 EICDMO Cc1cc(O)c(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1C ZINC000768334245 1045788915 /nfs/dbraw/zinc/78/89/15/1045788915.db2.gz OLOQXTBYQYZQNO-UHFFFAOYSA-N 1 1 326.396 4.082 20 10 EICDMO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000768373373 1045800835 /nfs/dbraw/zinc/80/08/35/1045800835.db2.gz DXPSIKAOHMCNAO-IBGZPJMESA-N 1 1 347.842 4.018 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000768373373 1045800839 /nfs/dbraw/zinc/80/08/39/1045800839.db2.gz DXPSIKAOHMCNAO-IBGZPJMESA-N 1 1 347.842 4.018 20 10 EICDMO COc1cc(O)c(C[N@@H+](Cc2ccccc2)[C@@H](C)C2CC2)cc1OC ZINC000768439860 1045807592 /nfs/dbraw/zinc/80/75/92/1045807592.db2.gz ODHNNHGNEVMJKB-HNNXBMFYSA-N 1 1 341.451 4.210 20 10 EICDMO COc1cc(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)c(O)cc1C ZINC000768443577 1045807649 /nfs/dbraw/zinc/80/76/49/1045807649.db2.gz STWNHWOZXPMPEB-UHFFFAOYSA-N 1 1 333.378 4.152 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000768440896 1045807857 /nfs/dbraw/zinc/80/78/57/1045807857.db2.gz HMDOAKXQJABUKJ-MRXNPFEDSA-N 1 1 347.842 4.400 20 10 EICDMO Cc1cc(C)c(O)c(C[N@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)c1 ZINC000763336149 1045828151 /nfs/dbraw/zinc/82/81/51/1045828151.db2.gz PKCNEKCXJYUBDP-LJQANCHMSA-N 1 1 329.415 4.030 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1ccsc1Cl)C[C@@H]1CCCO1 ZINC000792156443 1045867829 /nfs/dbraw/zinc/86/78/29/1045867829.db2.gz FPTLDARRFBEEOG-HNNXBMFYSA-N 1 1 337.872 4.288 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1ccsc1Cl)C[C@@H]1CCCO1 ZINC000792156443 1045867832 /nfs/dbraw/zinc/86/78/32/1045867832.db2.gz FPTLDARRFBEEOG-HNNXBMFYSA-N 1 1 337.872 4.288 20 10 EICDMO COc1ccccc1[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792166078 1045871756 /nfs/dbraw/zinc/87/17/56/1045871756.db2.gz OWIUFNFKKVVQTP-GFCCVEGCSA-N 1 1 335.806 4.183 20 10 EICDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792166078 1045871761 /nfs/dbraw/zinc/87/17/61/1045871761.db2.gz OWIUFNFKKVVQTP-GFCCVEGCSA-N 1 1 335.806 4.183 20 10 EICDMO Oc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(Br)c2O)cc1 ZINC000769107589 1045879910 /nfs/dbraw/zinc/87/99/10/1045879910.db2.gz YOUGIVAFHOHFBW-INIZCTEOSA-N 1 1 348.240 4.197 20 10 EICDMO Oc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(Br)c2O)cc1 ZINC000769107589 1045879917 /nfs/dbraw/zinc/87/99/17/1045879917.db2.gz YOUGIVAFHOHFBW-INIZCTEOSA-N 1 1 348.240 4.197 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c1O ZINC000792354114 1045891093 /nfs/dbraw/zinc/89/10/93/1045891093.db2.gz GBEPGFVBACAOON-AWEZNQCLSA-N 1 1 347.352 4.144 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c1O ZINC000792354114 1045891099 /nfs/dbraw/zinc/89/10/99/1045891099.db2.gz GBEPGFVBACAOON-AWEZNQCLSA-N 1 1 347.352 4.144 20 10 EICDMO Cc1ccc(O)c(C[N@@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000769211780 1045895429 /nfs/dbraw/zinc/89/54/29/1045895429.db2.gz MHOCLXLBEWKOQN-RXVVDRJESA-N 1 1 325.452 4.300 20 10 EICDMO COc1cccc(C[N@@H+]2CCCC[C@H]2c2ccccc2OC)c1O ZINC000769333178 1045927152 /nfs/dbraw/zinc/92/71/52/1045927152.db2.gz FYNYXRJVJVORQY-KRWDZBQOSA-N 1 1 327.424 4.137 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)c1 ZINC000769461279 1045982333 /nfs/dbraw/zinc/98/23/33/1045982333.db2.gz UVQZTWCZFUNJEK-HXUWFJFHSA-N 1 1 340.467 4.194 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000769519339 1046006023 /nfs/dbraw/zinc/00/60/23/1046006023.db2.gz REXADKGOQJKASF-FQEVSTJZSA-N 1 1 337.463 4.308 20 10 EICDMO CCOc1cccc(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c1O ZINC000769532686 1046010788 /nfs/dbraw/zinc/01/07/88/1046010788.db2.gz JZUCXMYQNGXZEL-OAHLLOKOSA-N 1 1 347.842 4.098 20 10 EICDMO CCSCC[C@H](C)[N@@H+](C)Cc1cc(Br)ccc1O ZINC000769552086 1046019753 /nfs/dbraw/zinc/01/97/53/1046019753.db2.gz ZHPJSISDDMAQEY-NSHDSACASA-N 1 1 332.307 4.118 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)CCC2CCOCC2)c(C(F)(F)F)c1 ZINC000792830500 1046072866 /nfs/dbraw/zinc/07/28/66/1046072866.db2.gz ZUVLWHZMFVDPOQ-UHFFFAOYSA-N 1 1 344.421 4.020 20 10 EICDMO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1nccs1 ZINC000792992225 1046122284 /nfs/dbraw/zinc/12/22/84/1046122284.db2.gz NLMBEBUXSBFNKB-CQSZACIVSA-N 1 1 343.418 4.469 20 10 EICDMO CCCN(CCC)c1ccc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000770279177 1046167447 /nfs/dbraw/zinc/16/74/47/1046167447.db2.gz GFIQKRNJDHDJJP-VQTJNVASSA-N 1 1 348.556 4.019 20 10 EICDMO COc1cc(O)c(C[N@H+]2CC[C@@H](c3ccc(C)cc3C)C2)cc1OC ZINC000793231451 1046177276 /nfs/dbraw/zinc/17/72/76/1046177276.db2.gz CRJRXQGALMXGLG-MRXNPFEDSA-N 1 1 341.451 4.016 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000770320655 1046179279 /nfs/dbraw/zinc/17/92/79/1046179279.db2.gz DVLJVJIUOIELQN-VQTJNVASSA-N 1 1 342.483 4.214 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000770372668 1046185642 /nfs/dbraw/zinc/18/56/42/1046185642.db2.gz FCANCUDTVJDELP-PMACEKPBSA-N 1 1 337.463 4.308 20 10 EICDMO CC[C@H]([NH2+]Cc1cccnc1OC1CCCC1)c1ccc(F)cc1O ZINC000796697923 1046330747 /nfs/dbraw/zinc/33/07/47/1046330747.db2.gz ZSLMARDSSMLQON-SFHVURJKSA-N 1 1 344.430 4.489 20 10 EICDMO CC[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC[C@@H]1c1ccccc1 ZINC000746383165 1046336442 /nfs/dbraw/zinc/33/64/42/1046336442.db2.gz QTXWBSQDYHKFSZ-YJBOKZPZSA-N 1 1 339.435 4.137 20 10 EICDMO CN(C)c1ccc(C[N@H+](CC(=O)c2c[nH]c3ccccc23)C2CC2)cc1 ZINC000771792452 1046491890 /nfs/dbraw/zinc/49/18/90/1046491890.db2.gz ZBLSGTBCKRSAEO-UHFFFAOYSA-N 1 1 347.462 4.081 20 10 EICDMO CN(C)c1ccc(C[N@@H+](CC(=O)c2c[nH]c3ccccc23)C2CC2)cc1 ZINC000771792452 1046491898 /nfs/dbraw/zinc/49/18/98/1046491898.db2.gz ZBLSGTBCKRSAEO-UHFFFAOYSA-N 1 1 347.462 4.081 20 10 EICDMO COc1ccsc1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000771924506 1046518187 /nfs/dbraw/zinc/51/81/87/1046518187.db2.gz KIFUJOLJALSNEG-UHFFFAOYSA-N 1 1 329.421 4.258 20 10 EICDMO COc1ccsc1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000771924506 1046518200 /nfs/dbraw/zinc/51/82/00/1046518200.db2.gz KIFUJOLJALSNEG-UHFFFAOYSA-N 1 1 329.421 4.258 20 10 EICDMO Cc1cccc2ncc(C[N@H+](C)Cc3ccc(N4CCCCC4)cc3)n21 ZINC000771935375 1046528429 /nfs/dbraw/zinc/52/84/29/1046528429.db2.gz PYJZNUXGVJKBMD-UHFFFAOYSA-N 1 1 348.494 4.265 20 10 EICDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000917075487 1046638653 /nfs/dbraw/zinc/63/86/53/1046638653.db2.gz WXLVMLNCVGZNLG-UHFFFAOYSA-N 1 1 327.428 4.071 20 10 EICDMO Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O)N(C)C ZINC000785581421 1046712951 /nfs/dbraw/zinc/71/29/51/1046712951.db2.gz PPQCBXNQOVXQLM-AVYPCKFXSA-N 1 1 330.447 4.182 20 10 EICDMO COc1ccc(N2CCC[N@H+]([C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000917210030 1046807875 /nfs/dbraw/zinc/80/78/75/1046807875.db2.gz BYVDROQUKAZDOR-JOCHJYFZSA-N 1 1 336.479 4.285 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1cc(Cl)cs1)C[C@@H]1CCCO1 ZINC000787047596 1046899791 /nfs/dbraw/zinc/89/97/91/1046899791.db2.gz AMSNRFJUPAMMOA-HNNXBMFYSA-N 1 1 337.872 4.288 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CCO[C@H](c3ccc(Cl)cc3)C1)CCC2 ZINC000917484681 1046905126 /nfs/dbraw/zinc/90/51/26/1046905126.db2.gz WCEKYPOHXCESGK-FQEVSTJZSA-N 1 1 343.854 4.108 20 10 EICDMO CCOc1ccc(C[N@@H+](C)[C@H](COC)c2ccc(Cl)cc2)c(O)c1 ZINC000787331462 1046981028 /nfs/dbraw/zinc/98/10/28/1046981028.db2.gz JZBLVGKDILOWBC-GOSISDBHSA-N 1 1 349.858 4.264 20 10 EICDMO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000805833828 1047026362 /nfs/dbraw/zinc/02/63/62/1047026362.db2.gz AYDALWWQZIAKGQ-SFHVURJKSA-N 1 1 345.414 4.326 20 10 EICDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000805833828 1047026377 /nfs/dbraw/zinc/02/63/77/1047026377.db2.gz AYDALWWQZIAKGQ-SFHVURJKSA-N 1 1 345.414 4.326 20 10 EICDMO CC[C@H]([NH2+][C@H](CN(C)C)c1ccc(F)cc1)c1ccc(F)cc1O ZINC000806173712 1047160872 /nfs/dbraw/zinc/16/08/72/1047160872.db2.gz ZTYKURIYXXTSBV-ZWKOTPCHSA-N 1 1 334.410 4.014 20 10 EICDMO Cc1cc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c(O)c(C(C)(C)C)c1 ZINC000788380346 1047179177 /nfs/dbraw/zinc/17/91/77/1047179177.db2.gz GWYPLYPQFUUWOJ-GOSISDBHSA-N 1 1 340.467 4.046 20 10 EICDMO COc1ccc2ccc(O)c(C[N@H+]3CCSC(C)(C)CC3)c2c1 ZINC000788376263 1047179833 /nfs/dbraw/zinc/17/98/33/1047179833.db2.gz IIHNPVFJRJZFHI-UHFFFAOYSA-N 1 1 331.481 4.272 20 10 EICDMO CCOCCC1(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000788668890 1047268236 /nfs/dbraw/zinc/26/82/36/1047268236.db2.gz BJPMLYNFGYPBGY-GFCCVEGCSA-N 1 1 331.378 4.268 20 10 EICDMO C[C@H]([NH2+]CCC[C@H]1CCCC[C@H]1O)c1cccc(C(F)(F)F)c1O ZINC000788672884 1047270781 /nfs/dbraw/zinc/27/07/81/1047270781.db2.gz SSVZDGDXWCQIEN-WOSRLPQWSA-N 1 1 345.405 4.393 20 10 EICDMO COc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788756172 1047289002 /nfs/dbraw/zinc/28/90/02/1047289002.db2.gz HRVJYPBYDZFGAP-MNOVXSKESA-N 1 1 340.345 4.226 20 10 EICDMO Cc1ccc(O[C@@H]2CCC[N@H+](Cc3cc(F)c(F)cc3O)C2)cc1 ZINC001142520620 1047488615 /nfs/dbraw/zinc/48/86/15/1047488615.db2.gz MGLVNETYBRLQGC-MRXNPFEDSA-N 1 1 333.378 4.022 20 10 EICDMO Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3cc(F)c(F)cc3O)C2)cc1 ZINC001142520620 1047488623 /nfs/dbraw/zinc/48/86/23/1047488623.db2.gz MGLVNETYBRLQGC-MRXNPFEDSA-N 1 1 333.378 4.022 20 10 EICDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)c(F)cc2[O-])cc1OC ZINC001142520073 1047495496 /nfs/dbraw/zinc/49/54/96/1047495496.db2.gz BGBMLFADBZXKPZ-INIZCTEOSA-N 1 1 349.377 4.025 20 10 EICDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)c(F)cc2O)cc1OC ZINC001142520073 1047495503 /nfs/dbraw/zinc/49/55/03/1047495503.db2.gz BGBMLFADBZXKPZ-INIZCTEOSA-N 1 1 349.377 4.025 20 10 EICDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)c(F)cc1O ZINC001142527132 1047524639 /nfs/dbraw/zinc/52/46/39/1047524639.db2.gz LVBYUBMDSDZFQI-UHFFFAOYSA-N 1 1 331.284 4.321 20 10 EICDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)c(F)cc1O ZINC001142527132 1047524664 /nfs/dbraw/zinc/52/46/64/1047524664.db2.gz LVBYUBMDSDZFQI-UHFFFAOYSA-N 1 1 331.284 4.321 20 10 EICDMO CC1(C)C[N@@H+](Cc2c(O)ccc3ccncc32)CC[C@H]1C(F)(F)F ZINC000790460110 1047594045 /nfs/dbraw/zinc/59/40/45/1047594045.db2.gz KZLIMZVJYBBWQY-MRXNPFEDSA-N 1 1 338.373 4.351 20 10 EICDMO Cc1cnccc1C[N@@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000824382749 1047864370 /nfs/dbraw/zinc/86/43/70/1047864370.db2.gz GIWYDGTUVDASEC-UHFFFAOYSA-N 1 1 335.451 4.251 20 10 EICDMO Cc1cnccc1C[N@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000824382749 1047864371 /nfs/dbraw/zinc/86/43/71/1047864371.db2.gz GIWYDGTUVDASEC-UHFFFAOYSA-N 1 1 335.451 4.251 20 10 EICDMO Oc1cc2c(cc1O)C[N@H+]([C@H]1CCc3c(Cl)cccc3C1)CCC2 ZINC001171057003 1047877677 /nfs/dbraw/zinc/87/76/77/1047877677.db2.gz ROCLDGJSNDXRED-INIZCTEOSA-N 1 1 343.854 4.057 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2c3ccccc3O[C@H]2C)c1 ZINC000808444598 1047906033 /nfs/dbraw/zinc/90/60/33/1047906033.db2.gz OUXMLMXBFRSWLU-MEDUHNTESA-N 1 1 348.240 4.075 20 10 EICDMO COc1cc(Cl)cc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)c1O ZINC000825103449 1048026384 /nfs/dbraw/zinc/02/63/84/1048026384.db2.gz FPLRLJWVKDFURB-QGZVFWFLSA-N 1 1 333.815 4.374 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)c1O ZINC000825103449 1048026389 /nfs/dbraw/zinc/02/63/89/1048026389.db2.gz FPLRLJWVKDFURB-QGZVFWFLSA-N 1 1 333.815 4.374 20 10 EICDMO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CO)c2c(F)cccc2F)c1O ZINC000808707567 1048051976 /nfs/dbraw/zinc/05/19/76/1048051976.db2.gz SKPHESCZJASMOT-MEBBXXQBSA-N 1 1 341.785 4.016 20 10 EICDMO Oc1ccccc1C[N@@H+](CC[C@H](O)c1ccccc1)Cc1ccco1 ZINC000808736653 1048096963 /nfs/dbraw/zinc/09/69/63/1048096963.db2.gz XTQMETAJBRSAIA-NRFANRHFSA-N 1 1 337.419 4.111 20 10 EICDMO Cc1cc(O)c(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000825478422 1048097987 /nfs/dbraw/zinc/09/79/87/1048097987.db2.gz AKBVWIIBQSAIPE-GJZGRUSLSA-N 1 1 336.907 4.097 20 10 EICDMO Cc1cc([O-])c(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000825478422 1048098003 /nfs/dbraw/zinc/09/80/03/1048098003.db2.gz AKBVWIIBQSAIPE-GJZGRUSLSA-N 1 1 336.907 4.097 20 10 EICDMO Cc1cc([O-])c(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000825478422 1048098017 /nfs/dbraw/zinc/09/80/17/1048098017.db2.gz AKBVWIIBQSAIPE-GJZGRUSLSA-N 1 1 336.907 4.097 20 10 EICDMO COc1c(F)cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc1Cl ZINC001143854277 1048248424 /nfs/dbraw/zinc/24/84/24/1048248424.db2.gz SAQKNMXLQAOJPZ-UHFFFAOYSA-N 1 1 336.838 4.186 20 10 EICDMO Cc1cc(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)ccc1N(C)C ZINC000815061232 1048317625 /nfs/dbraw/zinc/31/76/25/1048317625.db2.gz NEFQNXLJXRNXIZ-KXBFYZLASA-N 1 1 330.497 4.085 20 10 EICDMO Cc1cc(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)ccc1N(C)C ZINC000815061232 1048317652 /nfs/dbraw/zinc/31/76/52/1048317652.db2.gz NEFQNXLJXRNXIZ-KXBFYZLASA-N 1 1 330.497 4.085 20 10 EICDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]2c2ccncc2)c1O ZINC000809729352 1048477502 /nfs/dbraw/zinc/47/75/02/1048477502.db2.gz SQVPLBOOGARRQA-MRXNPFEDSA-N 1 1 347.256 4.195 20 10 EICDMO COCc1cccc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)c1 ZINC000815561139 1048510896 /nfs/dbraw/zinc/51/08/96/1048510896.db2.gz ZKFDQEVDQKUQJB-LBPRGKRZSA-N 1 1 339.357 4.408 20 10 EICDMO COC1CCC(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000815586218 1048523586 /nfs/dbraw/zinc/52/35/86/1048523586.db2.gz BTHWGKAWTBRWPL-HIFPTAJRSA-N 1 1 331.378 4.267 20 10 EICDMO COC[C@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)c1ccccc1 ZINC000815593635 1048528320 /nfs/dbraw/zinc/52/83/20/1048528320.db2.gz SOVIWHYJXIXHPR-WBMJQRKESA-N 1 1 339.357 4.449 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCCc3occc3C2)c1 ZINC000809791899 1048536388 /nfs/dbraw/zinc/53/63/88/1048536388.db2.gz AZDVVOACPHSEFN-UHFFFAOYSA-N 1 1 336.229 4.005 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+]2CCCc3occc3C2)c1 ZINC000809791899 1048536396 /nfs/dbraw/zinc/53/63/96/1048536396.db2.gz AZDVVOACPHSEFN-UHFFFAOYSA-N 1 1 336.229 4.005 20 10 EICDMO C[C@H]([NH2+]CCCOC1CCCC1)c1cccc(C(F)(F)F)c1O ZINC000815571918 1048537341 /nfs/dbraw/zinc/53/73/41/1048537341.db2.gz QCFNVMOXWWPVFY-LBPRGKRZSA-N 1 1 331.378 4.411 20 10 EICDMO C[C@H]([NH2+]CC1(C(F)(F)F)CC1)c1cccc(C(F)(F)F)c1O ZINC000815626030 1048551705 /nfs/dbraw/zinc/55/17/05/1048551705.db2.gz SLWMRDLJBZTOPA-QMMMGPOBSA-N 1 1 327.268 4.404 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccc(-n2cccn2)c(F)c1 ZINC000815644054 1048567357 /nfs/dbraw/zinc/56/73/57/1048567357.db2.gz RCUKCPPATPBQGA-OLZOCXBDSA-N 1 1 343.377 4.268 20 10 EICDMO C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc2ccccc2c1[O-] ZINC000815647383 1048569994 /nfs/dbraw/zinc/56/99/94/1048569994.db2.gz IXEVMEXMRSPPMB-QGZVFWFLSA-N 1 1 326.484 4.462 20 10 EICDMO CC[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215202 1048684232 /nfs/dbraw/zinc/68/42/32/1048684232.db2.gz AKYCSVRBFZVSNX-INIZCTEOSA-N 1 1 344.421 4.184 20 10 EICDMO CCC[C@H](Cc1ccccc1)[N@@H+](CCC)Cc1c(O)cc(O)cc1O ZINC001144516204 1048710948 /nfs/dbraw/zinc/71/09/48/1048710948.db2.gz SYVCDJSUQHGGTP-QGZVFWFLSA-N 1 1 343.467 4.427 20 10 EICDMO Oc1c(C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)ccc2ccccc21 ZINC000816503488 1048821664 /nfs/dbraw/zinc/82/16/64/1048821664.db2.gz ZWPVXPLHXZZFNX-UHFFFAOYSA-N 1 1 343.430 4.471 20 10 EICDMO Oc1c(C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)ccc2ccccc21 ZINC000816503488 1048821666 /nfs/dbraw/zinc/82/16/66/1048821666.db2.gz ZWPVXPLHXZZFNX-UHFFFAOYSA-N 1 1 343.430 4.471 20 10 EICDMO CC(C)[N@H+](CCc1nccs1)Cc1cc(Cl)c(F)cc1O ZINC000816516290 1048822488 /nfs/dbraw/zinc/82/24/88/1048822488.db2.gz ANYJVNTVPHLUAW-UHFFFAOYSA-N 1 1 328.840 4.094 20 10 EICDMO CC(C)[N@@H+](CCc1nccs1)Cc1cc(Cl)c(F)cc1O ZINC000816516290 1048822490 /nfs/dbraw/zinc/82/24/90/1048822490.db2.gz ANYJVNTVPHLUAW-UHFFFAOYSA-N 1 1 328.840 4.094 20 10 EICDMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816513119 1048822720 /nfs/dbraw/zinc/82/27/20/1048822720.db2.gz HHVKVYHUXCOAPR-NRFANRHFSA-N 1 1 333.431 4.427 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000816530658 1048825697 /nfs/dbraw/zinc/82/56/97/1048825697.db2.gz PYOXQDHZDMZKAJ-UHFFFAOYSA-N 1 1 333.712 4.493 20 10 EICDMO CCN(CC)c1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816535878 1048825764 /nfs/dbraw/zinc/82/57/64/1048825764.db2.gz DAAGJBUULYBSAC-UHFFFAOYSA-N 1 1 336.838 4.321 20 10 EICDMO COc1cccc([C@@H](C)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)c1O ZINC000846161873 1048826872 /nfs/dbraw/zinc/82/68/72/1048826872.db2.gz GKFRKKXADVPWES-GFCCVEGCSA-N 1 1 337.423 4.338 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]CCc1ccc2ccccc2n1 ZINC000816544918 1048827194 /nfs/dbraw/zinc/82/71/94/1048827194.db2.gz XPKOGKNGBTZROK-UHFFFAOYSA-N 1 1 330.790 4.065 20 10 EICDMO CCC(CC)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000816564832 1048837039 /nfs/dbraw/zinc/83/70/39/1048837039.db2.gz RVTWKSZBIQRWST-CXAGYDPISA-N 1 1 329.843 4.258 20 10 EICDMO C[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000846188559 1048838053 /nfs/dbraw/zinc/83/80/53/1048838053.db2.gz QBLSZAGECLCTAD-BZNIZROVSA-N 1 1 343.389 4.267 20 10 EICDMO CC[C@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1O)c1ccccc1F ZINC000846188585 1048838066 /nfs/dbraw/zinc/83/80/66/1048838066.db2.gz GVCHJAIPKFDTRG-PXAZEXFGSA-N 1 1 331.387 4.120 20 10 EICDMO CCC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@@H](O)c1ccccc1 ZINC000816594639 1048840425 /nfs/dbraw/zinc/84/04/25/1048840425.db2.gz KPLSCRFRJSDASW-AEFFLSMTSA-N 1 1 337.822 4.177 20 10 EICDMO COc1cccc(C2(C[NH2+]Cc3cc(Cl)c(F)cc3O)CC2)c1 ZINC000816613662 1048843722 /nfs/dbraw/zinc/84/37/22/1048843722.db2.gz BEKFOKNFOAMVQD-UHFFFAOYSA-N 1 1 335.806 4.015 20 10 EICDMO CC(C)([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccc1[N+](=O)[O-] ZINC000816617026 1048845886 /nfs/dbraw/zinc/84/58/86/1048845886.db2.gz MKRMZACHKKRUQD-UHFFFAOYSA-N 1 1 338.766 4.118 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000816657407 1048848746 /nfs/dbraw/zinc/84/87/46/1048848746.db2.gz RBNMQDACWQXYIE-JOCHJYFZSA-N 1 1 349.474 4.450 20 10 EICDMO OCC1([C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)c2ccccc2)CCC1 ZINC000816631618 1048851703 /nfs/dbraw/zinc/85/17/03/1048851703.db2.gz XYYJLWOUPMRMOM-SFHVURJKSA-N 1 1 349.833 4.178 20 10 EICDMO CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817414368 1048964713 /nfs/dbraw/zinc/96/47/13/1048964713.db2.gz XIRBMINPFLZUAB-ZBCRRDGASA-N 1 1 344.421 4.325 20 10 EICDMO CC[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817984944 1049076886 /nfs/dbraw/zinc/07/68/86/1049076886.db2.gz CREFYLTWQPJZQD-ZFWWWQNUSA-N 1 1 342.405 4.126 20 10 EICDMO C[C@@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000817985017 1049080937 /nfs/dbraw/zinc/08/09/37/1049080937.db2.gz FNJJSHTVNGUJOF-MJGOQNOKSA-N 1 1 327.516 4.002 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000811519457 1049108475 /nfs/dbraw/zinc/10/84/75/1049108475.db2.gz XWTNQVGETYERRW-WOJBJXKFSA-N 1 1 328.500 4.066 20 10 EICDMO C[C@H]1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCC1(F)F ZINC000811780083 1049263497 /nfs/dbraw/zinc/26/34/97/1049263497.db2.gz VGIPFMCZMQINIL-LBPRGKRZSA-N 1 1 335.394 4.494 20 10 EICDMO COc1cc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c(O)c(C(C)(C)C)c1 ZINC000811781163 1049264132 /nfs/dbraw/zinc/26/41/32/1049264132.db2.gz ZFQIASWOEGPDNC-IEBWSBKVSA-N 1 1 347.499 4.088 20 10 EICDMO CC(C)[N@@H+](Cc1cc2oc3ccccc3c2cc1O)[C@H]1CCOC1 ZINC000812290220 1049415204 /nfs/dbraw/zinc/41/52/04/1049415204.db2.gz BJEHUHUCOFTUOI-HNNXBMFYSA-N 1 1 325.408 4.291 20 10 EICDMO CC[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1ccc(F)cc1O ZINC000812735680 1049555116 /nfs/dbraw/zinc/55/51/16/1049555116.db2.gz FENXGMRFENBIME-RDTXWAMCSA-N 1 1 346.421 4.238 20 10 EICDMO Oc1ccccc1C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)C[C@H]1CCCO1 ZINC000812829845 1049601708 /nfs/dbraw/zinc/60/17/08/1049601708.db2.gz NXEMXSXSBBPKFP-HBMCJLEFSA-N 1 1 337.463 4.177 20 10 EICDMO C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@H]1OCCc2sccc21 ZINC000813792534 1049817717 /nfs/dbraw/zinc/81/77/17/1049817717.db2.gz ABJMOFWIBVBHHU-XXFAHNHDSA-N 1 1 341.835 4.038 20 10 EICDMO Cn1c[nH+]c2cc(NCc3ccc(OCc4ccncc4)cc3)ccc21 ZINC001178037483 1050373606 /nfs/dbraw/zinc/37/36/06/1050373606.db2.gz MJEYLIUUPCEWGF-UHFFFAOYSA-N 1 1 344.418 4.159 20 10 EICDMO Cc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c(Cl)c1 ZINC000773733126 1050415866 /nfs/dbraw/zinc/41/58/66/1050415866.db2.gz GZMAMWATFDUKIS-UHFFFAOYSA-N 1 1 344.886 4.117 20 10 EICDMO Cn1c2ccc(NCc3c(O)cccc3Cl)cc2[nH+]c1C1CC1 ZINC001178417254 1050466394 /nfs/dbraw/zinc/46/63/94/1050466394.db2.gz NDQXKMGISCGBAC-UHFFFAOYSA-N 1 1 327.815 4.422 20 10 EICDMO C[NH+](C)C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccc(Cl)cc1 ZINC001178566309 1050508173 /nfs/dbraw/zinc/50/81/73/1050508173.db2.gz XGTLNXKBSLLCEP-LJQANCHMSA-N 1 1 344.886 4.058 20 10 EICDMO Cc1ccc([C@@]2(C)C[N@H+](Cc3cc(Cl)ccc3O)CCO2)cc1 ZINC001203664228 1050568588 /nfs/dbraw/zinc/56/85/88/1050568588.db2.gz RNUMJQOOUGIOFP-LJQANCHMSA-N 1 1 331.843 4.102 20 10 EICDMO Cc1ccc([C@@]2(C)C[N@@H+](Cc3cc(Cl)ccc3O)CCO2)cc1 ZINC001203664228 1050568603 /nfs/dbraw/zinc/56/86/03/1050568603.db2.gz RNUMJQOOUGIOFP-LJQANCHMSA-N 1 1 331.843 4.102 20 10 EICDMO COc1cc(F)cc(C[C@H](C)[NH2+]Cc2c(O)ccc(Cl)c2F)c1 ZINC001178932293 1050584076 /nfs/dbraw/zinc/58/40/76/1050584076.db2.gz YMIBKMRDPNYWJD-JTQLQIEISA-N 1 1 341.785 4.053 20 10 EICDMO CC[N@@H+](Cc1ccc(Br)cc1O)[C@H](C)c1cccnc1 ZINC000825934508 1050639230 /nfs/dbraw/zinc/63/92/30/1050639230.db2.gz JUBQGCWCQNFMLR-GFCCVEGCSA-N 1 1 335.245 4.133 20 10 EICDMO C[C@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)c1nccn1C ZINC000182676567 1050788841 /nfs/dbraw/zinc/78/88/41/1050788841.db2.gz SFOYBWFIJUPUPB-INIZCTEOSA-N 1 1 326.488 4.040 20 10 EICDMO COc1ccc(C[N@@H+](C)[C@@H](c2ccccc2)C(C)C)c(O)c1OC ZINC001179892365 1050804669 /nfs/dbraw/zinc/80/46/69/1050804669.db2.gz DVHZGSOWSNSGIQ-GOSISDBHSA-N 1 1 329.440 4.239 20 10 EICDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)c1O ZINC001179878251 1050814477 /nfs/dbraw/zinc/81/44/77/1050814477.db2.gz NQAMFEXPNHZZAE-QFBILLFUSA-N 1 1 325.452 4.335 20 10 EICDMO COc1ccc(O)c(C[N@H+]2CCc3cc(-c4ccccc4)oc3C2)c1 ZINC001179963295 1050849769 /nfs/dbraw/zinc/84/97/69/1050849769.db2.gz YOOPGFJURSRRRC-UHFFFAOYSA-N 1 1 335.403 4.219 20 10 EICDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@H](COc3ccccc3)C2)cc1 ZINC001180318142 1050950276 /nfs/dbraw/zinc/95/02/76/1050950276.db2.gz XIYCVTLKLYVQRB-PXDRNWIDSA-N 1 1 336.479 4.167 20 10 EICDMO C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1ccccc1O ZINC000183421473 1051116623 /nfs/dbraw/zinc/11/66/23/1051116623.db2.gz UNQUMBBENRJMAS-MSOLQXFVSA-N 1 1 338.495 4.475 20 10 EICDMO CCOc1ccc(Cl)cc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001204145463 1051119518 /nfs/dbraw/zinc/11/95/18/1051119518.db2.gz NSEXHEJRLPQCLK-UHFFFAOYSA-N 1 1 332.875 4.437 20 10 EICDMO Cc1cc(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)cc(Cl)n1 ZINC001181556025 1051251531 /nfs/dbraw/zinc/25/15/31/1051251531.db2.gz RGLBDXHUZZXSMH-UHFFFAOYSA-N 1 1 329.875 4.276 20 10 EICDMO Cc1ccc([C@@H]2CSCC[N@@H+]2Cc2ccc(N(C)C)cc2)cc1 ZINC001190954628 1051322434 /nfs/dbraw/zinc/32/24/34/1051322434.db2.gz KIUQQQSIIFGNMS-FQEVSTJZSA-N 1 1 326.509 4.351 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1O ZINC001191048686 1051349239 /nfs/dbraw/zinc/34/92/39/1051349239.db2.gz RCLXKVQMMOPAAD-CQSZACIVSA-N 1 1 347.817 4.377 20 10 EICDMO C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774142562 1051462792 /nfs/dbraw/zinc/46/27/92/1051462792.db2.gz IEZGHZQXJODUBV-SFYZADRCSA-N 1 1 346.176 4.317 20 10 EICDMO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)cc1 ZINC000774134931 1051477149 /nfs/dbraw/zinc/47/71/49/1051477149.db2.gz NTVDPVLUCVZOBV-DIFFPNOSSA-N 1 1 340.250 4.392 20 10 EICDMO C[C@H](Cc1ccncc1)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774213911 1051504995 /nfs/dbraw/zinc/50/49/95/1051504995.db2.gz PNHWGIYUQCDNKL-GHMZBOCLSA-N 1 1 325.239 4.376 20 10 EICDMO CCC1(O)CCC([NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)CC1 ZINC000774233034 1051509994 /nfs/dbraw/zinc/50/99/94/1051509994.db2.gz NHLSOEJHTMMKIO-VHTNMKBUSA-N 1 1 332.271 4.433 20 10 EICDMO CC(C)[C@H](O)C1(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)CC1 ZINC000774270404 1051537707 /nfs/dbraw/zinc/53/77/07/1051537707.db2.gz DYQINDYNKVMLMI-BONVTDFDSA-N 1 1 332.271 4.147 20 10 EICDMO C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1cc(Cl)c(Cl)cc1O ZINC000774356164 1051573815 /nfs/dbraw/zinc/57/38/15/1051573815.db2.gz NUOZDDIVEJZOEX-AMIZOPFISA-N 1 1 332.252 4.145 20 10 EICDMO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1nc(-c2cccs2)no1 ZINC000774480483 1051611305 /nfs/dbraw/zinc/61/13/05/1051611305.db2.gz CFMRRNKYRGUGRM-CHWSQXEVSA-N 1 1 342.468 4.276 20 10 EICDMO COc1ccc(C[C@H]2CCCC[N@H+]2Cc2cc(F)ccc2O)cc1 ZINC001182764271 1051691043 /nfs/dbraw/zinc/69/10/43/1051691043.db2.gz MIUVTLLGACAAIM-GOSISDBHSA-N 1 1 329.415 4.137 20 10 EICDMO Cc1ccc(C[N@H+]2CCN(Cc3ccccc3)[C@H](C(C)C)C2)c(O)c1 ZINC001182901711 1051736603 /nfs/dbraw/zinc/73/66/03/1051736603.db2.gz GOIYAWNFGMLBMI-NRFANRHFSA-N 1 1 338.495 4.043 20 10 EICDMO Cc1ccc(CN2CC[N@H+](Cc3ccccc3)[C@H](C(C)C)C2)c(O)c1 ZINC001182901711 1051736610 /nfs/dbraw/zinc/73/66/10/1051736610.db2.gz GOIYAWNFGMLBMI-NRFANRHFSA-N 1 1 338.495 4.043 20 10 EICDMO Cc1ccc(CN2CC[N@@H+](Cc3ccccc3)[C@H](C(C)C)C2)c(O)c1 ZINC001182901711 1051736619 /nfs/dbraw/zinc/73/66/19/1051736619.db2.gz GOIYAWNFGMLBMI-NRFANRHFSA-N 1 1 338.495 4.043 20 10 EICDMO CCOc1ccc(C[N@@H+](CC)Cc2ccc(N(C)C)cc2)cc1OC ZINC001204361718 1051761589 /nfs/dbraw/zinc/76/15/89/1051761589.db2.gz KLGIAMPIUSQCKP-UHFFFAOYSA-N 1 1 342.483 4.182 20 10 EICDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC001183787440 1051897662 /nfs/dbraw/zinc/89/76/62/1051897662.db2.gz AAVQFQMTBKFEMW-MRXNPFEDSA-N 1 1 330.422 4.329 20 10 EICDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC001183798521 1051901112 /nfs/dbraw/zinc/90/11/12/1051901112.db2.gz FPCNPAUOPDCJRG-QDLOVBKTSA-N 1 1 342.380 4.132 20 10 EICDMO Cc1cc(C[N@H+]2CCCCC[C@H]2CCO)ccc1N1CCCCC1 ZINC001194306138 1052123254 /nfs/dbraw/zinc/12/32/54/1052123254.db2.gz FTNIXUCUJGMXJM-FQEVSTJZSA-N 1 1 330.516 4.112 20 10 EICDMO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cc2c(cc1O)CCCC2 ZINC000185941594 1052828998 /nfs/dbraw/zinc/82/89/98/1052828998.db2.gz HZQXGSZXMRPVRP-HNNXBMFYSA-N 1 1 330.516 4.185 20 10 EICDMO Cc1nc(C[NH2+]Cc2ccc(N(C)C3CCCCC3)cc2)[nH]c1C ZINC000850095290 1053071140 /nfs/dbraw/zinc/07/11/40/1053071140.db2.gz HJXMYRGNHCMULN-UHFFFAOYSA-N 1 1 326.488 4.085 20 10 EICDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@@H](C(F)(F)F)[C@H]3C)c2c1 ZINC000794654575 1053253193 /nfs/dbraw/zinc/25/31/93/1053253193.db2.gz DHGQHVFIPKOXPZ-BDJLRTHQSA-N 1 1 339.357 4.327 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1cccc2nccn21)C1CCCCC1 ZINC000775637527 1053274202 /nfs/dbraw/zinc/27/42/02/1053274202.db2.gz PZNQEZYPORBJFB-UHFFFAOYSA-N 1 1 335.451 4.375 20 10 EICDMO CC[C@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccc(F)cc1O ZINC000850520395 1053276343 /nfs/dbraw/zinc/27/63/43/1053276343.db2.gz AXDQGGNAACMFHR-INIZCTEOSA-N 1 1 333.378 4.453 20 10 EICDMO C[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1cccc(C(F)(F)F)c1O ZINC000850525508 1053286383 /nfs/dbraw/zinc/28/63/83/1053286383.db2.gz JWAVIYZCFQSSOP-CIISACIHSA-N 1 1 337.341 4.240 20 10 EICDMO CC(C)[N@@H+](Cc1cn(C)nc1C(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC000775651262 1053379351 /nfs/dbraw/zinc/37/93/51/1053379351.db2.gz LELBWEZJPNCZJI-UHFFFAOYSA-N 1 1 342.531 4.194 20 10 EICDMO C[C@H](N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(N2CCCCCC2)cc1 ZINC000764967900 1053401615 /nfs/dbraw/zinc/40/16/15/1053401615.db2.gz YXCRQTJVCARWFX-YUXAGFNASA-N 1 1 341.543 4.344 20 10 EICDMO C[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1ccc(N2CCCCCC2)cc1 ZINC000764967900 1053401623 /nfs/dbraw/zinc/40/16/23/1053401623.db2.gz YXCRQTJVCARWFX-YUXAGFNASA-N 1 1 341.543 4.344 20 10 EICDMO CC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@H](C)c1ccc(F)cc1 ZINC000775657915 1053416837 /nfs/dbraw/zinc/41/68/37/1053416837.db2.gz CJKJWYGAPLXMBZ-CYBMUJFWSA-N 1 1 333.403 4.132 20 10 EICDMO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000775659349 1053417803 /nfs/dbraw/zinc/41/78/03/1053417803.db2.gz WCJOMQDYHRRKPV-XJKCOSOUSA-N 1 1 340.870 4.022 20 10 EICDMO C[N@@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)Cc1ccccc1O ZINC000109773234 1053422853 /nfs/dbraw/zinc/42/28/53/1053422853.db2.gz VEDYHGRXQYYIED-UHFFFAOYSA-N 1 1 346.430 4.277 20 10 EICDMO C[C@@H]([NH2+]Cc1cccnc1F)c1ccc(N2CCCCC2)c(F)c1 ZINC000794828738 1053440343 /nfs/dbraw/zinc/44/03/43/1053440343.db2.gz NPOXGZONXQEXKF-CQSZACIVSA-N 1 1 331.410 4.201 20 10 EICDMO C[C@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1ccc(N(C)C)cc1 ZINC000797586006 1053538679 /nfs/dbraw/zinc/53/86/79/1053538679.db2.gz SITRNQXWPKSAGG-JTQLQIEISA-N 1 1 326.337 4.160 20 10 EICDMO Cc1cccc(C[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1O ZINC000775679331 1053554173 /nfs/dbraw/zinc/55/41/73/1053554173.db2.gz XLVSLYWDVMEFBE-SFHVURJKSA-N 1 1 349.434 4.478 20 10 EICDMO Cc1cccc(C[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1O ZINC000775679330 1053554695 /nfs/dbraw/zinc/55/46/95/1053554695.db2.gz XLVSLYWDVMEFBE-GOSISDBHSA-N 1 1 349.434 4.478 20 10 EICDMO COc1cc(O)c(C[N@H+]2CC[C@H](C)C[C@@H]2c2ccc(C)o2)cc1OC ZINC000775735502 1053716063 /nfs/dbraw/zinc/71/60/63/1053716063.db2.gz QFPVAIQYKAQIFD-XJKSGUPXSA-N 1 1 345.439 4.284 20 10 EICDMO CCO[C@H](C)c1nc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000775834779 1054116551 /nfs/dbraw/zinc/11/65/51/1054116551.db2.gz CXKFQGAZLUAWSE-UONOGXRCSA-N 1 1 333.501 4.157 20 10 EICDMO CN(C)c1ccc(/C=C\C[NH2+]CCC[N@@H+](C)C2CCCCC2)cc1 ZINC001198907867 1054308988 /nfs/dbraw/zinc/30/89/88/1054308988.db2.gz IONZHBOZDMQHIR-CLFYSBASSA-N 1 1 329.532 4.010 20 10 EICDMO CN(C)c1ccc(/C=C\CNCCC[N@H+](C)C2CCCCC2)cc1 ZINC001198907867 1054309002 /nfs/dbraw/zinc/30/90/02/1054309002.db2.gz IONZHBOZDMQHIR-CLFYSBASSA-N 1 1 329.532 4.010 20 10 EICDMO CN(C)c1ccc(/C=C\CNCCC[N@@H+](C)C2CCCCC2)cc1 ZINC001198907867 1054309017 /nfs/dbraw/zinc/30/90/17/1054309017.db2.gz IONZHBOZDMQHIR-CLFYSBASSA-N 1 1 329.532 4.010 20 10 EICDMO C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC001199321140 1054391793 /nfs/dbraw/zinc/39/17/93/1054391793.db2.gz WAHXJEJPJLTLJA-OKILXGFUSA-N 1 1 342.886 4.032 20 10 EICDMO Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000872132576 1054407563 /nfs/dbraw/zinc/40/75/63/1054407563.db2.gz GPSBUARKOPCCDL-SCZZXKLOSA-N 1 1 326.227 4.209 20 10 EICDMO CN(C)c1cc(F)c(C[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)cc1F ZINC000858115108 1054418826 /nfs/dbraw/zinc/41/88/26/1054418826.db2.gz DBBCNDZHHMVKSW-WOJBJXKFSA-N 1 1 346.421 4.041 20 10 EICDMO C[C@H](c1ccccc1)[N@H+](CC[C@H]1CCCN1C)Cc1ccccc1O ZINC000776002541 1054436592 /nfs/dbraw/zinc/43/65/92/1054436592.db2.gz FDLVKUNDHUMBEE-WIYYLYMNSA-N 1 1 338.495 4.440 20 10 EICDMO C[C@H](c1ccccc1)[N@@H+](CC[C@H]1CCCN1C)Cc1ccccc1O ZINC000776002541 1054436603 /nfs/dbraw/zinc/43/66/03/1054436603.db2.gz FDLVKUNDHUMBEE-WIYYLYMNSA-N 1 1 338.495 4.440 20 10 EICDMO C[C@H](c1ccccc1)N(CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1O ZINC000776002541 1054436607 /nfs/dbraw/zinc/43/66/07/1054436607.db2.gz FDLVKUNDHUMBEE-WIYYLYMNSA-N 1 1 338.495 4.440 20 10 EICDMO C[C@H](c1ccccc1)N(CC[C@H]1CCC[N@H+]1C)Cc1ccccc1O ZINC000776002541 1054436613 /nfs/dbraw/zinc/43/66/13/1054436613.db2.gz FDLVKUNDHUMBEE-WIYYLYMNSA-N 1 1 338.495 4.440 20 10 EICDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000776014378 1054439293 /nfs/dbraw/zinc/43/92/93/1054439293.db2.gz PGLMBFNOZPNFOV-IBGZPJMESA-N 1 1 329.827 4.067 20 10 EICDMO COC(=O)/C(C)=C/C[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000776012069 1054445703 /nfs/dbraw/zinc/44/57/03/1054445703.db2.gz XUPRCAOSUFBHGT-MAUBAPBLSA-N 1 1 339.435 4.075 20 10 EICDMO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2c(O)ccc3ccccc32)no1 ZINC000872742996 1054461192 /nfs/dbraw/zinc/46/11/92/1054461192.db2.gz AUYUDWFSWXTRRR-ALOPSCKCSA-N 1 1 349.434 4.147 20 10 EICDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3ccc(Cl)cc32)c1 ZINC000858582239 1054529318 /nfs/dbraw/zinc/52/93/18/1054529318.db2.gz OKUXPCQYZLTVCD-APPDUMDISA-N 1 1 345.826 4.170 20 10 EICDMO C[C@H](c1nnc(-c2ccccc2F)s1)[N@H+](C)Cc1ccccc1O ZINC000776101952 1054543948 /nfs/dbraw/zinc/54/39/48/1054543948.db2.gz KMHOISVZPVAJBX-GFCCVEGCSA-N 1 1 343.427 4.243 20 10 EICDMO C[C@H](c1nnc(-c2ccccc2F)s1)[N@@H+](C)Cc1ccccc1O ZINC000776101952 1054543961 /nfs/dbraw/zinc/54/39/61/1054543961.db2.gz KMHOISVZPVAJBX-GFCCVEGCSA-N 1 1 343.427 4.243 20 10 EICDMO C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000020553191 1054714431 /nfs/dbraw/zinc/71/44/31/1054714431.db2.gz LIIBCHMQMJVUNW-LBPRGKRZSA-N 1 1 331.287 4.053 20 10 EICDMO CC(C)=CCC[C@@H](C)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001201491488 1054819093 /nfs/dbraw/zinc/81/90/93/1054819093.db2.gz SHOHWMFIHLZEAS-LJQANCHMSA-N 1 1 330.516 4.338 20 10 EICDMO Cc1cccc(O)c1C[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000876630652 1054938879 /nfs/dbraw/zinc/93/88/79/1054938879.db2.gz HMKRPHHNNZSWRF-PHIMTYICSA-N 1 1 341.295 4.263 20 10 EICDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@H]4CC[C@@H](C3)S4)c2c1 ZINC000863295576 1055183141 /nfs/dbraw/zinc/18/31/41/1055183141.db2.gz ZGBUXXDEJNWMQV-CVEARBPZSA-N 1 1 329.465 4.024 20 10 EICDMO CCN(C)c1ccc(C[NH2+][C@H](c2ccccc2)c2ccccn2)cc1 ZINC000741753108 1058359763 /nfs/dbraw/zinc/35/97/63/1058359763.db2.gz NLJKLGIBYJMCQJ-JOCHJYFZSA-N 1 1 331.463 4.417 20 10 EICDMO C[C@@H]([NH2+]CC[C@H](C)N(C)Cc1ccccc1)c1cc(F)ccc1O ZINC000379643763 1059711244 /nfs/dbraw/zinc/71/12/44/1059711244.db2.gz GBOBYXFWNHERPV-JKSUJKDBSA-N 1 1 330.447 4.093 20 10 EICDMO C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CC[N@@H+]1Cc1ccccc1 ZINC000379652386 1059763680 /nfs/dbraw/zinc/76/36/80/1059763680.db2.gz WRSXMKYWXXSVTR-CRAIPNDOSA-N 1 1 344.886 4.188 20 10 EICDMO C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CC[N@H+]1Cc1ccccc1 ZINC000379652386 1059763706 /nfs/dbraw/zinc/76/37/06/1059763706.db2.gz WRSXMKYWXXSVTR-CRAIPNDOSA-N 1 1 344.886 4.188 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000367490459 522719655 /nfs/dbraw/zinc/71/96/55/522719655.db2.gz OPWBUPHLMFLMAJ-WWGRRREGSA-N 1 1 343.298 4.367 20 10 EICDMO Cc1noc(C)c1C[N@H+](C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000054463392 1032063852 /nfs/dbraw/zinc/06/38/52/1032063852.db2.gz GXNQJCXMJFODMO-UHFFFAOYSA-N 1 1 340.423 4.254 20 10 EICDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCCC2(CCCCC2)C1 ZINC001167341381 1021313352 /nfs/dbraw/zinc/31/33/52/1021313352.db2.gz HXPWCLGDPBKKHT-UHFFFAOYSA-N 1 1 328.500 4.070 20 10 EICDMO Oc1ccccc1C[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000376168583 1021651719 /nfs/dbraw/zinc/65/17/19/1021651719.db2.gz XKRCLJBHOSJWEZ-CQSZACIVSA-N 1 1 326.371 4.052 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC001167722458 1022035077 /nfs/dbraw/zinc/03/50/77/1022035077.db2.gz UPMDWSIDRRZYMN-GOSISDBHSA-N 1 1 348.494 4.399 20 10 EICDMO CC[N@@H+](Cc1ccccc1O)Cc1c(F)cccc1OC(F)F ZINC001207117818 1022217443 /nfs/dbraw/zinc/21/74/43/1022217443.db2.gz CNGBRECOEHHXTC-UHFFFAOYSA-N 1 1 325.330 4.155 20 10 EICDMO C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cc(Cl)c(Cl)cc1[O-] ZINC000278822712 1022361439 /nfs/dbraw/zinc/36/14/39/1022361439.db2.gz SQVGXPQRBOEOPX-AMIZOPFISA-N 1 1 326.227 4.150 20 10 EICDMO C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cc(Cl)c(Cl)cc1O ZINC000278822712 1022361455 /nfs/dbraw/zinc/36/14/55/1022361455.db2.gz SQVGXPQRBOEOPX-AMIZOPFISA-N 1 1 326.227 4.150 20 10 EICDMO CC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@H](C)c1cccc(OC)c1 ZINC000179723277 1022373387 /nfs/dbraw/zinc/37/33/87/1022373387.db2.gz SSMIYILBBYGXJX-CQSZACIVSA-N 1 1 345.439 4.001 20 10 EICDMO C[C@H]([NH2+]Cc1ccccc1OC(F)F)c1cc(F)cc(F)c1O ZINC000756367358 1022412740 /nfs/dbraw/zinc/41/27/40/1022412740.db2.gz KULMIXBLRFJUCV-VIFPVBQESA-N 1 1 329.293 4.123 20 10 EICDMO C[C@@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1ccc(F)cc1O ZINC000184919590 1022970937 /nfs/dbraw/zinc/97/09/37/1022970937.db2.gz UCOCRDSCEWZQEU-BEFAXECRSA-N 1 1 328.431 4.019 20 10 EICDMO O=C(c1cccs1)C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000376833727 1023320950 /nfs/dbraw/zinc/32/09/50/1023320950.db2.gz SZIZOCMCEXEMHI-UHFFFAOYSA-N 1 1 335.856 4.202 20 10 EICDMO Cc1nc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)sc1C ZINC000176318731 1023670313 /nfs/dbraw/zinc/67/03/13/1023670313.db2.gz FWYRIBQNYPEWIH-UHFFFAOYSA-N 1 1 329.513 4.382 20 10 EICDMO Cc1nc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)sc1C ZINC000176318731 1023670319 /nfs/dbraw/zinc/67/03/19/1023670319.db2.gz FWYRIBQNYPEWIH-UHFFFAOYSA-N 1 1 329.513 4.382 20 10 EICDMO CC[C@H]([NH2+][C@@H](CC)c1ccc(F)cc1O)c1ccc2c(c1)OCCO2 ZINC000796703707 1025016811 /nfs/dbraw/zinc/01/68/11/1025016811.db2.gz UJDBDSJRZPKIQN-IRXDYDNUSA-N 1 1 345.414 4.495 20 10 EICDMO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000091891097 1025868010 /nfs/dbraw/zinc/86/80/10/1025868010.db2.gz BDVDYHKZYUVNND-HOCLYGCPSA-N 1 1 337.872 4.195 20 10 EICDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)c(O)c1OC ZINC000894773023 1026413528 /nfs/dbraw/zinc/41/35/28/1026413528.db2.gz NOXMXBXSOAMCJP-MRXNPFEDSA-N 1 1 349.377 4.025 20 10 EICDMO COc1ccc(C[N@@H+](C(C)C)[C@H](C)c2ccsc2)c(O)c1OC ZINC000894976644 1027647017 /nfs/dbraw/zinc/64/70/17/1027647017.db2.gz DKQFKMPVLFKZFN-CYBMUJFWSA-N 1 1 335.469 4.443 20 10 EICDMO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1c(O)cccc1F ZINC000896637936 1027756797 /nfs/dbraw/zinc/75/67/97/1027756797.db2.gz RRWPDHKBJJBBEN-CQSZACIVSA-N 1 1 344.430 4.162 20 10 EICDMO Cc1cc[nH+]c(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000301635424 1029776960 /nfs/dbraw/zinc/77/69/60/1029776960.db2.gz KQNBMEFAVQBJQI-CQSZACIVSA-N 1 1 333.382 4.072 20 10 EICDMO COc1ccccc1[C@H]([NH2+][C@H](C)c1ccccc1O)c1ccccn1 ZINC000183631869 1030027665 /nfs/dbraw/zinc/02/76/65/1030027665.db2.gz GYFLZCDTLCKBHX-VFNWGFHPSA-N 1 1 334.419 4.236 20 10 EICDMO CCC[N@@H+](Cc1cnc2c(cnn2C(C)C)c1)Cc1ccccc1O ZINC000170779110 1030806956 /nfs/dbraw/zinc/80/69/56/1030806956.db2.gz DXGCNLZRQVBZNJ-UHFFFAOYSA-N 1 1 338.455 4.130 20 10 EICDMO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)cc1OC)c1ccc(F)cc1O ZINC000527974620 1030985991 /nfs/dbraw/zinc/98/59/91/1030985991.db2.gz UKGWFJQPORSUFC-SJCJKPOMSA-N 1 1 333.403 4.350 20 10 EICDMO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc(N(CC)CC)cc2)o1 ZINC000236936270 1033488789 /nfs/dbraw/zinc/48/87/89/1033488789.db2.gz MUPMCAWZDUXTAS-LJQANCHMSA-N 1 1 330.472 4.166 20 10 EICDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(Cl)cc(OC)c2O)cc1 ZINC000761184771 1035898767 /nfs/dbraw/zinc/89/87/67/1035898767.db2.gz PHPQIXBTWVRHRS-QGZVFWFLSA-N 1 1 347.842 4.400 20 10 EICDMO COc1ccc(CCC[N@@H+](C)Cc2cc(Cl)cc(OC)c2O)cc1 ZINC000761192652 1036005002 /nfs/dbraw/zinc/00/50/02/1036005002.db2.gz WNUHLVFQQGRROP-UHFFFAOYSA-N 1 1 349.858 4.127 20 10 EICDMO COc1cc(Cl)cc(CNc2c(C)cc([NH+](C)C)cc2C)c1O ZINC000761225873 1036269684 /nfs/dbraw/zinc/26/96/84/1036269684.db2.gz JICXQUQHLOSGOA-UHFFFAOYSA-N 1 1 334.847 4.349 20 10 EICDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ncccc1C(F)(F)F ZINC000156837489 1036440418 /nfs/dbraw/zinc/44/04/18/1036440418.db2.gz QOCZNNUHXPYMGI-UHFFFAOYSA-N 1 1 337.389 4.189 20 10 EICDMO Oc1c(Br)cccc1C[NH2+][C@H]1CCCc2sccc21 ZINC000061360405 1037120024 /nfs/dbraw/zinc/12/00/24/1037120024.db2.gz DMYZRUDNUTXTRH-ZDUSSCGKSA-N 1 1 338.270 4.383 20 10 EICDMO Cc1cccc(C[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1O ZINC000273485667 1037481783 /nfs/dbraw/zinc/48/17/83/1037481783.db2.gz MHAWRXVOBKACGO-MOPGFXCFSA-N 1 1 329.415 4.192 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000273556941 1037503138 /nfs/dbraw/zinc/50/31/38/1037503138.db2.gz ZQGIAGYVQHHOLA-LEWJYISDSA-N 1 1 342.458 4.244 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000273556946 1037507929 /nfs/dbraw/zinc/50/79/29/1037507929.db2.gz ZQGIAGYVQHHOLA-RTWAWAEBSA-N 1 1 342.458 4.244 20 10 EICDMO C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)c1ccc(N(C)C)cc1 ZINC000157523184 1037638096 /nfs/dbraw/zinc/63/80/96/1037638096.db2.gz XDRYLHGORHUOES-QGZVFWFLSA-N 1 1 329.532 4.200 20 10 EICDMO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)cn1 ZINC000296072934 1042551808 /nfs/dbraw/zinc/55/18/08/1042551808.db2.gz WSMMVFSEHKPXSL-ZJUUUORDSA-N 1 1 328.243 4.327 20 10 EICDMO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)cc1 ZINC000090450351 1042722774 /nfs/dbraw/zinc/72/27/74/1042722774.db2.gz VIGLXPKFXAMHTM-IRXDYDNUSA-N 1 1 349.482 4.135 20 10 EICDMO COc1ccc2c(c1)C[N@H+](Cc1cccc(C(C)(C)C)c1O)CC2 ZINC001143103375 1043367536 /nfs/dbraw/zinc/36/75/36/1043367536.db2.gz BBQHRLMGOCHSRL-UHFFFAOYSA-N 1 1 325.452 4.257 20 10 EICDMO CN1CCC[C@@H](C[NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC000731041502 1043682902 /nfs/dbraw/zinc/68/29/02/1043682902.db2.gz CPMCZTAMEKJWEF-INIZCTEOSA-N 1 1 346.559 4.419 20 10 EICDMO COC(=O)c1coc(C[N@@H+](Cc2ccccc2O)C2CCCCC2)c1 ZINC000733198925 1044127849 /nfs/dbraw/zinc/12/78/49/1044127849.db2.gz KWKJNPMQCQHMPP-UHFFFAOYSA-N 1 1 343.423 4.107 20 10 EICDMO C[C@H]([NH2+]Cc1nc(C(F)(F)F)cs1)c1ccc(N(C)C)cc1 ZINC000766122279 1044269986 /nfs/dbraw/zinc/26/99/86/1044269986.db2.gz WJTGXKLSHCOLDG-JTQLQIEISA-N 1 1 329.391 4.079 20 10 EICDMO COc1ccc(OC)c(C[N@@H+](Cc2cc(C)c(C)cc2O)C2CC2)c1 ZINC000914570197 1044512236 /nfs/dbraw/zinc/51/22/36/1044512236.db2.gz QVZZCEBXKONXEY-UHFFFAOYSA-N 1 1 341.451 4.191 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)cc1 ZINC000734639494 1044626747 /nfs/dbraw/zinc/62/67/47/1044626747.db2.gz NOZVAWAHSQDPAF-QFIPXVFZSA-N 1 1 338.495 4.279 20 10 EICDMO C[C@H](C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 ZINC000735079030 1044738784 /nfs/dbraw/zinc/73/87/84/1044738784.db2.gz ZNNNHILZRXHCBD-XLIONFOSSA-N 1 1 325.452 4.177 20 10 EICDMO Oc1ccc2ccncc2c1C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000738066840 1045031983 /nfs/dbraw/zinc/03/19/83/1045031983.db2.gz OMGHJWXALPLEKS-LJQANCHMSA-N 1 1 336.460 4.231 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CCS[C@@H](c3ccccc3)C1)CCC2 ZINC000738247783 1045053371 /nfs/dbraw/zinc/05/33/71/1045053371.db2.gz YYXMAHSLLNODBE-HXUWFJFHSA-N 1 1 325.477 4.171 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCc1cccc2cccnc21 ZINC000790950870 1045635183 /nfs/dbraw/zinc/63/51/83/1045635183.db2.gz WERVENJFDOCXKD-UHFFFAOYSA-N 1 1 330.790 4.065 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1cc2c(s1)CCCC2 ZINC000790961850 1045637100 /nfs/dbraw/zinc/63/71/00/1045637100.db2.gz BFMOCJALBFUFMI-UHFFFAOYSA-N 1 1 325.836 4.415 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000790977793 1045667368 /nfs/dbraw/zinc/66/73/68/1045667368.db2.gz UBQLMBRPPNDPKS-LBPRGKRZSA-N 1 1 327.827 4.156 20 10 EICDMO CC[N@@H+](Cc1cnc2ccc(Cl)cn12)Cc1ccc(N(C)C)cc1 ZINC000768134831 1045723586 /nfs/dbraw/zinc/72/35/86/1045723586.db2.gz VDOVFCAWJZORED-UHFFFAOYSA-N 1 1 342.874 4.076 20 10 EICDMO COc1cccc(C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)c1O ZINC000768237313 1045751709 /nfs/dbraw/zinc/75/17/09/1045751709.db2.gz ODXIMAPRZSHLFO-UHFFFAOYSA-N 1 1 329.827 4.344 20 10 EICDMO Cc1ccc(O)c(C[N@@H+](C)Cc2ccc(Br)s2)c1 ZINC000768193762 1045752372 /nfs/dbraw/zinc/75/23/72/1045752372.db2.gz PCXVLYXDOFSDLE-UHFFFAOYSA-N 1 1 326.259 4.157 20 10 EICDMO CCOc1cccc(C[N@@H+](C)[C@H]2CCCc3cc(OC)ccc32)c1O ZINC000768337901 1045792732 /nfs/dbraw/zinc/79/27/32/1045792732.db2.gz JBPUDEBUKFSMOJ-IBGZPJMESA-N 1 1 341.451 4.309 20 10 EICDMO CC(C)[N@@H+](Cc1cnc(C2CC2)s1)Cc1ccc(N(C)C)cc1 ZINC000768357880 1045799225 /nfs/dbraw/zinc/79/92/25/1045799225.db2.gz PGJWSVMEWMQLIP-UHFFFAOYSA-N 1 1 329.513 4.497 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2CCc2ccccc2)cc1OC ZINC000768443863 1045807050 /nfs/dbraw/zinc/80/70/50/1045807050.db2.gz VIKCOFLUCICKCO-SFHVURJKSA-N 1 1 341.451 4.007 20 10 EICDMO COc1cc(C[N@@H+](C)Cc2cc(Cl)ccc2OC)c(O)cc1C ZINC000768442552 1045807708 /nfs/dbraw/zinc/80/77/08/1045807708.db2.gz SIFAAZNENMUQIS-UHFFFAOYSA-N 1 1 335.831 4.003 20 10 EICDMO COc1cc(C[N@H+]2CCC[C@@H]2c2ccccc2OC)c(O)cc1C ZINC000768453614 1045809058 /nfs/dbraw/zinc/80/90/58/1045809058.db2.gz ZVUCWBXXIIJRTK-QGZVFWFLSA-N 1 1 327.424 4.055 20 10 EICDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2cc(Cl)cc(C)c2O)o1 ZINC000768541729 1045818073 /nfs/dbraw/zinc/81/80/73/1045818073.db2.gz QSZLYYRBUKLIAV-MRXNPFEDSA-N 1 1 335.831 4.431 20 10 EICDMO CCOc1ccc(C[N@@H+](CCOC)[C@H](C)c2ccccc2)c(O)c1 ZINC000768597289 1045825151 /nfs/dbraw/zinc/82/51/51/1045825151.db2.gz REHZRBKFSWWSMM-MRXNPFEDSA-N 1 1 329.440 4.001 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)cc1C ZINC000763337011 1045827721 /nfs/dbraw/zinc/82/77/21/1045827721.db2.gz VCJXFMXZJKDLOT-FQEVSTJZSA-N 1 1 329.415 4.030 20 10 EICDMO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(N2CCCCC2)cc1 ZINC000768892151 1045854486 /nfs/dbraw/zinc/85/44/86/1045854486.db2.gz ICYDJCNRYBBLLA-LJQANCHMSA-N 1 1 338.495 4.060 20 10 EICDMO COc1cccc(O)c1C[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000768910310 1045858683 /nfs/dbraw/zinc/85/86/83/1045858683.db2.gz FDGWEDNYZYQIKG-UHFFFAOYSA-N 1 1 325.330 4.052 20 10 EICDMO Oc1ccc2ccncc2c1C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000768908132 1045859105 /nfs/dbraw/zinc/85/91/05/1045859105.db2.gz CHXOFYPAFLDDFI-AWEZNQCLSA-N 1 1 340.373 4.208 20 10 EICDMO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3n2C)c1 ZINC000768989669 1045866423 /nfs/dbraw/zinc/86/64/23/1045866423.db2.gz AOCZGMUAXVUIIG-IBGZPJMESA-N 1 1 335.451 4.315 20 10 EICDMO Cc1ccc(O)c(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000768990496 1045868142 /nfs/dbraw/zinc/86/81/42/1045868142.db2.gz GBBYDKLIOWKXPE-TXEJJXNPSA-N 1 1 341.295 4.263 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000792165273 1045870265 /nfs/dbraw/zinc/87/02/65/1045870265.db2.gz NQICFYAQFJFJIZ-UHFFFAOYSA-N 1 1 341.854 4.498 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000792167773 1045871858 /nfs/dbraw/zinc/87/18/58/1045871858.db2.gz QWMDTQLUZRUMRV-QGZVFWFLSA-N 1 1 335.806 4.148 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000792167773 1045871859 /nfs/dbraw/zinc/87/18/59/1045871859.db2.gz QWMDTQLUZRUMRV-QGZVFWFLSA-N 1 1 335.806 4.148 20 10 EICDMO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000248744252 1045884372 /nfs/dbraw/zinc/88/43/72/1045884372.db2.gz APWDYBNPBDKVIS-YRXQGLPXSA-N 1 1 330.255 4.307 20 10 EICDMO C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1cc(Cl)c(Cl)cc1O ZINC000249037074 1045890488 /nfs/dbraw/zinc/89/04/88/1045890488.db2.gz SYGWXXIJHGJHPD-OCAXQNDTSA-N 1 1 338.234 4.008 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000769209188 1045894355 /nfs/dbraw/zinc/89/43/55/1045894355.db2.gz QPKSNLYDTGJHRP-RBBKRZOGSA-N 1 1 338.495 4.352 20 10 EICDMO CCOc1cccc(C[N@@H+](CCc2cccc(F)c2)C2CC2)c1O ZINC000769426260 1045960577 /nfs/dbraw/zinc/96/05/77/1045960577.db2.gz DVBLCVDTTAASJI-UHFFFAOYSA-N 1 1 329.415 4.137 20 10 EICDMO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H](c2ccc(F)cc2)O1 ZINC000769474847 1045991897 /nfs/dbraw/zinc/99/18/97/1045991897.db2.gz SKZKNWJFLGBSMJ-KZULUSFZSA-N 1 1 335.806 4.147 20 10 EICDMO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@H](c2ccc(F)cc2)O1 ZINC000769474847 1045991918 /nfs/dbraw/zinc/99/19/18/1045991918.db2.gz SKZKNWJFLGBSMJ-KZULUSFZSA-N 1 1 335.806 4.147 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc(O)c2)c(C(F)(F)F)c1 ZINC000792759809 1046062709 /nfs/dbraw/zinc/06/27/09/1046062709.db2.gz DZAJPUWOCINBAG-UHFFFAOYSA-N 1 1 338.373 4.109 20 10 EICDMO CCc1nc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)cs1 ZINC000792960905 1046117087 /nfs/dbraw/zinc/11/70/87/1046117087.db2.gz ROGUJVHXVIBXKG-UHFFFAOYSA-N 1 1 343.418 4.080 20 10 EICDMO Cc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)nc1 ZINC000793165846 1046152883 /nfs/dbraw/zinc/15/28/83/1046152883.db2.gz GSGRVIBYLORXCE-UHFFFAOYSA-N 1 1 337.389 4.107 20 10 EICDMO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000770289714 1046168927 /nfs/dbraw/zinc/16/89/27/1046168927.db2.gz GZQOYDCAZTZXCE-BLLLJJGKSA-N 1 1 337.872 4.195 20 10 EICDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000793339886 1046211884 /nfs/dbraw/zinc/21/18/84/1046211884.db2.gz NOHANUJXKDBUAA-NRFANRHFSA-N 1 1 325.452 4.450 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cnc(C(C)(C)C)nc2)cc1 ZINC000793570302 1046296976 /nfs/dbraw/zinc/29/69/76/1046296976.db2.gz HPQPXVITIAVBPR-UHFFFAOYSA-N 1 1 340.515 4.252 20 10 EICDMO CC(C)(C)c1cc(C[N@H+]2CCC[C@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000771929341 1046519399 /nfs/dbraw/zinc/51/93/99/1046519399.db2.gz XIJOQPFQZSKYQC-HNNXBMFYSA-N 1 1 333.516 4.192 20 10 EICDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000917075423 1046638120 /nfs/dbraw/zinc/63/81/20/1046638120.db2.gz VOOFRPYSKRNANS-UHFFFAOYSA-N 1 1 327.428 4.071 20 10 EICDMO CC(C)[N@H+](Cc1ncc(C(C)(C)C)o1)Cc1ccc(N(C)C)cc1 ZINC000917074858 1046638241 /nfs/dbraw/zinc/63/82/41/1046638241.db2.gz IBFQIMFHCPIZCG-UHFFFAOYSA-N 1 1 329.488 4.449 20 10 EICDMO CC(C)[N@@H+](Cc1ncc(C(C)(C)C)o1)Cc1ccc(N(C)C)cc1 ZINC000917074858 1046638254 /nfs/dbraw/zinc/63/82/54/1046638254.db2.gz IBFQIMFHCPIZCG-UHFFFAOYSA-N 1 1 329.488 4.449 20 10 EICDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000917074916 1046639319 /nfs/dbraw/zinc/63/93/19/1046639319.db2.gz LONZNFUHOKRPMI-UHFFFAOYSA-N 1 1 345.418 4.211 20 10 EICDMO Oc1ccc2oc3c(c2c1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21)CCCC3 ZINC000917472975 1046897644 /nfs/dbraw/zinc/89/76/44/1046897644.db2.gz LNUHRHQDCYPHCH-QFBILLFUSA-N 1 1 341.451 4.161 20 10 EICDMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000917616516 1047029209 /nfs/dbraw/zinc/02/92/09/1047029209.db2.gz NPQMVBIRLRADOA-SFHVURJKSA-N 1 1 336.410 4.287 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139453 1047131283 /nfs/dbraw/zinc/13/12/83/1047131283.db2.gz ASUKPLXDARAOGE-HCKVZZMMSA-N 1 1 331.287 4.222 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139453 1047131304 /nfs/dbraw/zinc/13/13/04/1047131304.db2.gz ASUKPLXDARAOGE-HCKVZZMMSA-N 1 1 331.287 4.222 20 10 EICDMO CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806131120 1047155399 /nfs/dbraw/zinc/15/53/99/1047155399.db2.gz GOGRYKFUGFLXFD-ABAIWWIYSA-N 1 1 331.287 4.082 20 10 EICDMO COc1ccccc1CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788503244 1047206464 /nfs/dbraw/zinc/20/64/64/1047206464.db2.gz MNZKJTHTIUXVPE-GFCCVEGCSA-N 1 1 339.357 4.313 20 10 EICDMO CN(C)c1ccc(C[NH2+]Cc2cc(F)c(Cl)cc2F)cc1F ZINC000788531702 1047228439 /nfs/dbraw/zinc/22/84/39/1047228439.db2.gz DXVSHYRHMOXOPS-UHFFFAOYSA-N 1 1 328.765 4.113 20 10 EICDMO Clc1cccc2c1[C@@H]([NH2+]Cc1ccc(N3CCCC3)cc1)COC2 ZINC000788527762 1047229550 /nfs/dbraw/zinc/22/95/50/1047229550.db2.gz ZHRJPCUUQWHNAN-IBGZPJMESA-N 1 1 342.870 4.301 20 10 EICDMO C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cccc(C(F)(F)F)c1O ZINC000788604030 1047245511 /nfs/dbraw/zinc/24/55/11/1047245511.db2.gz SMBAKPWVWKCFOQ-ZUZCIYMTSA-N 1 1 345.386 4.031 20 10 EICDMO C[C@H](Nc1ccc2c(c1)[nH+]cn2C)c1cccc(C(F)(F)F)c1O ZINC000788729031 1047282032 /nfs/dbraw/zinc/28/20/32/1047282032.db2.gz IHXISIAJCODBLE-JTQLQIEISA-N 1 1 335.329 4.471 20 10 EICDMO C[C@@H]([NH2+]C[C@H](C)c1nccs1)c1cccc(C(F)(F)F)c1O ZINC000788735450 1047295554 /nfs/dbraw/zinc/29/55/54/1047295554.db2.gz AYDSZYXUNBCDAI-VHSXEESVSA-N 1 1 330.375 4.322 20 10 EICDMO COCC[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)c1ccco1 ZINC000788735330 1047297756 /nfs/dbraw/zinc/29/77/56/1047297756.db2.gz PNCDUFKLJATXPA-FZMZJTMJSA-N 1 1 343.345 4.432 20 10 EICDMO CCOC1CC(CC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000788776155 1047313098 /nfs/dbraw/zinc/31/30/98/1047313098.db2.gz KIFMTNLJBPIDPY-PNESKVBLSA-N 1 1 331.378 4.267 20 10 EICDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCc3ccc(C)cc32)c1 ZINC000806660224 1047334797 /nfs/dbraw/zinc/33/47/97/1047334797.db2.gz AMJGUINOJWNBSW-KUHUBIRLSA-N 1 1 339.435 4.215 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1)oc1ccccc12 ZINC000789513254 1047434904 /nfs/dbraw/zinc/43/49/04/1047434904.db2.gz KMSZMSBIVNRUOS-YLJYHZDGSA-N 1 1 337.419 4.435 20 10 EICDMO C[N@H+](Cc1cccc(OC(F)(F)F)c1)Cc1cc(F)c(F)cc1O ZINC001142534370 1047555632 /nfs/dbraw/zinc/55/56/32/1047555632.db2.gz HHGVMGZYMPHNMO-UHFFFAOYSA-N 1 1 347.283 4.201 20 10 EICDMO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)Cc1cc(F)c(F)cc1O ZINC001142534370 1047555651 /nfs/dbraw/zinc/55/56/51/1047555651.db2.gz HHGVMGZYMPHNMO-UHFFFAOYSA-N 1 1 347.283 4.201 20 10 EICDMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1cnn(CC2CCC2)c1 ZINC000898181709 1047576276 /nfs/dbraw/zinc/57/62/76/1047576276.db2.gz MKQVLYBJCWYUQG-LLVKDONJSA-N 1 1 337.826 4.032 20 10 EICDMO COc1ccc(CCC[N@@H+](C)Cc2c(O)ccc3ccncc32)cc1 ZINC000918731452 1047624379 /nfs/dbraw/zinc/62/43/79/1047624379.db2.gz AGUKTKGFVPXVHV-UHFFFAOYSA-N 1 1 336.435 4.014 20 10 EICDMO COc1ccc(N2CCC[N@H+]([C@H](C)c3ccc(F)cc3F)CC2)cc1 ZINC000918738818 1047628864 /nfs/dbraw/zinc/62/88/64/1047628864.db2.gz PBLZUCFZNTZHDM-OAHLLOKOSA-N 1 1 346.421 4.247 20 10 EICDMO Oc1c(Br)cccc1C[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000814169347 1047873653 /nfs/dbraw/zinc/87/36/53/1047873653.db2.gz FPIWFSVCUYQITN-UHFFFAOYSA-N 1 1 346.268 4.323 20 10 EICDMO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1cccc(C2CC2)c1 ZINC000824462644 1047877048 /nfs/dbraw/zinc/87/70/48/1047877048.db2.gz JQKXIKXCDSOKFT-SFHVURJKSA-N 1 1 349.522 4.167 20 10 EICDMO O[C@@H]1CCC[C@H]1[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000824697161 1047898125 /nfs/dbraw/zinc/89/81/25/1047898125.db2.gz ZCRSKZLXUWHEIW-FDFHNCONSA-N 1 1 342.527 4.192 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824715880 1047909430 /nfs/dbraw/zinc/90/94/30/1047909430.db2.gz QBJURSJQIXJLQS-SJBKTWHCSA-N 1 1 337.463 4.185 20 10 EICDMO Cc1cc(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)c(C)n1-c1cccc(C)c1 ZINC000825017569 1048018639 /nfs/dbraw/zinc/01/86/39/1048018639.db2.gz UZROKAISWUPQGO-QRWLVFNGSA-N 1 1 334.467 4.395 20 10 EICDMO CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000825246517 1048058751 /nfs/dbraw/zinc/05/87/51/1048058751.db2.gz BUUZDIQZFUZWOQ-UHFFFAOYSA-N 1 1 332.875 4.096 20 10 EICDMO CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000825246517 1048058768 /nfs/dbraw/zinc/05/87/68/1048058768.db2.gz BUUZDIQZFUZWOQ-UHFFFAOYSA-N 1 1 332.875 4.096 20 10 EICDMO COC[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1cccc(Cl)c1 ZINC000808731786 1048096192 /nfs/dbraw/zinc/09/61/92/1048096192.db2.gz ALGBVUMYAFBDLY-MGPLVRAMSA-N 1 1 341.785 4.362 20 10 EICDMO Cc1cc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)ccc1N(C)C ZINC000815055303 1048305808 /nfs/dbraw/zinc/30/58/08/1048305808.db2.gz ZNMCFVRLUAIJFK-NRFANRHFSA-N 1 1 338.495 4.100 20 10 EICDMO Cc1cc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)ccc1N(C)C ZINC000815114062 1048329334 /nfs/dbraw/zinc/32/93/34/1048329334.db2.gz NMTCAHMMILDCKW-CVEARBPZSA-N 1 1 327.299 4.077 20 10 EICDMO Oc1cccc2c1C[N@H+](Cc1cccc(C(F)(F)F)c1F)CC2 ZINC001138011949 1048425132 /nfs/dbraw/zinc/42/51/32/1048425132.db2.gz ODYKOPDYZWJWQI-UHFFFAOYSA-N 1 1 325.305 4.108 20 10 EICDMO Oc1cccc2c1C[N@@H+](Cc1cccc(C(F)(F)F)c1F)CC2 ZINC001138011949 1048425141 /nfs/dbraw/zinc/42/51/41/1048425141.db2.gz ODYKOPDYZWJWQI-UHFFFAOYSA-N 1 1 325.305 4.108 20 10 EICDMO Cc1cccc(C[N@@H+](CCc2ccccc2)Cc2cccnc2)c1O ZINC000809735388 1048484286 /nfs/dbraw/zinc/48/42/86/1048484286.db2.gz DXEFEVKYCVPJFY-UHFFFAOYSA-N 1 1 332.447 4.341 20 10 EICDMO COc1cccc(O)c1C[N@H+](Cc1cccnc1)Cc1ccccc1C ZINC000809735574 1048484562 /nfs/dbraw/zinc/48/45/62/1048484562.db2.gz KWFXSTKDQPNYSL-UHFFFAOYSA-N 1 1 348.446 4.307 20 10 EICDMO COc1cccc(O)c1C[N@@H+](Cc1cccnc1)Cc1ccccc1C ZINC000809735574 1048484569 /nfs/dbraw/zinc/48/45/69/1048484569.db2.gz KWFXSTKDQPNYSL-UHFFFAOYSA-N 1 1 348.446 4.307 20 10 EICDMO C[C@@H]([NH2+]CCOc1ccccc1F)c1cccc(C(F)(F)F)c1O ZINC000815553437 1048505735 /nfs/dbraw/zinc/50/57/35/1048505735.db2.gz ADSOAUOQXQWUAM-LLVKDONJSA-N 1 1 343.320 4.280 20 10 EICDMO COCc1ccccc1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815555787 1048507324 /nfs/dbraw/zinc/50/73/24/1048507324.db2.gz IAZLZAZEUUDINP-LBPRGKRZSA-N 1 1 339.357 4.408 20 10 EICDMO Cc1csc(CC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)n1 ZINC000815558884 1048507472 /nfs/dbraw/zinc/50/74/72/1048507472.db2.gz QWABMPQDYOAXTH-JTQLQIEISA-N 1 1 330.375 4.069 20 10 EICDMO COc1cc(Cl)cc(C[N@H+](Cc2ccc(O)cc2)CC2CC2)c1O ZINC000809737656 1048507721 /nfs/dbraw/zinc/50/77/21/1048507721.db2.gz INEFXDYLJXGGRN-UHFFFAOYSA-N 1 1 347.842 4.172 20 10 EICDMO COCC[N@@H+](Cc1cccnc1)Cc1cc(-c2ccccc2)ccc1O ZINC000809740692 1048511662 /nfs/dbraw/zinc/51/16/62/1048511662.db2.gz AQKBJGFKUGMMQA-UHFFFAOYSA-N 1 1 348.446 4.103 20 10 EICDMO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cccc(Br)c1O ZINC000809764388 1048525611 /nfs/dbraw/zinc/52/56/11/1048525611.db2.gz FSOHTOTUEISYIT-HNNXBMFYSA-N 1 1 335.245 4.133 20 10 EICDMO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cccc(Br)c1O ZINC000809764388 1048525625 /nfs/dbraw/zinc/52/56/25/1048525625.db2.gz FSOHTOTUEISYIT-HNNXBMFYSA-N 1 1 335.245 4.133 20 10 EICDMO C[C@@H]([NH2+]CC1(CO)CCCCC1)c1cccc(C(F)(F)F)c1O ZINC000815596110 1048529202 /nfs/dbraw/zinc/52/92/02/1048529202.db2.gz KWMUUJKRFDVIJO-GFCCVEGCSA-N 1 1 331.378 4.004 20 10 EICDMO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000809781153 1048530111 /nfs/dbraw/zinc/53/01/11/1048530111.db2.gz PGOBBXSHIWCEPT-MRXNPFEDSA-N 1 1 345.439 4.001 20 10 EICDMO CCc1nc(CC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)cs1 ZINC000815573474 1048537023 /nfs/dbraw/zinc/53/70/23/1048537023.db2.gz LKJWKOZUFUAEGU-SNVBAGLBSA-N 1 1 344.402 4.323 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1cccc(C(F)(F)F)c1O ZINC000815576451 1048538861 /nfs/dbraw/zinc/53/88/61/1048538861.db2.gz QPPLHJYUIRUAAO-NWDGAFQWSA-N 1 1 339.357 4.398 20 10 EICDMO CO[C@H](CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)C(F)(F)F ZINC000815619140 1048545896 /nfs/dbraw/zinc/54/58/96/1048545896.db2.gz DQEFZLCWIJPNPO-GZMMTYOYSA-N 1 1 345.283 4.029 20 10 EICDMO CO[C@@H](CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)C(F)(F)F ZINC000815619142 1048546507 /nfs/dbraw/zinc/54/65/07/1048546507.db2.gz DQEFZLCWIJPNPO-KWQFWETISA-N 1 1 345.283 4.029 20 10 EICDMO C[C@H](NCc1ccc(C[NH3+])cc1F)c1ccc(N2CCCCC2)cc1 ZINC000844924661 1048549741 /nfs/dbraw/zinc/54/97/41/1048549741.db2.gz PIIDYOUVJKJQJM-INIZCTEOSA-N 1 1 341.474 4.126 20 10 EICDMO C[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1cccc(C(F)(F)F)c1O ZINC000815627045 1048550258 /nfs/dbraw/zinc/55/02/58/1048550258.db2.gz RRMFPQJMKAVWIN-NWDGAFQWSA-N 1 1 337.341 4.238 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1cc(F)cc(F)c1O ZINC000815650343 1048574430 /nfs/dbraw/zinc/57/44/30/1048574430.db2.gz PCUVKWSPFNXWQO-MRVPVSSYSA-N 1 1 347.283 4.262 20 10 EICDMO Oc1cc(F)c(Br)cc1C[N@@H+]1CCCC2(CCC2)C1 ZINC001144307559 1048585967 /nfs/dbraw/zinc/58/59/67/1048585967.db2.gz ABLFCQGPHRHJKJ-UHFFFAOYSA-N 1 1 328.225 4.060 20 10 EICDMO Oc1cc(F)c(Br)cc1C[N@H+]1CCCC2(CCC2)C1 ZINC001144307559 1048585984 /nfs/dbraw/zinc/58/59/84/1048585984.db2.gz ABLFCQGPHRHJKJ-UHFFFAOYSA-N 1 1 328.225 4.060 20 10 EICDMO CC[C@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1ccc(F)cc1O ZINC000810253142 1048729685 /nfs/dbraw/zinc/72/96/85/1048729685.db2.gz MQOXKNKIKRCGLJ-YJBOKZPZSA-N 1 1 335.444 4.122 20 10 EICDMO COc1cc(O)c(C[N@@H+](C)[C@@H](C)CSc2ccccc2)cc1OC ZINC000846000998 1048779935 /nfs/dbraw/zinc/77/99/35/1048779935.db2.gz YEEADKGLOCOVIP-AWEZNQCLSA-N 1 1 347.480 4.022 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1cnn(CC(F)F)c1)C1CCCCC1 ZINC000816480316 1048810411 /nfs/dbraw/zinc/81/04/11/1048810411.db2.gz JSQIWPCLLQDBMX-UHFFFAOYSA-N 1 1 349.425 4.189 20 10 EICDMO COc1ccc(C[N@@H+](C)Cc2ccc3ccccc3c2O)c(OC)c1 ZINC000816481634 1048813044 /nfs/dbraw/zinc/81/30/44/1048813044.db2.gz CNBWISAKJVNJKS-UHFFFAOYSA-N 1 1 337.419 4.195 20 10 EICDMO Oc1c(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)ccc2ccccc21 ZINC000816488255 1048813858 /nfs/dbraw/zinc/81/38/58/1048813858.db2.gz NPANZPFFQFTJFN-HXUWFJFHSA-N 1 1 337.394 4.258 20 10 EICDMO C[N@@H+](Cc1ccc(Sc2ccccn2)o1)Cc1ccccc1O ZINC000816492818 1048814430 /nfs/dbraw/zinc/81/44/30/1048814430.db2.gz FAGWLRAROKOYFU-UHFFFAOYSA-N 1 1 326.421 4.163 20 10 EICDMO Oc1c(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)ccc2ccccc21 ZINC000816488254 1048814653 /nfs/dbraw/zinc/81/46/53/1048814653.db2.gz NPANZPFFQFTJFN-FQEVSTJZSA-N 1 1 337.394 4.258 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000816538401 1048827112 /nfs/dbraw/zinc/82/71/12/1048827112.db2.gz PZVBXIJDEMADKM-HNNXBMFYSA-N 1 1 339.769 4.327 20 10 EICDMO CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816557794 1048834202 /nfs/dbraw/zinc/83/42/02/1048834202.db2.gz BKWQSPHPWVUWPX-QGZVFWFLSA-N 1 1 326.484 4.003 20 10 EICDMO CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816557794 1048834203 /nfs/dbraw/zinc/83/42/03/1048834203.db2.gz BKWQSPHPWVUWPX-QGZVFWFLSA-N 1 1 326.484 4.003 20 10 EICDMO CC(C)n1cc2c(n1)[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)CCC2 ZINC000816570368 1048836558 /nfs/dbraw/zinc/83/65/58/1048836558.db2.gz RNUUWASDERFOSV-HNNXBMFYSA-N 1 1 337.826 4.129 20 10 EICDMO CC(C)n1cc2c(n1)[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)CCC2 ZINC000816570369 1048837248 /nfs/dbraw/zinc/83/72/48/1048837248.db2.gz RNUUWASDERFOSV-OAHLLOKOSA-N 1 1 337.826 4.129 20 10 EICDMO CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)c1ccccc1F ZINC000846188586 1048838310 /nfs/dbraw/zinc/83/83/10/1048838310.db2.gz GVCHJAIPKFDTRG-SJCJKPOMSA-N 1 1 331.387 4.120 20 10 EICDMO CCC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@@H](O)c1ccccc1 ZINC000816594642 1048841101 /nfs/dbraw/zinc/84/11/01/1048841101.db2.gz KPLSCRFRJSDASW-WMZOPIPTSA-N 1 1 337.822 4.177 20 10 EICDMO Oc1c(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)ccc2ccccc21 ZINC000816614802 1048845292 /nfs/dbraw/zinc/84/52/92/1048845292.db2.gz GCAQUHSDPSSISC-FQEVSTJZSA-N 1 1 344.458 4.182 20 10 EICDMO CC1(C)C[N@H+](Cc2ccc3ccccc3c2O)C[C@@H](C(F)(F)F)O1 ZINC000816616734 1048845863 /nfs/dbraw/zinc/84/58/63/1048845863.db2.gz FEGNYTURHMXIEA-HNNXBMFYSA-N 1 1 339.357 4.087 20 10 EICDMO CC1(C)C[N@@H+](Cc2ccc3ccccc3c2O)C[C@@H](C(F)(F)F)O1 ZINC000816616734 1048845869 /nfs/dbraw/zinc/84/58/69/1048845869.db2.gz FEGNYTURHMXIEA-HNNXBMFYSA-N 1 1 339.357 4.087 20 10 EICDMO CC[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)s1 ZINC000817942780 1049060721 /nfs/dbraw/zinc/06/07/21/1049060721.db2.gz QYNUEXOVBKSRNM-GJZGRUSLSA-N 1 1 337.920 4.208 20 10 EICDMO CC1(C)C[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@H]1[C@@H]1CCCO1 ZINC000811510865 1049124106 /nfs/dbraw/zinc/12/41/06/1049124106.db2.gz QJFAFQZYLUKZDF-PMACEKPBSA-N 1 1 328.500 4.066 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)c1O ZINC000812880928 1049620472 /nfs/dbraw/zinc/62/04/72/1049620472.db2.gz GYSFTCIZKYXPON-CABCVRRESA-N 1 1 347.352 4.287 20 10 EICDMO Oc1ccccc1C[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000179568792 1049678217 /nfs/dbraw/zinc/67/82/17/1049678217.db2.gz HGTWSKVPXOHNKE-QGZVFWFLSA-N 1 1 335.407 4.169 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)[C@@H]1OCCc2sccc21 ZINC000813885808 1049831500 /nfs/dbraw/zinc/83/15/00/1049831500.db2.gz XTJVBCOFIMTQMD-GBNMTWHSSA-N 1 1 339.407 4.085 20 10 EICDMO C[N@H+](Cc1ccccc1O)[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171988778 1049832239 /nfs/dbraw/zinc/83/22/39/1049832239.db2.gz UXWLQTVQOSTAPD-HXUWFJFHSA-N 1 1 338.495 4.267 20 10 EICDMO C[N@@H+](Cc1ccccc1O)[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171988778 1049832241 /nfs/dbraw/zinc/83/22/41/1049832241.db2.gz UXWLQTVQOSTAPD-HXUWFJFHSA-N 1 1 338.495 4.267 20 10 EICDMO CC[C@H](C)OCC[C@H](C)[NH2+]Cc1cc(Cl)c2cccnc2c1O ZINC001172323359 1049878354 /nfs/dbraw/zinc/87/83/54/1049878354.db2.gz BWUZPIHLVNKCRU-STQMWFEESA-N 1 1 336.863 4.277 20 10 EICDMO CC[C@H](C)OCC[C@@H](C)[N@H+]1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001172338081 1049887798 /nfs/dbraw/zinc/88/77/98/1049887798.db2.gz ACYNOFJHYNKIIU-CVEARBPZSA-N 1 1 344.499 4.139 20 10 EICDMO COc1ccc(C[N@@H+](C)Cc2cccc(Cl)c2Cl)c(O)c1 ZINC001203627757 1050174794 /nfs/dbraw/zinc/17/47/94/1050174794.db2.gz NKSLACZBYFROMD-UHFFFAOYSA-N 1 1 326.223 4.340 20 10 EICDMO C[NH+]1CCN(c2ccc(CNc3ccc4ccccc4c3)cc2F)CC1 ZINC001177371211 1050198790 /nfs/dbraw/zinc/19/87/90/1050198790.db2.gz XYKQUVDFXKSYBC-UHFFFAOYSA-N 1 1 349.453 4.343 20 10 EICDMO Cc1c2ccccc2n(C)c1C[NH2+]CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 ZINC001177492033 1050229459 /nfs/dbraw/zinc/22/94/59/1050229459.db2.gz MAMZMNIKGWRAOR-IRXDYDNUSA-N 1 1 341.543 4.333 20 10 EICDMO COc1c(O)c(C[NH2+][C@@H](c2ccccc2C)C(C)C)ccc1[N+](=O)[O-] ZINC000775014046 1050313996 /nfs/dbraw/zinc/31/39/96/1050313996.db2.gz XXMYIYUWNIAAEH-QGZVFWFLSA-N 1 1 344.411 4.104 20 10 EICDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173229790 1050357069 /nfs/dbraw/zinc/35/70/69/1050357069.db2.gz ACIVDHZXZPYLPR-MRXNPFEDSA-N 1 1 341.455 4.114 20 10 EICDMO CCOC(=O)CC[N@@H+](Cc1ccccc1)Cc1cc(Cl)ccc1O ZINC001203650986 1050452857 /nfs/dbraw/zinc/45/28/57/1050452857.db2.gz HMWHJOXTRNGFJR-UHFFFAOYSA-N 1 1 347.842 4.001 20 10 EICDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)C1Cc2cc(F)c(F)cc2C1 ZINC001173480874 1050461903 /nfs/dbraw/zinc/46/19/03/1050461903.db2.gz CXECMAOPXDXKAK-UHFFFAOYSA-N 1 1 330.422 4.020 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000773753367 1050507995 /nfs/dbraw/zinc/50/79/95/1050507995.db2.gz HSVPKESLZQCUFR-RBUKOAKNSA-N 1 1 344.524 4.292 20 10 EICDMO CCCc1cccc(C[NH2+]Cc2cccc(Br)c2O)c1 ZINC000775148275 1050634073 /nfs/dbraw/zinc/63/40/73/1050634073.db2.gz ZTPOLJAWOPQOMR-UHFFFAOYSA-N 1 1 334.257 4.397 20 10 EICDMO Cc1c2ccccc2n(C)c1C[NH2+]Cc1noc2c1CC(C)(C)CC2 ZINC001179502511 1050713125 /nfs/dbraw/zinc/71/31/25/1050713125.db2.gz RDZQQGHLCOAFRO-UHFFFAOYSA-N 1 1 337.467 4.279 20 10 EICDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC001179855035 1050799098 /nfs/dbraw/zinc/79/90/98/1050799098.db2.gz MMQMDSDRHRALSD-ZDUSSCGKSA-N 1 1 335.419 4.285 20 10 EICDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC001179855035 1050799112 /nfs/dbraw/zinc/79/91/12/1050799112.db2.gz MMQMDSDRHRALSD-ZDUSSCGKSA-N 1 1 335.419 4.285 20 10 EICDMO CC(C)CCOC1CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC001179989533 1050842549 /nfs/dbraw/zinc/84/25/49/1050842549.db2.gz QDGLVJBKBBLCTO-UHFFFAOYSA-N 1 1 340.458 4.058 20 10 EICDMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2cc(Cl)cc(F)c2[O-])c1 ZINC001179967107 1050850675 /nfs/dbraw/zinc/85/06/75/1050850675.db2.gz YDWYULXONHGCSL-MRXNPFEDSA-N 1 1 349.833 4.400 20 10 EICDMO CCc1cccc(C[N@H+]2CCC[C@@H]2Cc2cccc(OC)c2)c1O ZINC001179966791 1050851200 /nfs/dbraw/zinc/85/12/00/1050851200.db2.gz SWTWHLSZVNJBEE-LJQANCHMSA-N 1 1 325.452 4.170 20 10 EICDMO Cc1cc(O)c(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1Cl ZINC001180077733 1050877632 /nfs/dbraw/zinc/87/76/32/1050877632.db2.gz TXIHQIIAFAQBGN-YVEFUNNKSA-N 1 1 337.872 4.378 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1Cl ZINC001180077733 1050877636 /nfs/dbraw/zinc/87/76/36/1050877636.db2.gz TXIHQIIAFAQBGN-YVEFUNNKSA-N 1 1 337.872 4.378 20 10 EICDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(Cl)c(C)cc1O ZINC001180108853 1050887593 /nfs/dbraw/zinc/88/75/93/1050887593.db2.gz YQNTUXHIWWWWJR-UHFFFAOYSA-N 1 1 349.858 4.393 20 10 EICDMO CC(C)c1cnc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000182948701 1050903005 /nfs/dbraw/zinc/90/30/05/1050903005.db2.gz SRULFQUMYRFIAE-MRXNPFEDSA-N 1 1 346.496 4.153 20 10 EICDMO CC(C)c1cnc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000182948701 1050903019 /nfs/dbraw/zinc/90/30/19/1050903019.db2.gz SRULFQUMYRFIAE-MRXNPFEDSA-N 1 1 346.496 4.153 20 10 EICDMO Cc1ccc(C[N@@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)c(O)c1 ZINC001180194879 1050926753 /nfs/dbraw/zinc/92/67/53/1050926753.db2.gz NAAUCZFYXRLMOE-CTNGQTDRSA-N 1 1 325.452 4.300 20 10 EICDMO Oc1c(F)cc(F)cc1C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC001180289126 1050954723 /nfs/dbraw/zinc/95/47/23/1050954723.db2.gz UOAKMDZTKPSODF-UHFFFAOYSA-N 1 1 335.369 4.264 20 10 EICDMO Cc1ccc(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c(O)c1 ZINC001180289286 1050956616 /nfs/dbraw/zinc/95/66/16/1050956616.db2.gz YSEZUMSMUVTSEQ-NQIIRXRSSA-N 1 1 338.495 4.186 20 10 EICDMO CC[N@@H+](CCCc1ccc2c(c1)CCO2)Cc1ccc(N(C)C)cc1 ZINC001180480003 1051000853 /nfs/dbraw/zinc/00/08/53/1051000853.db2.gz VGYBQULLVGHJQB-UHFFFAOYSA-N 1 1 338.495 4.142 20 10 EICDMO C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ccccc1O ZINC000183421489 1051116851 /nfs/dbraw/zinc/11/68/51/1051116851.db2.gz UNQUMBBENRJMAS-ROUUACIJSA-N 1 1 338.495 4.475 20 10 EICDMO CCC1CCC([N@@H+](CCO)Cc2cc(Cl)c(C)cc2O)CC1 ZINC001181418494 1051218772 /nfs/dbraw/zinc/21/87/72/1051218772.db2.gz MVGPMOCEUVWWLV-UHFFFAOYSA-N 1 1 325.880 4.117 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CCN(c3cccc(F)c3)C[C@H]2C)cc1Cl ZINC001182114569 1051392637 /nfs/dbraw/zinc/39/26/37/1051392637.db2.gz AEFATNAFTPIVOI-CQSZACIVSA-N 1 1 348.849 4.204 20 10 EICDMO C[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1cc(Cl)c(Cl)cc1O ZINC000774120912 1051463905 /nfs/dbraw/zinc/46/39/05/1051463905.db2.gz VZTDCZPYYAOUJL-QMTHXVAHSA-N 1 1 343.254 4.246 20 10 EICDMO CN(c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1)C1CCCCC1 ZINC000774159059 1051488636 /nfs/dbraw/zinc/48/86/36/1051488636.db2.gz MLYGGWGENAIHAH-CZAFVFSZSA-N 1 1 341.543 4.170 20 10 EICDMO CN(c1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1)C1CCCCC1 ZINC000774159059 1051488646 /nfs/dbraw/zinc/48/86/46/1051488646.db2.gz MLYGGWGENAIHAH-CZAFVFSZSA-N 1 1 341.543 4.170 20 10 EICDMO CN(c1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1)C1CCCCC1 ZINC000774159059 1051488656 /nfs/dbraw/zinc/48/86/56/1051488656.db2.gz MLYGGWGENAIHAH-CZAFVFSZSA-N 1 1 341.543 4.170 20 10 EICDMO C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1cc(Cl)c(Cl)cc1O ZINC000774198291 1051497469 /nfs/dbraw/zinc/49/74/69/1051497469.db2.gz OMZDRTKOGIBHSI-MEDUHNTESA-N 1 1 340.250 4.473 20 10 EICDMO C[C@H]([NH2+][C@H](CO)c1cccc(F)c1)c1cc(Cl)c(Cl)cc1O ZINC000774245976 1051520801 /nfs/dbraw/zinc/52/08/01/1051520801.db2.gz WSKSMWYGTBAVCB-BJOHPYRUSA-N 1 1 344.213 4.222 20 10 EICDMO CC[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cc(Cl)ccc1[O-] ZINC000775488402 1051578932 /nfs/dbraw/zinc/57/89/32/1051578932.db2.gz SQWNWOPDYYEKLN-GOSISDBHSA-N 1 1 332.875 4.348 20 10 EICDMO COc1cc(O)c(C[N@H+]2CC[C@H]([C@H]3CCCC3(C)C)C2)cc1OC ZINC001182534579 1051633748 /nfs/dbraw/zinc/63/37/48/1051633748.db2.gz WPLVVMHNXZSPAZ-GOEBONIOSA-N 1 1 333.472 4.058 20 10 EICDMO COc1cc(C)cc(C[N@H+]2CCc3ccc(C(C)C)cc3C2)c1O ZINC001182780948 1051712269 /nfs/dbraw/zinc/71/22/69/1051712269.db2.gz GDQZIHRFDVVWLZ-UHFFFAOYSA-N 1 1 325.452 4.391 20 10 EICDMO CCOc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC001192412002 1051725234 /nfs/dbraw/zinc/72/52/34/1051725234.db2.gz FNQDXDRTGXRWGC-UHFFFAOYSA-N 1 1 330.859 4.061 20 10 EICDMO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)CCO2 ZINC000775574224 1051876276 /nfs/dbraw/zinc/87/62/76/1051876276.db2.gz OJSOHHMRDMNUDV-GTNSWQLSSA-N 1 1 349.377 4.244 20 10 EICDMO C[C@H](C[NH2+]Cc1c(O)cccc1F)c1ccc(C(F)(F)F)cc1 ZINC001183920056 1051927531 /nfs/dbraw/zinc/92/75/31/1051927531.db2.gz UGNWSAQLEKPJJJ-LLVKDONJSA-N 1 1 327.321 4.443 20 10 EICDMO CN(C)c1ccc(C[NH2+]CC2(N3CCCCC3)CCCCC2)cc1F ZINC001177108986 1052232529 /nfs/dbraw/zinc/23/25/29/1052232529.db2.gz VHCVEZHLULJEDO-UHFFFAOYSA-N 1 1 347.522 4.170 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1O ZINC000184911990 1052295030 /nfs/dbraw/zinc/29/50/30/1052295030.db2.gz PCXQRDCRDIFFOO-SNVBAGLBSA-N 1 1 329.293 4.281 20 10 EICDMO CSCC1(CC[NH2+]Cc2cc(C)cc(Br)c2O)CC1 ZINC000850355453 1053128777 /nfs/dbraw/zinc/12/87/77/1053128777.db2.gz FGNPQXAEDOOYKU-UHFFFAOYSA-N 1 1 344.318 4.086 20 10 EICDMO CC(C)[C@@H](O)[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccccc1 ZINC000850395444 1053165055 /nfs/dbraw/zinc/16/50/55/1053165055.db2.gz SHEFINXWIGCDKL-ZWKOTPCHSA-N 1 1 337.822 4.033 20 10 EICDMO C[N@H+](Cc1nc2c(s1)CCC2)Cc1ccc(N2CCCCC2)cc1 ZINC000775634237 1053255782 /nfs/dbraw/zinc/25/57/82/1053255782.db2.gz QCCVMHGYAZCPDU-UHFFFAOYSA-N 1 1 341.524 4.254 20 10 EICDMO C[N@@H+](Cc1nc2c(s1)CCC2)Cc1ccc(N2CCCCC2)cc1 ZINC000775634237 1053255797 /nfs/dbraw/zinc/25/57/97/1053255797.db2.gz QCCVMHGYAZCPDU-UHFFFAOYSA-N 1 1 341.524 4.254 20 10 EICDMO Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(Cl)cc(C)c2O)c1C ZINC000775642384 1053302363 /nfs/dbraw/zinc/30/23/63/1053302363.db2.gz GNRZJTFKVLWUKI-UHFFFAOYSA-N 1 1 346.858 4.041 20 10 EICDMO Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(Cl)cc(C)c2O)c1C ZINC000775642384 1053302374 /nfs/dbraw/zinc/30/23/74/1053302374.db2.gz GNRZJTFKVLWUKI-UHFFFAOYSA-N 1 1 346.858 4.041 20 10 EICDMO C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1O ZINC000850555534 1053311591 /nfs/dbraw/zinc/31/15/91/1053311591.db2.gz HRVRXPKFYRTNOJ-FVMDXXJSSA-N 1 1 344.213 4.222 20 10 EICDMO CCN(C)c1ccc([C@H](C)[NH2+][C@H](c2nccn2C)c2ccccc2)cc1 ZINC000764811209 1053321861 /nfs/dbraw/zinc/32/18/61/1053321861.db2.gz XHJLZKWYBIBIGD-UWJYYQICSA-N 1 1 348.494 4.316 20 10 EICDMO C[C@H](O)[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)c1ccccc1 ZINC000850584623 1053334433 /nfs/dbraw/zinc/33/44/33/1053334433.db2.gz RXOJDSPQTXLAEW-MQIPJXDCSA-N 1 1 339.357 4.184 20 10 EICDMO Cc1cc(Cl)cc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)c1O ZINC000775661950 1053429420 /nfs/dbraw/zinc/42/94/20/1053429420.db2.gz SDWSATSJRICKHC-QGZVFWFLSA-N 1 1 335.831 4.128 20 10 EICDMO COc1ccc(N(C)CC[N@@H+](C)[C@H]2CCc3cc(Cl)ccc32)cc1 ZINC001195787715 1053485416 /nfs/dbraw/zinc/48/54/16/1053485416.db2.gz CHVPDARHBQHUIW-FQEVSTJZSA-N 1 1 344.886 4.404 20 10 EICDMO Cc1cccc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1O ZINC000775688412 1053594766 /nfs/dbraw/zinc/59/47/66/1053594766.db2.gz QZTFTBZSXDOREH-GHTZIAJQSA-N 1 1 338.495 4.186 20 10 EICDMO CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1[O-] ZINC000853240306 1053655978 /nfs/dbraw/zinc/65/59/78/1053655978.db2.gz OSPZUWUCLMNJKX-QAPCUYQASA-N 1 1 336.907 4.208 20 10 EICDMO CC[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)c1ccc(F)cc1O ZINC000853242126 1053657745 /nfs/dbraw/zinc/65/77/45/1053657745.db2.gz WJYPALBYKNAHIA-CQSZACIVSA-N 1 1 328.309 4.186 20 10 EICDMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1O ZINC000111236137 1053666121 /nfs/dbraw/zinc/66/61/21/1053666121.db2.gz JXTNOIRHUDAWFA-HOTGVXAUSA-N 1 1 340.467 4.365 20 10 EICDMO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1O ZINC000111236135 1053666958 /nfs/dbraw/zinc/66/69/58/1053666958.db2.gz JXTNOIRHUDAWFA-CVEARBPZSA-N 1 1 340.467 4.365 20 10 EICDMO COc1cc(O)c(C[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)cc1OC ZINC000853539099 1053685408 /nfs/dbraw/zinc/68/54/08/1053685408.db2.gz NDZDSUDZZAUYBI-IBGZPJMESA-N 1 1 343.423 4.120 20 10 EICDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1O ZINC000775724408 1053690328 /nfs/dbraw/zinc/69/03/28/1053690328.db2.gz CKXABJRLCJYQKG-LRDDRELGSA-N 1 1 337.872 4.378 20 10 EICDMO Cc1cc(Cl)cc(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1O ZINC000775724408 1053690330 /nfs/dbraw/zinc/69/03/30/1053690330.db2.gz CKXABJRLCJYQKG-LRDDRELGSA-N 1 1 337.872 4.378 20 10 EICDMO C[N@@H+](CC1=CCSC1)Cc1cc2oc3ccccc3c2cc1O ZINC000853619295 1053691753 /nfs/dbraw/zinc/69/17/53/1053691753.db2.gz YYQRRDOZWSZPFI-UHFFFAOYSA-N 1 1 325.433 4.397 20 10 EICDMO C[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)c1ccc(F)cc1O ZINC000866408816 1053716815 /nfs/dbraw/zinc/71/68/15/1053716815.db2.gz FEILDDUHNWAGPD-QLJPJBMISA-N 1 1 341.785 4.098 20 10 EICDMO C[C@H]([NH2+]Cc1ncc(Br)s1)c1cc(Cl)ccc1O ZINC000866619358 1053808530 /nfs/dbraw/zinc/80/85/30/1053808530.db2.gz BLOITKDNZNQPBV-ZETCQYMHSA-N 1 1 347.665 4.115 20 10 EICDMO C[C@@H]1C[C@@H]([NH2+]Cc2cc(COC(C)(C)C)on2)c2c1c(F)ccc2O ZINC000776866371 1054012341 /nfs/dbraw/zinc/01/23/41/1054012341.db2.gz FQZKFXYPYXCXSQ-IAQYHMDHSA-N 1 1 348.418 4.173 20 10 EICDMO Cc1cc(Br)cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2C)c1O ZINC000160962085 1054322796 /nfs/dbraw/zinc/32/27/96/1054322796.db2.gz VVSQRKRRCHLKEA-XHDPSFHLSA-N 1 1 326.278 4.474 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872022553 1054338421 /nfs/dbraw/zinc/33/84/21/1054338421.db2.gz JPMZZKCHPXMLJW-CQSZACIVSA-N 1 1 343.402 4.185 20 10 EICDMO CCC(CC)[C@@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)N1CCCC1 ZINC001199144942 1054349777 /nfs/dbraw/zinc/34/97/77/1054349777.db2.gz ZQLSKGYJFKZGAC-MZMPXXGTSA-N 1 1 343.559 4.256 20 10 EICDMO C[C@@H]([NH2+]Cc1ncc(Cl)s1)c1ccc(Br)cc1O ZINC000872114890 1054393669 /nfs/dbraw/zinc/39/36/69/1054393669.db2.gz DDORKYUXGCESKE-SSDOTTSWSA-N 1 1 347.665 4.115 20 10 EICDMO CN(C)c1cc(F)c(C[NH2+][C@H]2CSCc3ccccc32)cc1F ZINC000858118027 1054420897 /nfs/dbraw/zinc/42/08/97/1054420897.db2.gz LEWJWSPYGGXLFG-KRWDZBQOSA-N 1 1 334.435 4.109 20 10 EICDMO Cc1csc([C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C2CC2)n1 ZINC000858145870 1054425253 /nfs/dbraw/zinc/42/52/53/1054425253.db2.gz IBPCLVKQAQPBAC-MRXNPFEDSA-N 1 1 337.439 4.037 20 10 EICDMO Cc1csc([C@H]2CC[N@@H+](Cc3cc(C(C)(C)C)cc(O)c3O)C2)n1 ZINC000872807304 1054465532 /nfs/dbraw/zinc/46/55/32/1054465532.db2.gz MRVALTDPZJYFGU-ZDUSSCGKSA-N 1 1 346.496 4.150 20 10 EICDMO CN(C)c1ccc(C[NH2+]Cc2c(F)ccc(F)c2Cl)cc1F ZINC001199865039 1054488073 /nfs/dbraw/zinc/48/80/73/1054488073.db2.gz LTNFCCDNECWYLS-UHFFFAOYSA-N 1 1 328.765 4.113 20 10 EICDMO COc1cccc([C@H](C)[NH2+][C@@H](CCc2ccccc2)C(F)F)c1O ZINC000858491380 1054499282 /nfs/dbraw/zinc/49/92/82/1054499282.db2.gz GMRBQTYXPJLGME-BBRMVZONSA-N 1 1 335.394 4.318 20 10 EICDMO C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc(C(F)(F)F)nc1 ZINC000873184868 1054503595 /nfs/dbraw/zinc/50/35/95/1054503595.db2.gz KBKZAWHMOSODAG-MRVPVSSYSA-N 1 1 348.727 4.449 20 10 EICDMO COc1cccc(C[N@@H+](CCc2ccccc2)Cc2ccncc2)c1O ZINC000013990093 1055031897 /nfs/dbraw/zinc/03/18/97/1055031897.db2.gz JBQPXVHJEVRGLD-UHFFFAOYSA-N 1 1 348.446 4.041 20 10 EICDMO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3c(C)cccc3O)n2)cc1 ZINC000877471479 1055058727 /nfs/dbraw/zinc/05/87/27/1055058727.db2.gz XKUUEGGKBMXERB-CQSZACIVSA-N 1 1 337.423 4.164 20 10 EICDMO CCOc1cccc(C[N@H+]2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)c1O ZINC000877783733 1055122255 /nfs/dbraw/zinc/12/22/55/1055122255.db2.gz DZXSUSLJIANKIM-OAHLLOKOSA-N 1 1 343.471 4.017 20 10 EICDMO CCOc1cccc(C[N@@H+]2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)c1O ZINC000877783733 1055122263 /nfs/dbraw/zinc/12/22/63/1055122263.db2.gz DZXSUSLJIANKIM-OAHLLOKOSA-N 1 1 343.471 4.017 20 10 EICDMO CCOc1cccc(C[N@H+]2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)c1O ZINC000877783733 1055122268 /nfs/dbraw/zinc/12/22/68/1055122268.db2.gz DZXSUSLJIANKIM-OAHLLOKOSA-N 1 1 343.471 4.017 20 10 EICDMO C[C@H]([NH2+]Cc1noc2c1CC(C)(C)CC2)c1ccc(N(C)C)cc1 ZINC000878454793 1055314456 /nfs/dbraw/zinc/31/44/56/1055314456.db2.gz IOEYYOMCLYWWAQ-AWEZNQCLSA-N 1 1 327.472 4.106 20 10 EICDMO COc1cc(CNC2CC[NH+](C(C)(C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000850036142 1055326377 /nfs/dbraw/zinc/32/63/77/1055326377.db2.gz LHDHEJQTHWEPGL-UHFFFAOYSA-N 1 1 348.531 4.051 20 10 EICDMO COc1cc(C[NH2+]C2CCN(C(C)(C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000850036142 1055326386 /nfs/dbraw/zinc/32/63/86/1055326386.db2.gz LHDHEJQTHWEPGL-UHFFFAOYSA-N 1 1 348.531 4.051 20 10 EICDMO Nc1[nH+]cccc1Nc1ccc(Cl)cc1C(=O)c1ccccc1F ZINC001212399625 1055491517 /nfs/dbraw/zinc/49/15/17/1055491517.db2.gz HHNAGQMYHVTWGJ-UHFFFAOYSA-N 1 1 341.773 4.431 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)cc1C ZINC000742165268 1058524253 /nfs/dbraw/zinc/52/42/53/1058524253.db2.gz JEJQHBXMIRSBRP-UWJYYQICSA-N 1 1 325.452 4.279 20 10 EICDMO Cc1cc(O)c(C[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cc1C ZINC000742162879 1058541686 /nfs/dbraw/zinc/54/16/86/1058541686.db2.gz ODKZCDPDQCJIDQ-YWZLYKJASA-N 1 1 329.415 4.110 20 10 EICDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)c1 ZINC000743390766 1058974488 /nfs/dbraw/zinc/97/44/88/1058974488.db2.gz RRRSSDMMLVJCNQ-QGZVFWFLSA-N 1 1 329.415 4.481 20 10 EICDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@@H]2c2cccc(F)c2)c1 ZINC000743390766 1058974510 /nfs/dbraw/zinc/97/45/10/1058974510.db2.gz RRRSSDMMLVJCNQ-QGZVFWFLSA-N 1 1 329.415 4.481 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000743870093 1059187532 /nfs/dbraw/zinc/18/75/32/1059187532.db2.gz HDVBKHRZICMTFF-KRWDZBQOSA-N 1 1 340.467 4.248 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000743870178 1059193289 /nfs/dbraw/zinc/19/32/89/1059193289.db2.gz KJJBMVCBOONZAG-CQSZACIVSA-N 1 1 346.858 4.285 20 10 EICDMO CC[C@@H]([NH2+]CC[C@H](C)N(C)Cc1ccccc1)c1ccccc1O ZINC000379624592 1059617415 /nfs/dbraw/zinc/61/74/15/1059617415.db2.gz DLQDSYZXABMXJC-FXAWDEMLSA-N 1 1 326.484 4.344 20 10 EICDMO Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)ccc1N(C)C ZINC001169872572 1061016111 /nfs/dbraw/zinc/01/61/11/1061016111.db2.gz MBIMTQDSAJLLFA-VHHKXPHXSA-N 1 1 344.543 4.213 20 10 EICDMO C[N@@H+](Cc1nc2cc(C(F)(F)F)ccc2o1)Cc1ccccc1O ZINC000766884662 1061037948 /nfs/dbraw/zinc/03/79/48/1061037948.db2.gz DEVMHFVCYSECBS-UHFFFAOYSA-N 1 1 336.313 4.184 20 10 EICDMO Oc1ccccc1C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000179582521 1032563737 /nfs/dbraw/zinc/56/37/37/1032563737.db2.gz NAPYVZXWIWCHFW-LBPRGKRZSA-N 1 1 342.386 4.247 20 10 EICDMO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1nc(C(F)(F)F)cs1 ZINC000274607482 1018831111 /nfs/dbraw/zinc/83/11/11/1018831111.db2.gz MQPJJXDQCRSSOW-JTQLQIEISA-N 1 1 329.391 4.079 20 10 EICDMO Cc1nc2ccccn2c1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000160280394 1020486576 /nfs/dbraw/zinc/48/65/76/1020486576.db2.gz BTKZYBCHWJDSSH-UHFFFAOYSA-N 1 1 347.418 4.144 20 10 EICDMO Cc1nc2ccccn2c1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000160280394 1020486586 /nfs/dbraw/zinc/48/65/86/1020486586.db2.gz BTKZYBCHWJDSSH-UHFFFAOYSA-N 1 1 347.418 4.144 20 10 EICDMO CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1)c1ccccc1O ZINC000155384452 1020561502 /nfs/dbraw/zinc/56/15/02/1020561502.db2.gz MGGHOJKQDMHZJJ-HXUWFJFHSA-N 1 1 326.484 4.473 20 10 EICDMO C[N@H+](C/C=C/c1ccccc1)Cc1c(O)cccc1Br ZINC001140102965 1020656896 /nfs/dbraw/zinc/65/68/96/1020656896.db2.gz BCJQCNOMMKDFEK-RMKNXTFCSA-N 1 1 332.241 4.300 20 10 EICDMO C[N@@H+](C/C=C/c1ccccc1)Cc1c(O)cccc1Br ZINC001140102965 1020656905 /nfs/dbraw/zinc/65/69/05/1020656905.db2.gz BCJQCNOMMKDFEK-RMKNXTFCSA-N 1 1 332.241 4.300 20 10 EICDMO COc1cccc(C[N@@H+](Cc2ccco2)Cc2cccs2)c1O ZINC000160659967 1022598278 /nfs/dbraw/zinc/59/82/78/1022598278.db2.gz QPPQVHPYRKNURN-UHFFFAOYSA-N 1 1 329.421 4.258 20 10 EICDMO COc1c(F)cccc1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001143533072 1033070972 /nfs/dbraw/zinc/07/09/72/1033070972.db2.gz NFOSPSBJOXLMTF-UHFFFAOYSA-N 1 1 328.431 4.067 20 10 EICDMO COc1cc(F)c(F)cc1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001143394684 1023308799 /nfs/dbraw/zinc/30/87/99/1023308799.db2.gz LYALJJWLOBXKFQ-UHFFFAOYSA-N 1 1 346.421 4.206 20 10 EICDMO COc1cc(F)c(F)cc1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001143394684 1023308809 /nfs/dbraw/zinc/30/88/09/1023308809.db2.gz LYALJJWLOBXKFQ-UHFFFAOYSA-N 1 1 346.421 4.206 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H]2c2cccn2C)c1 ZINC000781895554 1023374765 /nfs/dbraw/zinc/37/47/65/1023374765.db2.gz VARVCWWLKUGFSU-INIZCTEOSA-N 1 1 349.272 4.139 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H]2c2cccn2C)c1 ZINC000781895554 1023374773 /nfs/dbraw/zinc/37/47/73/1023374773.db2.gz VARVCWWLKUGFSU-INIZCTEOSA-N 1 1 349.272 4.139 20 10 EICDMO CC[C@@H]([NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1)c1ccccc1O ZINC000364346517 1023656278 /nfs/dbraw/zinc/65/62/78/1023656278.db2.gz IJEZXUWYUAMZRC-XLIONFOSSA-N 1 1 339.414 4.095 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)Cc2cnc(-c3ccco3)s2)cc1 ZINC000194292897 1023758997 /nfs/dbraw/zinc/75/89/97/1023758997.db2.gz OTPRSHMGHZTYJC-UHFFFAOYSA-N 1 1 327.453 4.101 20 10 EICDMO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3cc(C)ccc3O)n2)cc1 ZINC000276727284 1023901882 /nfs/dbraw/zinc/90/18/82/1023901882.db2.gz GLWQDIMDJUQQGX-AWEZNQCLSA-N 1 1 337.423 4.164 20 10 EICDMO CCN(Cc1ccccc1)c1ccc(C[NH2+]Cc2cc(C)on2)cc1 ZINC000066875422 1024024570 /nfs/dbraw/zinc/02/45/70/1024024570.db2.gz FSVWWQYOFBIWRI-UHFFFAOYSA-N 1 1 335.451 4.299 20 10 EICDMO C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310108600 1024350281 /nfs/dbraw/zinc/35/02/81/1024350281.db2.gz DQWQGWCIMOVFTQ-YJBOKZPZSA-N 1 1 344.886 4.046 20 10 EICDMO CC[C@@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)c1ccc(OC)cc1 ZINC000181820953 1024794500 /nfs/dbraw/zinc/79/45/00/1024794500.db2.gz YAKXUVWBZBQDEG-GOSISDBHSA-N 1 1 347.842 4.498 20 10 EICDMO CC[C@@H]([NH2+][C@@H](CC)c1ccc2c(c1)OCCO2)c1ccc(F)cc1O ZINC000796703705 1025018264 /nfs/dbraw/zinc/01/82/64/1025018264.db2.gz UJDBDSJRZPKIQN-DLBZAZTESA-N 1 1 345.414 4.495 20 10 EICDMO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1c(F)c(F)ccc1OC ZINC001143418693 1025024037 /nfs/dbraw/zinc/02/40/37/1025024037.db2.gz VKANZWQWAMDJIU-UHFFFAOYSA-N 1 1 334.410 4.062 20 10 EICDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1c(F)c(F)ccc1OC ZINC001143418693 1025024047 /nfs/dbraw/zinc/02/40/47/1025024047.db2.gz VKANZWQWAMDJIU-UHFFFAOYSA-N 1 1 334.410 4.062 20 10 EICDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)CC)cc2)[nH]1 ZINC000277256326 1025406758 /nfs/dbraw/zinc/40/67/58/1025406758.db2.gz OLMXYEPXSBKCCE-SOUVJXGZSA-N 1 1 329.492 4.186 20 10 EICDMO CC(C)Cc1ccc(C[NH2+]Cc2cccc(Br)c2O)cn1 ZINC000894044800 1033282907 /nfs/dbraw/zinc/28/29/07/1033282907.db2.gz FFEHZXBPUOKKRZ-UHFFFAOYSA-N 1 1 349.272 4.038 20 10 EICDMO COc1ccc(C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)c(O)c1OC ZINC000892119488 1025837350 /nfs/dbraw/zinc/83/73/50/1025837350.db2.gz DGDWXAZDTFDULL-OAHLLOKOSA-N 1 1 333.815 4.010 20 10 EICDMO COc1ccc(C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)c(O)c1OC ZINC000892119488 1025837354 /nfs/dbraw/zinc/83/73/54/1025837354.db2.gz DGDWXAZDTFDULL-OAHLLOKOSA-N 1 1 333.815 4.010 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)Cc1cc(Cl)cc(C(C)=O)c1O ZINC001167521432 1025908710 /nfs/dbraw/zinc/90/87/10/1025908710.db2.gz BXKJOBHMIYJXIZ-UHFFFAOYSA-N 1 1 347.842 4.366 20 10 EICDMO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000894514737 1026109160 /nfs/dbraw/zinc/10/91/60/1026109160.db2.gz BRVRYHIZLMXXQO-MRXNPFEDSA-N 1 1 345.439 4.001 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)cc1C ZINC000728905057 1026412457 /nfs/dbraw/zinc/41/24/57/1026412457.db2.gz WSNKFUMGPDYMDW-IBGZPJMESA-N 1 1 331.843 4.236 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCO[C@H](c3ccccc3Cl)C2)cc1C ZINC000728905057 1026412471 /nfs/dbraw/zinc/41/24/71/1026412471.db2.gz WSNKFUMGPDYMDW-IBGZPJMESA-N 1 1 331.843 4.236 20 10 EICDMO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896226179 1027347784 /nfs/dbraw/zinc/34/77/84/1027347784.db2.gz CWBKXRSEJIOKBI-GFCCVEGCSA-N 1 1 341.707 4.051 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H](C)CC(F)(F)F)c1 ZINC000840964870 1027932215 /nfs/dbraw/zinc/93/22/15/1027932215.db2.gz WJUTYFAAXPRDQU-VIFPVBQESA-N 1 1 340.183 4.141 20 10 EICDMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccc(Br)cn1 ZINC000281308214 1028499464 /nfs/dbraw/zinc/49/94/64/1028499464.db2.gz YZXVKGXWBWJLRI-UWVGGRQHSA-N 1 1 339.208 4.101 20 10 EICDMO CC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1ccc(F)cc1O ZINC000796664385 1028748679 /nfs/dbraw/zinc/74/86/79/1028748679.db2.gz WIFIWCKSIPJXAS-SJORKVTESA-N 1 1 348.487 4.471 20 10 EICDMO CC[N@@H+](Cc1cc(Cl)c(F)cc1O)C[C@@H](O)c1ccc(C)cc1 ZINC001204608012 1028807756 /nfs/dbraw/zinc/80/77/56/1028807756.db2.gz CKAITKWIPHFDLN-GOSISDBHSA-N 1 1 337.822 4.049 20 10 EICDMO CC[N@H+](Cc1cc(Cl)c(F)cc1O)C[C@@H](O)c1ccc(C)cc1 ZINC001204608012 1028807768 /nfs/dbraw/zinc/80/77/68/1028807768.db2.gz CKAITKWIPHFDLN-GOSISDBHSA-N 1 1 337.822 4.049 20 10 EICDMO COc1ccc(O)c([C@H](C)[NH2+][C@@H](c2nccs2)c2ccccc2)c1 ZINC000185235103 1030134542 /nfs/dbraw/zinc/13/45/42/1030134542.db2.gz JHZWVLYGQQUHCL-SCLBCKFNSA-N 1 1 340.448 4.298 20 10 EICDMO COc1ccc2c(c1)CCCC[N@H+]2C[C@H]1CCCC12CCOCC2 ZINC001168244016 1031438036 /nfs/dbraw/zinc/43/80/36/1031438036.db2.gz JJEHEMCNRMIFOU-GOSISDBHSA-N 1 1 329.484 4.435 20 10 EICDMO COc1ccc2c(c1)CCCC[N@@H+]2C[C@H]1CCCC12CCOCC2 ZINC001168244016 1031438047 /nfs/dbraw/zinc/43/80/47/1031438047.db2.gz JJEHEMCNRMIFOU-GOSISDBHSA-N 1 1 329.484 4.435 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000015571544 1034632546 /nfs/dbraw/zinc/63/25/46/1034632546.db2.gz FCQBLSLVWDURQK-UHFFFAOYSA-N 1 1 339.439 4.217 20 10 EICDMO CC[C@@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccc(C)cc1O ZINC000279990464 1035115160 /nfs/dbraw/zinc/11/51/60/1035115160.db2.gz FHNMLVTYKGBMDV-LJQANCHMSA-N 1 1 330.447 4.142 20 10 EICDMO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)c1O ZINC000761195170 1036021106 /nfs/dbraw/zinc/02/11/06/1036021106.db2.gz IAKXSEMJXNNVRZ-ACJLOTCBSA-N 1 1 347.842 4.016 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)c1O ZINC000761195170 1036021147 /nfs/dbraw/zinc/02/11/47/1036021147.db2.gz IAKXSEMJXNNVRZ-ACJLOTCBSA-N 1 1 347.842 4.016 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)c1O ZINC000761203384 1036039185 /nfs/dbraw/zinc/03/91/85/1036039185.db2.gz QWGBWIOAEHMYHZ-QGZVFWFLSA-N 1 1 349.883 4.344 20 10 EICDMO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](c3ccccc3OC)C2)c1O ZINC000761203391 1036040601 /nfs/dbraw/zinc/04/06/01/1036040601.db2.gz RCVUPGNHSZSREB-ZDUSSCGKSA-N 1 1 347.842 4.052 20 10 EICDMO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC001168372449 1037038968 /nfs/dbraw/zinc/03/89/68/1037038968.db2.gz XSZSGPBWXALENR-NRFANRHFSA-N 1 1 342.527 4.096 20 10 EICDMO Cc1ccc([C@H](C)[NH2+][C@H](C)c2noc(-c3ccccc3)n2)c(O)c1C ZINC000273370084 1037442171 /nfs/dbraw/zinc/44/21/71/1037442171.db2.gz CGPZMZXNHHZREC-LSDHHAIUSA-N 1 1 337.423 4.471 20 10 EICDMO C[N@@H+](Cc1cc(F)ccc1O)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273508965 1037490366 /nfs/dbraw/zinc/49/03/66/1037490366.db2.gz QLLPUEWSQUHFFS-MJGOQNOKSA-N 1 1 333.378 4.023 20 10 EICDMO CO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)cs1 ZINC000273621524 1037528451 /nfs/dbraw/zinc/52/84/51/1037528451.db2.gz ZEXXIFADJGSZBV-UWVGGRQHSA-N 1 1 326.849 4.060 20 10 EICDMO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC000311073422 1041252503 /nfs/dbraw/zinc/25/25/03/1041252503.db2.gz KNNOACVXAZUYKK-HBFSDRIKSA-N 1 1 338.495 4.262 20 10 EICDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C2=CC(=O)CS2)c1 ZINC000761582145 1042886152 /nfs/dbraw/zinc/88/61/52/1042886152.db2.gz MURFUFPCWQPVBS-UHFFFAOYSA-N 1 1 346.496 4.006 20 10 EICDMO Oc1ccccc1C[N@H+](C[C@@H](O)c1ccc(F)c(F)c1)C1CCCC1 ZINC000732204759 1043887383 /nfs/dbraw/zinc/88/73/83/1043887383.db2.gz CLWNUWJXYCPQQD-HXUWFJFHSA-N 1 1 347.405 4.149 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1noc2c1CCCC2)C1CCCC1 ZINC000732204337 1043887638 /nfs/dbraw/zinc/88/76/38/1043887638.db2.gz JBLVXFIYMAEXEA-UHFFFAOYSA-N 1 1 326.440 4.204 20 10 EICDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000732272305 1043890641 /nfs/dbraw/zinc/89/06/41/1043890641.db2.gz CQCPVOOAHQJGGK-UHFFFAOYSA-N 1 1 341.436 4.074 20 10 EICDMO CC[N@H+](Cc1nccn1Cc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000736945283 1044989978 /nfs/dbraw/zinc/98/99/78/1044989978.db2.gz OSVLUWRHVRGOKA-UHFFFAOYSA-N 1 1 348.494 4.020 20 10 EICDMO CC[N@@H+](Cc1nccn1Cc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000736945283 1044989995 /nfs/dbraw/zinc/98/99/95/1044989995.db2.gz OSVLUWRHVRGOKA-UHFFFAOYSA-N 1 1 348.494 4.020 20 10 EICDMO COc1cc(O)c(C[N@@H+](C)Cc2ccc3ccccc3c2)cc1OC ZINC000762174247 1045004357 /nfs/dbraw/zinc/00/43/57/1045004357.db2.gz YILQKKWXGXZTPC-UHFFFAOYSA-N 1 1 337.419 4.195 20 10 EICDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000790935475 1045624428 /nfs/dbraw/zinc/62/44/28/1045624428.db2.gz WTGSFNOVASLJLZ-UZLBHIALSA-N 1 1 325.452 4.185 20 10 EICDMO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000790948134 1045631950 /nfs/dbraw/zinc/63/19/50/1045631950.db2.gz XZUJEUXXJINEMP-UHFFFAOYSA-N 1 1 333.712 4.493 20 10 EICDMO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000790960019 1045637867 /nfs/dbraw/zinc/63/78/67/1045637867.db2.gz RQWUUPUAXKNKEF-DZGCQCFKSA-N 1 1 348.849 4.110 20 10 EICDMO CSCc1cccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)c1 ZINC000790993463 1045648110 /nfs/dbraw/zinc/64/81/10/1045648110.db2.gz WPQNQRSFHGDEHH-UHFFFAOYSA-N 1 1 325.836 4.338 20 10 EICDMO CC[N@@H+](Cc1cnc([C@H]2CCCO2)s1)Cc1ccc(N(C)C)cc1 ZINC000768131915 1045722286 /nfs/dbraw/zinc/72/22/86/1045722286.db2.gz BIHZGOUHYIWBFN-GOSISDBHSA-N 1 1 345.512 4.083 20 10 EICDMO COc1ccc(C[N@@H+](Cc2ccccc2O)C2CCCCC2)cc1O ZINC000768134241 1045723342 /nfs/dbraw/zinc/72/33/42/1045723342.db2.gz QOKAZHNVMQFDQI-UHFFFAOYSA-N 1 1 341.451 4.441 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1cnc2ccccc2c1)C[C@@H]1CCCO1 ZINC000768163438 1045729704 /nfs/dbraw/zinc/72/97/04/1045729704.db2.gz YXTSTXLPAMESJQ-FQEVSTJZSA-N 1 1 348.446 4.122 20 10 EICDMO CCN(Cc1ccccc1)c1ccc(C[N@@H+](C)Cc2cnn(C)c2)cc1 ZINC000768199678 1045740007 /nfs/dbraw/zinc/74/00/07/1045740007.db2.gz JALUKXJOPMHPJC-UHFFFAOYSA-N 1 1 348.494 4.079 20 10 EICDMO Oc1ccc(Cl)cc1C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000768203484 1045741075 /nfs/dbraw/zinc/74/10/75/1045741075.db2.gz HZXQTTWQXFLUDC-OAHLLOKOSA-N 1 1 337.872 4.288 20 10 EICDMO CN(C)c1ccc(C[N@H+](C)Cc2nc3ccccc3s2)cc1F ZINC000768200086 1045741569 /nfs/dbraw/zinc/74/15/69/1045741569.db2.gz MQDQZJVEVSFRIW-UHFFFAOYSA-N 1 1 329.444 4.133 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)Cc2nc3ccccc3s2)cc1F ZINC000768200086 1045741574 /nfs/dbraw/zinc/74/15/74/1045741574.db2.gz MQDQZJVEVSFRIW-UHFFFAOYSA-N 1 1 329.444 4.133 20 10 EICDMO COc1cccc(O)c1C[N@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000768204083 1045743935 /nfs/dbraw/zinc/74/39/35/1045743935.db2.gz QWOALIIFZCCOHN-LBPRGKRZSA-N 1 1 328.437 4.204 20 10 EICDMO COc1cccc(O)c1C[N@@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000768204083 1045743948 /nfs/dbraw/zinc/74/39/48/1045743948.db2.gz QWOALIIFZCCOHN-LBPRGKRZSA-N 1 1 328.437 4.204 20 10 EICDMO C/C(=C\c1ccccc1)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000768207317 1045744441 /nfs/dbraw/zinc/74/44/41/1045744441.db2.gz CHLYDLWMIGZQHP-KNTRCKAVSA-N 1 1 336.479 4.059 20 10 EICDMO COc1cccc(C[N@@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)c1O ZINC000768256338 1045766360 /nfs/dbraw/zinc/76/63/60/1045766360.db2.gz CLKZQTJGTWZLSV-SUMWQHHRSA-N 1 1 327.424 4.282 20 10 EICDMO Cc1ccc([C@H](C)[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000768269491 1045772772 /nfs/dbraw/zinc/77/27/72/1045772772.db2.gz UESLIIDCTWNGHK-IBGZPJMESA-N 1 1 338.495 4.333 20 10 EICDMO Cc1cc(O)c(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1C ZINC000768335585 1045789184 /nfs/dbraw/zinc/78/91/84/1045789184.db2.gz YEZIYTIFWRFXOV-UHFFFAOYSA-N 1 1 326.396 4.082 20 10 EICDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000768330188 1045790812 /nfs/dbraw/zinc/79/08/12/1045790812.db2.gz PGQHYSAUTAXTHK-JOCHJYFZSA-N 1 1 336.479 4.169 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCCC[C@@H]2c2ccc(C)cc2)cc1OC ZINC000768446177 1045806980 /nfs/dbraw/zinc/80/69/80/1045806980.db2.gz KKFBGEPMYTUTBL-GOSISDBHSA-N 1 1 341.451 4.445 20 10 EICDMO COc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(O)cc1C ZINC000768443137 1045807493 /nfs/dbraw/zinc/80/74/93/1045807493.db2.gz PFWRRORVTFSCGG-UHFFFAOYSA-N 1 1 344.411 4.028 20 10 EICDMO COc1cc(O)c(C[N@H+](Cc2ccccc2)CC2CCC2)cc1OC ZINC000768442556 1045807630 /nfs/dbraw/zinc/80/76/30/1045807630.db2.gz LUGBAIAOLSXTBA-UHFFFAOYSA-N 1 1 341.451 4.212 20 10 EICDMO COc1cc(C[N@H+]2CCC[C@H]2c2ccccc2OC)c(O)cc1C ZINC000768453612 1045808571 /nfs/dbraw/zinc/80/85/71/1045808571.db2.gz ZVUCWBXXIIJRTK-KRWDZBQOSA-N 1 1 327.424 4.055 20 10 EICDMO COc1cc(O)c(C[N@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)cc1OC ZINC000768465752 1045811017 /nfs/dbraw/zinc/81/10/17/1045811017.db2.gz KGOZQDGNEMXTRK-YJBOKZPZSA-N 1 1 341.451 4.035 20 10 EICDMO COc1cc(O)c(C[N@H+]2C[C@@H](C)C[C@H]2c2cccc(F)c2)cc1OC ZINC000768465493 1045811175 /nfs/dbraw/zinc/81/11/75/1045811175.db2.gz IEKHESKTOJGDEX-GUYCJALGSA-N 1 1 345.414 4.132 20 10 EICDMO COc1cccc(C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)c1O ZINC000768870608 1045850056 /nfs/dbraw/zinc/85/00/56/1045850056.db2.gz FQOXABOUFYWARY-UHFFFAOYSA-N 1 1 326.223 4.340 20 10 EICDMO COc1ccc(N2CCC[N@@H+](C[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 ZINC000768999147 1045875166 /nfs/dbraw/zinc/87/51/66/1045875166.db2.gz UJXMZPUCQNPPOD-DENIHFKCSA-N 1 1 336.479 4.011 20 10 EICDMO CC1(C)C[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1c1ccccc1 ZINC000769086465 1045881216 /nfs/dbraw/zinc/88/12/16/1045881216.db2.gz LYIHKHAYGBZHFL-NRFANRHFSA-N 1 1 336.479 4.106 20 10 EICDMO CC[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1ccc(F)cc1O ZINC000796942577 1045887682 /nfs/dbraw/zinc/88/76/82/1045887682.db2.gz UTCCWKRFSJEJLM-SJLPKXTDSA-N 1 1 337.822 4.133 20 10 EICDMO Oc1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000769245417 1045902243 /nfs/dbraw/zinc/90/22/43/1045902243.db2.gz RJICKKCUSYESAJ-MJGOQNOKSA-N 1 1 331.843 4.134 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000769309739 1045914418 /nfs/dbraw/zinc/91/44/18/1045914418.db2.gz FYANRGIPAGIVLH-HXUWFJFHSA-N 1 1 333.435 4.093 20 10 EICDMO Cc1ccc(C[N@H+](C)Cc2cc(Br)ccc2O)s1 ZINC000769315503 1045916560 /nfs/dbraw/zinc/91/65/60/1045916560.db2.gz BZLAPYWOLPKALN-UHFFFAOYSA-N 1 1 326.259 4.157 20 10 EICDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000769403467 1045953603 /nfs/dbraw/zinc/95/36/03/1045953603.db2.gz IGSNYDYHDDQMEZ-QFIPXVFZSA-N 1 1 338.495 4.352 20 10 EICDMO CCOc1cccc(C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)c1O ZINC000769461147 1045983049 /nfs/dbraw/zinc/98/30/49/1045983049.db2.gz OUGYRLHDZZLVTI-IBGZPJMESA-N 1 1 340.467 4.194 20 10 EICDMO CCOc1cccc(C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)c1O ZINC000769461149 1045983835 /nfs/dbraw/zinc/98/38/35/1045983835.db2.gz OUGYRLHDZZLVTI-LJQANCHMSA-N 1 1 340.467 4.194 20 10 EICDMO CCOc1ccc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)c(O)c1 ZINC000769476117 1045991473 /nfs/dbraw/zinc/99/14/73/1045991473.db2.gz WHWBONVTIAZHLC-IIBYNOLFSA-N 1 1 341.451 4.061 20 10 EICDMO Oc1ccc(Br)cc1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000769499924 1045998250 /nfs/dbraw/zinc/99/82/50/1045998250.db2.gz XTYKGXTYRPOKEI-DZGCQCFKSA-N 1 1 342.302 4.015 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](CCc2nccs2)C(C)C)cc1 ZINC000769516557 1046006686 /nfs/dbraw/zinc/00/66/86/1046006686.db2.gz MWXLUTWKPXCUFB-UHFFFAOYSA-N 1 1 331.529 4.442 20 10 EICDMO CCN(Cc1ccccc1)c1ccc(C[N@@H+](C)C[C@H]2CCOC2)cc1 ZINC000769534144 1046008392 /nfs/dbraw/zinc/00/83/92/1046008392.db2.gz SAQIDDSKOXCKLJ-OAQYLSRUSA-N 1 1 338.495 4.181 20 10 EICDMO CCSCC[C@@H](C)[N@@H+](C)Cc1cc(Br)ccc1O ZINC000769552085 1046020378 /nfs/dbraw/zinc/02/03/78/1046020378.db2.gz ZHPJSISDDMAQEY-LLVKDONJSA-N 1 1 332.307 4.118 20 10 EICDMO CC[N@@H+](Cc1ccc(Cl)s1)Cc1cc(C)cc(OC)c1O ZINC000916567670 1046096669 /nfs/dbraw/zinc/09/66/69/1046096669.db2.gz GAHCCGRAAGEOIU-UHFFFAOYSA-N 1 1 325.861 4.446 20 10 EICDMO CN(C)c1ccc(CNc2ccc3c(c2)C[N@H+](C)C3)c(C(F)(F)F)c1 ZINC000793059656 1046139865 /nfs/dbraw/zinc/13/98/65/1046139865.db2.gz QFELMSNLSKNUDC-UHFFFAOYSA-N 1 1 349.400 4.329 20 10 EICDMO CCc1cccc(F)c1C[NH2+]Cc1cccc(Br)c1O ZINC000793193945 1046169570 /nfs/dbraw/zinc/16/95/70/1046169570.db2.gz YBDSQBVIYSNAGE-UHFFFAOYSA-N 1 1 338.220 4.146 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1F ZINC000770293936 1046174762 /nfs/dbraw/zinc/17/47/62/1046174762.db2.gz ZTJNSLLOBPSKEQ-YJBOKZPZSA-N 1 1 348.487 4.041 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1C ZINC000770324515 1046181742 /nfs/dbraw/zinc/18/17/42/1046181742.db2.gz GYJUEJWTWSVDRU-PZJWPPBQSA-N 1 1 343.442 4.236 20 10 EICDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000793341376 1046203130 /nfs/dbraw/zinc/20/31/30/1046203130.db2.gz SSXVHLMKDORYRZ-KRWDZBQOSA-N 1 1 344.421 4.162 20 10 EICDMO COc1ccc(CC[N@H+](Cc2ccccc2O)CC(C)C)cc1OC ZINC000770509996 1046210371 /nfs/dbraw/zinc/21/03/71/1046210371.db2.gz FTDXLBMUZHSJCQ-UHFFFAOYSA-N 1 1 343.467 4.110 20 10 EICDMO C[C@H]([NH2+]CCc1ccc2cn[nH]c2c1)c1cc2c(cc1O)CCCC2 ZINC000793567585 1046296224 /nfs/dbraw/zinc/29/62/24/1046296224.db2.gz IMXPKBVQRVPNKW-AWEZNQCLSA-N 1 1 335.451 4.041 20 10 EICDMO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccn(Cc3ccccc3)n2)cc1 ZINC000793573934 1046306308 /nfs/dbraw/zinc/30/63/08/1046306308.db2.gz XPFZXTNVXAFLTN-SFHVURJKSA-N 1 1 348.494 4.238 20 10 EICDMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@H](CSC)C3)c2c1 ZINC000793794538 1046334739 /nfs/dbraw/zinc/33/47/39/1046334739.db2.gz XTBFXPYJCBDDSK-AWEZNQCLSA-N 1 1 331.481 4.129 20 10 EICDMO COc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)ccc1OC(C)C ZINC000771933453 1046525601 /nfs/dbraw/zinc/52/56/01/1046525601.db2.gz JGQMUWJQKWRWJX-UHFFFAOYSA-N 1 1 342.483 4.180 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(CSC(F)F)o2)cc1 ZINC000771934908 1046528544 /nfs/dbraw/zinc/52/85/44/1046528544.db2.gz HFYXHQABJSXBPK-UHFFFAOYSA-N 1 1 340.439 4.433 20 10 EICDMO COCc1cccc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000771935498 1046529341 /nfs/dbraw/zinc/52/93/41/1046529341.db2.gz WLTBZSGAAOXYGC-UHFFFAOYSA-N 1 1 338.495 4.455 20 10 EICDMO Cc1cccc2nc(C[N@@H+](Cc3ccc(N(C)C)cc3)C(C)C)cn21 ZINC000917075017 1046637142 /nfs/dbraw/zinc/63/71/42/1046637142.db2.gz OOBKAKHRPIXTCB-UHFFFAOYSA-N 1 1 336.483 4.119 20 10 EICDMO CCN(C)c1ccc([C@@H](C)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000806172496 1047157166 /nfs/dbraw/zinc/15/71/66/1047157166.db2.gz NENUJVPLMXZOBG-IIBYNOLFSA-N 1 1 343.490 4.235 20 10 EICDMO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCCC2(F)F)c1O ZINC000806180352 1047190169 /nfs/dbraw/zinc/19/01/69/1047190169.db2.gz NEFLPDATDFFJOA-JOYOIKCWSA-N 1 1 334.204 4.302 20 10 EICDMO CO[C@@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)c1ccccc1 ZINC000788561174 1047225621 /nfs/dbraw/zinc/22/56/21/1047225621.db2.gz FYGXBXIAOWTAFS-LRDDRELGSA-N 1 1 339.357 4.449 20 10 EICDMO CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000788593640 1047242148 /nfs/dbraw/zinc/24/21/48/1047242148.db2.gz HEVWHMDXGMMTQI-UONOGXRCSA-N 1 1 344.421 4.182 20 10 EICDMO CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788615196 1047250959 /nfs/dbraw/zinc/25/09/59/1047250959.db2.gz YDHSVVCJZTUUJM-QWHCGFSZSA-N 1 1 333.394 4.106 20 10 EICDMO CCC1(O)CCC([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000788652563 1047257060 /nfs/dbraw/zinc/25/70/60/1047257060.db2.gz RHOCRGMXMSMBEA-FZWSLVFFSA-N 1 1 331.378 4.145 20 10 EICDMO C[C@@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1cccc(C(F)(F)F)c1O ZINC000788776499 1047311885 /nfs/dbraw/zinc/31/18/85/1047311885.db2.gz OVSFBXMURSHKKA-OCCSQVGLSA-N 1 1 342.405 4.079 20 10 EICDMO CCOC[C@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1O)C(C)C ZINC000788984601 1047340179 /nfs/dbraw/zinc/34/01/79/1047340179.db2.gz LAVCSRGTRKYBHQ-YGRLFVJLSA-N 1 1 348.256 4.006 20 10 EICDMO Oc1ccc2oc3c(c2c1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1)CCCC3 ZINC000789510620 1047435627 /nfs/dbraw/zinc/43/56/27/1047435627.db2.gz BBSFUVRJGCWPHG-VQIMIIECSA-N 1 1 341.451 4.161 20 10 EICDMO COc1cc(O)c(C[N@H+]2CC(C)(C)[C@@H]2c2cccs2)cc1OC ZINC000808223419 1047631045 /nfs/dbraw/zinc/63/10/45/1047631045.db2.gz MCSRVFGTRUJFNX-KRWDZBQOSA-N 1 1 333.453 4.054 20 10 EICDMO COc1cccc(C[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)c1O ZINC000814178928 1047869217 /nfs/dbraw/zinc/86/92/17/1047869217.db2.gz JFYFZXCDLYDTPA-INIZCTEOSA-N 1 1 349.883 4.421 20 10 EICDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)c1 ZINC000814230434 1047899734 /nfs/dbraw/zinc/89/97/34/1047899734.db2.gz QDSWMKVOEXAOCI-IBGZPJMESA-N 1 1 340.467 4.373 20 10 EICDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC(C)(C)[C@@H]2c2ccncc2)c1 ZINC000814230434 1047899742 /nfs/dbraw/zinc/89/97/42/1047899742.db2.gz QDSWMKVOEXAOCI-IBGZPJMESA-N 1 1 340.467 4.373 20 10 EICDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)[nH]1 ZINC000808716324 1048064399 /nfs/dbraw/zinc/06/43/99/1048064399.db2.gz MMWRWDIHUPMYKO-ZMLRMANQSA-N 1 1 336.867 4.397 20 10 EICDMO COc1cc(C[N@@H+](C)[C@@H](C)c2ccccn2)c(O)c(C(C)(C)C)c1 ZINC000825451225 1048095093 /nfs/dbraw/zinc/09/50/93/1048095093.db2.gz RKGSHBFQAMWJBH-AWEZNQCLSA-N 1 1 328.456 4.286 20 10 EICDMO Cc1cc(O)c(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000825478423 1048095969 /nfs/dbraw/zinc/09/59/69/1048095969.db2.gz AKBVWIIBQSAIPE-HUUCEWRRSA-N 1 1 336.907 4.097 20 10 EICDMO Cc1cc([O-])c(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000825478423 1048095988 /nfs/dbraw/zinc/09/59/88/1048095988.db2.gz AKBVWIIBQSAIPE-HUUCEWRRSA-N 1 1 336.907 4.097 20 10 EICDMO Cc1cc([O-])c(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000825478423 1048096004 /nfs/dbraw/zinc/09/60/04/1048096004.db2.gz AKBVWIIBQSAIPE-HUUCEWRRSA-N 1 1 336.907 4.097 20 10 EICDMO COc1cc(C[N@@H+](C)[C@H](C)c2cccnc2)c(O)c(C(C)(C)C)c1 ZINC000825500910 1048104547 /nfs/dbraw/zinc/10/45/47/1048104547.db2.gz JVMQDULMTPMVKL-CQSZACIVSA-N 1 1 328.456 4.286 20 10 EICDMO Cc1cc(C[N@@H+](C)Cc2ccc(Br)o2)ccc1N(C)C ZINC000815010769 1048295906 /nfs/dbraw/zinc/29/59/06/1048295906.db2.gz YXBSZJLHGJNUQP-UHFFFAOYSA-N 1 1 337.261 4.049 20 10 EICDMO Oc1cc2c(cc1O)C[N@H+]([C@H]1CCc3cc(Cl)ccc3C1)CCC2 ZINC001171136822 1048410537 /nfs/dbraw/zinc/41/05/37/1048410537.db2.gz WPNWSHBQXSPEMT-SFHVURJKSA-N 1 1 343.854 4.057 20 10 EICDMO CC(C)(CO)[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccccc1 ZINC000809655154 1048457387 /nfs/dbraw/zinc/45/73/87/1048457387.db2.gz CIGNZBLQIMIRFY-KRWDZBQOSA-N 1 1 337.822 4.034 20 10 EICDMO COc1cccc(C[N@@H+]2C[C@H](C)CC[C@H]2c2ccccc2OC)c1O ZINC000809694676 1048459571 /nfs/dbraw/zinc/45/95/71/1048459571.db2.gz SYNLHHUHYLDHLB-QAPCUYQASA-N 1 1 341.451 4.383 20 10 EICDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000809700961 1048465203 /nfs/dbraw/zinc/46/52/03/1048465203.db2.gz RVFZPAHFHHJQTC-RXVVDRJESA-N 1 1 330.516 4.192 20 10 EICDMO Oc1ccc(Cl)cc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000809699995 1048466006 /nfs/dbraw/zinc/46/60/06/1048466006.db2.gz VPEBRQGUGGHARZ-QYZOEREBSA-N 1 1 343.854 4.050 20 10 EICDMO CCCN(CCC)c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000809705206 1048486613 /nfs/dbraw/zinc/48/66/13/1048486613.db2.gz PLPCMYMQGYMSFC-CBQGHPETSA-N 1 1 343.559 4.370 20 10 EICDMO CCCN(CCC)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000809705206 1048486637 /nfs/dbraw/zinc/48/66/37/1048486637.db2.gz PLPCMYMQGYMSFC-CBQGHPETSA-N 1 1 343.559 4.370 20 10 EICDMO CCCN(CCC)c1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000809705206 1048486650 /nfs/dbraw/zinc/48/66/50/1048486650.db2.gz PLPCMYMQGYMSFC-CBQGHPETSA-N 1 1 343.559 4.370 20 10 EICDMO CCCN(CCC)c1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000809705206 1048486666 /nfs/dbraw/zinc/48/66/66/1048486666.db2.gz PLPCMYMQGYMSFC-CBQGHPETSA-N 1 1 343.559 4.370 20 10 EICDMO C[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1cccc(C(F)(F)F)c1O ZINC000815562138 1048510060 /nfs/dbraw/zinc/51/00/60/1048510060.db2.gz XZOHNIZPSVLSGU-SECBINFHSA-N 1 1 330.737 4.310 20 10 EICDMO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000809756822 1048522358 /nfs/dbraw/zinc/52/23/58/1048522358.db2.gz JVCXDBROXNYMHK-LJQANCHMSA-N 1 1 326.488 4.210 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](Cc2ccccn2)C2CC2)cc1F ZINC000809764814 1048524577 /nfs/dbraw/zinc/52/45/77/1048524577.db2.gz ZYTYOAZKPOVWRH-UHFFFAOYSA-N 1 1 327.447 4.232 20 10 EICDMO COC[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)c1ccccc1 ZINC000815593633 1048527280 /nfs/dbraw/zinc/52/72/80/1048527280.db2.gz SOVIWHYJXIXHPR-LRDDRELGSA-N 1 1 339.357 4.449 20 10 EICDMO C[C@H]([NH2+]CC1(CO)CCCCC1)c1cccc(C(F)(F)F)c1O ZINC000815596111 1048530541 /nfs/dbraw/zinc/53/05/41/1048530541.db2.gz KWMUUJKRFDVIJO-LBPRGKRZSA-N 1 1 331.378 4.004 20 10 EICDMO C[C@@H]([NH2+]CCCOC1CCCC1)c1cccc(C(F)(F)F)c1O ZINC000815571917 1048535862 /nfs/dbraw/zinc/53/58/62/1048535862.db2.gz QCFNVMOXWWPVFY-GFCCVEGCSA-N 1 1 331.378 4.411 20 10 EICDMO C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1cccc(C(F)(F)F)c1O ZINC000815621977 1048547366 /nfs/dbraw/zinc/54/73/66/1048547366.db2.gz IOHLGGQWZTWNEH-LBPRGKRZSA-N 1 1 343.389 4.004 20 10 EICDMO C[C@@H]([NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O)c1cc[nH]c(=O)c1 ZINC000815642829 1048566993 /nfs/dbraw/zinc/56/69/93/1048566993.db2.gz MYMXQXVHSAIUEH-RKDXNWHRSA-N 1 1 327.211 4.211 20 10 EICDMO C[C@@]1(F)CCC[N@H+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144298565 1048574408 /nfs/dbraw/zinc/57/44/08/1048574408.db2.gz GSJMZSLDYOIPQM-CQSZACIVSA-N 1 1 334.204 4.008 20 10 EICDMO C[C@@]1(F)CCC[N@@H+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144298565 1048574423 /nfs/dbraw/zinc/57/44/23/1048574423.db2.gz GSJMZSLDYOIPQM-CQSZACIVSA-N 1 1 334.204 4.008 20 10 EICDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)cc(C(C)=O)c2O)cc1 ZINC000748046910 1048701627 /nfs/dbraw/zinc/70/16/27/1048701627.db2.gz WVCUGGIDRHAOEL-IBGZPJMESA-N 1 1 343.398 4.080 20 10 EICDMO CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1O ZINC000810209955 1048705174 /nfs/dbraw/zinc/70/51/74/1048705174.db2.gz XPDNPWGNEHAHCL-LZWOXQAQSA-N 1 1 342.405 4.079 20 10 EICDMO CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209955 1048705191 /nfs/dbraw/zinc/70/51/91/1048705191.db2.gz XPDNPWGNEHAHCL-LZWOXQAQSA-N 1 1 342.405 4.079 20 10 EICDMO CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209955 1048705206 /nfs/dbraw/zinc/70/52/06/1048705206.db2.gz XPDNPWGNEHAHCL-LZWOXQAQSA-N 1 1 342.405 4.079 20 10 EICDMO C[N@@H+](Cc1sc2ccccc2c1Cl)Cc1c(O)cc(O)cc1O ZINC001144514693 1048708150 /nfs/dbraw/zinc/70/81/50/1048708150.db2.gz OYICBHJYYHBWKS-UHFFFAOYSA-N 1 1 349.839 4.304 20 10 EICDMO CC(C)[N@@H+](C)C[C@@H](C)N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000810254262 1048731969 /nfs/dbraw/zinc/73/19/69/1048731969.db2.gz LDDJBIHSFHTFGB-IAGOWNOFSA-N 1 1 335.511 4.195 20 10 EICDMO CC(C)[N@H+](C)C[C@@H](C)N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000810254262 1048731982 /nfs/dbraw/zinc/73/19/82/1048731982.db2.gz LDDJBIHSFHTFGB-IAGOWNOFSA-N 1 1 335.511 4.195 20 10 EICDMO CCN(CC)c1ccc(C[NH2+][C@H](c2ccccc2F)[C@H](C)O)cc1F ZINC000846016930 1048786175 /nfs/dbraw/zinc/78/61/75/1048786175.db2.gz KMVMZJUJQBUYDP-XOBRGWDASA-N 1 1 348.437 4.023 20 10 EICDMO CC[NH+](CC)CC1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816486081 1048812180 /nfs/dbraw/zinc/81/21/80/1048812180.db2.gz NHIPAUMXLRYHCH-UHFFFAOYSA-N 1 1 326.484 4.099 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000816499170 1048820778 /nfs/dbraw/zinc/82/07/78/1048820778.db2.gz HSKHZKWUBRHIKC-UHFFFAOYSA-N 1 1 327.827 4.108 20 10 EICDMO CC(C)(CNCc1ccc(N2CCCCC2)cc1)[NH+]1CCCCC1 ZINC000920957182 1048821046 /nfs/dbraw/zinc/82/10/46/1048821046.db2.gz MWWXLLDVFKSPCF-UHFFFAOYSA-N 1 1 329.532 4.031 20 10 EICDMO Oc1c(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)ccc2ccccc21 ZINC000816502071 1048822132 /nfs/dbraw/zinc/82/21/32/1048822132.db2.gz MQRKUYZMPUUMMX-FQEVSTJZSA-N 1 1 337.394 4.258 20 10 EICDMO [O-]c1c(C[NH2+]CCCCC[NH+]2CCCCC2)ccc2ccccc21 ZINC000816547452 1048827988 /nfs/dbraw/zinc/82/79/88/1048827988.db2.gz WXKAYRGJJLRBSG-UHFFFAOYSA-N 1 1 326.484 4.291 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000816551344 1048828149 /nfs/dbraw/zinc/82/81/49/1048828149.db2.gz YCHAPSQSCSAYEV-LJQANCHMSA-N 1 1 349.833 4.442 20 10 EICDMO COc1c(C[NH2+]Cc2cc(Cl)c(F)cc2O)oc2ccccc21 ZINC000816590432 1048832739 /nfs/dbraw/zinc/83/27/39/1048832739.db2.gz ZVXBGRMQVREBAX-UHFFFAOYSA-N 1 1 335.762 4.229 20 10 EICDMO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816560696 1048835723 /nfs/dbraw/zinc/83/57/23/1048835723.db2.gz XNVAZODAQUVJLS-BTDLBPIBSA-N 1 1 341.785 4.190 20 10 EICDMO CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816560695 1048836009 /nfs/dbraw/zinc/83/60/09/1048836009.db2.gz XNVAZODAQUVJLS-BMLIUANNSA-N 1 1 341.785 4.190 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000816565306 1048836712 /nfs/dbraw/zinc/83/67/12/1048836712.db2.gz KDGAIRZRGIEORW-UHFFFAOYSA-N 1 1 334.822 4.034 20 10 EICDMO CC(C)(CO)[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC000816593652 1048841127 /nfs/dbraw/zinc/84/11/27/1048841127.db2.gz ZMJOLBAIMYNZPF-QGZVFWFLSA-N 1 1 337.822 4.034 20 10 EICDMO OC[C@@]1(c2ccccc2)CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816601370 1048841938 /nfs/dbraw/zinc/84/19/38/1048841938.db2.gz ZIHAYBPINWLOBG-HSZRJFAPSA-N 1 1 347.458 4.072 20 10 EICDMO OCC1([C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)c2ccccc2)CCC1 ZINC000816631149 1048842148 /nfs/dbraw/zinc/84/21/48/1048842148.db2.gz HQCZFFNCQUTOIE-SFHVURJKSA-N 1 1 349.833 4.178 20 10 EICDMO COCCCCc1ccc[nH+]c1NCc1cc(Cl)c(F)cc1O ZINC000816616939 1048844817 /nfs/dbraw/zinc/84/48/17/1048844817.db2.gz KAPZMGQLVNBDCJ-UHFFFAOYSA-N 1 1 338.810 4.161 20 10 EICDMO COc1cc(O)c(C[N@@H+](C(C)C)[C@H](C)c2ccsc2)cc1OC ZINC000817415938 1048967559 /nfs/dbraw/zinc/96/75/59/1048967559.db2.gz AVABPJATAZBVRT-CYBMUJFWSA-N 1 1 335.469 4.443 20 10 EICDMO C[C@H]1C[C@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c2ccsc2S1 ZINC000817942499 1049061617 /nfs/dbraw/zinc/06/16/17/1049061617.db2.gz PANPIQZZWQOHRS-VUCTXSBTSA-N 1 1 347.553 4.029 20 10 EICDMO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1cc(Cl)c(Cl)cc1O ZINC000817957076 1049065911 /nfs/dbraw/zinc/06/59/11/1049065911.db2.gz IIUARDNGJYJNBW-SNVBAGLBSA-N 1 1 325.239 4.175 20 10 EICDMO C[C@H](NC[C@@H]([NH3+])c1ccccc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817955398 1049066376 /nfs/dbraw/zinc/06/63/76/1049066376.db2.gz XPGUEBPHUVNLTB-OXJNMPFZSA-N 1 1 341.474 4.167 20 10 EICDMO C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])cc1 ZINC000817962550 1049068868 /nfs/dbraw/zinc/06/88/68/1049068868.db2.gz KAZMONNIHMHJKZ-VXGBXAGGSA-N 1 1 349.272 4.025 20 10 EICDMO C[C@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000817985015 1049079654 /nfs/dbraw/zinc/07/96/54/1049079654.db2.gz FNJJSHTVNGUJOF-HKUYNNGSSA-N 1 1 327.516 4.002 20 10 EICDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811518410 1049101309 /nfs/dbraw/zinc/10/13/09/1049101309.db2.gz JPAHZSBVCAAWGC-LEWJYISDSA-N 1 1 340.511 4.210 20 10 EICDMO CCc1cc(C[N@H+]2CC[C@@H](n3cc(C)cn3)C2)c(O)c(C(C)(C)C)c1 ZINC000811798015 1049269531 /nfs/dbraw/zinc/26/95/31/1049269531.db2.gz GGVISYBMQCEKKN-GOSISDBHSA-N 1 1 341.499 4.204 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1C(C)C ZINC000811800752 1049269627 /nfs/dbraw/zinc/26/96/27/1049269627.db2.gz BHYFBKJDMXMNPL-MRXNPFEDSA-N 1 1 333.863 4.121 20 10 EICDMO COCCCCc1ccc[nH+]c1NCc1c(O)ccc(Cl)c1F ZINC000812345938 1049446739 /nfs/dbraw/zinc/44/67/39/1049446739.db2.gz XEFIDFIYAMDSLS-UHFFFAOYSA-N 1 1 338.810 4.161 20 10 EICDMO CCOc1cccc(C[N@@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)c1O ZINC000812781253 1049576322 /nfs/dbraw/zinc/57/63/22/1049576322.db2.gz NENSQKLTOAMNGE-KGLIPLIRSA-N 1 1 331.378 4.344 20 10 EICDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000773258079 1049676300 /nfs/dbraw/zinc/67/63/00/1049676300.db2.gz GQMIZDQYLTYMLL-JKSUJKDBSA-N 1 1 347.499 4.034 20 10 EICDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000773258076 1049677316 /nfs/dbraw/zinc/67/73/16/1049677316.db2.gz GQMIZDQYLTYMLL-HZPDHXFCSA-N 1 1 347.499 4.034 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)[C@H]2CCc3cc(F)c(F)c(F)c3C2)cc1 ZINC001171545737 1049737296 /nfs/dbraw/zinc/73/72/96/1049737296.db2.gz DRZYUXFUCJIXSE-INIZCTEOSA-N 1 1 348.412 4.159 20 10 EICDMO COc1ccc(O)c([C@H](C)NC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)c1 ZINC000813331416 1049753324 /nfs/dbraw/zinc/75/33/24/1049753324.db2.gz ONUFDYVGTLVIEY-BQFCYCMXSA-N 1 1 346.515 4.095 20 10 EICDMO Cc1ccoc1C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000813882514 1049830535 /nfs/dbraw/zinc/83/05/35/1049830535.db2.gz AHKSZHJACKVEPM-VIFPVBQESA-N 1 1 328.181 4.046 20 10 EICDMO CC[C@H]([NH2+][C@H](C)[C@H]1OCCc2sccc21)c1ccc(F)cc1O ZINC000813884502 1049831829 /nfs/dbraw/zinc/83/18/29/1049831829.db2.gz IYRKWUSRRSLJGG-DJCROIMJSA-N 1 1 335.444 4.336 20 10 EICDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1)c1ccccc1O ZINC001171983388 1049839392 /nfs/dbraw/zinc/83/93/92/1049839392.db2.gz NPJNSUDQKJFVNZ-HKUYNNGSSA-N 1 1 338.495 4.486 20 10 EICDMO CC(C)COCC[C@@H](C)[NH2+]Cc1cc(Cl)c2cccnc2c1O ZINC001172462516 1049917409 /nfs/dbraw/zinc/91/74/09/1049917409.db2.gz QOWJIHORDWQYIQ-CYBMUJFWSA-N 1 1 336.863 4.135 20 10 EICDMO CC[C@@H]([NH2+]Cc1cc(C)cc(Br)c1O)[C@@H]1CC1(C)C ZINC001178978210 1050592337 /nfs/dbraw/zinc/59/23/37/1050592337.db2.gz VJACBSHRYCFYAX-GXTWGEPZSA-N 1 1 326.278 4.377 20 10 EICDMO Oc1c(Br)cccc1C[NH2+]Cc1ccc(F)cc1Cl ZINC000775143664 1050620504 /nfs/dbraw/zinc/62/05/04/1050620504.db2.gz APLPSCIDTZOODD-UHFFFAOYSA-N 1 1 344.611 4.237 20 10 EICDMO C[C@H]1CC[C@@](CO)([NH2+]Cc2c(O)ccc(Cl)c2F)c2ccccc21 ZINC001179792912 1050780733 /nfs/dbraw/zinc/78/07/33/1050780733.db2.gz CYNGILNWZJLDKD-BUXKBTBVSA-N 1 1 349.833 4.059 20 10 EICDMO Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cc(Cl)c(C)cc2O)n1 ZINC001179937840 1050823437 /nfs/dbraw/zinc/82/34/37/1050823437.db2.gz PNRDHGDWWVXOFK-INIZCTEOSA-N 1 1 345.874 4.134 20 10 EICDMO CCCc1nc(C)c(C[N@H+](Cc2ccco2)Cc2ccccc2O)o1 ZINC000794413242 1050842856 /nfs/dbraw/zinc/84/28/56/1050842856.db2.gz URKVMUQNRDEESU-UHFFFAOYSA-N 1 1 340.423 4.437 20 10 EICDMO CCCc1nc(C)c(C[N@@H+](Cc2ccco2)Cc2ccccc2O)o1 ZINC000794413242 1050842858 /nfs/dbraw/zinc/84/28/58/1050842858.db2.gz URKVMUQNRDEESU-UHFFFAOYSA-N 1 1 340.423 4.437 20 10 EICDMO CCOc1ccc(C[N@H+](Cc2cc(F)cc(F)c2O)C(C)C)cc1 ZINC001180011602 1050854807 /nfs/dbraw/zinc/85/48/07/1050854807.db2.gz PTZJSHGXAOZCNR-UHFFFAOYSA-N 1 1 335.394 4.480 20 10 EICDMO CCOc1ccc(C[N@@H+](Cc2cc(F)cc(F)c2O)C(C)C)cc1 ZINC001180011602 1050854815 /nfs/dbraw/zinc/85/48/15/1050854815.db2.gz PTZJSHGXAOZCNR-UHFFFAOYSA-N 1 1 335.394 4.480 20 10 EICDMO CCc1cccc(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1O ZINC001180030983 1050861031 /nfs/dbraw/zinc/86/10/31/1050861031.db2.gz RTOCFUXICHEURV-ROUUACIJSA-N 1 1 330.516 4.041 20 10 EICDMO CCc1cccc(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1O ZINC001180030983 1050861035 /nfs/dbraw/zinc/86/10/35/1050861035.db2.gz RTOCFUXICHEURV-ROUUACIJSA-N 1 1 330.516 4.041 20 10 EICDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCOC3(CCC3)C2)cc1 ZINC001180094115 1050866914 /nfs/dbraw/zinc/86/69/14/1050866914.db2.gz YVVSZQFHENVYJM-UHFFFAOYSA-N 1 1 342.508 4.139 20 10 EICDMO C[C@H](c1ccco1)[N@@H+](Cc1ccc(Br)cc1O)C1CC1 ZINC001180064710 1050872251 /nfs/dbraw/zinc/87/22/51/1050872251.db2.gz SKDFBUCTEZXOTR-LLVKDONJSA-N 1 1 336.229 4.473 20 10 EICDMO CN(C)c1ccc(C[N@@H+]2CC(C)(C)OCC2(C)C)c(C(F)(F)F)c1 ZINC001180121265 1050893073 /nfs/dbraw/zinc/89/30/73/1050893073.db2.gz OTPWSXWYRSFCKW-UHFFFAOYSA-N 1 1 344.421 4.161 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CC(C)(C)OCC2(C)C)c(C(F)(F)F)c1 ZINC001180121265 1050893077 /nfs/dbraw/zinc/89/30/77/1050893077.db2.gz OTPWSXWYRSFCKW-UHFFFAOYSA-N 1 1 344.421 4.161 20 10 EICDMO C[N@H+](Cc1nc2cc(F)ccc2o1)Cc1ccc(N2CCCC2)cc1 ZINC001181556603 1051250186 /nfs/dbraw/zinc/25/01/86/1051250186.db2.gz ZXRCMCAWYWGUAX-UHFFFAOYSA-N 1 1 339.414 4.199 20 10 EICDMO C[N@@H+](Cc1nc2cc(F)ccc2o1)Cc1ccc(N2CCCC2)cc1 ZINC001181556603 1051250199 /nfs/dbraw/zinc/25/01/99/1051250199.db2.gz ZXRCMCAWYWGUAX-UHFFFAOYSA-N 1 1 339.414 4.199 20 10 EICDMO CCc1cccc(C[N@H+]2CCc3cc(OC)c(Cl)cc3C2)c1O ZINC001182087493 1051383760 /nfs/dbraw/zinc/38/37/60/1051383760.db2.gz QNHVAXXXGUQNGS-UHFFFAOYSA-N 1 1 331.843 4.175 20 10 EICDMO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001182136747 1051402644 /nfs/dbraw/zinc/40/26/44/1051402644.db2.gz BVOVQYRSHITZHK-UHFFFAOYSA-N 1 1 329.827 4.102 20 10 EICDMO C[C@H]([NH2+]Cc1cn2ccccc2n1)c1cc(Cl)c(Cl)cc1O ZINC000774108771 1051456979 /nfs/dbraw/zinc/45/69/79/1051456979.db2.gz AEAURHIXNWYIIV-JTQLQIEISA-N 1 1 336.222 4.198 20 10 EICDMO CCn1nc(C)c(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)c1C ZINC000774169007 1051491291 /nfs/dbraw/zinc/49/12/91/1051491291.db2.gz MCDIGBGPHAVZIC-SECBINFHSA-N 1 1 342.270 4.383 20 10 EICDMO C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1cc(Cl)c(Cl)cc1O ZINC000774220328 1051515508 /nfs/dbraw/zinc/51/55/08/1051515508.db2.gz WGJMXVCCUBECBO-RKDXNWHRSA-N 1 1 338.325 4.198 20 10 EICDMO C[C@H]([NH2+]C[C@H]1CSCCS1)c1cc(Cl)c(Cl)cc1O ZINC000774220327 1051515780 /nfs/dbraw/zinc/51/57/80/1051515780.db2.gz WGJMXVCCUBECBO-IUCAKERBSA-N 1 1 338.325 4.198 20 10 EICDMO CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)CC1 ZINC000774270414 1051538278 /nfs/dbraw/zinc/53/82/78/1051538278.db2.gz DYQINDYNKVMLMI-ZUZCIYMTSA-N 1 1 332.271 4.147 20 10 EICDMO CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000775490226 1051573466 /nfs/dbraw/zinc/57/34/66/1051573466.db2.gz AIRBYUJCEYQYKC-WFASDCNBSA-N 1 1 345.314 4.472 20 10 EICDMO C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)[C@@H](C)[C@H]1C ZINC001182452507 1051578810 /nfs/dbraw/zinc/57/88/10/1051578810.db2.gz OFYYEMKTNZJHGQ-IKGGRYGDSA-N 1 1 325.452 4.448 20 10 EICDMO Oc1ccccc1C[N@@H+](CCCc1cccc(F)c1)C[C@H]1CCCO1 ZINC001192011431 1051612670 /nfs/dbraw/zinc/61/26/70/1051612670.db2.gz CASXMLPIFCJBSE-HXUWFJFHSA-N 1 1 343.442 4.145 20 10 EICDMO C[C@]1(Cc2ccccc2F)CCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001182544539 1051636649 /nfs/dbraw/zinc/63/66/49/1051636649.db2.gz QHSTVTPGTUGVOK-LJQANCHMSA-N 1 1 335.369 4.407 20 10 EICDMO C[C@]1(Cc2ccccc2F)CCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001182544539 1051636657 /nfs/dbraw/zinc/63/66/57/1051636657.db2.gz QHSTVTPGTUGVOK-LJQANCHMSA-N 1 1 335.369 4.407 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC001192444687 1051733828 /nfs/dbraw/zinc/73/38/28/1051733828.db2.gz YJBXLMGOPUQMRG-KRWDZBQOSA-N 1 1 330.859 4.059 20 10 EICDMO C[C@@H](C[NH2+]Cc1c(O)cccc1F)c1ccc(C(F)(F)F)cc1 ZINC001183920057 1051927985 /nfs/dbraw/zinc/92/79/85/1051927985.db2.gz UGNWSAQLEKPJJJ-NSHDSACASA-N 1 1 327.321 4.443 20 10 EICDMO CCCC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001203586112 1051993424 /nfs/dbraw/zinc/99/34/24/1051993424.db2.gz KXOBNDRNOYZJKA-UHFFFAOYSA-N 1 1 345.314 4.395 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCc3cc(C(C)C)ccc3C2)cc1OC ZINC001184418367 1052009156 /nfs/dbraw/zinc/00/91/56/1052009156.db2.gz NDJDGXZIJPHRTC-UHFFFAOYSA-N 1 1 341.451 4.091 20 10 EICDMO COc1c(O)c(C[N@H+](C)[C@@H](C)c2cc(C)ccc2C)ccc1[N+](=O)[O-] ZINC000774834638 1052174513 /nfs/dbraw/zinc/17/45/13/1052174513.db2.gz GPYIYNXZSRTGRY-AWEZNQCLSA-N 1 1 344.411 4.119 20 10 EICDMO COc1c(O)c(C[N@@H+](C)[C@@H](C)c2cc(C)ccc2C)ccc1[N+](=O)[O-] ZINC000774834638 1052174523 /nfs/dbraw/zinc/17/45/23/1052174523.db2.gz GPYIYNXZSRTGRY-AWEZNQCLSA-N 1 1 344.411 4.119 20 10 EICDMO C[C@@H]([NH2+]CCCCCC(=O)OC(C)(C)C)c1ccc(F)cc1O ZINC000185597340 1052654988 /nfs/dbraw/zinc/65/49/88/1052654988.db2.gz XRVALZLYCFLOMO-CYBMUJFWSA-N 1 1 325.424 4.084 20 10 EICDMO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1cscn1 ZINC000850360111 1053132011 /nfs/dbraw/zinc/13/20/11/1053132011.db2.gz ZVNSPOYVFCNUPM-JTQLQIEISA-N 1 1 329.391 4.079 20 10 EICDMO CC(C)[N@@H+](C)CCCN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000764805584 1053317696 /nfs/dbraw/zinc/31/76/96/1053317696.db2.gz GHVCYWGTNSGTHA-QGZVFWFLSA-N 1 1 335.511 4.197 20 10 EICDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]2c2ccccn2)c1O ZINC000775650404 1053368234 /nfs/dbraw/zinc/36/82/34/1053368234.db2.gz BSWADOBMNDWACB-MRXNPFEDSA-N 1 1 347.256 4.195 20 10 EICDMO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1 ZINC000765278260 1053487392 /nfs/dbraw/zinc/48/73/92/1053487392.db2.gz CGGYOMFSZQWPFS-LJQANCHMSA-N 1 1 326.488 4.203 20 10 EICDMO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(F)c(CN(C)C)c2)cc1 ZINC000120855939 1053629945 /nfs/dbraw/zinc/62/99/45/1053629945.db2.gz PCIQWSARXZDSIU-INIZCTEOSA-N 1 1 343.490 4.194 20 10 EICDMO COc1ccc(O)c(C[N@H+]2CCS[C@@H](C)[C@H]2c2ccccc2)c1 ZINC000775710462 1053642323 /nfs/dbraw/zinc/64/23/23/1053642323.db2.gz KVLHUHDQWZXUDL-LIRRHRJNSA-N 1 1 329.465 4.079 20 10 EICDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC001196394243 1053657049 /nfs/dbraw/zinc/65/70/49/1053657049.db2.gz WBAKHEWCECSFIY-KRWDZBQOSA-N 1 1 330.422 4.410 20 10 EICDMO CCOc1cccc(C[N@@H+](C)Cc2ccccc2N2CCCC2)c1O ZINC000121233499 1053824680 /nfs/dbraw/zinc/82/46/80/1053824680.db2.gz XUQSHCNDMZFQJD-UHFFFAOYSA-N 1 1 340.467 4.023 20 10 EICDMO CC[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(F)cc1O ZINC000796724035 1053841184 /nfs/dbraw/zinc/84/11/84/1053841184.db2.gz HWBAUIJEGQTWBI-YSIASYRMSA-N 1 1 329.415 4.492 20 10 EICDMO C[C@H]([NH2+]Cc1cc(-c2cccs2)on1)c1ccc(N(C)C)cc1 ZINC000775837407 1054118309 /nfs/dbraw/zinc/11/83/09/1054118309.db2.gz SGXCHNGGWFLWPF-ZDUSSCGKSA-N 1 1 327.453 4.320 20 10 EICDMO COc1ccc(F)c(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)c1 ZINC000857080264 1054174212 /nfs/dbraw/zinc/17/42/12/1054174212.db2.gz FHLQQUUVEXXSCM-JTQLQIEISA-N 1 1 343.320 4.410 20 10 EICDMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1ccc(C(F)(F)F)nc1 ZINC000872129462 1054403486 /nfs/dbraw/zinc/40/34/86/1054403486.db2.gz CBWQCKDPPBCPKP-NXEZZACHSA-N 1 1 328.309 4.357 20 10 EICDMO C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)c2ccccc2O1 ZINC000858170159 1054431786 /nfs/dbraw/zinc/43/17/86/1054431786.db2.gz CUHZCMCOEKSUOG-SJKOYZFVSA-N 1 1 332.394 4.033 20 10 EICDMO CCC[N@@H+](Cc1cc(OC)ccc1O)[C@@H]1CCCc2cccnc21 ZINC000775995224 1054434703 /nfs/dbraw/zinc/43/47/03/1054434703.db2.gz QEOUIYZYIXRPKZ-GOSISDBHSA-N 1 1 326.440 4.085 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C(F)(F)F)[C@H]2C)c1O ZINC000776013722 1054447457 /nfs/dbraw/zinc/44/74/57/1054447457.db2.gz NWWJCVBDHIDETN-SKDRFNHKSA-N 1 1 337.769 4.217 20 10 EICDMO CCN(CC)c1ccc(C[NH2+]Cc2nc(C)c3ccccc3n2)cc1 ZINC001199990506 1054513904 /nfs/dbraw/zinc/51/39/04/1054513904.db2.gz LJGQXDUCZJBAAG-UHFFFAOYSA-N 1 1 334.467 4.074 20 10 EICDMO CC(C)Nc1ccc(Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001201498451 1054820761 /nfs/dbraw/zinc/82/07/61/1054820761.db2.gz ZYQHWWIEVMYZOV-UHFFFAOYSA-N 1 1 325.456 4.083 20 10 EICDMO CC1CCN(c2ccc(C[NH2+]Cc3nc(Cl)cs3)cc2)CC1 ZINC000877025141 1055003629 /nfs/dbraw/zinc/00/36/29/1055003629.db2.gz XWAYWIIGUQPMBS-UHFFFAOYSA-N 1 1 335.904 4.323 20 10 EICDMO C[N@@H+](Cc1ccccc1O)Cc1cccc(F)c1OCC(F)(F)F ZINC000862228041 1055031700 /nfs/dbraw/zinc/03/17/00/1055031700.db2.gz LESMSPHHEYWZBX-UHFFFAOYSA-N 1 1 343.320 4.104 20 10 EICDMO Cc1cccc(O)c1C[N@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000877336612 1055044341 /nfs/dbraw/zinc/04/43/41/1055044341.db2.gz LCBOETKVNHNHCW-YLJYHZDGSA-N 1 1 329.415 4.192 20 10 EICDMO Cc1cc(C[N@@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)ccn1 ZINC000862366049 1055056694 /nfs/dbraw/zinc/05/66/94/1055056694.db2.gz BODKAOXUSZBJCW-UHFFFAOYSA-N 1 1 335.451 4.251 20 10 EICDMO Cc1cc(C[N@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)ccn1 ZINC000862366049 1055056712 /nfs/dbraw/zinc/05/67/12/1055056712.db2.gz BODKAOXUSZBJCW-UHFFFAOYSA-N 1 1 335.451 4.251 20 10 EICDMO Oc1ccccc1C[N@H+]1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001203555812 1055099027 /nfs/dbraw/zinc/09/90/27/1055099027.db2.gz GRNKNRGZNAPWEA-RBBKRZOGSA-N 1 1 337.463 4.004 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc3c(c2)COC(C)(C)O3)cc1 ZINC000186248270 1055278532 /nfs/dbraw/zinc/27/85/32/1055278532.db2.gz SQWWJAYHRSJWBL-UHFFFAOYSA-N 1 1 340.467 4.030 20 10 EICDMO CCCN(CCC)c1ccc(CNC2CC[NH+](C(C)C)CC2)cc1 ZINC000743644717 1059067346 /nfs/dbraw/zinc/06/73/46/1059067346.db2.gz QGKIHGSVHMJEHA-UHFFFAOYSA-N 1 1 331.548 4.275 20 10 EICDMO CCCN(CCC)c1ccc(C[NH2+]C2CCN(C(C)C)CC2)cc1 ZINC000743644717 1059067369 /nfs/dbraw/zinc/06/73/69/1059067369.db2.gz QGKIHGSVHMJEHA-UHFFFAOYSA-N 1 1 331.548 4.275 20 10 EICDMO CC(C)[N@@H+](CCc1ccc2c(c1)CCO2)Cc1ccc(N(C)C)cc1 ZINC000743841450 1059136931 /nfs/dbraw/zinc/13/69/31/1059136931.db2.gz MMXZFYICZGQDIT-UHFFFAOYSA-N 1 1 338.495 4.141 20 10 EICDMO CC[C@H]([NH2+]CC[C@H](C)N(C)Cc1ccccc1)c1ccccc1O ZINC000379624594 1059616294 /nfs/dbraw/zinc/61/62/94/1059616294.db2.gz DLQDSYZXABMXJC-PXNSSMCTSA-N 1 1 326.484 4.344 20 10 EICDMO Cc1cc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)ccc1N(C)C ZINC001169506696 1060838516 /nfs/dbraw/zinc/83/85/16/1060838516.db2.gz CJTQSEADEJWJSI-JOCHJYFZSA-N 1 1 336.479 4.083 20 10 EICDMO COc1ccc(C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)cc1C ZINC000274610023 1018832731 /nfs/dbraw/zinc/83/27/31/1018832731.db2.gz NGUVBLURHUNVQN-SNVBAGLBSA-N 1 1 330.375 4.330 20 10 EICDMO CC[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ccc(F)cc1O ZINC000796709203 1019770080 /nfs/dbraw/zinc/77/00/80/1019770080.db2.gz LBGAPDXEECPXEG-OAHLLOKOSA-N 1 1 327.403 4.081 20 10 EICDMO CC(C)Oc1ccnc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC001167107453 1020185348 /nfs/dbraw/zinc/18/53/48/1020185348.db2.gz DNJOZTWAMFVMJG-UHFFFAOYSA-N 1 1 339.483 4.099 20 10 EICDMO COc1cccc(CCC[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC001167108062 1020185393 /nfs/dbraw/zinc/18/53/93/1020185393.db2.gz MALHFVFTCVGNBT-UHFFFAOYSA-N 1 1 338.495 4.358 20 10 EICDMO COc1ccc(O)c(C[N@H+]2CC[C@H](CSc3ccccc3)C2)c1 ZINC000180529884 1022507600 /nfs/dbraw/zinc/50/76/00/1022507600.db2.gz WVUKEHHVYLLTAZ-HNNXBMFYSA-N 1 1 329.465 4.015 20 10 EICDMO CC[C@@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccc(F)cc1O ZINC000367602288 1022767554 /nfs/dbraw/zinc/76/75/54/1022767554.db2.gz SMNOMBARGZUNAD-MRXNPFEDSA-N 1 1 334.460 4.303 20 10 EICDMO CC[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1OC)c1ccc(F)cc1O ZINC000796674540 1022869259 /nfs/dbraw/zinc/86/92/59/1022869259.db2.gz HFGGIVHLQORLEY-SJKOYZFVSA-N 1 1 333.403 4.350 20 10 EICDMO C[C@@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cc(F)ccc1O ZINC000184919902 1022971278 /nfs/dbraw/zinc/97/12/78/1022971278.db2.gz JPUXBIQFNPVLSP-BEFAXECRSA-N 1 1 328.431 4.019 20 10 EICDMO C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000311208056 1023001368 /nfs/dbraw/zinc/00/13/68/1023001368.db2.gz NSJWNWNQGQRNPL-FUHWJXTLSA-N 1 1 342.458 4.094 20 10 EICDMO C[C@H]([NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000311222994 1023007917 /nfs/dbraw/zinc/00/79/17/1023007917.db2.gz VSSLZPKTRBHDSV-WMZOPIPTSA-N 1 1 342.458 4.094 20 10 EICDMO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1O ZINC000183506896 1023373114 /nfs/dbraw/zinc/37/31/14/1023373114.db2.gz GDFBMCBPDSSEFP-VOBGVNJCSA-N 1 1 336.479 4.238 20 10 EICDMO C[C@@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1cc(Cl)c(Cl)cc1O ZINC000377118403 1023376834 /nfs/dbraw/zinc/37/68/34/1023376834.db2.gz DCDBXJKGSIKJNU-OTYXRUKQSA-N 1 1 340.254 4.161 20 10 EICDMO CC(C)(C)[NH+]1CCC(NCc2ccc(N3CCCCC3)cc2)CC1 ZINC000236645631 1023396365 /nfs/dbraw/zinc/39/63/65/1023396365.db2.gz CXOQADQDSKPSHV-UHFFFAOYSA-N 1 1 329.532 4.029 20 10 EICDMO CC[C@@H](c1ccccc1O)[N@@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000377614814 1023633946 /nfs/dbraw/zinc/63/39/46/1023633946.db2.gz JUPFFAYMOVGUDX-RBUKOAKNSA-N 1 1 349.434 4.334 20 10 EICDMO CC[C@@H](c1ccccc1O)[N@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000377614814 1023633947 /nfs/dbraw/zinc/63/39/47/1023633947.db2.gz JUPFFAYMOVGUDX-RBUKOAKNSA-N 1 1 349.434 4.334 20 10 EICDMO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1cc(Cl)c(Cl)cc1O ZINC000192725093 1023641494 /nfs/dbraw/zinc/64/14/94/1023641494.db2.gz SYGWXXIJHGJHPD-YMUUXVPOSA-N 1 1 338.234 4.008 20 10 EICDMO CC[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)cc1)c1ccc(F)cc1O ZINC000367753947 1024805142 /nfs/dbraw/zinc/80/51/42/1024805142.db2.gz LUYSHKWFAVXUHI-QGZVFWFLSA-N 1 1 325.387 4.162 20 10 EICDMO COc1cc(C)cc(C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)c1O ZINC000894589333 1026229594 /nfs/dbraw/zinc/22/95/94/1026229594.db2.gz NRUJAPZKLCVKGQ-VIFPVBQESA-N 1 1 346.374 4.035 20 10 EICDMO COc1ccc(C[N@H+]2CC3(CCC3)[C@H]2c2ccccc2)c(O)c1OC ZINC000894611723 1026256487 /nfs/dbraw/zinc/25/64/87/1026256487.db2.gz YXKUUUDERDMRSL-HXUWFJFHSA-N 1 1 339.435 4.137 20 10 EICDMO C[C@H]([NH2+]Cc1cccc(Br)c1O)c1ccc(F)cc1F ZINC000048795946 1026419262 /nfs/dbraw/zinc/41/92/62/1026419262.db2.gz MDANUXLZSBHNJQ-VIFPVBQESA-N 1 1 342.183 4.284 20 10 EICDMO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001167594739 1026910773 /nfs/dbraw/zinc/91/07/73/1026910773.db2.gz QUIJJSOUFPUOJH-OAQYLSRUSA-N 1 1 348.494 4.459 20 10 EICDMO C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1cc(Cl)c(Cl)cc1O ZINC000278730741 1029741709 /nfs/dbraw/zinc/74/17/09/1029741709.db2.gz MQKIYLMPJAFMRH-BONVTDFDSA-N 1 1 326.223 4.083 20 10 EICDMO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](c2nccs2)c2ccccc2)c1 ZINC000185235121 1030135296 /nfs/dbraw/zinc/13/52/96/1030135296.db2.gz JHZWVLYGQQUHCL-FZKQIMNGSA-N 1 1 340.448 4.298 20 10 EICDMO C[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1ccc(F)cc1O ZINC000185857725 1030234983 /nfs/dbraw/zinc/23/49/83/1030234983.db2.gz ZPNVYPZPTZLFPA-GFCCVEGCSA-N 1 1 344.361 4.219 20 10 EICDMO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+](C)Cc1ccccc1O ZINC000109772436 1031306105 /nfs/dbraw/zinc/30/61/05/1031306105.db2.gz ZTJDRHSFLYZXNK-GFCCVEGCSA-N 1 1 343.814 4.289 20 10 EICDMO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+](C)Cc1ccccc1O ZINC000109772436 1031306124 /nfs/dbraw/zinc/30/61/24/1031306124.db2.gz ZTJDRHSFLYZXNK-GFCCVEGCSA-N 1 1 343.814 4.289 20 10 EICDMO Cc1ccc([C@@H]([NH2+]Cc2ccc(N(C)C)cc2)c2ccccn2)cc1 ZINC000375921208 1031516660 /nfs/dbraw/zinc/51/66/60/1031516660.db2.gz QMIQMYSVQNXINU-JOCHJYFZSA-N 1 1 331.463 4.335 20 10 EICDMO CCOc1cccc(C[N@@H+](C)[C@H](c2ccccc2)c2ccccn2)c1O ZINC000130940045 1031855838 /nfs/dbraw/zinc/85/58/38/1031855838.db2.gz DKIHDNSCQODESC-OAQYLSRUSA-N 1 1 348.446 4.407 20 10 EICDMO C[S@@](=O)c1ccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)cc1 ZINC000093319355 1031861835 /nfs/dbraw/zinc/86/18/35/1031861835.db2.gz FIBUAKGCFPTDFP-DEOSSOPVSA-N 1 1 343.492 4.074 20 10 EICDMO COc1cc(C)cc(CNc2ccc([NH+]3CCCC3)cc2C)c1O ZINC000894097494 1033360715 /nfs/dbraw/zinc/36/07/15/1033360715.db2.gz MSZTVDLXXSZMQR-UHFFFAOYSA-N 1 1 326.440 4.230 20 10 EICDMO COc1cc(Cl)cc(C[N@@H+]2C[C@H](c3ccccc3)OC[C@H]2C)c1O ZINC000761193446 1036006203 /nfs/dbraw/zinc/00/62/03/1036006203.db2.gz DOOVHAATNDVFBP-FZKQIMNGSA-N 1 1 347.842 4.016 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2C[C@H](c3ccccc3)OC[C@H]2C)c1O ZINC000761193446 1036006224 /nfs/dbraw/zinc/00/62/24/1036006224.db2.gz DOOVHAATNDVFBP-FZKQIMNGSA-N 1 1 347.842 4.016 20 10 EICDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2cc(C(C)(C)C)cc(O)c2O)n1 ZINC000164874238 1036425672 /nfs/dbraw/zinc/42/56/72/1036425672.db2.gz MJGPESYAAKJZOS-GOSISDBHSA-N 1 1 340.467 4.436 20 10 EICDMO Cc1sc(C[N@H+](C)Cc2ccccc2O)cc1Br ZINC001232295955 1036941454 /nfs/dbraw/zinc/94/14/54/1036941454.db2.gz PUQLVWOMKXTVLH-UHFFFAOYSA-N 1 1 326.259 4.157 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)cc1C ZINC000172970379 1038032479 /nfs/dbraw/zinc/03/24/79/1038032479.db2.gz OUBHQVOCRSJMID-LJQANCHMSA-N 1 1 325.452 4.048 20 10 EICDMO CC(C)[N@@H+](CCc1nccs1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000151552650 1041709248 /nfs/dbraw/zinc/70/92/48/1041709248.db2.gz KTRLUSJIZKYURQ-UHFFFAOYSA-N 1 1 348.512 4.305 20 10 EICDMO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000152450837 1042827829 /nfs/dbraw/zinc/82/78/29/1042827829.db2.gz SHKOLCABGPLIMF-OALUTQOASA-N 1 1 341.543 4.202 20 10 EICDMO CC(C)COC[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1ccco1 ZINC000152579431 1042904515 /nfs/dbraw/zinc/90/45/15/1042904515.db2.gz ZOLAFSLHXSXZMZ-VQIMIIECSA-N 1 1 330.472 4.410 20 10 EICDMO CCC[N@H+](Cc1c(O)ccc2ccc(OC)cc21)C[C@@H]1CCCCO1 ZINC000730255942 1043486691 /nfs/dbraw/zinc/48/66/91/1043486691.db2.gz NXMCPNOMCWSMRK-SFHVURJKSA-N 1 1 343.467 4.335 20 10 EICDMO CC1CCN(c2ccc(C[NH2+]Cc3ccc4nc[nH]c4c3)cc2)CC1 ZINC000731041553 1043682509 /nfs/dbraw/zinc/68/25/09/1043682509.db2.gz GRGBQASJBHQSRY-UHFFFAOYSA-N 1 1 334.467 4.089 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1nnc(-c2ccccc2)o1)C1CCCC1 ZINC000731845492 1043833750 /nfs/dbraw/zinc/83/37/50/1043833750.db2.gz AZNHUQJRUZMJKL-UHFFFAOYSA-N 1 1 349.434 4.387 20 10 EICDMO C[N@@H+](CCOc1c(Cl)cccc1Cl)Cc1ccccc1O ZINC000731843791 1043834225 /nfs/dbraw/zinc/83/42/25/1043834225.db2.gz WPYNALIKDZTAGH-UHFFFAOYSA-N 1 1 326.223 4.210 20 10 EICDMO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+](C)Cc1ccccc1O ZINC000731842831 1043835541 /nfs/dbraw/zinc/83/55/41/1043835541.db2.gz IOGHSLNPRADREP-HNNXBMFYSA-N 1 1 340.467 4.149 20 10 EICDMO COC(=O)c1sc2ccccc2c1C[N@@H+](C)Cc1ccccc1O ZINC000731842790 1043836498 /nfs/dbraw/zinc/83/64/98/1043836498.db2.gz DJZVXDPTRYXWSL-UHFFFAOYSA-N 1 1 341.432 4.026 20 10 EICDMO CN(C)C[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC000738228242 1045044211 /nfs/dbraw/zinc/04/42/11/1045044211.db2.gz USJIRVWIGVBVEK-INIZCTEOSA-N 1 1 346.559 4.371 20 10 EICDMO CN(C)C[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC000738228242 1045044223 /nfs/dbraw/zinc/04/42/23/1045044223.db2.gz USJIRVWIGVBVEK-INIZCTEOSA-N 1 1 346.559 4.371 20 10 EICDMO C[NH+](C)C[C@@H]1CCN(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC000738228242 1045044239 /nfs/dbraw/zinc/04/42/39/1045044239.db2.gz USJIRVWIGVBVEK-INIZCTEOSA-N 1 1 346.559 4.371 20 10 EICDMO CCC[N@@H+](CCc1cccs1)Cc1c(O)ccc2ccncc21 ZINC000766028148 1045254406 /nfs/dbraw/zinc/25/44/06/1045254406.db2.gz RLGWQKMXVLGMRC-UHFFFAOYSA-N 1 1 326.465 4.457 20 10 EICDMO CCCN(CCC)c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000915682841 1045448088 /nfs/dbraw/zinc/44/80/88/1045448088.db2.gz SAVUBUVMSYZVMF-PZJWPPBQSA-N 1 1 329.532 4.029 20 10 EICDMO CCCN(CCC)c1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000915682841 1045448089 /nfs/dbraw/zinc/44/80/89/1045448089.db2.gz SAVUBUVMSYZVMF-PZJWPPBQSA-N 1 1 329.532 4.029 20 10 EICDMO Cc1nccn1CCCC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000767396203 1045525939 /nfs/dbraw/zinc/52/59/39/1045525939.db2.gz BASWVFWZGGZFRJ-UHFFFAOYSA-N 1 1 327.472 4.122 20 10 EICDMO C[N@@H+](CCCn1ccnc1)Cc1cc2oc3ccccc3c2cc1O ZINC000767753660 1045632010 /nfs/dbraw/zinc/63/20/10/1045632010.db2.gz DNECJTGQKMOUNB-UHFFFAOYSA-N 1 1 335.407 4.010 20 10 EICDMO OCC[N@@H+](Cc1ccccc1)Cc1cc(-c2ccccc2)ccc1O ZINC000768142744 1045718475 /nfs/dbraw/zinc/71/84/75/1045718475.db2.gz NSGOQNKPNISZCX-UHFFFAOYSA-N 1 1 333.431 4.054 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1cncc2ccccc21)C[C@@H]1CCCO1 ZINC000768162512 1045732125 /nfs/dbraw/zinc/73/21/25/1045732125.db2.gz NIKMVCWLYIPRCN-FQEVSTJZSA-N 1 1 348.446 4.122 20 10 EICDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(C)ccc2O)c(OC)c1 ZINC000768210651 1045743042 /nfs/dbraw/zinc/74/30/42/1045743042.db2.gz UWOCTUWZUDRPSG-GOSISDBHSA-N 1 1 327.424 4.055 20 10 EICDMO COCC[N@@H+](Cc1cccs1)Cc1ccc(N2CCCCC2)cc1 ZINC000768197036 1045752676 /nfs/dbraw/zinc/75/26/76/1045752676.db2.gz HRWFXKYMAHKWPS-UHFFFAOYSA-N 1 1 344.524 4.387 20 10 EICDMO C[N@@H+](Cc1cc(Cl)ccc1O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000768215437 1045753654 /nfs/dbraw/zinc/75/36/54/1045753654.db2.gz UHQRBPUUJOBRCQ-UHFFFAOYSA-N 1 1 341.194 4.239 20 10 EICDMO C[N@H+](Cc1cc(Cl)ccc1O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000768215437 1045753639 /nfs/dbraw/zinc/75/36/39/1045753639.db2.gz UHQRBPUUJOBRCQ-UHFFFAOYSA-N 1 1 341.194 4.239 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cnn(C(C)(C)C)c2)cc1 ZINC000768212612 1045754429 /nfs/dbraw/zinc/75/44/29/1045754429.db2.gz NEHKFHMTLDMJQR-UHFFFAOYSA-N 1 1 328.504 4.116 20 10 EICDMO COc1ccc([C@H]2CCC[N@H+]2Cc2c(O)cccc2Cl)cc1OC ZINC000768227756 1045756703 /nfs/dbraw/zinc/75/67/03/1045756703.db2.gz HXACNCDYSCTNJZ-MRXNPFEDSA-N 1 1 347.842 4.400 20 10 EICDMO Oc1ccc(Cl)cc1C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000768235034 1045760687 /nfs/dbraw/zinc/76/06/87/1045760687.db2.gz VZEMUWGZGMCUGU-UHFFFAOYSA-N 1 1 339.826 4.211 20 10 EICDMO CCOc1ccc(C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)c(O)c1 ZINC000768423591 1045806444 /nfs/dbraw/zinc/80/64/44/1045806444.db2.gz KIBPZIQWKZLOBW-QFIPXVFZSA-N 1 1 348.446 4.198 20 10 EICDMO CCOc1ccc(C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)c(O)c1 ZINC000768423591 1045806440 /nfs/dbraw/zinc/80/64/40/1045806440.db2.gz KIBPZIQWKZLOBW-QFIPXVFZSA-N 1 1 348.446 4.198 20 10 EICDMO CC[C@@H]([NH2+][C@@H]1CCCc2cn(C(C)C)nc21)c1ccc(F)cc1O ZINC000796939727 1045806829 /nfs/dbraw/zinc/80/68/29/1045806829.db2.gz GCTHQRZWBJXJED-IAGOWNOFSA-N 1 1 331.435 4.427 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCCC[C@@H]2Cc2ccccc2)cc1OC ZINC000768445178 1045807719 /nfs/dbraw/zinc/80/77/19/1045807719.db2.gz QMDJNGBBOFINFY-GOSISDBHSA-N 1 1 341.451 4.007 20 10 EICDMO CCC[N@@H+](Cc1cccc(OC)c1O)[C@@H](C)c1ccccc1OC ZINC000768478220 1045809076 /nfs/dbraw/zinc/80/90/76/1045809076.db2.gz JAELGTBNHOUXGI-HNNXBMFYSA-N 1 1 329.440 4.383 20 10 EICDMO COc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@@H]2c2cccc(F)c2)cc1OC ZINC000768464958 1045810876 /nfs/dbraw/zinc/81/08/76/1045810876.db2.gz CXQKZMFBWCWAPX-ZUOKHONESA-N 1 1 345.414 4.132 20 10 EICDMO COc1cc(O)c(C[N@H+]2C[C@@H](C)C[C@H]2c2ccccc2F)cc1OC ZINC000768464833 1045810977 /nfs/dbraw/zinc/81/09/77/1045810977.db2.gz BCLSYIHIOJFAIW-GUYCJALGSA-N 1 1 345.414 4.132 20 10 EICDMO COCc1ccc([C@@H]2CCC[N@H+]2Cc2cc(Cl)cc(C)c2O)o1 ZINC000768541725 1045818576 /nfs/dbraw/zinc/81/85/76/1045818576.db2.gz QSZLYYRBUKLIAV-INIZCTEOSA-N 1 1 335.831 4.431 20 10 EICDMO CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H](C)c1ccc(F)cc1 ZINC000768910295 1045858850 /nfs/dbraw/zinc/85/88/50/1045858850.db2.gz DTVQGQBRPHZOAH-KRWDZBQOSA-N 1 1 342.458 4.245 20 10 EICDMO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)c1 ZINC000768989676 1045866960 /nfs/dbraw/zinc/86/69/60/1045866960.db2.gz AOCZGMUAXVUIIG-LJQANCHMSA-N 1 1 335.451 4.315 20 10 EICDMO COc1ccc(N2CCC[N@@H+](Cc3ccsc3Cl)CC2)cc1 ZINC000792167524 1045873352 /nfs/dbraw/zinc/87/33/52/1045873352.db2.gz VVDLAMPZWCZABX-UHFFFAOYSA-N 1 1 336.888 4.122 20 10 EICDMO COc1ccc(N2CCC[N@@H+](Cc3cscc3Cl)CC2)cc1 ZINC000768998467 1045873823 /nfs/dbraw/zinc/87/38/23/1045873823.db2.gz NHOBFSXTSNFRPI-UHFFFAOYSA-N 1 1 336.888 4.122 20 10 EICDMO COc1ccc(C[N@@H+](C)Cc2cc(-c3ccccc3)ccc2O)cc1O ZINC000769016837 1045877249 /nfs/dbraw/zinc/87/72/49/1045877249.db2.gz JZOSVXKARFLUFV-UHFFFAOYSA-N 1 1 349.430 4.405 20 10 EICDMO COCCCC[N@@H+](Cc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000769109634 1045880264 /nfs/dbraw/zinc/88/02/64/1045880264.db2.gz SHZBFOPYIMUICD-UHFFFAOYSA-N 1 1 326.484 4.181 20 10 EICDMO COCCCC[N@@H+](Cc1ccccc1)Cc1c(O)cccc1Cl ZINC000769106973 1045880866 /nfs/dbraw/zinc/88/08/66/1045880866.db2.gz HYAUBRIMGGDAJL-UHFFFAOYSA-N 1 1 333.859 4.474 20 10 EICDMO CCC[N@@H+](Cc1ccc(OC)c(OCC)c1)Cc1ccccc1O ZINC000769200670 1045892670 /nfs/dbraw/zinc/89/26/70/1045892670.db2.gz IEZBWIYWRGFIET-UHFFFAOYSA-N 1 1 329.440 4.212 20 10 EICDMO COc1cccc(O)c1C[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000769209446 1045894265 /nfs/dbraw/zinc/89/42/65/1045894265.db2.gz BZUXYQURAIZWID-LAUBAEHRSA-N 1 1 341.451 4.001 20 10 EICDMO CC[N@H+](Cc1ccoc1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769297482 1045912100 /nfs/dbraw/zinc/91/21/00/1045912100.db2.gz ALTGULDPAJDPCL-UHFFFAOYSA-N 1 1 343.427 4.200 20 10 EICDMO CC[N@@H+](Cc1ccoc1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769297482 1045912106 /nfs/dbraw/zinc/91/21/06/1045912106.db2.gz ALTGULDPAJDPCL-UHFFFAOYSA-N 1 1 343.427 4.200 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2ccco2)Cc2ccc(O)cc2)cc1 ZINC000769318378 1045919698 /nfs/dbraw/zinc/91/96/98/1045919698.db2.gz XLGAXIFFUVHAOX-UHFFFAOYSA-N 1 1 336.435 4.254 20 10 EICDMO Cc1ccc(O)c(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000769385355 1045944179 /nfs/dbraw/zinc/94/41/79/1045944179.db2.gz WFWKOCNGTBNNQZ-GHTZIAJQSA-N 1 1 338.495 4.186 20 10 EICDMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c(O)c1 ZINC000769428256 1045962213 /nfs/dbraw/zinc/96/22/13/1045962213.db2.gz OMHUWXURANYLPF-SFHVURJKSA-N 1 1 333.378 4.406 20 10 EICDMO CCN1CC[C@H]([N@H+](C)Cc2cc(-c3ccccc3)ccc2O)[C@H](C)C1 ZINC000769482765 1045971365 /nfs/dbraw/zinc/97/13/65/1045971365.db2.gz DYWYWNIQRSLXSU-UTKZUKDTSA-N 1 1 338.495 4.221 20 10 EICDMO CCN1CC[C@H]([N@@H+](C)Cc2cc(-c3ccccc3)ccc2O)[C@H](C)C1 ZINC000769482765 1045971376 /nfs/dbraw/zinc/97/13/76/1045971376.db2.gz DYWYWNIQRSLXSU-UTKZUKDTSA-N 1 1 338.495 4.221 20 10 EICDMO C[C@H](Cc1ccccc1Cl)[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001170288902 1045991112 /nfs/dbraw/zinc/99/11/12/1045991112.db2.gz ZAZIMZIZANAHLZ-CYBMUJFWSA-N 1 1 331.843 4.131 20 10 EICDMO CCOc1ccc(C[N@H+]2CCC[C@H]2CC(=O)c2ccccc2)c(O)c1 ZINC000769493299 1045994762 /nfs/dbraw/zinc/99/47/62/1045994762.db2.gz SMNDVCJAVUOGJX-SFHVURJKSA-N 1 1 339.435 4.028 20 10 EICDMO Oc1c(Br)cccc1C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000769499869 1045996037 /nfs/dbraw/zinc/99/60/37/1045996037.db2.gz WZLCDKXDSSWZJR-ZIAGYGMSSA-N 1 1 342.302 4.015 20 10 EICDMO Oc1c(Br)cccc1C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000769499869 1045996047 /nfs/dbraw/zinc/99/60/47/1045996047.db2.gz WZLCDKXDSSWZJR-ZIAGYGMSSA-N 1 1 342.302 4.015 20 10 EICDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cc(C)ccc1O ZINC000769531931 1046011168 /nfs/dbraw/zinc/01/11/68/1046011168.db2.gz FYDRLNNGWUIXRE-GOSISDBHSA-N 1 1 335.451 4.023 20 10 EICDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cc(Br)ccc2O)C1 ZINC000769550411 1046018268 /nfs/dbraw/zinc/01/82/68/1046018268.db2.gz RWFSFEUWNFVOTN-KBPBESRZSA-N 1 1 344.318 4.261 20 10 EICDMO Cc1csc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)n1 ZINC000792957052 1046117505 /nfs/dbraw/zinc/11/75/05/1046117505.db2.gz OJKMWUSUWZZUII-NSHDSACASA-N 1 1 343.418 4.387 20 10 EICDMO CC(C)[N@@H+](Cc1ccn(C2CCCC2)n1)Cc1ccc(N(C)C)cc1 ZINC000763398092 1046126636 /nfs/dbraw/zinc/12/66/36/1046126636.db2.gz PCHOBOYLKJMQNP-UHFFFAOYSA-N 1 1 340.515 4.475 20 10 EICDMO COc1cc(O)c(C[N@H+]2CC[C@H](c3ccc(C)cc3C)C2)cc1OC ZINC000793231450 1046178265 /nfs/dbraw/zinc/17/82/65/1046178265.db2.gz CRJRXQGALMXGLG-INIZCTEOSA-N 1 1 341.451 4.016 20 10 EICDMO COc1cc(Cl)cc(C[N@@H+](C)Cc2ccccc2SC)c1O ZINC000793234244 1046182368 /nfs/dbraw/zinc/18/23/68/1046182368.db2.gz YBXZLTNHLMWFDD-UHFFFAOYSA-N 1 1 337.872 4.408 20 10 EICDMO COc1cccc(C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2F)c1O ZINC000770350966 1046190689 /nfs/dbraw/zinc/19/06/89/1046190689.db2.gz RMPXGLCMIMJURN-QGZVFWFLSA-N 1 1 333.378 4.406 20 10 EICDMO Oc1ccccc1C[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000770506134 1046209225 /nfs/dbraw/zinc/20/92/25/1046209225.db2.gz UGMHGANRJBYARS-HNNXBMFYSA-N 1 1 331.843 4.337 20 10 EICDMO Oc1ccccc1C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000770504558 1046209645 /nfs/dbraw/zinc/20/96/45/1046209645.db2.gz JFRFJOKRALWWEK-CTNGQTDRSA-N 1 1 325.452 4.261 20 10 EICDMO Cc1ccncc1C[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000793338280 1046211039 /nfs/dbraw/zinc/21/10/39/1046211039.db2.gz DMYRMKQIIZMPQL-UHFFFAOYSA-N 1 1 348.446 4.307 20 10 EICDMO Cn1c[nH+]c2cc(NCc3ccccc3OCc3cccnc3)ccc21 ZINC000770588787 1046230124 /nfs/dbraw/zinc/23/01/24/1046230124.db2.gz MOUJVHLMHAFKLS-UHFFFAOYSA-N 1 1 344.418 4.159 20 10 EICDMO COc1cc(O)c(C[N@@H+]2CC=C(c3cccc(C)c3)CC2)cc1OC ZINC000770661068 1046241783 /nfs/dbraw/zinc/24/17/83/1046241783.db2.gz LYZOTRWJTFYNHU-UHFFFAOYSA-N 1 1 339.435 4.007 20 10 EICDMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@H](CSC)C3)c2c1 ZINC000793794539 1046334149 /nfs/dbraw/zinc/33/41/49/1046334149.db2.gz XTBFXPYJCBDDSK-CQSZACIVSA-N 1 1 331.481 4.129 20 10 EICDMO COc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc(Cl)c1OC ZINC000771934895 1046527822 /nfs/dbraw/zinc/52/78/22/1046527822.db2.gz GKQXOLOCAQXGAD-UHFFFAOYSA-N 1 1 348.874 4.055 20 10 EICDMO COc1cc(Br)cc(C[N@@H+]2CC[C@H]2c2ccccc2)c1O ZINC000771939370 1046532947 /nfs/dbraw/zinc/53/29/47/1046532947.db2.gz QKYAFIMYIROWTN-HNNXBMFYSA-N 1 1 348.240 4.110 20 10 EICDMO COc1cc(Br)cc(C[N@H+]2CC[C@H]2c2ccccc2)c1O ZINC000771939370 1046532964 /nfs/dbraw/zinc/53/29/64/1046532964.db2.gz QKYAFIMYIROWTN-HNNXBMFYSA-N 1 1 348.240 4.110 20 10 EICDMO Oc1c(Br)cccc1C[NH2+]Cc1sccc1Cl ZINC000787290011 1046970663 /nfs/dbraw/zinc/97/06/63/1046970663.db2.gz LSIIRBUZVHHXKF-UHFFFAOYSA-N 1 1 332.650 4.159 20 10 EICDMO COc1cc(C[N@@H+](C)Cc2cc3c(cc2O)CCC3)ccc1SC ZINC000746715731 1047070756 /nfs/dbraw/zinc/07/07/56/1047070756.db2.gz YRHONFKBQBRXKZ-UHFFFAOYSA-N 1 1 343.492 4.243 20 10 EICDMO CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788615180 1047249885 /nfs/dbraw/zinc/24/98/85/1047249885.db2.gz YDHSVVCJZTUUJM-CHWSQXEVSA-N 1 1 333.394 4.106 20 10 EICDMO C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cccc(C(F)(F)F)c1O ZINC000788669964 1047268574 /nfs/dbraw/zinc/26/85/74/1047268574.db2.gz HASSWCSACWGQGN-RYUDHWBXSA-N 1 1 329.362 4.163 20 10 EICDMO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC000788796735 1047303844 /nfs/dbraw/zinc/30/38/44/1047303844.db2.gz IBGDKFRDFORILG-QUCCMNQESA-N 1 1 338.495 4.182 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCO[C@H](c3cccs3)C2)cc1C(C)C ZINC000760407292 1047360323 /nfs/dbraw/zinc/36/03/23/1047360323.db2.gz ICBAXRFSHNZLQX-SFHVURJKSA-N 1 1 331.481 4.459 20 10 EICDMO C[C@@H]1OC2(CC[NH+](Cc3cc(F)c(F)cc3O)CC2)c2ccccc21 ZINC001142534531 1047555187 /nfs/dbraw/zinc/55/51/87/1047555187.db2.gz MNEYCQIZUSGBPJ-ZDUSSCGKSA-N 1 1 345.389 4.253 20 10 EICDMO COc1cccc(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)c1O ZINC000154881073 1047739672 /nfs/dbraw/zinc/73/96/72/1047739672.db2.gz LCKWBVOHYKSJJR-UHFFFAOYSA-N 1 1 325.330 4.052 20 10 EICDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCC23CCOCC3)cc1 ZINC000824291856 1047851044 /nfs/dbraw/zinc/85/10/44/1047851044.db2.gz IGHHYZZTUILULG-UHFFFAOYSA-N 1 1 342.508 4.139 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000814178475 1047869197 /nfs/dbraw/zinc/86/91/97/1047869197.db2.gz QWYQHKIONYIQSD-NRFANRHFSA-N 1 1 337.463 4.308 20 10 EICDMO Cc1cc(O)c(C[N@H+](C)CC(=O)Nc2c(C)cccc2C)cc1Cl ZINC000824522806 1047881193 /nfs/dbraw/zinc/88/11/93/1047881193.db2.gz TWGFIOIXEGKLES-UHFFFAOYSA-N 1 1 346.858 4.041 20 10 EICDMO Cc1cc(O)c(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C)cc1Cl ZINC000824522806 1047881194 /nfs/dbraw/zinc/88/11/94/1047881194.db2.gz TWGFIOIXEGKLES-UHFFFAOYSA-N 1 1 346.858 4.041 20 10 EICDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC(C)(C)[C@H]2c2ccncc2)c1 ZINC000814230435 1047899217 /nfs/dbraw/zinc/89/92/17/1047899217.db2.gz QDSWMKVOEXAOCI-LJQANCHMSA-N 1 1 340.467 4.373 20 10 EICDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC(C)(C)[C@H]2c2ccncc2)c1 ZINC000814230435 1047899219 /nfs/dbraw/zinc/89/92/19/1047899219.db2.gz QDSWMKVOEXAOCI-LJQANCHMSA-N 1 1 340.467 4.373 20 10 EICDMO CO[C@@H]1CC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C[C@H]1C ZINC000824820433 1047958722 /nfs/dbraw/zinc/95/87/22/1047958722.db2.gz FSIJACZBIXBFSZ-OXQOHEQNSA-N 1 1 344.524 4.241 20 10 EICDMO CCn1ccnc1[C@@H](C)[NH2+]Cc1cc(C)n(-c2cccc(C)c2)c1C ZINC000825005734 1048009073 /nfs/dbraw/zinc/00/90/73/1048009073.db2.gz QTJBBAIBLJZFBX-QGZVFWFLSA-N 1 1 336.483 4.470 20 10 EICDMO COc1cc(C[N@@H+](C)[C@H](C)c2ccccn2)c(O)c(C(C)(C)C)c1 ZINC000825451228 1048095472 /nfs/dbraw/zinc/09/54/72/1048095472.db2.gz RKGSHBFQAMWJBH-CQSZACIVSA-N 1 1 328.456 4.286 20 10 EICDMO C[C@@H](c1ccccc1)[N@H+](Cc1cc2n(n1)CCC2)Cc1ccccc1O ZINC000844314723 1048292980 /nfs/dbraw/zinc/29/29/80/1048292980.db2.gz VHEKCTIRMHSQSN-KRWDZBQOSA-N 1 1 347.462 4.298 20 10 EICDMO C[C@@H](c1ccccc1)[N@@H+](Cc1cc2n(n1)CCC2)Cc1ccccc1O ZINC000844314723 1048292992 /nfs/dbraw/zinc/29/29/92/1048292992.db2.gz VHEKCTIRMHSQSN-KRWDZBQOSA-N 1 1 347.462 4.298 20 10 EICDMO Cc1cc(O)c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1C ZINC000919950418 1048332938 /nfs/dbraw/zinc/33/29/38/1048332938.db2.gz KWADRTARDWPWCI-UHFFFAOYSA-N 1 1 328.412 4.328 20 10 EICDMO CC[N@@H+](Cc1ccc2ccccc2c1)Cc1cc2c(cc1O)OCO2 ZINC000919953358 1048335730 /nfs/dbraw/zinc/33/57/30/1048335730.db2.gz JKTKUWJKRZYVIV-UHFFFAOYSA-N 1 1 335.403 4.296 20 10 EICDMO CCN(C)c1ccc(C[N@@H+]2CCCC[C@H]2c2nccn2CC)cc1 ZINC000815105182 1048347438 /nfs/dbraw/zinc/34/74/38/1048347438.db2.gz GXNOAJIMUPKTEB-IBGZPJMESA-N 1 1 326.488 4.086 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@H]2c2nccn2CC)cc1 ZINC000815105182 1048347455 /nfs/dbraw/zinc/34/74/55/1048347455.db2.gz GXNOAJIMUPKTEB-IBGZPJMESA-N 1 1 326.488 4.086 20 10 EICDMO Cc1cc(Br)c(O)c(CNc2cccc(C3CC3)[nH+]2)c1 ZINC000815143179 1048365584 /nfs/dbraw/zinc/36/55/84/1048365584.db2.gz GHOFDBQDQJBCAV-UHFFFAOYSA-N 1 1 333.229 4.348 20 10 EICDMO Oc1ccc2oc3c(c2c1C[N@H+]1CC[C@@]2(CC2(F)F)C1)CCCC3 ZINC000844756735 1048487783 /nfs/dbraw/zinc/48/77/83/1048487783.db2.gz LPVBYEIEIQESNQ-GOSISDBHSA-N 1 1 333.378 4.248 20 10 EICDMO CC[N@@H+](Cc1ccncc1)Cc1ccc(OCc2ccccc2)cc1O ZINC000809726127 1048499216 /nfs/dbraw/zinc/49/92/16/1048499216.db2.gz DDDITRJIPLKZOO-UHFFFAOYSA-N 1 1 348.446 4.388 20 10 EICDMO C[C@@H]1[C@@H](N2CCCC2)CC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000809724596 1048500516 /nfs/dbraw/zinc/50/05/16/1048500516.db2.gz RCGSMAGYWWCPDI-UTKZUKDTSA-N 1 1 336.479 4.118 20 10 EICDMO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc(-c2ccccc2)ccc1O ZINC000809724596 1048500533 /nfs/dbraw/zinc/50/05/33/1048500533.db2.gz RCGSMAGYWWCPDI-UTKZUKDTSA-N 1 1 336.479 4.118 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)cc1 ZINC000809768821 1048503250 /nfs/dbraw/zinc/50/32/50/1048503250.db2.gz XNMKDXIAKOGWPN-LJQANCHMSA-N 1 1 326.488 4.210 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)cc1F ZINC000809768566 1048504085 /nfs/dbraw/zinc/50/40/85/1048504085.db2.gz OUXQDVCUZXJRPX-IBGZPJMESA-N 1 1 344.478 4.349 20 10 EICDMO C[C@H]([NH2+]Cc1ccc(Cl)nc1)c1cccc(C(F)(F)F)c1O ZINC000815562139 1048510673 /nfs/dbraw/zinc/51/06/73/1048510673.db2.gz XZOHNIZPSVLSGU-VIFPVBQESA-N 1 1 330.737 4.310 20 10 EICDMO CCC(CC)(CCO)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815585416 1048522129 /nfs/dbraw/zinc/52/21/29/1048522129.db2.gz HNQJSHUGKIDEAN-GFCCVEGCSA-N 1 1 333.394 4.250 20 10 EICDMO CCOc1ccc(O)c(C[N@@H+](C)[C@@H](CC)c2cccc(OC)c2)c1 ZINC000809783401 1048528958 /nfs/dbraw/zinc/52/89/58/1048528958.db2.gz BIMYBFWIHBHJOQ-IBGZPJMESA-N 1 1 329.440 4.383 20 10 EICDMO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc(C(F)(F)F)c1O ZINC000815600056 1048533424 /nfs/dbraw/zinc/53/34/24/1048533424.db2.gz KMRQSCZQXDMYIT-SPGJAERMSA-N 1 1 341.373 4.019 20 10 EICDMO COc1ccc(C[N@@H+](Cc2cccc(OC)c2O)C(C)(C)C)cc1 ZINC000809792304 1048535687 /nfs/dbraw/zinc/53/56/87/1048535687.db2.gz QTUHWQVUVQJVDZ-UHFFFAOYSA-N 1 1 329.440 4.210 20 10 EICDMO Cc1cc(C)c(O)c(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000217631515 1048581300 /nfs/dbraw/zinc/58/13/00/1048581300.db2.gz BWEPEYHCOZSRCO-UHFFFAOYSA-N 1 1 334.803 4.203 20 10 EICDMO Cc1cc(C)c(O)c(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000217631515 1048581313 /nfs/dbraw/zinc/58/13/13/1048581313.db2.gz BWEPEYHCOZSRCO-UHFFFAOYSA-N 1 1 334.803 4.203 20 10 EICDMO Oc1cc(F)c(Br)cc1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001144306933 1048583426 /nfs/dbraw/zinc/58/34/26/1048583426.db2.gz XCEYDZSGAFZEEV-HZMBPMFUSA-N 1 1 328.225 4.058 20 10 EICDMO Oc1cc(F)c(Br)cc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001144306933 1048583441 /nfs/dbraw/zinc/58/34/41/1048583441.db2.gz XCEYDZSGAFZEEV-HZMBPMFUSA-N 1 1 328.225 4.058 20 10 EICDMO CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@H]1CCOC(C)(C)C1 ZINC000810043099 1048605503 /nfs/dbraw/zinc/60/55/03/1048605503.db2.gz OWBGUXMGPRWULO-HNNXBMFYSA-N 1 1 339.863 4.028 20 10 EICDMO CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@H]1CCOC(C)(C)C1 ZINC000810043099 1048605507 /nfs/dbraw/zinc/60/55/07/1048605507.db2.gz OWBGUXMGPRWULO-HNNXBMFYSA-N 1 1 339.863 4.028 20 10 EICDMO Oc1cc(O)c(C[N@@H+](CCc2ccccc2)Cc2ccccc2)c(O)c1 ZINC001144514367 1048709050 /nfs/dbraw/zinc/70/90/50/1048709050.db2.gz AEWFSRHRSBVWSB-UHFFFAOYSA-N 1 1 349.430 4.048 20 10 EICDMO CCc1nnc(C[NH2+][C@@H](CC)c2ccc(C(F)(F)F)cc2O)s1 ZINC000810260811 1048711582 /nfs/dbraw/zinc/71/15/82/1048711582.db2.gz QIRPLTLGJFZMQM-NSHDSACASA-N 1 1 345.390 4.066 20 10 EICDMO CC[C@]1(C[NH2+][C@H](C)c2ccc(F)cc2O)OCCc2ccccc21 ZINC000810243774 1048727472 /nfs/dbraw/zinc/72/74/72/1048727472.db2.gz UEHKQEQFHLNIEK-JLTOFOAXSA-N 1 1 329.415 4.060 20 10 EICDMO CC(C)[N@@H+](C)C[C@@H](C)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000810254263 1048732533 /nfs/dbraw/zinc/73/25/33/1048732533.db2.gz LDDJBIHSFHTFGB-SJORKVTESA-N 1 1 335.511 4.195 20 10 EICDMO CC(C)[N@H+](C)C[C@@H](C)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000810254263 1048732552 /nfs/dbraw/zinc/73/25/52/1048732552.db2.gz LDDJBIHSFHTFGB-SJORKVTESA-N 1 1 335.511 4.195 20 10 EICDMO CN(C)c1ccc(C[N@H+](C)Cc2sccc2Br)cc1 ZINC000920781620 1048770230 /nfs/dbraw/zinc/77/02/30/1048770230.db2.gz TUXPNJXWPXUYFY-UHFFFAOYSA-N 1 1 339.302 4.209 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)Cc2sccc2Br)cc1 ZINC000920781620 1048770243 /nfs/dbraw/zinc/77/02/43/1048770243.db2.gz TUXPNJXWPXUYFY-UHFFFAOYSA-N 1 1 339.302 4.209 20 10 EICDMO COc1cc(O)c(C[N@@H+](C)[C@H](C)CSc2ccccc2)cc1OC ZINC000846000999 1048782267 /nfs/dbraw/zinc/78/22/67/1048782267.db2.gz YEEADKGLOCOVIP-CQSZACIVSA-N 1 1 347.480 4.022 20 10 EICDMO CSCc1cnc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)s1 ZINC000816487345 1048813024 /nfs/dbraw/zinc/81/30/24/1048813024.db2.gz KGAJJQOGEFESJM-UHFFFAOYSA-N 1 1 349.569 4.483 20 10 EICDMO CSCc1cnc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)s1 ZINC000816487345 1048813030 /nfs/dbraw/zinc/81/30/30/1048813030.db2.gz KGAJJQOGEFESJM-UHFFFAOYSA-N 1 1 349.569 4.483 20 10 EICDMO CCCCOc1ncccc1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816543072 1048827343 /nfs/dbraw/zinc/82/73/43/1048827343.db2.gz NEBHVPQOPUGRQB-UHFFFAOYSA-N 1 1 338.810 4.048 20 10 EICDMO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816548420 1048828158 /nfs/dbraw/zinc/82/81/58/1048828158.db2.gz HFKPCIHCEIKYBA-BBRMVZONSA-N 1 1 348.849 4.110 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H](c1ccccc1)c1cccnc1 ZINC000816546771 1048828545 /nfs/dbraw/zinc/82/85/45/1048828545.db2.gz VWQLNKYLXGQDTR-LJQANCHMSA-N 1 1 342.801 4.459 20 10 EICDMO CSc1ccc(F)cc1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816554329 1048834123 /nfs/dbraw/zinc/83/41/23/1048834123.db2.gz VHTOHNFCQJSFKO-UHFFFAOYSA-N 1 1 329.799 4.336 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000816560082 1048835248 /nfs/dbraw/zinc/83/52/48/1048835248.db2.gz DBTJOWJKMXDPEB-HNNXBMFYSA-N 1 1 339.769 4.327 20 10 EICDMO COCCC1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCCCC1 ZINC000816573932 1048838209 /nfs/dbraw/zinc/83/82/09/1048838209.db2.gz QYEHPLBBJJVTFE-UHFFFAOYSA-N 1 1 329.843 4.261 20 10 EICDMO COc1cc(O)c(C[N@H+]2CC3(CCC3)[C@H]2c2ccccc2)cc1OC ZINC000816630832 1048838593 /nfs/dbraw/zinc/83/85/93/1048838593.db2.gz SYJIQFVVWPXIMW-HXUWFJFHSA-N 1 1 339.435 4.137 20 10 EICDMO c1ccc([C@@H]2[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC23CCC3)cc1 ZINC000816630502 1048840488 /nfs/dbraw/zinc/84/04/88/1048840488.db2.gz GKERGJXPQAQHQV-QFIPXVFZSA-N 1 1 348.490 4.250 20 10 EICDMO CCN(Cc1ccccc1)c1ccc(C[N@H+]2CCC[C@H](O)CC2)cc1 ZINC000816667818 1048854031 /nfs/dbraw/zinc/85/40/31/1048854031.db2.gz XSGWBGCHNWVBGW-QFIPXVFZSA-N 1 1 338.495 4.060 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000811519455 1049105204 /nfs/dbraw/zinc/10/52/04/1049105204.db2.gz XWTNQVGETYERRW-UXHICEINSA-N 1 1 328.500 4.066 20 10 EICDMO CC(C)[N@@H+](Cc1cc2oc3ccccc3c2cc1O)[C@@H]1CCOC1 ZINC000812290221 1049415962 /nfs/dbraw/zinc/41/59/62/1049415962.db2.gz BJEHUHUCOFTUOI-OAHLLOKOSA-N 1 1 325.408 4.291 20 10 EICDMO COc1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)c(O)cc1C ZINC000812297098 1049433361 /nfs/dbraw/zinc/43/33/61/1049433361.db2.gz GRRHGQKPQLOOLI-KGLIPLIRSA-N 1 1 331.378 4.262 20 10 EICDMO COc1ccc(O)c([C@H](C)NC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)c1 ZINC000813331419 1049752981 /nfs/dbraw/zinc/75/29/81/1049752981.db2.gz ONUFDYVGTLVIEY-XYJFISCASA-N 1 1 346.515 4.095 20 10 EICDMO Cc1nc(C[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)cs1 ZINC000823625542 1049864003 /nfs/dbraw/zinc/86/40/03/1049864003.db2.gz XVDGXNIAUPIENJ-UHFFFAOYSA-N 1 1 343.521 4.439 20 10 EICDMO CCC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1C)Cc1ccccc1O ZINC000069009930 1049954521 /nfs/dbraw/zinc/95/45/21/1049954521.db2.gz YKGGUGLBQFZEJF-UHFFFAOYSA-N 1 1 340.467 4.168 20 10 EICDMO CC[N@@H+](Cc1ccccc1O)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921383 1050234412 /nfs/dbraw/zinc/23/44/12/1050234412.db2.gz PNMCPEXFMKWRTE-SFHVURJKSA-N 1 1 340.423 4.070 20 10 EICDMO CC[C@@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)c1ccccc1OC ZINC000775075761 1050458712 /nfs/dbraw/zinc/45/87/12/1050458712.db2.gz CPMFBDKJZHYOLN-QGZVFWFLSA-N 1 1 347.842 4.498 20 10 EICDMO CCc1cccc(C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)c1O ZINC001179849449 1050795543 /nfs/dbraw/zinc/79/55/43/1050795543.db2.gz DXYIVUROARMZOR-NRFANRHFSA-N 1 1 339.479 4.217 20 10 EICDMO CCS[C@H]1CCCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC001179892870 1050803637 /nfs/dbraw/zinc/80/36/37/1050803637.db2.gz VCJJXXSKHLXQEL-LBPRGKRZSA-N 1 1 344.318 4.262 20 10 EICDMO C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001179877326 1050812590 /nfs/dbraw/zinc/81/25/90/1050812590.db2.gz CSAIVWREVVPJON-AWEZNQCLSA-N 1 1 348.849 4.064 20 10 EICDMO COc1cc(C)cc(C[N@@H+](C)[C@H](C)Cc2ccc(Cl)cc2)c1O ZINC001179938421 1050824122 /nfs/dbraw/zinc/82/41/22/1050824122.db2.gz URIZLWXQHIWIAR-CQSZACIVSA-N 1 1 333.859 4.426 20 10 EICDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cc(C)cc(OC)c2O)s1 ZINC001179906289 1050830673 /nfs/dbraw/zinc/83/06/73/1050830673.db2.gz WRYAEEPCYAKAFX-CYBMUJFWSA-N 1 1 334.485 4.230 20 10 EICDMO CC[C@@H]1CCCC[C@H]1C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC001179969928 1050836816 /nfs/dbraw/zinc/83/68/16/1050836816.db2.gz PLZCYWKSARZUHB-MOPGFXCFSA-N 1 1 330.516 4.424 20 10 EICDMO COc1ccc2ccc(O)c(C[N@@H+](C)C[C@@H](C)c3nccs3)c2c1 ZINC000182855580 1050853469 /nfs/dbraw/zinc/85/34/69/1050853469.db2.gz YCKBSAXHLJYFLJ-CYBMUJFWSA-N 1 1 342.464 4.246 20 10 EICDMO CCc1cccc(C[N@@H+](CCCc2ccccc2)CCOC)c1O ZINC001180029884 1050856673 /nfs/dbraw/zinc/85/66/73/1050856673.db2.gz GZBHBWQWGKKXFK-UHFFFAOYSA-N 1 1 327.468 4.036 20 10 EICDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(Cl)cc2O)C1 ZINC001180029651 1050857885 /nfs/dbraw/zinc/85/78/85/1050857885.db2.gz DLXYZLCNKWAMSQ-HZPDHXFCSA-N 1 1 336.907 4.132 20 10 EICDMO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1c(C)cc(OC)cc1O)CCC2 ZINC001180076324 1050874950 /nfs/dbraw/zinc/87/49/50/1050874950.db2.gz FDTCATKNBKSLED-MRXNPFEDSA-N 1 1 346.496 4.238 20 10 EICDMO CN(C)c1ccc(/C=C\C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC001180174956 1050894243 /nfs/dbraw/zinc/89/42/43/1050894243.db2.gz PQHVDBIKRPUPSA-WCMNTNLDSA-N 1 1 340.467 4.040 20 10 EICDMO CC(C)[N@@H+](CCc1ccccc1)Cc1cc(F)c(N(C)C)cc1F ZINC001180153856 1050901953 /nfs/dbraw/zinc/90/19/53/1050901953.db2.gz LZGLGOKMOBXYEI-UHFFFAOYSA-N 1 1 332.438 4.484 20 10 EICDMO Cc1cc(O)c(CN2CCC[N@@H+](Cc3ccccc3)CC2)c(Cl)c1 ZINC001180297365 1050958131 /nfs/dbraw/zinc/95/81/31/1050958131.db2.gz VDHLXSIUUVBOOD-UHFFFAOYSA-N 1 1 344.886 4.062 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CCCN(Cc3ccccc3)CC2)c(Cl)c1 ZINC001180297365 1050958142 /nfs/dbraw/zinc/95/81/42/1050958142.db2.gz VDHLXSIUUVBOOD-UHFFFAOYSA-N 1 1 344.886 4.062 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCCN(Cc3ccccc3)CC2)c(Cl)c1 ZINC001180297365 1050958155 /nfs/dbraw/zinc/95/81/55/1050958155.db2.gz VDHLXSIUUVBOOD-UHFFFAOYSA-N 1 1 344.886 4.062 20 10 EICDMO Cc1cccc(C[N@@H+](C)Cc2cc(Br)cc(F)c2O)c1 ZINC001180386887 1050978159 /nfs/dbraw/zinc/97/81/59/1050978159.db2.gz SHWMSWGZPWSNLV-UHFFFAOYSA-N 1 1 338.220 4.234 20 10 EICDMO Cc1cccc(C[N@H+](C)Cc2cc(Br)cc(F)c2O)c1 ZINC001180386887 1050978173 /nfs/dbraw/zinc/97/81/73/1050978173.db2.gz SHWMSWGZPWSNLV-UHFFFAOYSA-N 1 1 338.220 4.234 20 10 EICDMO CN(C)c1ccc(/C=C/C[N@@H+](C)Cc2ccc(Br)o2)cc1 ZINC001180393269 1050979516 /nfs/dbraw/zinc/97/95/16/1050979516.db2.gz MXOIDWATUCQMMR-SNAWJCMRSA-N 1 1 349.272 4.253 20 10 EICDMO CC[N@@H+](CCSc1ccc(OC)cc1)Cc1ccc(N(C)C)cc1 ZINC001180480066 1051001374 /nfs/dbraw/zinc/00/13/74/1051001374.db2.gz WGAGXUAQTGLASI-UHFFFAOYSA-N 1 1 344.524 4.375 20 10 EICDMO C[C@@H](c1ccccc1)[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC001180497296 1051023231 /nfs/dbraw/zinc/02/32/31/1051023231.db2.gz IADHCCAMXVOKKC-NSHDSACASA-N 1 1 338.220 4.487 20 10 EICDMO C[C@@H](c1ccccc1)[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC001180497296 1051023242 /nfs/dbraw/zinc/02/32/42/1051023242.db2.gz IADHCCAMXVOKKC-NSHDSACASA-N 1 1 338.220 4.487 20 10 EICDMO C[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)Cc1ccccc1O ZINC000183287821 1051066704 /nfs/dbraw/zinc/06/67/04/1051066704.db2.gz WGSVSRGIIBCXNV-UHFFFAOYSA-N 1 1 343.320 4.104 20 10 EICDMO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1cc(F)ccc1O ZINC001180874406 1051098841 /nfs/dbraw/zinc/09/88/41/1051098841.db2.gz ZQRYQMAIQLNWNQ-UHFFFAOYSA-N 1 1 343.320 4.061 20 10 EICDMO C[C@@H]([NH2+]Cc1cc(Br)cs1)c1ccc(F)cc1O ZINC000071307953 1051124768 /nfs/dbraw/zinc/12/47/68/1051124768.db2.gz MZSYAQHRKWHAHS-MRVPVSSYSA-N 1 1 330.222 4.206 20 10 EICDMO CCCc1ccc(C[N@H+]2CCCN(c3ccc(OC)cc3)CC2)cc1 ZINC001190445251 1051174332 /nfs/dbraw/zinc/17/43/32/1051174332.db2.gz FUHQGYPBKCHRRP-UHFFFAOYSA-N 1 1 338.495 4.360 20 10 EICDMO COC(=O)c1c(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)c2cc(F)ccc2n1C ZINC001181399741 1051226181 /nfs/dbraw/zinc/22/61/81/1051226181.db2.gz LYMOGEDFJQECOL-CQSZACIVSA-N 1 1 346.446 4.115 20 10 EICDMO Oc1c(F)cc(F)cc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC001181600547 1051257322 /nfs/dbraw/zinc/25/73/22/1051257322.db2.gz MPPIPIJMNYYQQC-SCTDSRPQSA-N 1 1 329.390 4.439 20 10 EICDMO Oc1c(F)cc(F)cc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC001181600547 1051257332 /nfs/dbraw/zinc/25/73/32/1051257332.db2.gz MPPIPIJMNYYQQC-SCTDSRPQSA-N 1 1 329.390 4.439 20 10 EICDMO CCN(C)c1ccc(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC001191060231 1051336783 /nfs/dbraw/zinc/33/67/83/1051336783.db2.gz ZBQZAPKZYHENMG-TZIWHRDSSA-N 1 1 343.559 4.229 20 10 EICDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)C[C@@H]1C ZINC001191418180 1051452846 /nfs/dbraw/zinc/45/28/46/1051452846.db2.gz SDYYPGLDVCZTJY-FPOVZHCZSA-N 1 1 343.559 4.290 20 10 EICDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)C[C@@H]1C ZINC001191418180 1051452851 /nfs/dbraw/zinc/45/28/51/1051452851.db2.gz SDYYPGLDVCZTJY-FPOVZHCZSA-N 1 1 343.559 4.290 20 10 EICDMO Cc1csc(CC[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)n1 ZINC000774123158 1051469627 /nfs/dbraw/zinc/46/96/27/1051469627.db2.gz NSKWFRMDSOWYFV-VIFPVBQESA-N 1 1 331.268 4.357 20 10 EICDMO COc1cc(C[N@H+]2CCC[C@]3(CCSC3)C2)c(O)c(C(C)(C)C)c1 ZINC001182325559 1051499529 /nfs/dbraw/zinc/49/95/29/1051499529.db2.gz APDGFDDFSTXRNB-FQEVSTJZSA-N 1 1 349.540 4.417 20 10 EICDMO CC(C)C[C@H](CCO)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774204309 1051499857 /nfs/dbraw/zinc/49/98/57/1051499857.db2.gz SSLHDRHPNLNNSN-NEPJUHHUSA-N 1 1 334.287 4.394 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1cc(Cl)c(Cl)cc1O ZINC000774213917 1051505933 /nfs/dbraw/zinc/50/59/33/1051505933.db2.gz PNHWGIYUQCDNKL-WDEREUQCSA-N 1 1 325.239 4.376 20 10 EICDMO C[C@H](Cc1ccncc1)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774213913 1051506830 /nfs/dbraw/zinc/50/68/30/1051506830.db2.gz PNHWGIYUQCDNKL-MNOVXSKESA-N 1 1 325.239 4.376 20 10 EICDMO CCC[N@@H+](Cc1cc(Br)cc(OC)c1O)[C@H](C)CC ZINC001204336184 1051509371 /nfs/dbraw/zinc/50/93/71/1051509371.db2.gz FPVJVCVSRQKAAW-LLVKDONJSA-N 1 1 330.266 4.174 20 10 EICDMO CC(C)[C@H](O)C1(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)CC1 ZINC000774270399 1051539270 /nfs/dbraw/zinc/53/92/70/1051539270.db2.gz DYQINDYNKVMLMI-BMIGLBTASA-N 1 1 332.271 4.147 20 10 EICDMO CC(C)c1ccc(O)c(C[N@H+]2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)c1 ZINC001182763417 1051687042 /nfs/dbraw/zinc/68/70/42/1051687042.db2.gz GJTKLJPIOUQGDJ-RHSMWYFYSA-N 1 1 333.472 4.210 20 10 EICDMO CC[C@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1cc(Cl)ccc1O ZINC000775523761 1051702281 /nfs/dbraw/zinc/70/22/81/1051702281.db2.gz MBIXKPRKMCEUJR-LSDHHAIUSA-N 1 1 341.785 4.098 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[NH2+]CC1(C(F)(F)F)CCCC1 ZINC001183156646 1051805871 /nfs/dbraw/zinc/80/58/71/1051805871.db2.gz OSMUPUFIRWWWCS-UHFFFAOYSA-N 1 1 325.733 4.397 20 10 EICDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1ccccc1 ZINC001176036457 1051881055 /nfs/dbraw/zinc/88/10/55/1051881055.db2.gz MPUDCRIJWJXYSS-GCJKJVERSA-N 1 1 336.479 4.106 20 10 EICDMO COc1c(O)c(C[N@H+](C)[C@H](C)c2cc(C)ccc2C)ccc1[N+](=O)[O-] ZINC000774834639 1052174033 /nfs/dbraw/zinc/17/40/33/1052174033.db2.gz GPYIYNXZSRTGRY-CQSZACIVSA-N 1 1 344.411 4.119 20 10 EICDMO COc1c(O)c(C[N@@H+](C)[C@H](C)c2cc(C)ccc2C)ccc1[N+](=O)[O-] ZINC000774834639 1052174042 /nfs/dbraw/zinc/17/40/42/1052174042.db2.gz GPYIYNXZSRTGRY-CQSZACIVSA-N 1 1 344.411 4.119 20 10 EICDMO CC[C@@H](c1ccccc1)[N@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774838150 1052189154 /nfs/dbraw/zinc/18/91/54/1052189154.db2.gz BFFZPZIBIXJTQY-INIZCTEOSA-N 1 1 344.411 4.282 20 10 EICDMO CC[C@@H](c1ccccc1)[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774838150 1052189157 /nfs/dbraw/zinc/18/91/57/1052189157.db2.gz BFFZPZIBIXJTQY-INIZCTEOSA-N 1 1 344.411 4.282 20 10 EICDMO CCOc1cccc(C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c1O ZINC001203614295 1052214064 /nfs/dbraw/zinc/21/40/64/1052214064.db2.gz VBXJCDUAPYOLJX-HNNXBMFYSA-N 1 1 331.843 4.434 20 10 EICDMO CC[NH+](CC)Cc1ccc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)cc1 ZINC001177133555 1052233994 /nfs/dbraw/zinc/23/39/94/1052233994.db2.gz YZCVCNPOMHQETB-UHFFFAOYSA-N 1 1 346.902 4.486 20 10 EICDMO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1ccc(F)cc1O ZINC000184835790 1052245897 /nfs/dbraw/zinc/24/58/97/1052245897.db2.gz OKKGSMMGGXKLOJ-BBRMVZONSA-N 1 1 334.460 4.081 20 10 EICDMO CCC[N@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(F)cc1Cl ZINC000775610306 1053091389 /nfs/dbraw/zinc/09/13/89/1053091389.db2.gz NPMYDRPZODHJIV-GOSISDBHSA-N 1 1 337.822 4.130 20 10 EICDMO C[C@H](NCC(C)(C)C[NH+](C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000764431872 1053099969 /nfs/dbraw/zinc/09/99/69/1053099969.db2.gz HGNZTBVMRNFONI-INIZCTEOSA-N 1 1 335.511 4.054 20 10 EICDMO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](C)c2nccn2C)cc1 ZINC000850410554 1053179894 /nfs/dbraw/zinc/17/98/94/1053179894.db2.gz PWNYCGOHPWYAGB-SFHVURJKSA-N 1 1 348.494 4.297 20 10 EICDMO COCc1csc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)c1 ZINC000850532896 1053295992 /nfs/dbraw/zinc/29/59/92/1053295992.db2.gz OVTZZIQQRJMSOZ-JTQLQIEISA-N 1 1 345.386 4.470 20 10 EICDMO CC(C)[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ccccc1 ZINC000850554443 1053310047 /nfs/dbraw/zinc/31/00/47/1053310047.db2.gz JPLJQOKXVPAHOG-JBBXEZCESA-N 1 1 335.394 4.079 20 10 EICDMO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](c2nccn2C)c2ccccc2)cc1 ZINC000764811202 1053323139 /nfs/dbraw/zinc/32/31/39/1053323139.db2.gz XHJLZKWYBIBIGD-LAUBAEHRSA-N 1 1 348.494 4.316 20 10 EICDMO CCN(CC)c1ccc(C[N@H+](C)Cc2nc3c(s2)CCC3)cc1 ZINC000775645989 1053338400 /nfs/dbraw/zinc/33/84/00/1053338400.db2.gz CZSBUFHRMHNBPK-UHFFFAOYSA-N 1 1 329.513 4.110 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2nc3c(s2)CCC3)cc1 ZINC000775645989 1053338417 /nfs/dbraw/zinc/33/84/17/1053338417.db2.gz CZSBUFHRMHNBPK-UHFFFAOYSA-N 1 1 329.513 4.110 20 10 EICDMO COc1cc(O)c(C[N@@H+](C)[C@H](C)c2ccc(C)cc2C)cc1OC ZINC000775652792 1053399027 /nfs/dbraw/zinc/39/90/27/1053399027.db2.gz UIAXVIQWXFTGGG-OAHLLOKOSA-N 1 1 329.440 4.219 20 10 EICDMO CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1ccc(C)cc1O ZINC000794807892 1053417793 /nfs/dbraw/zinc/41/77/93/1053417793.db2.gz MVRBPZLJHXTZCW-FQEVSTJZSA-N 1 1 326.484 4.393 20 10 EICDMO COCCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000794824131 1053438366 /nfs/dbraw/zinc/43/83/66/1053438366.db2.gz IFOTZQIDEKMJHY-QAPCUYQASA-N 1 1 331.431 4.220 20 10 EICDMO CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000765293086 1053499355 /nfs/dbraw/zinc/49/93/55/1053499355.db2.gz ZUWILBHEYKQYFM-ZWKOTPCHSA-N 1 1 347.522 4.199 20 10 EICDMO CCC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000765293086 1053499364 /nfs/dbraw/zinc/49/93/64/1053499364.db2.gz ZUWILBHEYKQYFM-ZWKOTPCHSA-N 1 1 347.522 4.199 20 10 EICDMO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C3CCCCC3)cc2)CCN1C ZINC000765446020 1053550905 /nfs/dbraw/zinc/55/09/05/1053550905.db2.gz PEYOMIRFWBLMGB-IEBWSBKVSA-N 1 1 329.532 4.028 20 10 EICDMO COC1CCN(c2ccc(C[N@@H+](CCC3CC3)CC3CC3)cc2)CC1 ZINC000852716761 1053603919 /nfs/dbraw/zinc/60/39/19/1053603919.db2.gz RWSDLAQVPABDON-UHFFFAOYSA-N 1 1 342.527 4.314 20 10 EICDMO Cc1cc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)ccc1N1CCCCC1 ZINC001197177633 1053847239 /nfs/dbraw/zinc/84/72/39/1053847239.db2.gz SMWSTECTAJXVMM-HJNYFJLDSA-N 1 1 342.527 4.111 20 10 EICDMO C[C@]1(C2CCCCC2)CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001197238962 1053859041 /nfs/dbraw/zinc/85/90/41/1053859041.db2.gz KWTFOOTZBAWMGW-OAQYLSRUSA-N 1 1 328.500 4.068 20 10 EICDMO Cc1cc[nH+]c(N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)c1 ZINC000776773254 1053866476 /nfs/dbraw/zinc/86/64/76/1053866476.db2.gz VYBATVFDWWITME-CQSZACIVSA-N 1 1 331.847 4.053 20 10 EICDMO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(F)cc1O ZINC000796725622 1054113409 /nfs/dbraw/zinc/11/34/09/1054113409.db2.gz XUMNGMYNHZOILV-GOSISDBHSA-N 1 1 328.431 4.155 20 10 EICDMO COc1ccc(F)c(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)c1 ZINC000857080265 1054174848 /nfs/dbraw/zinc/17/48/48/1054174848.db2.gz FHLQQUUVEXXSCM-SNVBAGLBSA-N 1 1 343.320 4.410 20 10 EICDMO CN(C)c1ccc(/C=C/CN[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC001198900701 1054292830 /nfs/dbraw/zinc/29/28/30/1054292830.db2.gz KFPZWPXOVOHIDU-YVSHKSEASA-N 1 1 349.522 4.193 20 10 EICDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC000858010362 1054394581 /nfs/dbraw/zinc/39/45/81/1054394581.db2.gz HMJFFTOADAFAJH-LJQANCHMSA-N 1 1 338.451 4.016 20 10 EICDMO Cc1cnn(CC[N@@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)c1 ZINC000776004668 1054439793 /nfs/dbraw/zinc/43/97/93/1054439793.db2.gz UNXRDJCBHONPQN-SFHVURJKSA-N 1 1 335.451 4.161 20 10 EICDMO C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000858490530 1054499349 /nfs/dbraw/zinc/49/93/49/1054499349.db2.gz JUZDEMCKRHVVGQ-VXGBXAGGSA-N 1 1 331.287 4.082 20 10 EICDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C)ccc2O)cc1OC ZINC000124674252 1054591027 /nfs/dbraw/zinc/59/10/27/1054591027.db2.gz GLDFWLWBLVVTKE-KRWDZBQOSA-N 1 1 327.424 4.055 20 10 EICDMO C[C@H]([NH2+]Cc1coc(-c2ccccc2F)n1)c1ccc(N(C)C)cc1 ZINC000859258724 1054653312 /nfs/dbraw/zinc/65/33/12/1054653312.db2.gz RSCLKNLLCFNODH-AWEZNQCLSA-N 1 1 339.414 4.398 20 10 EICDMO C[C@@H]([NH2+]Cc1coc(-c2ccccc2F)n1)c1ccc(N(C)C)cc1 ZINC000859258725 1054654103 /nfs/dbraw/zinc/65/41/03/1054654103.db2.gz RSCLKNLLCFNODH-CQSZACIVSA-N 1 1 339.414 4.398 20 10 EICDMO COc1ccc(C[NH2+][C@@H](c2cccc(F)c2)c2ccccn2)cc1C ZINC001201777905 1054917501 /nfs/dbraw/zinc/91/75/01/1054917501.db2.gz NYCUIQFWUATFJT-NRFANRHFSA-N 1 1 336.410 4.417 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C(C)(C)c1ccccc1 ZINC000877507725 1055069262 /nfs/dbraw/zinc/06/92/62/1055069262.db2.gz QUIOJJPQMVJTGO-UHFFFAOYSA-N 1 1 338.495 4.015 20 10 EICDMO Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)c(O)c1 ZINC000877523765 1055071721 /nfs/dbraw/zinc/07/17/21/1055071721.db2.gz NYCYNGMMNTXNAI-MRXNPFEDSA-N 1 1 327.428 4.078 20 10 EICDMO Cc1ccc(C[N@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)c(O)c1 ZINC000877523765 1055071729 /nfs/dbraw/zinc/07/17/29/1055071729.db2.gz NYCYNGMMNTXNAI-MRXNPFEDSA-N 1 1 327.428 4.078 20 10 EICDMO CC(C)([NH2+]Cc1ccc2c(c1)CCO2)c1nc2cc(Cl)ccc2o1 ZINC000877669188 1055105050 /nfs/dbraw/zinc/10/50/50/1055105050.db2.gz XLDCBAIWGHUUBL-UHFFFAOYSA-N 1 1 342.826 4.441 20 10 EICDMO CCOCc1cc(C[NH2+][C@@](C)(CC)c2nccs2)ccc1OC ZINC000172673015 1056631019 /nfs/dbraw/zinc/63/10/19/1056631019.db2.gz JBSDHADVOPGWKM-SFHVURJKSA-N 1 1 334.485 4.103 20 10 EICDMO C[C@H]([NH2+]Cc1ccccc1N1CCCCC1)c1ccc(F)cc1O ZINC000186501214 1056727435 /nfs/dbraw/zinc/72/74/35/1056727435.db2.gz LKOXSHKXHZLIAX-HNNXBMFYSA-N 1 1 328.431 4.372 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cc1C ZINC000742162878 1058542566 /nfs/dbraw/zinc/54/25/66/1058542566.db2.gz ODKZCDPDQCJIDQ-QRWLVFNGSA-N 1 1 329.415 4.110 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C[C@@H](O)c2cccc(Cl)c2)C2CC2)cc1 ZINC000743262365 1058906135 /nfs/dbraw/zinc/90/61/35/1058906135.db2.gz PXNKWNBUUFRCEJ-HXUWFJFHSA-N 1 1 344.886 4.104 20 10 EICDMO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(CC)cc(C(C)(C)C)c2O)C1 ZINC000743390627 1058973434 /nfs/dbraw/zinc/97/34/34/1058973434.db2.gz RXWSDAHHCFVNMX-SFHVURJKSA-N 1 1 346.559 4.416 20 10 EICDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc(CC)cc(C(C)(C)C)c2O)C1 ZINC000743390627 1058973461 /nfs/dbraw/zinc/97/34/61/1058973461.db2.gz RXWSDAHHCFVNMX-SFHVURJKSA-N 1 1 346.559 4.416 20 10 EICDMO CCC[N@H+](C)C[C@H]1CCN(Cc2cc(CC)cc(C(C)(C)C)c2O)C1 ZINC000743390626 1058975244 /nfs/dbraw/zinc/97/52/44/1058975244.db2.gz RXWSDAHHCFVNMX-GOSISDBHSA-N 1 1 346.559 4.416 20 10 EICDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2cc(CC)cc(C(C)(C)C)c2O)C1 ZINC000743390626 1058975267 /nfs/dbraw/zinc/97/52/67/1058975267.db2.gz RXWSDAHHCFVNMX-GOSISDBHSA-N 1 1 346.559 4.416 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H](O)c2ccc(C)cc2)cc1 ZINC000743839321 1059151375 /nfs/dbraw/zinc/15/13/75/1059151375.db2.gz DGABHQQHPKDKEM-NRFANRHFSA-N 1 1 326.484 4.007 20 10 EICDMO Cc1cc(C[N@@H+]2C[C@H](C(F)(F)F)O[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000744445039 1059510041 /nfs/dbraw/zinc/51/00/41/1059510041.db2.gz SISKXPILLOWNAO-SWLSCSKDSA-N 1 1 345.405 4.150 20 10 EICDMO Cc1cc(C[N@H+]2C[C@H](C(F)(F)F)O[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000744445039 1059510064 /nfs/dbraw/zinc/51/00/64/1059510064.db2.gz SISKXPILLOWNAO-SWLSCSKDSA-N 1 1 345.405 4.150 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000367490456 522719025 /nfs/dbraw/zinc/71/90/25/522719025.db2.gz OPWBUPHLMFLMAJ-IOASZLSFSA-N 1 1 343.298 4.367 20 10 EICDMO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1nc(-c2cccc(F)c2)no1 ZINC000237575137 1032232237 /nfs/dbraw/zinc/23/22/37/1032232237.db2.gz GANZMLCCBSAZNN-JTQLQIEISA-N 1 1 347.777 4.086 20 10 EICDMO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1O ZINC000310799480 1032522818 /nfs/dbraw/zinc/52/28/18/1032522818.db2.gz GKCCAZLLRIWOCX-DSKINZAPSA-N 1 1 338.495 4.344 20 10 EICDMO CC(C)c1ncc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000160171797 1018773253 /nfs/dbraw/zinc/77/32/53/1018773253.db2.gz WKMFSLNPBOVBKX-INIZCTEOSA-N 1 1 346.496 4.153 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@H+](CCc2cccc(F)c2)C2CC2)c1O ZINC001167429875 1022362820 /nfs/dbraw/zinc/36/28/20/1022362820.db2.gz NTHMPZYMUJIGFW-UHFFFAOYSA-N 1 1 345.389 4.080 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@@H+](CCc2cccc(F)c2)C2CC2)c1O ZINC001167429875 1022362824 /nfs/dbraw/zinc/36/28/24/1022362824.db2.gz NTHMPZYMUJIGFW-UHFFFAOYSA-N 1 1 345.389 4.080 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310905353 1022576875 /nfs/dbraw/zinc/57/68/75/1022576875.db2.gz BUFPZXDHOOSJSS-RYRKJORJSA-N 1 1 342.458 4.093 20 10 EICDMO C[NH+](C)C1(CNCc2ccc(N3CCCCC3)cc2)CCCCC1 ZINC000104863456 1022940134 /nfs/dbraw/zinc/94/01/34/1022940134.db2.gz RYONQVCEGCUWAR-UHFFFAOYSA-N 1 1 329.532 4.031 20 10 EICDMO C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000311208058 1023001916 /nfs/dbraw/zinc/00/19/16/1023001916.db2.gz NSJWNWNQGQRNPL-WMZOPIPTSA-N 1 1 342.458 4.094 20 10 EICDMO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000310807623 1023442164 /nfs/dbraw/zinc/44/21/64/1023442164.db2.gz HZTJGHJQKNHAIZ-HBFSDRIKSA-N 1 1 338.495 4.262 20 10 EICDMO CC[C@@H](c1ccccc1O)[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000377615234 1023633320 /nfs/dbraw/zinc/63/33/20/1023633320.db2.gz LHDJAQHDANKKKG-HOTGVXAUSA-N 1 1 327.428 4.331 20 10 EICDMO CC[C@@H](c1ccccc1O)[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000377615234 1023633326 /nfs/dbraw/zinc/63/33/26/1023633326.db2.gz LHDJAQHDANKKKG-HOTGVXAUSA-N 1 1 327.428 4.331 20 10 EICDMO Cc1cc(O)c(C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)cc1C(C)C ZINC000176118579 1024423055 /nfs/dbraw/zinc/42/30/55/1024423055.db2.gz ODXMLCFOYLLHOS-XMMPIXPASA-N 1 1 345.508 4.193 20 10 EICDMO C[C@H]([NH2+][C@H]1COc2c1cccc2Cl)c1cc(F)cc(F)c1O ZINC000756759800 1024435618 /nfs/dbraw/zinc/43/56/18/1024435618.db2.gz ZFIVCLYJUKJXPI-RTHLEPHNSA-N 1 1 325.742 4.108 20 10 EICDMO CC[C@H]([NH2+]Cc1ccc(-c2cc[nH]n2)cc1)c1ccc(F)cc1O ZINC000367753946 1024805393 /nfs/dbraw/zinc/80/53/93/1024805393.db2.gz LUYSHKWFAVXUHI-KRWDZBQOSA-N 1 1 325.387 4.162 20 10 EICDMO COc1ccc(N2CCC([N@@H+](C)CCCCC(F)(F)F)CC2)cc1 ZINC000366707970 1025838117 /nfs/dbraw/zinc/83/81/17/1025838117.db2.gz JHDVTMMOJKXSPQ-UHFFFAOYSA-N 1 1 344.421 4.328 20 10 EICDMO CC[C@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccc(F)cc1O ZINC000796840206 1026364238 /nfs/dbraw/zinc/36/42/38/1026364238.db2.gz LQCLUAYYKCZBBM-HKUYNNGSSA-N 1 1 329.415 4.086 20 10 EICDMO COc1ccc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000108095810 1026793939 /nfs/dbraw/zinc/79/39/39/1026793939.db2.gz KQUYQTKZGUWPIW-UHFFFAOYSA-N 1 1 330.859 4.061 20 10 EICDMO C[N@@H+](Cc1ccc(F)c(OC(F)(F)F)c1)Cc1ccccc1O ZINC001143446334 1026981947 /nfs/dbraw/zinc/98/19/47/1026981947.db2.gz DCAXIQBLFOVBRY-UHFFFAOYSA-N 1 1 329.293 4.062 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1ccc(F)cc1O ZINC000281308223 1028501094 /nfs/dbraw/zinc/50/10/94/1028501094.db2.gz YZXVKGXWBWJLRI-ZJUUUORDSA-N 1 1 339.208 4.101 20 10 EICDMO CC[C@@H]([NH2+][C@@H]1CCCn2nc(C(C)C)nc21)c1ccc(N(C)C)cc1 ZINC000167977240 1029647224 /nfs/dbraw/zinc/64/72/24/1029647224.db2.gz YSFDFWLNHKJDAB-QZTJIDSGSA-N 1 1 341.503 4.043 20 10 EICDMO COc1ccccc1[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccccn1 ZINC000183631901 1030025767 /nfs/dbraw/zinc/02/57/67/1030025767.db2.gz GYFLZCDTLCKBHX-QVKFZJNVSA-N 1 1 334.419 4.236 20 10 EICDMO Cc1cc(Cl)cc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)c1O ZINC000184443303 1030061356 /nfs/dbraw/zinc/06/13/56/1030061356.db2.gz HJBUPJWAFHSNSC-UHFFFAOYSA-N 1 1 339.826 4.101 20 10 EICDMO C[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1ccc(F)cc1O ZINC000185857704 1030234723 /nfs/dbraw/zinc/23/47/23/1030234723.db2.gz ZPNVYPZPTZLFPA-LBPRGKRZSA-N 1 1 344.361 4.219 20 10 EICDMO CC[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ccc(F)cc1O ZINC000796665055 1031091838 /nfs/dbraw/zinc/09/18/38/1031091838.db2.gz CUZQKYZKSSJNQH-QZTJIDSGSA-N 1 1 346.446 4.392 20 10 EICDMO Oc1ccccc1C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000179583790 1031224114 /nfs/dbraw/zinc/22/41/14/1031224114.db2.gz ZBQLLBXTWMYRTH-OAHLLOKOSA-N 1 1 328.481 4.107 20 10 EICDMO CC[C@@H]([NH2+][C@@H]1CCOc2c(OC)cccc21)c1ccc(F)cc1O ZINC000375842853 1031344095 /nfs/dbraw/zinc/34/40/95/1031344095.db2.gz WXFBOCYCSOCZFL-HZPDHXFCSA-N 1 1 331.387 4.104 20 10 EICDMO CC[C@H]([NH2+][C@@H]1CCOc2c(OC)cccc21)c1ccc(F)cc1O ZINC000375842855 1031345355 /nfs/dbraw/zinc/34/53/55/1031345355.db2.gz WXFBOCYCSOCZFL-JKSUJKDBSA-N 1 1 331.387 4.104 20 10 EICDMO CC[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccccc1)c1ccc(F)cc1O ZINC000375894740 1031450601 /nfs/dbraw/zinc/45/06/01/1031450601.db2.gz GIGKBOCRSAWERB-UYAOXDASSA-N 1 1 339.414 4.095 20 10 EICDMO CCc1cc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000749797621 1034747793 /nfs/dbraw/zinc/74/77/93/1034747793.db2.gz BTEZPMDUZITZSZ-SJORKVTESA-N 1 1 331.500 4.111 20 10 EICDMO C[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000158186384 1035659985 /nfs/dbraw/zinc/65/99/85/1035659985.db2.gz IJMADYJRUCMWKC-MOPGFXCFSA-N 1 1 329.532 4.059 20 10 EICDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(Cl)cc(OC)c2O)cc1 ZINC000761184768 1035898801 /nfs/dbraw/zinc/89/88/01/1035898801.db2.gz PHPQIXBTWVRHRS-KRWDZBQOSA-N 1 1 347.842 4.400 20 10 EICDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c1O ZINC000761193467 1036005885 /nfs/dbraw/zinc/00/58/85/1036005885.db2.gz FHLZDFRRVYWWON-ZDUSSCGKSA-N 1 1 335.806 4.183 20 10 EICDMO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2c2ccccc2OC)c1O ZINC000164279292 1036027211 /nfs/dbraw/zinc/02/72/11/1036027211.db2.gz KRXWHAJRSKPFQA-KRWDZBQOSA-N 1 1 327.424 4.055 20 10 EICDMO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)c2ccc(N(C)CC)cc2)o1 ZINC000165226104 1036727713 /nfs/dbraw/zinc/72/77/13/1036727713.db2.gz LAIXUIPHKCUZEB-HNAYVOBHSA-N 1 1 330.472 4.336 20 10 EICDMO Cc1ccc([C@@H](C)[NH2+][C@@H](c2nccn2C)c2ccc(F)cc2)c(O)c1 ZINC000273401618 1037452584 /nfs/dbraw/zinc/45/25/84/1037452584.db2.gz NEKCRMYIEVBKTA-AUUYWEPGSA-N 1 1 339.414 4.013 20 10 EICDMO Cc1cccc(C[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1O ZINC000273485668 1037480427 /nfs/dbraw/zinc/48/04/27/1037480427.db2.gz MHAWRXVOBKACGO-OALUTQOASA-N 1 1 329.415 4.192 20 10 EICDMO COc1ccc(-c2nc(C[N@H+](C)Cc3ccccc3O)cs2)cc1 ZINC000171927037 1037765415 /nfs/dbraw/zinc/76/54/15/1037765415.db2.gz XENMSPWMESIVPA-UHFFFAOYSA-N 1 1 340.448 4.156 20 10 EICDMO COc1ccc(-c2nc(C[N@@H+](C)Cc3ccccc3O)cs2)cc1 ZINC000171927037 1037765433 /nfs/dbraw/zinc/76/54/33/1037765433.db2.gz XENMSPWMESIVPA-UHFFFAOYSA-N 1 1 340.448 4.156 20 10 EICDMO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(N2CCCCC2)c(F)c1 ZINC000295919091 1042538410 /nfs/dbraw/zinc/53/84/10/1042538410.db2.gz JTHSLFSLEGMABO-UXDRXVOSSA-N 1 1 345.506 4.092 20 10 EICDMO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(N2CCCCC2)c(F)c1 ZINC000295919091 1042538416 /nfs/dbraw/zinc/53/84/16/1042538416.db2.gz JTHSLFSLEGMABO-UXDRXVOSSA-N 1 1 345.506 4.092 20 10 EICDMO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(N2CCCCC2)c(F)c1 ZINC000295919091 1042538420 /nfs/dbraw/zinc/53/84/20/1042538420.db2.gz JTHSLFSLEGMABO-UXDRXVOSSA-N 1 1 345.506 4.092 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)cc1C(C)C ZINC000766031443 1043072042 /nfs/dbraw/zinc/07/20/42/1043072042.db2.gz UTQRATYKDGPXSP-KRWDZBQOSA-N 1 1 347.499 4.378 20 10 EICDMO CC(C)[N@H+](Cc1noc2c1CCCC2)Cc1ccc(N(C)C)cc1 ZINC000731279791 1043724553 /nfs/dbraw/zinc/72/45/53/1043724553.db2.gz QMPKVEZVTLTMIJ-UHFFFAOYSA-N 1 1 327.472 4.030 20 10 EICDMO CC(C)[N@@H+](Cc1noc2c1CCCC2)Cc1ccc(N(C)C)cc1 ZINC000731279791 1043724567 /nfs/dbraw/zinc/72/45/67/1043724567.db2.gz QMPKVEZVTLTMIJ-UHFFFAOYSA-N 1 1 327.472 4.030 20 10 EICDMO C[N@@H+](CCc1ccccc1F)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000731661523 1043812022 /nfs/dbraw/zinc/81/20/22/1043812022.db2.gz PMPBTVIXERFZQV-UHFFFAOYSA-N 1 1 331.431 4.209 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2cc3ccccc3[nH]c2=O)C2CC2)cc1 ZINC000732408652 1043920032 /nfs/dbraw/zinc/92/00/32/1043920032.db2.gz WEHGESHPPQBPIV-UHFFFAOYSA-N 1 1 347.462 4.171 20 10 EICDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C)c(C)cc2O)c(OC)c1 ZINC000732486169 1043924254 /nfs/dbraw/zinc/92/42/54/1043924254.db2.gz YRVYXPOFCYMYNC-IBGZPJMESA-N 1 1 341.451 4.363 20 10 EICDMO CC[C@H]1CCCC[N@@H+]1CCNCc1ccc(N2CCCCC2)cc1 ZINC000733329932 1044194075 /nfs/dbraw/zinc/19/40/75/1044194075.db2.gz GTCYJYYPCQWZNL-FQEVSTJZSA-N 1 1 329.532 4.031 20 10 EICDMO CC[C@H]1CCCC[N@H+]1CCNCc1ccc(N2CCCCC2)cc1 ZINC000733329932 1044194083 /nfs/dbraw/zinc/19/40/83/1044194083.db2.gz GTCYJYYPCQWZNL-FQEVSTJZSA-N 1 1 329.532 4.031 20 10 EICDMO C[C@H](C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 ZINC000735079031 1044737319 /nfs/dbraw/zinc/73/73/19/1044737319.db2.gz ZNNNHILZRXHCBD-YLJYHZDGSA-N 1 1 325.452 4.177 20 10 EICDMO Cn1c2ccccc2nc1CC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000736310620 1044922985 /nfs/dbraw/zinc/92/29/85/1044922985.db2.gz VGGIERIQQOCCJY-UHFFFAOYSA-N 1 1 349.478 4.266 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CCCc3cccnc32)c1 ZINC000922877302 1045012285 /nfs/dbraw/zinc/01/22/85/1045012285.db2.gz JMFOGCFEXCOBPN-OAHLLOKOSA-N 1 1 347.256 4.025 20 10 EICDMO COC[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC000739872739 1045169538 /nfs/dbraw/zinc/16/95/38/1045169538.db2.gz ZKRQXRMTWSYIOX-HNNXBMFYSA-N 1 1 333.516 4.456 20 10 EICDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001168490069 1045229391 /nfs/dbraw/zinc/22/93/91/1045229391.db2.gz HEROVMOWTVRXSW-QGZVFWFLSA-N 1 1 326.459 4.489 20 10 EICDMO CCC(F)(F)C(C)(C)C[NH2+]Cc1cccc(Br)c1O ZINC000699674301 1045330774 /nfs/dbraw/zinc/33/07/74/1045330774.db2.gz BQEWKZFYMIHTKY-UHFFFAOYSA-N 1 1 336.220 4.316 20 10 EICDMO CC[C@H]([NH2+]C[C@@H](c1ccc(C)o1)N1CCCC1)c1ccc(F)cc1O ZINC000796738138 1045522441 /nfs/dbraw/zinc/52/24/41/1045522441.db2.gz GYGZMXHXDDQRNZ-ROUUACIJSA-N 1 1 346.446 4.311 20 10 EICDMO CC(C)OCc1ccccc1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790948647 1045630179 /nfs/dbraw/zinc/63/01/79/1045630179.db2.gz CQXKNIRVQBZYSM-UHFFFAOYSA-N 1 1 337.822 4.400 20 10 EICDMO C[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1cccc(C(F)(F)F)c1O ZINC000798183256 1045705739 /nfs/dbraw/zinc/70/57/39/1045705739.db2.gz MPFBPNWFZBQQSX-BMIGLBTASA-N 1 1 345.386 4.031 20 10 EICDMO COCc1ccc(C[N@@H+](Cc2ccccc2O)C2CCCCC2)o1 ZINC000768134743 1045723716 /nfs/dbraw/zinc/72/37/16/1045723716.db2.gz UEYNRDGJTNTKED-UHFFFAOYSA-N 1 1 329.440 4.467 20 10 EICDMO COc1cccc(C[N@@H+](Cc2ccccc2O)C2CCCCC2)c1O ZINC000768132692 1045724324 /nfs/dbraw/zinc/72/43/24/1045724324.db2.gz ILGRJEWWPRMIDN-UHFFFAOYSA-N 1 1 341.451 4.441 20 10 EICDMO Cc1ccc(O)c(C[N@@H+](Cc2ccccc2O)C2CCCCC2)n1 ZINC000768134861 1045724813 /nfs/dbraw/zinc/72/48/13/1045724813.db2.gz VRJYBRNLORDVQJ-UHFFFAOYSA-N 1 1 326.440 4.136 20 10 EICDMO CCCn1cc(C[N@@H+](Cc2ccccc2O)C2CCCCC2)cn1 ZINC000768132510 1045725037 /nfs/dbraw/zinc/72/50/37/1045725037.db2.gz GKPBBVFMUOBAJA-UHFFFAOYSA-N 1 1 327.472 4.334 20 10 EICDMO CCOc1ccc(C[N@H+]2CCCCC[C@H]2c2ccncc2)c(O)c1 ZINC000768138154 1045726670 /nfs/dbraw/zinc/72/66/70/1045726670.db2.gz PIFXCWPOGHENMN-IBGZPJMESA-N 1 1 326.440 4.303 20 10 EICDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2cc(C)ccc2O)c1 ZINC000768199147 1045741549 /nfs/dbraw/zinc/74/15/49/1045741549.db2.gz BZCYQMGYQDVKEX-SFHVURJKSA-N 1 1 327.424 4.055 20 10 EICDMO CCc1oc2ccccc2c1C[N@@H+](C)Cc1cccc(OC)c1O ZINC000768207302 1045743131 /nfs/dbraw/zinc/74/31/31/1045743131.db2.gz BHAFSUKVVGGLMA-UHFFFAOYSA-N 1 1 325.408 4.341 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cnc(C3CC3)s2)cc1 ZINC000768208577 1045744035 /nfs/dbraw/zinc/74/40/35/1045744035.db2.gz UIDUWJHAHXBDIP-UHFFFAOYSA-N 1 1 329.513 4.499 20 10 EICDMO Oc1ccc(Br)cc1C[N@@H+](Cc1cccs1)C1CC1 ZINC000768252269 1045764344 /nfs/dbraw/zinc/76/43/44/1045764344.db2.gz HUTHPPVMWVBHAN-UHFFFAOYSA-N 1 1 338.270 4.381 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2cnc(C3CC3)s2)C2CC2)cc1 ZINC000768258195 1045768000 /nfs/dbraw/zinc/76/80/00/1045768000.db2.gz TTYTZYUNPJAAIE-UHFFFAOYSA-N 1 1 327.497 4.251 20 10 EICDMO C[N@@H+](Cc1ccc(F)c(F)c1)Cc1cccc(Br)c1O ZINC000768261240 1045773756 /nfs/dbraw/zinc/77/37/56/1045773756.db2.gz AQFHUBDJSWJAGY-UHFFFAOYSA-N 1 1 342.183 4.065 20 10 EICDMO C[N@H+](Cc1ccc(F)c(F)c1)Cc1cccc(Br)c1O ZINC000768261240 1045773737 /nfs/dbraw/zinc/77/37/37/1045773737.db2.gz AQFHUBDJSWJAGY-UHFFFAOYSA-N 1 1 342.183 4.065 20 10 EICDMO CC(C)[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(F)c1 ZINC000768330528 1045790323 /nfs/dbraw/zinc/79/03/23/1045790323.db2.gz UVBDQDCIEWRKNK-UHFFFAOYSA-N 1 1 342.458 4.073 20 10 EICDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2c2ccc(C)c(C)c2)cc1OC ZINC000768443075 1045807404 /nfs/dbraw/zinc/80/74/04/1045807404.db2.gz OQUIOWYSTXRRPY-SFHVURJKSA-N 1 1 341.451 4.363 20 10 EICDMO CCC[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1F ZINC000768486399 1045814391 /nfs/dbraw/zinc/81/43/91/1045814391.db2.gz JFNSTRLBFONOJW-UHFFFAOYSA-N 1 1 342.458 4.075 20 10 EICDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccccc1O ZINC000768872761 1045850630 /nfs/dbraw/zinc/85/06/30/1045850630.db2.gz IJIVDIFANAZJBC-UHFFFAOYSA-N 1 1 338.363 4.192 20 10 EICDMO C[N@@H+](Cc1cnccn1)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000769153808 1045885581 /nfs/dbraw/zinc/88/55/81/1045885581.db2.gz POBJBQZBCQKGSU-UHFFFAOYSA-N 1 1 341.499 4.409 20 10 EICDMO CC[N@@H+](Cc1cc(Br)cc(OC)c1O)[C@@H](C)C(C)C ZINC000769153865 1045885878 /nfs/dbraw/zinc/88/58/78/1045885878.db2.gz QRLYOOYAJKBELC-NSHDSACASA-N 1 1 330.266 4.030 20 10 EICDMO CCC[N@@H+](Cc1cnc(C)n1-c1ccccc1)Cc1ccccc1O ZINC000769201539 1045894133 /nfs/dbraw/zinc/89/41/33/1045894133.db2.gz WGDGHZRENLQROP-UHFFFAOYSA-N 1 1 335.451 4.299 20 10 EICDMO Cc1cc(O)c(C[N@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)cc1C ZINC000769245780 1045901757 /nfs/dbraw/zinc/90/17/57/1045901757.db2.gz WVGSJZUBDPHKED-TZIWHRDSSA-N 1 1 325.452 4.097 20 10 EICDMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2OC)c(O)c1 ZINC000769319681 1045921353 /nfs/dbraw/zinc/92/13/53/1045921353.db2.gz WMFYQXYRQCWHPO-GOSISDBHSA-N 1 1 327.424 4.137 20 10 EICDMO Cn1ccc(C[N@@H+](Cc2c(O)ccc3ccccc32)C2CCCC2)n1 ZINC000769383801 1045942688 /nfs/dbraw/zinc/94/26/88/1045942688.db2.gz JZWRXTJSVLAKPJ-UHFFFAOYSA-N 1 1 335.451 4.224 20 10 EICDMO COc1cccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)c1OC ZINC000769384978 1045946112 /nfs/dbraw/zinc/94/61/12/1045946112.db2.gz RVFBLSZNRPKSQE-UHFFFAOYSA-N 1 1 341.451 4.354 20 10 EICDMO CCOc1ccc(O)c(C[N@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC000769426760 1045958777 /nfs/dbraw/zinc/95/87/77/1045958777.db2.gz WKNSZZHNKNWYCJ-IBGZPJMESA-N 1 1 329.465 4.081 20 10 EICDMO COc1cccc(O)c1C[N@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000769462878 1045983624 /nfs/dbraw/zinc/98/36/24/1045983624.db2.gz LHHVMUFHBALTSW-LIRRHRJNSA-N 1 1 329.465 4.079 20 10 EICDMO O=C(C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000769493862 1045993655 /nfs/dbraw/zinc/99/36/55/1045993655.db2.gz XWZVCKJQFDMSJX-KRWDZBQOSA-N 1 1 329.827 4.283 20 10 EICDMO CCOc1ccc(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)c(O)c1 ZINC000769559701 1046023070 /nfs/dbraw/zinc/02/30/70/1046023070.db2.gz QIXCMLCBAXQHHE-AWEZNQCLSA-N 1 1 333.378 4.059 20 10 EICDMO COc1ccc(N(CCCn2cc[nH+]c2C)Cc2cccs2)cc1 ZINC000769658797 1046042355 /nfs/dbraw/zinc/04/23/55/1046042355.db2.gz DKYJJINZIUUGBP-UHFFFAOYSA-N 1 1 341.480 4.359 20 10 EICDMO Cc1ncc(C[N@@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)s1 ZINC000792788607 1046065087 /nfs/dbraw/zinc/06/50/87/1046065087.db2.gz PRQZNIXXEVNHIP-UHFFFAOYSA-N 1 1 343.418 4.168 20 10 EICDMO Cc1ncc(C[N@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)s1 ZINC000792788607 1046065108 /nfs/dbraw/zinc/06/51/08/1046065108.db2.gz PRQZNIXXEVNHIP-UHFFFAOYSA-N 1 1 343.418 4.168 20 10 EICDMO CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(F)cc1O ZINC000796696567 1046112359 /nfs/dbraw/zinc/11/23/59/1046112359.db2.gz SPOSDJMJAUUNEI-SJCJKPOMSA-N 1 1 342.414 4.218 20 10 EICDMO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793063142 1046132776 /nfs/dbraw/zinc/13/27/76/1046132776.db2.gz XVRZAVDEXFFIOX-CYBMUJFWSA-N 1 1 337.389 4.359 20 10 EICDMO CCCN(CCC)c1ccc(C[N@H+]2CCS[C@H]3COCC[C@H]32)cc1 ZINC000770279176 1046168170 /nfs/dbraw/zinc/16/81/70/1046168170.db2.gz GFIQKRNJDHDJJP-UXHICEINSA-N 1 1 348.556 4.019 20 10 EICDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000770320658 1046179117 /nfs/dbraw/zinc/17/91/17/1046179117.db2.gz DVLJVJIUOIELQN-WOJBJXKFSA-N 1 1 342.483 4.214 20 10 EICDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000793232305 1046179473 /nfs/dbraw/zinc/17/94/73/1046179473.db2.gz VKVDNABUTOFPLE-PBHICJAKSA-N 1 1 326.406 4.450 20 10 EICDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000770372676 1046185946 /nfs/dbraw/zinc/18/59/46/1046185946.db2.gz FCANCUDTVJDELP-VQTJNVASSA-N 1 1 337.463 4.308 20 10 EICDMO CC(C)(C)c1ncc(C[N@@H+](Cc2ccccc2O)C2CCCC2)cn1 ZINC000793580403 1046299748 /nfs/dbraw/zinc/29/97/48/1046299748.db2.gz QEDICFFTPVHVQR-UHFFFAOYSA-N 1 1 339.483 4.425 20 10 EICDMO CC1(C)C[N@@H+](Cc2c(O)ccc3ccccc32)C[C@H](C(F)(F)F)O1 ZINC000793707719 1046327380 /nfs/dbraw/zinc/32/73/80/1046327380.db2.gz VZBLGMFVMWAEDF-MRXNPFEDSA-N 1 1 339.357 4.087 20 10 EICDMO Cc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC000771935372 1046528361 /nfs/dbraw/zinc/52/83/61/1046528361.db2.gz PXMNVBULPFJCPX-UHFFFAOYSA-N 1 1 334.467 4.083 20 10 EICDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2cc3ccccc3o2)c1 ZINC000786576748 1046849204 /nfs/dbraw/zinc/84/92/04/1046849204.db2.gz WDVIAWKQDALXFQ-OLZOCXBDSA-N 1 1 339.391 4.337 20 10 EICDMO COC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)c1ccc(Cl)cc1 ZINC000786955807 1046884173 /nfs/dbraw/zinc/88/41/73/1046884173.db2.gz DPVRXYZYRPGWJZ-HWPZZCPQSA-N 1 1 341.785 4.362 20 10 EICDMO Oc1ccccc1C[N@H+](Cc1ccc2cnccc2c1)C[C@@H]1CCCO1 ZINC000787047607 1046899022 /nfs/dbraw/zinc/89/90/22/1046899022.db2.gz AQWDCBHIAVDXMD-NRFANRHFSA-N 1 1 348.446 4.122 20 10 EICDMO Cc1nc(F)ccc1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000787041203 1046899277 /nfs/dbraw/zinc/89/92/77/1046899277.db2.gz JXGBVCSUWKTLSA-UHFFFAOYSA-N 1 1 326.371 4.030 20 10 EICDMO Cc1nc(F)ccc1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000787041203 1046899270 /nfs/dbraw/zinc/89/92/70/1046899270.db2.gz JXGBVCSUWKTLSA-UHFFFAOYSA-N 1 1 326.371 4.030 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2scnc2C2CC2)cc1 ZINC000787069887 1046902198 /nfs/dbraw/zinc/90/21/98/1046902198.db2.gz ZRIUZZFVGBGTMC-UHFFFAOYSA-N 1 1 329.513 4.499 20 10 EICDMO Oc1c(Br)cccc1C[NH2+]Cc1cc(Cl)cs1 ZINC000787290498 1046973501 /nfs/dbraw/zinc/97/35/01/1046973501.db2.gz NGMXBFIHCMOKOB-UHFFFAOYSA-N 1 1 332.650 4.159 20 10 EICDMO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCCC2(F)F)c1O ZINC000806180351 1047190730 /nfs/dbraw/zinc/19/07/30/1047190730.db2.gz NEFLPDATDFFJOA-CABZTGNLSA-N 1 1 334.204 4.302 20 10 EICDMO Clc1cccc2c1[C@H]([NH2+]Cc1ccc(N3CCCC3)cc1)COC2 ZINC000788527763 1047228022 /nfs/dbraw/zinc/22/80/22/1047228022.db2.gz ZHRJPCUUQWHNAN-LJQANCHMSA-N 1 1 342.870 4.301 20 10 EICDMO COC[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)c1ccc(C)o1 ZINC000788607743 1047246233 /nfs/dbraw/zinc/24/62/33/1047246233.db2.gz CGYKRLVOLWOJJV-FZMZJTMJSA-N 1 1 343.345 4.351 20 10 EICDMO CC(C)C[C@H](CCO)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788615194 1047249608 /nfs/dbraw/zinc/24/96/08/1047249608.db2.gz YDHSVVCJZTUUJM-OLZOCXBDSA-N 1 1 333.394 4.106 20 10 EICDMO C[C@@H]([NH2+]CCc1ccc(Cl)nc1)c1cccc(C(F)(F)F)c1O ZINC000788632298 1047255667 /nfs/dbraw/zinc/25/56/67/1047255667.db2.gz PNJDZARJSTZCOB-SNVBAGLBSA-N 1 1 344.764 4.353 20 10 EICDMO COc1ccc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)c(F)c1 ZINC000788671122 1047267420 /nfs/dbraw/zinc/26/74/20/1047267420.db2.gz WIDHZICGKICZEE-JTQLQIEISA-N 1 1 343.320 4.410 20 10 EICDMO COc1cnccc1[C@@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788756169 1047287826 /nfs/dbraw/zinc/28/78/26/1047287826.db2.gz HRVJYPBYDZFGAP-GHMZBOCLSA-N 1 1 340.345 4.226 20 10 EICDMO COCC[C@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)c1ccco1 ZINC000788735332 1047296086 /nfs/dbraw/zinc/29/60/86/1047296086.db2.gz PNCDUFKLJATXPA-RISCZKNCSA-N 1 1 343.345 4.432 20 10 EICDMO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC000788796731 1047303412 /nfs/dbraw/zinc/30/34/12/1047303412.db2.gz IBGDKFRDFORILG-AZUAARDMSA-N 1 1 338.495 4.182 20 10 EICDMO CC(C)(C)c1n[nH]cc1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000154706208 1047415412 /nfs/dbraw/zinc/41/54/12/1047415412.db2.gz RFFNPIGOVPXCAE-UHFFFAOYSA-N 1 1 339.439 4.208 20 10 EICDMO CC(C)(C)c1n[nH]cc1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000154706208 1047415425 /nfs/dbraw/zinc/41/54/25/1047415425.db2.gz RFFNPIGOVPXCAE-UHFFFAOYSA-N 1 1 339.439 4.208 20 10 EICDMO Oc1ccc2oc3c(c2c1C[N@H+]1CCC[C@H]1[C@H]1CCCO1)CCCC3 ZINC000789510618 1047435679 /nfs/dbraw/zinc/43/56/79/1047435679.db2.gz BBSFUVRJGCWPHG-QFBILLFUSA-N 1 1 341.451 4.161 20 10 EICDMO Oc1cc(F)c(F)cc1C[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC001142512602 1047452985 /nfs/dbraw/zinc/45/29/85/1047452985.db2.gz FRCTUPOXPHOROF-UHFFFAOYSA-N 1 1 327.374 4.231 20 10 EICDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000918764129 1047648721 /nfs/dbraw/zinc/64/87/21/1047648721.db2.gz WYODZWUKFBACGU-MRXNPFEDSA-N 1 1 344.886 4.370 20 10 EICDMO Cc1cc(C)c(O)c(C[N@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)c1 ZINC000808241209 1047853601 /nfs/dbraw/zinc/85/36/01/1047853601.db2.gz QREPHZZYGWZKIG-QGZVFWFLSA-N 1 1 341.455 4.387 20 10 EICDMO COc1c(O)c(C[N@H+](C(C)C)[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000814169533 1047872714 /nfs/dbraw/zinc/87/27/14/1047872714.db2.gz JELINXSDHXECPS-AWEZNQCLSA-N 1 1 344.411 4.281 20 10 EICDMO COc1c(O)c(C[N@@H+](C(C)C)[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000814169533 1047872719 /nfs/dbraw/zinc/87/27/19/1047872719.db2.gz JELINXSDHXECPS-AWEZNQCLSA-N 1 1 344.411 4.281 20 10 EICDMO COCc1csc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000824556228 1047883998 /nfs/dbraw/zinc/88/39/98/1047883998.db2.gz MTJXPDCWIPOOTH-UHFFFAOYSA-N 1 1 330.497 4.125 20 10 EICDMO Cc1cc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)c(C)n1-c1cccc(C)c1 ZINC000825017570 1048018480 /nfs/dbraw/zinc/01/84/80/1048018480.db2.gz UZROKAISWUPQGO-YWZLYKJASA-N 1 1 334.467 4.395 20 10 EICDMO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)[nH]1 ZINC000808716321 1048063683 /nfs/dbraw/zinc/06/36/83/1048063683.db2.gz MMWRWDIHUPMYKO-DLOVCJGASA-N 1 1 336.867 4.397 20 10 EICDMO COc1cncc(C[N@@H+](Cc2ccccc2O)C2CCCCC2)c1 ZINC000808727313 1048075117 /nfs/dbraw/zinc/07/51/17/1048075117.db2.gz WXPCVUSPPVEGLE-UHFFFAOYSA-N 1 1 326.440 4.131 20 10 EICDMO CCCC[N@@H+](Cc1ccnc(Br)c1)Cc1ccccc1O ZINC000815112597 1048326120 /nfs/dbraw/zinc/32/61/20/1048326120.db2.gz VKXDPBBRCOBJNH-UHFFFAOYSA-N 1 1 349.272 4.352 20 10 EICDMO C[N@@H+](Cc1cccnc1)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809635590 1048446562 /nfs/dbraw/zinc/44/65/62/1048446562.db2.gz INWOTAQGYWKPDH-UHFFFAOYSA-N 1 1 343.474 4.276 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000809728629 1048475785 /nfs/dbraw/zinc/47/57/85/1048475785.db2.gz DETIQTBOZQIMPE-INIZCTEOSA-N 1 1 347.256 4.195 20 10 EICDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000809728629 1048475796 /nfs/dbraw/zinc/47/57/96/1048475796.db2.gz DETIQTBOZQIMPE-INIZCTEOSA-N 1 1 347.256 4.195 20 10 EICDMO C[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000809716000 1048497295 /nfs/dbraw/zinc/49/72/95/1048497295.db2.gz PGELWEISHJWUKH-AVRDEDQJSA-N 1 1 336.479 4.106 20 10 EICDMO COc1cccc(CC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)c1 ZINC000815560899 1048509277 /nfs/dbraw/zinc/50/92/77/1048509277.db2.gz TYJJJFAHLHDYKS-GFCCVEGCSA-N 1 1 339.357 4.313 20 10 EICDMO Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815585522 1048523409 /nfs/dbraw/zinc/52/34/09/1048523409.db2.gz JYSKPLGQRXCFNU-WBMJQRKESA-N 1 1 339.357 4.104 20 10 EICDMO CC(C)n1ccc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)n1 ZINC000815583044 1048523818 /nfs/dbraw/zinc/52/38/18/1048523818.db2.gz VRKWAEBAQQRVQJ-LLVKDONJSA-N 1 1 327.350 4.039 20 10 EICDMO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cccc(C(F)(F)F)c1O ZINC000815600057 1048532185 /nfs/dbraw/zinc/53/21/85/1048532185.db2.gz KMRQSCZQXDMYIT-XOPPTJLZSA-N 1 1 341.373 4.019 20 10 EICDMO CCOc1ccc(C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c(O)c1 ZINC000809789883 1048534635 /nfs/dbraw/zinc/53/46/35/1048534635.db2.gz LNNKJOHWQLMZKC-OKILXGFUSA-N 1 1 331.378 4.344 20 10 EICDMO C[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)c1cncc(F)c1 ZINC000815615751 1048541822 /nfs/dbraw/zinc/54/18/22/1048541822.db2.gz WPYAWJFYLVNAMW-UWVGGRQHSA-N 1 1 328.309 4.357 20 10 EICDMO C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1cccc(C(F)(F)F)c1O ZINC000815621976 1048548994 /nfs/dbraw/zinc/54/89/94/1048548994.db2.gz IOHLGGQWZTWNEH-GFCCVEGCSA-N 1 1 343.389 4.004 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)[C@@H](O)c1ccccc1 ZINC000815626863 1048550985 /nfs/dbraw/zinc/55/09/85/1048550985.db2.gz NTGAOYWEVPNBSO-HWWQOWPSSA-N 1 1 339.357 4.184 20 10 EICDMO Oc1cc(F)c(Br)cc1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001144306934 1048584071 /nfs/dbraw/zinc/58/40/71/1048584071.db2.gz XCEYDZSGAFZEEV-IINYFYTJSA-N 1 1 328.225 4.058 20 10 EICDMO Oc1cc(F)c(Br)cc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001144306934 1048584082 /nfs/dbraw/zinc/58/40/82/1048584082.db2.gz XCEYDZSGAFZEEV-IINYFYTJSA-N 1 1 328.225 4.058 20 10 EICDMO CCOc1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2OC)c(O)c1 ZINC000768208154 1048630549 /nfs/dbraw/zinc/63/05/49/1048630549.db2.gz SWFRAVRVOFFCFU-UHFFFAOYSA-N 1 1 335.831 4.085 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)c1O ZINC000748051414 1048724704 /nfs/dbraw/zinc/72/47/04/1048724704.db2.gz UZBJOHPYUPTGDZ-SNVBAGLBSA-N 1 1 337.341 4.205 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@H+](C)[C@H](C)c2ccc(F)c(F)c2)c1O ZINC000748051414 1048724715 /nfs/dbraw/zinc/72/47/15/1048724715.db2.gz UZBJOHPYUPTGDZ-SNVBAGLBSA-N 1 1 337.341 4.205 20 10 EICDMO CC[C@]1(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)OCCc2ccccc21 ZINC000810242374 1048725094 /nfs/dbraw/zinc/72/50/94/1048725094.db2.gz AJKPCIUJVMBOSK-ZUOKHONESA-N 1 1 347.405 4.199 20 10 EICDMO CSC1(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])CC[NH+](C)CC1 ZINC000810252958 1048730018 /nfs/dbraw/zinc/73/00/18/1048730018.db2.gz XKYSTRQFHZYWMI-OAHLLOKOSA-N 1 1 344.524 4.023 20 10 EICDMO COc1cc(C[N@@H+](C)Cc2ccc3ccccc3c2O)cc(OC)c1 ZINC000816489033 1048814568 /nfs/dbraw/zinc/81/45/68/1048814568.db2.gz KKKPXNPRAILSBD-UHFFFAOYSA-N 1 1 337.419 4.195 20 10 EICDMO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816529767 1048824463 /nfs/dbraw/zinc/82/44/63/1048824463.db2.gz HBHWKROLKJJWTP-SNVBAGLBSA-N 1 1 339.794 4.053 20 10 EICDMO COc1cccc([C@H](C)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)c1O ZINC000846161874 1048826988 /nfs/dbraw/zinc/82/69/88/1048826988.db2.gz GKFRKKXADVPWES-LBPRGKRZSA-N 1 1 337.423 4.338 20 10 EICDMO CN(C)Cc1cc(C[NH2+]Cc2ccc3ccccc3c2O)ccc1F ZINC000816552030 1048832093 /nfs/dbraw/zinc/83/20/93/1048832093.db2.gz YVPNKASDQUXFSS-UHFFFAOYSA-N 1 1 338.426 4.036 20 10 EICDMO [O-]c1c(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)ccc2ccccc21 ZINC000816555542 1048834445 /nfs/dbraw/zinc/83/44/45/1048834445.db2.gz IYERUYBOTBSIMC-UHFFFAOYSA-N 1 1 338.495 4.432 20 10 EICDMO CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816560766 1048835780 /nfs/dbraw/zinc/83/57/80/1048835780.db2.gz ZURIGXPQDNQEEH-DYZYQPBXSA-N 1 1 341.785 4.190 20 10 EICDMO CCC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H](O)c1ccccc1 ZINC000816594641 1048840746 /nfs/dbraw/zinc/84/07/46/1048840746.db2.gz KPLSCRFRJSDASW-SJLPKXTDSA-N 1 1 337.822 4.177 20 10 EICDMO OCC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccc(Cl)cc1 ZINC000816612316 1048844342 /nfs/dbraw/zinc/84/43/42/1048844342.db2.gz LYHBMKMHPGOPOC-HNNXBMFYSA-N 1 1 344.213 4.051 20 10 EICDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc2scnc2c1 ZINC001144744448 1048850079 /nfs/dbraw/zinc/85/00/79/1048850079.db2.gz VTDNNHAPMMBWGL-UHFFFAOYSA-N 1 1 325.481 4.384 20 10 EICDMO CCOc1cccc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1O ZINC000816659346 1048850074 /nfs/dbraw/zinc/85/00/74/1048850074.db2.gz JZRDMFVLUWFWQP-QGZVFWFLSA-N 1 1 347.842 4.098 20 10 EICDMO CCN(C)c1ccc(C[N@H+]2Cc3ccc(OC)cc3C3(CC3)C2)cc1 ZINC001170837098 1048850325 /nfs/dbraw/zinc/85/03/25/1048850325.db2.gz UPSZQFOLZPLIJJ-UHFFFAOYSA-N 1 1 336.479 4.199 20 10 EICDMO CN(C)c1ccc(C[N@@H+](Cc2cnc(Cl)c(F)c2)C2CC2)cc1 ZINC000846775885 1048893314 /nfs/dbraw/zinc/89/33/14/1048893314.db2.gz DYHXMDUQALFAHP-UHFFFAOYSA-N 1 1 333.838 4.105 20 10 EICDMO C[C@@H]([NH2+][C@H](CN)c1ccc2ccccc2c1)c1ccc(N(C)C)cc1 ZINC000817970666 1049072687 /nfs/dbraw/zinc/07/26/87/1049072687.db2.gz BRCXHIJMGVLIHG-OPAMFIHVSA-N 1 1 333.479 4.256 20 10 EICDMO C[C@H](NC[C@@]1(C)CCC[NH2+]C1)c1ccc(N2CCCCCC2)cc1 ZINC000817965014 1049073376 /nfs/dbraw/zinc/07/33/76/1049073376.db2.gz MTNYEEAHGBFJLI-RXVVDRJESA-N 1 1 329.532 4.107 20 10 EICDMO Cc1cc(F)c(C[NH2+]Cc2ccc(N3CCSCC3)cc2)c(F)c1 ZINC000818180098 1049099556 /nfs/dbraw/zinc/09/95/56/1049099556.db2.gz RGMXKYFOKIUFLO-UHFFFAOYSA-N 1 1 348.462 4.116 20 10 EICDMO Oc1ccc2ccccc2c1C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000811512381 1049124278 /nfs/dbraw/zinc/12/42/78/1049124278.db2.gz CJTPUNOUVIZNSD-IBGZPJMESA-N 1 1 344.458 4.182 20 10 EICDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCC1(F)F ZINC000811513492 1049126864 /nfs/dbraw/zinc/12/68/64/1049126864.db2.gz ZVXYONJAFVIBHQ-NSHDSACASA-N 1 1 336.348 4.249 20 10 EICDMO C[N@@H+](Cc1cc2c(cc1O)CCC2)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812296604 1049433941 /nfs/dbraw/zinc/43/39/41/1049433941.db2.gz DJORGHPMCUAGOS-CVEARBPZSA-N 1 1 327.390 4.434 20 10 EICDMO COCCCCc1ccc[nH+]c1NCc1cc(Cl)cc(C)c1O ZINC000812809209 1049598471 /nfs/dbraw/zinc/59/84/71/1049598471.db2.gz SHJOSTPLQMIDCQ-UHFFFAOYSA-N 1 1 334.847 4.330 20 10 EICDMO COc1cc(C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)c(O)cc1C ZINC000773252170 1049673088 /nfs/dbraw/zinc/67/30/88/1049673088.db2.gz OBRUSDVDWZBREM-UHFFFAOYSA-N 1 1 344.842 4.047 20 10 EICDMO CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCc3cc(F)c(F)c(F)c3C2)cc1 ZINC001171545741 1049735912 /nfs/dbraw/zinc/73/59/12/1049735912.db2.gz DRZYUXFUCJIXSE-MRXNPFEDSA-N 1 1 348.412 4.159 20 10 EICDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCc3ccc(C)cc32)c1 ZINC000813882923 1049831213 /nfs/dbraw/zinc/83/12/13/1049831213.db2.gz AMJGUINOJWNBSW-IFXJQAMLSA-N 1 1 339.435 4.215 20 10 EICDMO Oc1ccccc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172060505 1049842341 /nfs/dbraw/zinc/84/23/41/1049842341.db2.gz ATEKAMYXYASFHP-WKCHPHFGSA-N 1 1 336.479 4.068 20 10 EICDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)C1CCC2(CCOCC2)CC1 ZINC001173048995 1050274040 /nfs/dbraw/zinc/27/40/40/1050274040.db2.gz HMKMYHCRNBCWKA-UHFFFAOYSA-N 1 1 330.516 4.314 20 10 EICDMO C[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)Oc1cccc(Cl)c1 ZINC001177929094 1050337345 /nfs/dbraw/zinc/33/73/45/1050337345.db2.gz RYUOWFBYZYDPDY-SNVBAGLBSA-N 1 1 344.213 4.395 20 10 EICDMO COc1ccc(C[C@H](C)C[NH2+]Cc2c(O)ccc(Cl)c2F)cc1 ZINC001178373419 1050446944 /nfs/dbraw/zinc/44/69/44/1050446944.db2.gz IQIHVSLVDGCSBY-LBPRGKRZSA-N 1 1 337.822 4.162 20 10 EICDMO CCc1ccc2c(c1)[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)CCO2 ZINC001178445140 1050460489 /nfs/dbraw/zinc/46/04/89/1050460489.db2.gz QINAFEWJCZDVOX-OAHLLOKOSA-N 1 1 335.806 4.361 20 10 EICDMO CCN(C)c1ccc(C[N@@H+](C)[C@H]2CCCc3nc(C)sc32)cc1 ZINC000773770908 1050555979 /nfs/dbraw/zinc/55/59/79/1050555979.db2.gz FLVBKXGEEJNRFQ-SFHVURJKSA-N 1 1 329.513 4.417 20 10 EICDMO C[C@H](Cc1cccs1)[N@@H+](C)Cc1ccc(Br)cc1O ZINC001180064894 1050872913 /nfs/dbraw/zinc/87/29/13/1050872913.db2.gz ZFUNCIPRVYINDZ-LLVKDONJSA-N 1 1 340.286 4.279 20 10 EICDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cccc3[nH]c(=O)oc32)cc1 ZINC001180364195 1050983910 /nfs/dbraw/zinc/98/39/10/1050983910.db2.gz PUMKRVMXSXXOAK-UHFFFAOYSA-N 1 1 339.439 4.012 20 10 EICDMO Cc1cccc([C@H]2CC[N@H+](Cc3cc(F)c(N(C)C)cc3F)C2)c1 ZINC001180818485 1051090793 /nfs/dbraw/zinc/09/07/93/1051090793.db2.gz BFMKNZBXTYSASX-INIZCTEOSA-N 1 1 330.422 4.329 20 10 EICDMO COc1cc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC001181088489 1051145682 /nfs/dbraw/zinc/14/56/82/1051145682.db2.gz PGGNNIRRVZVDGN-QGZVFWFLSA-N 1 1 347.499 4.089 20 10 EICDMO COC(=O)c1c(C[N@@H+](C)[C@H]2CCC(C)(C)C2)c2cc(F)ccc2n1C ZINC001181399740 1051227100 /nfs/dbraw/zinc/22/71/00/1051227100.db2.gz LYMOGEDFJQECOL-AWEZNQCLSA-N 1 1 346.446 4.115 20 10 EICDMO Cc1cc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)ccc1N(C)C ZINC001190827225 1051286117 /nfs/dbraw/zinc/28/61/17/1051286117.db2.gz NCNFCIXUXJNXJD-OAQYLSRUSA-N 1 1 343.559 4.149 20 10 EICDMO Oc1cc(F)c(F)cc1C[NH2+]CCCCc1ccc(Cl)s1 ZINC001181729608 1051287644 /nfs/dbraw/zinc/28/76/44/1051287644.db2.gz OCFVHEIBHPMMEJ-UHFFFAOYSA-N 1 1 331.815 4.498 20 10 EICDMO CC[N@@H+](CCCC(C)(F)F)Cc1cc(Br)ccc1O ZINC001191267791 1051411560 /nfs/dbraw/zinc/41/15/60/1051411560.db2.gz HZIBJUTYOMOCSH-UHFFFAOYSA-N 1 1 336.220 4.412 20 10 EICDMO Oc1cc(Cl)ccc1C[NH2+]CCc1cccc(Br)c1 ZINC001182238739 1051444396 /nfs/dbraw/zinc/44/43/96/1051444396.db2.gz PADGTYCJVMHQFI-UHFFFAOYSA-N 1 1 340.648 4.140 20 10 EICDMO C[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1cc(Cl)c(Cl)cc1O ZINC000774142561 1051463038 /nfs/dbraw/zinc/46/30/38/1051463038.db2.gz IEZGHZQXJODUBV-JGVFFNPUSA-N 1 1 346.176 4.317 20 10 EICDMO CCC[N@@H+](Cc1cc(Br)cc(OC)c1O)[C@@H](C)CC ZINC001204336185 1051510742 /nfs/dbraw/zinc/51/07/42/1051510742.db2.gz FPVJVCVSRQKAAW-NSHDSACASA-N 1 1 330.266 4.174 20 10 EICDMO C[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1cc(Cl)c(Cl)cc1O ZINC000774245979 1051520313 /nfs/dbraw/zinc/52/03/13/1051520313.db2.gz WSKSMWYGTBAVCB-PSLIRLAXSA-N 1 1 344.213 4.222 20 10 EICDMO C[C@H]([NH2+]CCCc1nccs1)c1cc(Cl)c(Cl)cc1O ZINC000774256538 1051528400 /nfs/dbraw/zinc/52/84/00/1051528400.db2.gz YUODMFFSXCSBLA-VIFPVBQESA-N 1 1 331.268 4.439 20 10 EICDMO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cc(Cl)c(Cl)cc1O ZINC000774271285 1051541063 /nfs/dbraw/zinc/54/10/63/1051541063.db2.gz IOLAIGPHQILJRY-HRZBSETHSA-N 1 1 342.266 4.307 20 10 EICDMO CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)c(Cl)c1[O-] ZINC000775489109 1051566685 /nfs/dbraw/zinc/56/66/85/1051566685.db2.gz SIXMRJQQZIKBBV-KKUMJFAQSA-N 1 1 343.298 4.367 20 10 EICDMO CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)c(Cl)c1[O-] ZINC000775489109 1051566699 /nfs/dbraw/zinc/56/66/99/1051566699.db2.gz SIXMRJQQZIKBBV-KKUMJFAQSA-N 1 1 343.298 4.367 20 10 EICDMO CO[C@H](CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O)C(F)(F)F ZINC000774376049 1051567051 /nfs/dbraw/zinc/56/70/51/1051567051.db2.gz XAHFNWOJLPUKEE-JMCQJSRRSA-N 1 1 346.176 4.317 20 10 EICDMO CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)c(Cl)c1[O-] ZINC000775489113 1051567176 /nfs/dbraw/zinc/56/71/76/1051567176.db2.gz SIXMRJQQZIKBBV-SOUVJXGZSA-N 1 1 343.298 4.367 20 10 EICDMO CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(Cl)c(Cl)c1[O-] ZINC000775489113 1051567192 /nfs/dbraw/zinc/56/71/92/1051567192.db2.gz SIXMRJQQZIKBBV-SOUVJXGZSA-N 1 1 343.298 4.367 20 10 EICDMO C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1cc(Cl)c(Cl)cc1O ZINC000774356169 1051574288 /nfs/dbraw/zinc/57/42/88/1051574288.db2.gz NUOZDDIVEJZOEX-SDBXPKJASA-N 1 1 332.252 4.145 20 10 EICDMO CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000775490222 1051584806 /nfs/dbraw/zinc/58/48/06/1051584806.db2.gz AIRBYUJCEYQYKC-DOMZBBRYSA-N 1 1 345.314 4.472 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC001182460628 1051592582 /nfs/dbraw/zinc/59/25/82/1051592582.db2.gz AKTMAVRDQWEUAF-VIFPVBQESA-N 1 1 325.733 4.349 20 10 EICDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC001182460628 1051592596 /nfs/dbraw/zinc/59/25/96/1051592596.db2.gz AKTMAVRDQWEUAF-VIFPVBQESA-N 1 1 325.733 4.349 20 10 EICDMO COc1ccc(C[N@H+]2CCC[C@@H](C3CCCCC3)C2)c(O)c1OC ZINC001183058640 1051781557 /nfs/dbraw/zinc/78/15/57/1051781557.db2.gz GTZSLUBIMYMXOJ-MRXNPFEDSA-N 1 1 333.472 4.202 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@@H+]2Cc3ccccc3C(C)(C)C2)c1O ZINC001192939782 1051841191 /nfs/dbraw/zinc/84/11/91/1051841191.db2.gz RTZOZSQGOXKRHE-UHFFFAOYSA-N 1 1 327.399 4.027 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@H+]2Cc3ccccc3C(C)(C)C2)c1O ZINC001192939782 1051841194 /nfs/dbraw/zinc/84/11/94/1051841194.db2.gz RTZOZSQGOXKRHE-UHFFFAOYSA-N 1 1 327.399 4.027 20 10 EICDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000774639950 1051853492 /nfs/dbraw/zinc/85/34/92/1051853492.db2.gz NRHPHIJRZYYYRE-AWEZNQCLSA-N 1 1 331.412 4.053 20 10 EICDMO Cc1cc(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)ccc1N(C)C ZINC001176021404 1051878491 /nfs/dbraw/zinc/87/84/91/1051878491.db2.gz PFLLKYUUNMUVCQ-INIZCTEOSA-N 1 1 330.422 4.329 20 10 EICDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC001183798519 1051901196 /nfs/dbraw/zinc/90/11/96/1051901196.db2.gz FPCNPAUOPDCJRG-CWDCEQMOSA-N 1 1 342.380 4.132 20 10 EICDMO Oc1cccc(F)c1C[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC001183920250 1051928558 /nfs/dbraw/zinc/92/85/58/1051928558.db2.gz WEEACFOEDFXZGH-UHFFFAOYSA-N 1 1 337.394 4.400 20 10 EICDMO Oc1cccc2c1[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)N3Cc1ccccc1)CC2 ZINC000297933877 1052106325 /nfs/dbraw/zinc/10/63/25/1052106325.db2.gz XUIMLBSYNRNHPM-VTHDOGFWSA-N 1 1 348.490 4.165 20 10 EICDMO COc1c(O)c(C[N@H+](C)[C@H](C)c2ccc(C)cc2C)ccc1[N+](=O)[O-] ZINC000774834241 1052176571 /nfs/dbraw/zinc/17/65/71/1052176571.db2.gz DYEKGGZSRSOCSF-CQSZACIVSA-N 1 1 344.411 4.119 20 10 EICDMO COc1c(O)c(C[N@@H+](C)[C@H](C)c2ccc(C)cc2C)ccc1[N+](=O)[O-] ZINC000774834241 1052176575 /nfs/dbraw/zinc/17/65/75/1052176575.db2.gz DYEKGGZSRSOCSF-CQSZACIVSA-N 1 1 344.411 4.119 20 10 EICDMO COc1c(O)c(C[N@H+]([C@H](C)c2ccccc2)C2CC2)ccc1[N+](=O)[O-] ZINC000774835390 1052178100 /nfs/dbraw/zinc/17/81/00/1052178100.db2.gz KVTLARWLPQXANS-CYBMUJFWSA-N 1 1 342.395 4.035 20 10 EICDMO COc1c(O)c(C[N@@H+]([C@H](C)c2ccccc2)C2CC2)ccc1[N+](=O)[O-] ZINC000774835390 1052178104 /nfs/dbraw/zinc/17/81/04/1052178104.db2.gz KVTLARWLPQXANS-CYBMUJFWSA-N 1 1 342.395 4.035 20 10 EICDMO C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc2ccccc2c1[O-] ZINC000184936943 1052320350 /nfs/dbraw/zinc/32/03/50/1052320350.db2.gz JTPHRLAXKZVAHH-INIZCTEOSA-N 1 1 334.463 4.458 20 10 EICDMO C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cc(F)ccc1[O-] ZINC000185241703 1052551171 /nfs/dbraw/zinc/55/11/71/1052551171.db2.gz FGORLXKWZIEOIZ-CQSZACIVSA-N 1 1 348.487 4.156 20 10 EICDMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1ccc(-n2cccn2)cc1 ZINC000185611412 1052658217 /nfs/dbraw/zinc/65/82/17/1052658217.db2.gz IKHOXOFFYHGTGI-ZIAGYGMSSA-N 1 1 325.387 4.129 20 10 EICDMO CC[N@@H+](Cc1ccc(C)nc1C)Cc1cc(Br)ccc1O ZINC000775610011 1053090888 /nfs/dbraw/zinc/09/08/88/1053090888.db2.gz IVWYFTZGPUBHPO-UHFFFAOYSA-N 1 1 349.272 4.189 20 10 EICDMO Cc1cc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)ccc1N(C)C ZINC001194764507 1053097404 /nfs/dbraw/zinc/09/74/04/1053097404.db2.gz LUHDHCXHYSTPRR-QFIPXVFZSA-N 1 1 336.479 4.031 20 10 EICDMO COc1ccc(O)c(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000775633260 1053254147 /nfs/dbraw/zinc/25/41/47/1053254147.db2.gz GVTYSQIGVABYGP-UHFFFAOYSA-N 1 1 325.330 4.052 20 10 EICDMO C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1cc(Cl)c(Cl)cc1O ZINC000850535667 1053299332 /nfs/dbraw/zinc/29/93/32/1053299332.db2.gz ZBKASHXRRFJUGQ-VIFPVBQESA-N 1 1 340.254 4.161 20 10 EICDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc2c(c1)ncn2C ZINC000775650362 1053367203 /nfs/dbraw/zinc/36/72/03/1053367203.db2.gz BDBQCEAWFPOVOE-UHFFFAOYSA-N 1 1 336.483 4.050 20 10 EICDMO COc1ccc(O)c(C[N@@H+](Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)c1 ZINC000775650372 1053368144 /nfs/dbraw/zinc/36/81/44/1053368144.db2.gz YYIGCAPLNDPTMU-UGSOOPFHSA-N 1 1 327.424 4.282 20 10 EICDMO CCOC(=O)C[N@H+](CCC1CCCCCC1)Cc1ccccc1O ZINC001195357797 1053380285 /nfs/dbraw/zinc/38/02/85/1053380285.db2.gz HRUULLPURANJII-UHFFFAOYSA-N 1 1 333.472 4.118 20 10 EICDMO CCOC(=O)C[N@@H+](CCC1CCCCCC1)Cc1ccccc1O ZINC001195357797 1053380294 /nfs/dbraw/zinc/38/02/94/1053380294.db2.gz HRUULLPURANJII-UHFFFAOYSA-N 1 1 333.472 4.118 20 10 EICDMO COc1cc(O)c(C[N@@H+](C)[C@@H](C)c2ccc(C)cc2C)cc1OC ZINC000775652791 1053398573 /nfs/dbraw/zinc/39/85/73/1053398573.db2.gz UIAXVIQWXFTGGG-HNNXBMFYSA-N 1 1 329.440 4.219 20 10 EICDMO C[N@@H+](Cc1ccc(Cl)c(Br)c1)Cc1ccccc1O ZINC000775655714 1053410933 /nfs/dbraw/zinc/41/09/33/1053410933.db2.gz KGQOFWISNINESF-UHFFFAOYSA-N 1 1 340.648 4.440 20 10 EICDMO CC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@@H](C)c1ccc(F)cc1 ZINC000775657916 1053417302 /nfs/dbraw/zinc/41/73/02/1053417302.db2.gz CJKJWYGAPLXMBZ-ZDUSSCGKSA-N 1 1 333.403 4.132 20 10 EICDMO CC(C)c1ccc(-c2noc(C[N@H+](C)Cc3ccccc3O)n2)cc1 ZINC000109771575 1053422510 /nfs/dbraw/zinc/42/25/10/1053422510.db2.gz BNBYSKCDGABDQY-UHFFFAOYSA-N 1 1 337.423 4.198 20 10 EICDMO CC(C)c1ccc(-c2noc(C[N@@H+](C)Cc3ccccc3O)n2)cc1 ZINC000109771575 1053422516 /nfs/dbraw/zinc/42/25/16/1053422516.db2.gz BNBYSKCDGABDQY-UHFFFAOYSA-N 1 1 337.423 4.198 20 10 EICDMO Cc1cccc(C[N@@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)c1O ZINC000775667484 1053458060 /nfs/dbraw/zinc/45/80/60/1053458060.db2.gz JETCMEMDOFYQQK-CTNGQTDRSA-N 1 1 325.452 4.300 20 10 EICDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cccc(C)c1O ZINC000775668549 1053459687 /nfs/dbraw/zinc/45/96/87/1053459687.db2.gz FIUDZTIHWNDXJN-IBGZPJMESA-N 1 1 335.451 4.407 20 10 EICDMO CCCN(CCC)c1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)cc1 ZINC000765278258 1053487473 /nfs/dbraw/zinc/48/74/73/1053487473.db2.gz CGGYOMFSZQWPFS-IBGZPJMESA-N 1 1 326.488 4.203 20 10 EICDMO COc1ccc(N(C)CC[N@@H+](C)Cc2c(C)cc(C)cc2C)cc1 ZINC001195789271 1053487808 /nfs/dbraw/zinc/48/78/08/1053487808.db2.gz LCLFUMXKDNZZRU-UHFFFAOYSA-N 1 1 326.484 4.189 20 10 EICDMO CCOc1ccc(O)c(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000120547426 1053496769 /nfs/dbraw/zinc/49/67/69/1053496769.db2.gz XNCNVYIBTIFTOD-KRWDZBQOSA-N 1 1 347.480 4.034 20 10 EICDMO CC[C@@H](CC(F)F)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000851841916 1053523685 /nfs/dbraw/zinc/52/36/85/1053523685.db2.gz ZUMARYQPOJIVDK-GOEBONIOSA-N 1 1 327.415 4.055 20 10 EICDMO Cc1ncc([C@H](C)[NH2+]Cc2cc(C)cc(Br)c2O)s1 ZINC000865703351 1053576403 /nfs/dbraw/zinc/57/64/03/1053576403.db2.gz XCZJOIWEZCTRFZ-VIFPVBQESA-N 1 1 341.274 4.079 20 10 EICDMO Oc1ccccc1C[N@@H+](Cc1nc2c(s1)CCC2)C1CCCC1 ZINC000775691262 1053615874 /nfs/dbraw/zinc/61/58/74/1053615874.db2.gz OSXPEKDWVLARGY-UHFFFAOYSA-N 1 1 328.481 4.282 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@@H+](Cc2ccccc2F)CC2CC2)c1O ZINC001196238828 1053625217 /nfs/dbraw/zinc/62/52/17/1053625217.db2.gz VMZQKASBKOVFTF-UHFFFAOYSA-N 1 1 345.389 4.285 20 10 EICDMO CC(=O)c1cc(F)cc(C[N@H+](Cc2ccccc2F)CC2CC2)c1O ZINC001196238828 1053625224 /nfs/dbraw/zinc/62/52/24/1053625224.db2.gz VMZQKASBKOVFTF-UHFFFAOYSA-N 1 1 345.389 4.285 20 10 EICDMO C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc2c(c1)CCCO2 ZINC000853094628 1053645295 /nfs/dbraw/zinc/64/52/95/1053645295.db2.gz HYFLOOUPIDIFMR-NSHDSACASA-N 1 1 335.806 4.361 20 10 EICDMO CC[C@H]1C[C@H](C[N@@H+](Cc2ccco2)Cc2ccccc2O)CCO1 ZINC000780754116 1053659130 /nfs/dbraw/zinc/65/91/30/1053659130.db2.gz MTSHSUAXACWXNJ-AEFFLSMTSA-N 1 1 329.440 4.193 20 10 EICDMO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2nc(C)c3ccccc3n2)cc1 ZINC000765633867 1053823096 /nfs/dbraw/zinc/82/30/96/1053823096.db2.gz LLCSBUKCBXGUMU-OAHLLOKOSA-N 1 1 334.467 4.245 20 10 EICDMO Cc1cc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)ccc1N1CCCCC1 ZINC001197177631 1053848637 /nfs/dbraw/zinc/84/86/37/1053848637.db2.gz SMWSTECTAJXVMM-FCEUIQTBSA-N 1 1 342.527 4.111 20 10 EICDMO Cc1cnc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)s1 ZINC000122868651 1054054322 /nfs/dbraw/zinc/05/43/22/1054054322.db2.gz SIRROFHQUQTRBN-AWEZNQCLSA-N 1 1 333.476 4.432 20 10 EICDMO Cc1cc(C[N@H+]2CCC[C@H]2COc2ccc(F)cc2)ccc1N(C)C ZINC001198174667 1054090061 /nfs/dbraw/zinc/09/00/61/1054090061.db2.gz WKOIWVHVGDBBMR-IBGZPJMESA-N 1 1 342.458 4.244 20 10 EICDMO C[C@H]([NH2+]Cc1ncc(-c2cccc(F)c2)o1)c1ccc(N(C)C)cc1 ZINC000775834497 1054105395 /nfs/dbraw/zinc/10/53/95/1054105395.db2.gz TYZDPIRFFYNIIF-AWEZNQCLSA-N 1 1 339.414 4.398 20 10 EICDMO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1nnc(-c2cccs2)o1 ZINC000775834190 1054120283 /nfs/dbraw/zinc/12/02/83/1054120283.db2.gz LGAWIWCFBNGUAP-STQMWFEESA-N 1 1 342.468 4.276 20 10 EICDMO CC(C)[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)N1CCCCCC1 ZINC001199160659 1054355862 /nfs/dbraw/zinc/35/58/62/1054355862.db2.gz DKZZROBZAZWGBD-HXUWFJFHSA-N 1 1 330.516 4.002 20 10 EICDMO CCN(CC)c1ccc(CNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC001199403290 1054407039 /nfs/dbraw/zinc/40/70/39/1054407039.db2.gz QBOUKIHVGXBIAR-UHFFFAOYSA-N 1 1 343.559 4.420 20 10 EICDMO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000872132575 1054408016 /nfs/dbraw/zinc/40/80/16/1054408016.db2.gz GPSBUARKOPCCDL-PSASIEDQSA-N 1 1 326.227 4.209 20 10 EICDMO COc1ccccc1C(C)(C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858123652 1054420373 /nfs/dbraw/zinc/42/03/73/1054420373.db2.gz HFGLQDMFXVNAEL-UHFFFAOYSA-N 1 1 334.410 4.064 20 10 EICDMO CCC[N@@H+](Cc1cc(OCC)ccc1O)[C@@H]1CCCc2cccnc21 ZINC000775998422 1054435392 /nfs/dbraw/zinc/43/53/92/1054435392.db2.gz VUPQLZXWSFHIRT-LJQANCHMSA-N 1 1 340.467 4.476 20 10 EICDMO C[C@H](c1ccccc1)[N@H+](Cc1ccccc1O)C[C@H]1CCCOC1 ZINC000776012353 1054445222 /nfs/dbraw/zinc/44/52/22/1054445222.db2.gz YSIGQOQAOMKUAE-QZTJIDSGSA-N 1 1 325.452 4.382 20 10 EICDMO Cc1cc(C[NH2+][C@H](C)c2cc3n(n2)CCC3)c(C)n1-c1ccccc1 ZINC000858541527 1054513453 /nfs/dbraw/zinc/51/34/53/1054513453.db2.gz BGQSULCDHSVFGE-MRXNPFEDSA-N 1 1 334.467 4.088 20 10 EICDMO COc1cc(C[N@@H+](C)Cc2ccc(C)cn2)c(O)c(C(C)(C)C)c1 ZINC000825671883 1054521904 /nfs/dbraw/zinc/52/19/04/1054521904.db2.gz RLDJTXNZNWVWMT-UHFFFAOYSA-N 1 1 328.456 4.034 20 10 EICDMO COC1CCN(c2ccc(C[N@H+]3C[C@@H]4CCCC[C@@]43C)cc2)CC1 ZINC000860047611 1054763278 /nfs/dbraw/zinc/76/32/78/1054763278.db2.gz FGRIRFQDNUSGNI-RXVVDRJESA-N 1 1 328.500 4.066 20 10 EICDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cccc(Cl)n1 ZINC000075611465 1054814747 /nfs/dbraw/zinc/81/47/47/1054814747.db2.gz LDCBJKUXRUBJOM-UHFFFAOYSA-N 1 1 329.875 4.357 20 10 EICDMO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(Br)cc1O ZINC000825935147 1055024207 /nfs/dbraw/zinc/02/42/07/1055024207.db2.gz NWHKJDPYCIZDQM-HNNXBMFYSA-N 1 1 335.245 4.133 20 10 EICDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862326513 1055048944 /nfs/dbraw/zinc/04/89/44/1055048944.db2.gz PHNJHGWHDYWCGU-LRDDRELGSA-N 1 1 347.256 4.133 20 10 EICDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]2CCCCC2(F)F)c1 ZINC001202546770 1055196427 /nfs/dbraw/zinc/19/64/27/1055196427.db2.gz PAUDLHAZTIGCPG-LBPRGKRZSA-N 1 1 348.231 4.378 20 10 EICDMO C[C@H](N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765875244 1056040378 /nfs/dbraw/zinc/04/03/78/1056040378.db2.gz YRDKJZGUSKONEY-RXVVDRJESA-N 1 1 341.543 4.202 20 10 EICDMO C[C@H](N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765875244 1056040383 /nfs/dbraw/zinc/04/03/83/1056040383.db2.gz YRDKJZGUSKONEY-RXVVDRJESA-N 1 1 341.543 4.202 20 10 EICDMO CC[N@@H+](Cc1ccccc1O)[C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168664430 1056508551 /nfs/dbraw/zinc/50/85/51/1056508551.db2.gz GTBUIIRVUKFWMR-GHTZIAJQSA-N 1 1 341.451 4.143 20 10 EICDMO Oc1cccc(Cl)c1C[NH2+]Cc1c(F)cccc1OC(F)F ZINC000751991089 1058515901 /nfs/dbraw/zinc/51/59/01/1058515901.db2.gz MEUKXVPSIXUUAA-UHFFFAOYSA-N 1 1 331.721 4.076 20 10 EICDMO Cc1cc(O)c(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)cc1C ZINC000742165261 1058525293 /nfs/dbraw/zinc/52/52/93/1058525293.db2.gz JEJQHBXMIRSBRP-DYESRHJHSA-N 1 1 325.452 4.279 20 10 EICDMO Cc1ccccc1[C@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)[C@@H](C)CO1 ZINC000742167806 1058529265 /nfs/dbraw/zinc/52/92/65/1058529265.db2.gz JBGAQWJYQCMHNI-KSFYIVLOSA-N 1 1 348.446 4.211 20 10 EICDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](CSc3ccccc3)C1)CCC2 ZINC000743382170 1058963821 /nfs/dbraw/zinc/96/38/21/1058963821.db2.gz DLJMTZTUYITVBH-INIZCTEOSA-N 1 1 339.504 4.495 20 10 EICDMO C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CC[N@@H+]1Cc1ccccc1 ZINC000379652390 1059768688 /nfs/dbraw/zinc/76/86/88/1059768688.db2.gz WRSXMKYWXXSVTR-YJBOKZPZSA-N 1 1 344.886 4.188 20 10 EICDMO C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CC[N@H+]1Cc1ccccc1 ZINC000379652390 1059768716 /nfs/dbraw/zinc/76/87/16/1059768716.db2.gz WRSXMKYWXXSVTR-YJBOKZPZSA-N 1 1 344.886 4.188 20 10 EICDMO CCCC[N@H+](Cc1ccccc1O)C[C@H](O)c1cc(C)cc(C)c1 ZINC001169753928 1060940686 /nfs/dbraw/zinc/94/06/86/1060940686.db2.gz DNGJXNMOVRMBFP-NRFANRHFSA-N 1 1 327.468 4.345 20 10 EICDMO